466	466	931	0:SP3_SP3_SPD5	C[6]	C[6]	Si[5,5]	5:4:4:1:	4:4:1:1:	4:4:3:2:2:	Si[5,5]-5:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[5]-4:N[5]-3:O[5]-2:O[5]-2:	C[6](Si[5,5]N[5]2O[5]2)(C[6]C[6]HH)2(H)	C[6](C[6]Si[5,5]C[6]H)(C[6]C[6]HH)(H)2	Si[5,5](C[6]C[6]2H)(N[5]N[5]CC)(N[5]N[5]C)(O[5]C[5])2	C[6](Si[5,5]N[5]2O[5]2)(C[6]C[6]HH)2(H){2|C<3>,2|N<2>,4|C<4>,4|H<1>}	C[6](C[6]Si[5,5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|N<4>,2|O<2>,4|H<1>}	Si[5,5](C[6]C[6]2H)(N[5]N[5]CC)(N[5]N[5]C)(O[5]C[5])2{4|C<4>,4|H<1>}	112.6805	4.243	2	112.6805	18.006	2	112.6805	18.006	2	112.6805	18.006	2	112.6805	18.006	2	112.6805	18.006	2
466	466	932	6:SP3_SP3_SP3	C[6]	C[6]	O[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:O[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(O[6]C[6]HH)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2	O[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(O[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	110.3117	0.641	3	110.3117	0.410	3	110.3117	0.410	3	110.3117	0.410	3	110.3117	0.410	3	110.3117	0.410	3
466	466	940	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	P	3:3:4:2:	4:4:2:1:	4:2:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:P-2:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[3x6]-4:P-2:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(PP)	C[6,6](C[3x6]C[6,6,6a]2P)(C[6,6]C[3x6]CH)(CN)(H)	P(C[3x6]C[6,6,6a]2C[6,6])(PC[6a])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(PP){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2P)(C[6,6]C[3x6]CH)(CN)(H){1|H<1>,4|C<3>}	P(C[3x6]C[6,6,6a]2C[6,6])(PC[6a])	112.6295	3.108	2	112.6295	9.658	2	112.6295	9.658	2	112.6295	9.658	2	112.6295	9.658	2	110.4958	3.105	9
466	466	940	0:SP3_SP-NON_SP3	C[6]	C[6]	P	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:P-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(PC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)(CCC)	C[6](C[6]C[6]HH)2(PC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)(CCC)	109.5197	1.131	3	109.5197	1.280	3	109.8861	0.579	7	109.8861	0.579	7	109.8861	0.579	7	110.4958	3.105	9
466	466	940	0:SP3_SP-NON_SP3	C[6]	C[6]	P	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:P-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(PC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)(CMgC)	C[6](C[6]C[6]HH)2(PC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)(CMgC)	110.1610	0.264	4	110.1610	0.070	4	109.8861	0.579	7	109.8861	0.579	7	109.8861	0.579	7	110.4958	3.105	9
466	466	941	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:2:	4:4:1:1:	3:4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5a]-3:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(NC[5a])	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[5a]C[5a,5a]C[5a,6a])(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(NC[5a]){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[5a]C[5a,5a]C[5a,6a])(C[3x6]C[6,6]3)	109.9643	3.846	3	109.9643	14.788	3	109.9643	14.788	3	109.9643	14.788	3	109.8894	9.576	123	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:2:	4:4:1:1:	4:2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-2:	C[3x6](C[6,6]C[3x6]HH)3(NC)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(CFe)	C[3x6](C[6,6]C[3x6]HH)3(NC){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(CFe)	109.1995	0.897	12	109.1995	0.804	12	109.0371	0.559	33	109.0221	1.745	39	109.8894	9.576	123	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:2:	4:4:1:1:	4:2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-2:	C[3x6](C[6,6]C[3x6]HH)3(NC)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(CGe[5])	C[3x6](C[6,6]C[3x6]HH)3(NC){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(CGe[5])	109.0203	1.264	3	109.0203	1.597	3	109.0371	0.559	33	109.0221	1.745	39	109.8894	9.576	123	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:2:	4:4:1:1:	4:2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-2:	C[3x6](C[6,6]C[3x6]HH)3(NC)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(CMo)	C[3x6](C[6,6]C[3x6]HH)3(NC){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(CMo)	108.9827	0.246	3	108.9827	0.061	3	109.0371	0.559	33	109.0221	1.745	39	109.8894	9.576	123	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:2:	4:4:1:1:	4:2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-2:	C[3x6](C[6,6]C[3x6]HH)3(NC)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(CNi)	C[3x6](C[6,6]C[3x6]HH)3(NC){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(CNi)	108.7143	0.425	3	108.7143	0.181	3	109.0371	0.559	33	109.0221	1.745	39	109.8894	9.576	123	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:2:	4:4:1:1:	4:2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-2:	C[3x6](C[6,6]C[3x6]HH)3(NC)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(CRh)	C[3x6](C[6,6]C[3x6]HH)3(NC){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(CRh)	108.6863	1.050	3	108.6863	1.103	3	109.0371	0.559	33	109.0221	1.745	39	109.8894	9.576	123	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:2:	4:4:1:1:	4:2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-2:	C[3x6](C[6,6]C[3x6]HH)3(NC)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(CRu)	C[3x6](C[6,6]C[3x6]HH)3(NC){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(CRu)	108.8623	0.888	3	108.8623	0.789	3	109.0371	0.559	33	109.0221	1.745	39	109.8894	9.576	123	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:2:	4:4:1:1:	4:2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-2:	C[3x6](C[6,6]C[3x6]HH)3(NC)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(CW)	C[3x6](C[6,6]C[3x6]HH)3(NC){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(CW)	109.1720	0.269	6	109.1720	0.073	6	109.0371	0.559	33	109.0221	1.745	39	109.8894	9.576	123	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:2:	4:4:1:1:	4:2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:N-2:	C[3x6](C[6,6]C[3x6]HH)3(NN)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(NN)	C[3x6](C[6,6]C[3x6]HH)3(NN){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(NN)	108.9393	3.111	6	108.9393	9.680	6	108.9393	9.680	6	109.0221	1.745	39	109.8894	9.576	123	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:2:	4:4:1:1:	4:3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:	C[3x6](C[6,6]C[3x6]HH)3(NC)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(CC[5a]H)	C[3x6](C[6,6]C[3x6]HH)3(NC){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(CC[5a]H)	110.2590	4.620	6	110.2590	21.340	6	110.1248	17.947	36	110.1382	16.139	48	109.8894	9.576	123	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:2:	4:4:1:1:	4:3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:	C[3x6](C[6,6]C[3x6]HH)3(NC)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(CC[6a]H)	C[3x6](C[6,6]C[3x6]HH)3(NC){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(CC[6a]H)	110.0979	4.240	30	110.0979	17.977	30	110.1248	17.947	36	110.1382	16.139	48	109.8894	9.576	123	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:2:	4:4:1:1:	4:3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[5]-3:	C[3x6](C[6,6]C[3x6]HH)3(NC[5])	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(C[5]C[5]O[5])	C[3x6](C[6,6]C[3x6]HH)3(NC[5]){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(C[5]C[5]O[5])	109.9283	3.776	3	109.9283	14.256	3	109.9283	14.256	3	110.1382	16.139	48	109.8894	9.576	123	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:2:	4:4:1:1:	4:3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:N-3:	C[3x6](C[6,6]C[3x6]HH)3(NN)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(NLaN)	C[3x6](C[6,6]C[3x6]HH)3(NN){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(NLaN)	109.9587	5.026	3	109.9587	25.265	3	110.0218	19.686	6	110.1382	16.139	48	109.8894	9.576	123	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:2:	4:4:1:1:	4:3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:N-3:	C[3x6](C[6,6]C[3x6]HH)3(NN)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(NNiN)	C[3x6](C[6,6]C[3x6]HH)3(NN){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(NNiN)	110.0850	4.893	3	110.0850	23.939	3	110.0218	19.686	6	110.1382	16.139	48	109.8894	9.576	123	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:2:	4:4:1:1:	4:3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:Si[5]-3:	C[3x6](C[6,6]C[3x6]HH)3(NSi[5])	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(Si[5]C[5]2)	C[3x6](C[6,6]C[3x6]HH)3(NSi[5]){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(Si[5]C[5]2)	110.7417	1.033	3	110.7417	1.066	3	110.7417	1.066	3	110.1382	16.139	48	109.8894	9.576	123	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:P-4:	C[3x6](C[6,6]C[3x6]HH)3(NP)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(PC[6a]2C)	C[3x6](C[6,6]C[3x6]HH)3(NP){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(PC[6a]2C)	110.8828	3.151	12	110.8828	9.928	12	110.9154	8.884	18	110.5458	8.351	33	109.8894	9.576	123	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:P-4:	C[3x6](C[6,6]C[3x6]HH)3(NP)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(PC[6a]3)	C[3x6](C[6,6]C[3x6]HH)3(NP){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(PC[6a]3)	110.9805	2.891	6	110.9805	8.358	6	110.9154	8.884	18	110.5458	8.351	33	109.8894	9.576	123	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:P[4]-4:	C[3x6](C[6,6]C[3x6]HH)3(NP[4])	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(P[4]N[4]2Se)	C[3x6](C[6,6]C[3x6]HH)3(NP[4]){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(P[4]N[4]2Se)	109.9687	3.773	3	109.9687	14.237	3	109.9687	14.237	3	110.5458	8.351	33	109.8894	9.576	123	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:S-4:	C[3x6](C[6,6]C[3x6]HH)3(NS)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(SC[6a]OO)	C[3x6](C[6,6]C[3x6]HH)3(NS){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(SC[6a]OO)	109.7307	2.964	9	109.7307	8.784	9	109.7307	8.784	9	110.5458	8.351	33	109.8894	9.576	123	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N	4:4:4:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:Si[4]-4:	C[3x6](C[6,6]C[3x6]HH)3(NSi[4])	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(Si[4]N[4]2N)	C[3x6](C[6,6]C[3x6]HH)3(NSi[4]){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(Si[4]N[4]2N)	111.3510	1.743	3	111.3510	3.040	3	111.3510	3.040	3	110.5458	8.351	33	109.8894	9.576	123	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[4x6]	C[4x6]	N	4:4:4:2:	4:4:4:1:	4:2:	C[4x6]-4:C[4x6]-4:C[6,6]-4:N-2:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:N-2:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(NN)	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H)	N(C[4x6]C[4x6]2C[6,6])(NN)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(NN){4|C<4>,7|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H){1|N<2>,4|C<4>,6|H<1>}	N(C[4x6]C[4x6]2C[6,6])(NN)	108.6400	3.789	2	108.4728	9.341	4	108.4728	9.341	4	108.4728	9.341	4	108.4728	9.341	4	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[4x6]	C[4x6]	N	4:4:4:2:	4:4:4:1:	4:2:	C[4x6]-4:C[4x6]-4:C[6,6]-4:N-2:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:N-2:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(NN)	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H)	N(C[4x6]C[4x6]2C[6,6])(NN)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(NN){4|C<4>,7|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H){4|C<4>,7|H<1>}	N(C[4x6]C[4x6]2C[6,6])(NN)	108.3055	3.682	2	108.4728	9.341	4	108.4728	9.341	4	108.4728	9.341	4	108.4728	9.341	4	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[4x6]	C[6,6]	N	4:4:4:2:	4:4:1:1:	4:2:	C[4x6]-4:C[4x6]-4:C[6,6]-4:N-2:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:N-2:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(NN)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2N)(H)2	N(C[4x6]C[4x6]2C[6,6])(NN)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(NN){4|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2N)(H)2{4|C<4>,6|H<1>}	N(C[4x6]C[4x6]2C[6,6])(NN)	110.0810	0.075	2	110.0810	0.006	2	110.0810	0.006	2	110.0810	0.006	2	110.0810	0.006	2	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6,6]	C[3x6]	N	4:4:2:1:	4:4:4:1:	4:3:	C[3x6]-4:C[3x6]-4:N-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[6,6]2H)2(NC)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H)	N(C[6,6]C[3x6]2H)(CC[6a]H)	C[6,6](C[3x6]C[6,6]2H)2(NC)(H){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H){3|C<4>,3|H<1>}	N(C[6,6]C[3x6]2H)(CC[6a]H)	109.6795	1.671	2	109.6795	2.792	2	109.6795	2.792	2	110.5623	2.551	4	108.3623	13.157	6	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6,6]	C[3x6]	N	4:4:2:1:	4:4:4:1:	4:3:	C[3x6]-4:C[6,6]-4:N-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(NC)(H)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H)	N(C[6,6]C[3x6]C[6,6]H)(CC[6a]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(NC)(H){2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H){1|C<4>,1|N<2>,5|H<1>}	N(C[6,6]C[3x6]C[6,6]H)(CC[6a]H)	111.4450	1.321	2	111.4450	1.745	2	111.4450	1.745	2	110.5623	2.551	4	108.3623	13.157	6	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6,6]	C[3x6]	N	4:4:4:2:	4:4:4:1:	4:2:	C[3x6]-4:C[6]-4:C[6]-4:N-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N-2:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(NN)	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2N)(H)	N(C[6,6]C[3x6]C[6]2)(NN)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(NN){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2N)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	N(C[6,6]C[3x6]C[6]2)(NN)	104.1290	0.000	1	103.9625	0.055	2	103.9625	0.055	2	103.9625	0.055	2	108.3623	13.157	6	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6,6]	C[3x6]	N	4:4:4:2:	4:4:4:1:	4:2:	C[3x6]-4:C[6]-4:C[6]-4:N-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N-2:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(NN)	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2N)(H)	N(C[6,6]C[3x6]C[6]2)(NN)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(NN){1|O<2>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2N)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	N(C[6,6]C[3x6]C[6]2)(NN)	103.7960	0.000	1	103.9625	0.055	2	103.9625	0.055	2	103.9625	0.055	2	108.3623	13.157	6	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6,6]	C[6,6]	N	4:3:3:2:	4:4:4:1:	4:2:	C[6,6]-4:C[6,6]-3:C[6]-3:N-2:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N-2:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(NN)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]N)(C[6]C[6]HH)(H)	N(C[6,6]C[6,6]2C[6])(NN)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(NN){1|C<3>,2|N<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]N)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	N(C[6,6]C[6,6]2C[6])(NN)	104.5660	0.000	1	104.5660	0.000	1	104.5660	0.000	1	104.5660	0.000	1	108.5417	3.121	8	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6,6]	C[6,6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[3x6]-4:C[6,6]-4:N-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(NC)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(H)2	N(C[6,6]C[3x6]C[6,6]H)(CC[6a]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(NC)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(H)2{1|N<2>,2|C<4>,4|H<1>}	N(C[6,6]C[3x6]C[6,6]H)(CC[6a]H)	109.8315	0.149	2	109.8315	0.022	2	109.8315	0.022	2	109.8357	0.011	3	108.5417	3.121	8	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6,6]	C[6,6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6,6]-4:N-2:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-3:	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NC)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(H)2	N(C[6,6]C[6,6]2H)(CC[6a]H)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NC)(H){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(H)2{3|H<1>,4|C<4>}	N(C[6,6]C[6,6]2H)(CC[6a]H)	109.8440	0.000	1	109.8440	0.000	1	109.8440	0.000	1	109.8357	0.011	3	108.5417	3.121	8	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6,6]	C[6,6]	N	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6,6]-4:N-2:H-1:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C-3:	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NC)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(CH3)(H)	N(C[6,6]C[6,6]2H)(CC[6a]H)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NC)(H){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(CH3)(H){3|C<4>,4|H<1>}	N(C[6,6]C[6,6]2H)(CC[6a]H)	108.7470	0.000	1	108.7470	0.000	1	108.7470	0.000	1	108.7470	0.000	1	108.5417	3.121	8	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6,6]	C[6,6]	N	4:4:2:2:	4:4:3:1:	4:3:	C[6,6]-4:C[6]-4:O[6]-2:N-2:	C[6,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C-3:	C[6,6](C[6,6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(O[6]C[6,6a])(NC)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]N)(C[6a]C[6a]2)(H)	N(C[6,6]C[6,6]C[6]O[6])(CC[6a]H)	C[6,6](C[6,6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(O[6]C[6,6a])(NC){1|N<4>,2|H<1>,7|C<3>}	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]N)(C[6a]C[6a]2)(H){1|C<4>,5|C<3>,5|H<1>}	N(C[6,6]C[6,6]C[6]O[6])(CC[6a]H)	108.9620	0.000	1	108.9620	0.000	1	108.9620	0.000	1	108.9620	0.000	1	108.5417	3.121	8	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6,6]	C[6,6]	N	4:4:4:2:	4:4:1:1:	4:3:	C[4,6,6]-4:C[6,6]-4:C-4:N-2:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-3:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CCHH)(NC)	C[6,6](C[6,6]C[4,6,6]CN)(C[6,6]C[4,6,6]HH)(H)2	N(C[6,6]C[4,6,6]C[6,6]C)(COO)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CCHH)(NC){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CN)(C[6,6]C[4,6,6]HH)(H)2{2|C<4>,2|H<1>}	N(C[6,6]C[4,6,6]C[6,6]C)(COO)	107.7110	0.000	1	107.7110	0.000	1	107.7110	0.000	1	107.7110	0.000	1	108.5417	3.121	8	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6,6]	C[6,6]	N	4:4:4:2:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:C[6]-4:N-2:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(NC)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(CH3)	N(C[6,6]C[6,6]C[6]2)(CCO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(NC){1|N<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	N(C[6,6]C[6,6]C[6]2)(CCO)	108.8410	0.000	1	108.8410	0.000	1	108.8410	0.000	1	108.8410	0.000	1	108.5417	3.121	8	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6,6]	C[6]	N	4:4:2:2:	4:4:3:1:	4:3:	C[6,6]-4:C[6]-4:O[6]-2:N-2:	C[6,6]-4:C[6]-4:C[6a]-3:H-1:	C[6,6]-4:C-3:	C[6,6](C[6,6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(O[6]C[6,6a])(NC)	C[6](C[6,6]C[6,6]O[6]N)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H)	N(C[6,6]C[6,6]C[6]O[6])(CC[6a]H)	C[6,6](C[6,6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(O[6]C[6,6a])(NC){1|N<4>,2|H<1>,7|C<3>}	C[6](C[6,6]C[6,6]O[6]N)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	N(C[6,6]C[6,6]C[6]O[6])(CC[6a]H)	107.2610	0.000	1	107.2610	0.000	1	107.2610	0.000	1	107.2610	0.000	1	108.4896	3.499	7	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6,6]	C[6]	N	4:4:4:2:	4:3:4:1:	4:2:	C[3x6]-4:C[6]-4:C[6]-4:N-2:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:N-2:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(NN)	C[6](C[6,6]C[3x6]C[6]N)(C[6]O[6]O)(CH3)(H)	N(C[6,6]C[3x6]C[6]2)(NN)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(NN){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]N)(C[6]O[6]O)(CH3)(H){3|C<4>,3|H<1>}	N(C[6,6]C[3x6]C[6]2)(NN)	106.1090	0.000	1	106.1090	0.000	1	106.1090	0.000	1	106.1090	0.000	1	108.4896	3.499	7	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6,6]	C[6]	N	4:4:4:2:	4:4:1:1:	4:2:	C[3x6]-4:C[6]-4:C[6]-4:N-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N-2:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(NN)	C[6](C[6,6]C[3x6]C[6]N)(C[6]C[6]HH)(H)2	N(C[6,6]C[3x6]C[6]2)(NN)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(NN){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]N)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	N(C[6,6]C[3x6]C[6]2)(NN)	111.8420	0.000	1	110.8155	2.107	2	110.8155	2.107	2	110.8155	2.107	2	108.4896	3.499	7	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6,6]	C[6]	N	4:4:4:2:	4:4:1:1:	4:2:	C[3x6]-4:C[6]-4:C[6]-4:N-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N-2:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(NN)	C[6](C[6,6]C[3x6]C[6]N)(C[6]C[6]HH)(H)2	N(C[6,6]C[3x6]C[6]2)(NN)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(NN){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]N)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	N(C[6,6]C[3x6]C[6]2)(NN)	109.7890	0.000	1	110.8155	2.107	2	110.8155	2.107	2	110.8155	2.107	2	108.4896	3.499	7	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6,6]	C[6]	N	4:4:4:2:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:C[6]-4:N-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(NC)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6,6]HH)(H)2	N(C[6,6]C[6,6]C[6]2)(CCO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(NC){1|N<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	N(C[6,6]C[6,6]C[6]2)(CCO)	107.6730	0.000	1	107.6730	0.000	1	108.1810	0.516	2	108.1810	0.516	2	108.4896	3.499	7	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6,6]	C[6]	N	4:4:4:2:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:C[6]-4:N-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(NC)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HN)(H)2	N(C[6,6]C[6,6]C[6]2)(CCO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(NC){1|N<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HN)(H)2{4|C<4>,4|H<1>}	N(C[6,6]C[6,6]C[6]2)(CCO)	108.6890	0.000	1	108.6890	0.000	1	108.1810	0.516	2	108.1810	0.516	2	108.4896	3.499	7	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6,6]	C[6]	N	4:4:4:2:	4:4:4:1:	4:2:	C[3x6]-4:C[6]-4:C[6]-4:N-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:N-2:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(NN)	C[6](C[6,6]C[3x6]C[6]N)(C[6]C[6]HH)(CH3)(H)	N(C[6,6]C[3x6]C[6]2)(NN)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(NN){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]N)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	N(C[6,6]C[3x6]C[6]2)(NN)	108.0640	0.000	1	108.0640	0.000	1	108.0640	0.000	1	108.0640	0.000	1	108.4896	3.499	7	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6,6]	N	3:4:2:1:	4:4:3:1:	4:3:	C[5a,6]-3:C[6,6]-4:N-2:H-1:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-4:S-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(NS)(H)	C[6,6](C[6]C[5a,6]HN)(C[6,6]C[6]2H)(C[6]O[6]O)(H)	N(C[6]C[5a,6]C[6,6]H)(SCO)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(NS)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6]C[5a,6]HN)(C[6,6]C[6]2H)(C[6]O[6]O)(H){1|C<4>,2|C<3>,4|H<1>}	N(C[6]C[5a,6]C[6,6]H)(SCO)	113.5340	0.000	1	113.5340	0.000	1	113.5340	0.000	1	113.5340	0.000	1	109.4778	10.798	24	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6,6]	N	4:3:4:2:	4:4:4:1:	4:2:	C[6,6]-4:C[6]-3:C-4:N-2:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:N-2:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(NN)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CN)(C[6]C[6]HH)(H)	N(C[6]C[6,6]C[6]C)(NN)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(NN){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	N(C[6]C[6,6]C[6]C)(NN)	104.6760	0.000	1	104.6760	0.000	1	104.6760	0.000	1	104.6760	0.000	1	109.4778	10.798	24	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6,6]	N	4:4:2:1:	4:4:2:1:	4:2:	C[6,6]-4:C[6,6]-4:N-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:N-2:	C[6](C[6,6]C[6,6]O[6]H)2(NN)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HN)(O[6]C[6])(H)	N(C[6]C[6,6]2H)(NN)	C[6](C[6,6]C[6,6]O[6]H)2(NN)(H){2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HN)(O[6]C[6])(H){1|N<2>,2|H<1>,2|O<2>,3|C<4>}	N(C[6]C[6,6]2H)(NN)	109.3679	1.548	7	109.3113	2.730	9	109.3113	2.730	9	110.7075	7.196	15	109.4778	10.798	24	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6,6]	N	4:4:2:1:	4:4:2:1:	4:2:	C[6,6]-4:C[6,6]-4:N-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:N-2:	C[6](C[6,6]C[6,6]O[6]H)2(NN)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HN)(O[6]C[6])(H)	N(C[6]C[6,6]2H)(NN)	C[6](C[6,6]C[6,6]O[6]H)2(NN)(H){2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HN)(O[6]C[6])(H){2|H<1>,3|C<4>,3|O<2>}	N(C[6]C[6,6]2H)(NN)	109.1135	2.712	2	109.3113	2.730	9	109.3113	2.730	9	110.7075	7.196	15	109.4778	10.798	24	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6,6]	N	4:4:2:1:	4:4:2:1:	4:2:	C[6,6]-4:C[6]-4:N-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:N-2:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NN)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H)	N(C[6]C[6,6]C[6]H)(NN)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NN)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	N(C[6]C[6,6]C[6]H)(NN)	113.2485	1.163	2	113.2485	1.353	2	112.8018	7.008	6	110.7075	7.196	15	109.4778	10.798	24	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6,6]	N	4:4:2:1:	4:4:2:1:	4:2:	C[6,6]-4:C[6]-4:N-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:N-2:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(NN)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H)	N(C[6]C[6,6]C[6]H)(NN)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(NN)(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H){1|C<2>,2|C<4>,2|O<2>,3|H<1>}	N(C[6]C[6,6]C[6]H)(NN)	112.0460	0.000	1	110.0725	7.789	2	112.8018	7.008	6	110.7075	7.196	15	109.4778	10.798	24	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6,6]	N	4:4:2:1:	4:4:2:1:	4:2:	C[6,6]-4:C[6]-4:N-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:N-2:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(NN)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H)	N(C[6]C[6,6]C[6]H)(NN)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(NN)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	N(C[6]C[6,6]C[6]H)(NN)	108.0990	0.000	1	110.0725	7.789	2	112.8018	7.008	6	110.7075	7.196	15	109.4778	10.798	24	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6,6]	N	4:4:2:1:	4:4:2:1:	4:2:	C[6,6]-4:C[6]-4:N-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:N-2:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(NN)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H)	N(C[6]C[6,6]C[6]H)(NN)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H){2|H<1>,3|C<4>,3|O<2>}	N(C[6]C[6,6]C[6]H)(NN)	115.0845	0.424	2	115.0845	0.179	2	112.8018	7.008	6	110.7075	7.196	15	109.4778	10.798	24	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6,6]	N	4:4:2:1:	4:4:4:1:	4:2:	C[6,6]-4:C[6]-4:N-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:N-2:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(NN)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HN)(H)	N(C[6]C[6,6]C[6]H)(NN)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(NN)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HN)(H){2|O<2>,3|C<4>,5|H<1>}	N(C[6]C[6,6]C[6]H)(NN)	110.7140	0.000	1	110.7140	0.000	1	110.7140	0.000	1	110.7140	0.000	1	109.4778	10.798	24	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6,6]	N	4:4:3:2:	3:4:3:2:	4:2:	C[6,6]-4:C[6]-4:C[6a]-3:N-2:	N[6,6]-3:C[6]-4:C[6]-3:O-2:	C[6]-4:N-2:	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6,6a]HO)(C[6a]C[6a]2)(NN)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6a]C[6]N)(C[6]N[6]O)(OH)	N(C[6]C[6,6]C[6a]C[6])(NN)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6,6a]HO)(C[6a]C[6a]2)(NN){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6a]C[6]N)(C[6]N[6]O)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	N(C[6]C[6,6]C[6a]C[6])(NN)	103.4610	0.000	1	103.4610	0.000	1	103.4610	0.000	1	103.4610	0.000	1	109.4778	10.798	24	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6,6]	N	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C-4:N-2:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NC)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CN)(C[6]C[6]HH)(H)	N(C[6]C[6,6]C[6]C)(C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NC){3|C<4>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	N(C[6]C[6,6]C[6]C)(C)	107.6030	0.000	1	107.7505	0.044	2	107.8793	0.072	3	107.8793	0.072	3	109.4778	10.798	24	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6,6]	N	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C-4:N-2:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NC)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CN)(C[6]C[6]HH)(H)	N(C[6]C[6,6]C[6]C)(C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NC){3|C<4>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CN)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	N(C[6]C[6,6]C[6]C)(C)	107.8980	0.000	1	107.7505	0.044	2	107.8793	0.072	3	107.8793	0.072	3	109.4778	10.798	24	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6,6]	N	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C-4:N-2:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NC)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CN)(C[6]C[6]HH)(H)	N(C[6]C[6,6]C[6]C)(C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NC){3|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	N(C[6]C[6,6]C[6]C)(C)	108.1370	0.000	1	108.1370	0.000	1	107.8793	0.072	3	107.8793	0.072	3	109.4778	10.798	24	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6,6]	N	4:4:4:2:	4:4:4:1:	4:2:	C[6,6]-4:C[6]-4:C-4:N-2:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:N-2:	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(CCCH)(NN)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6]C[6]CN)(H)	N(C[6]C[6,6]C[6]C)(NN)	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(CCCH)(NN){3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6]C[6]CN)(H){1|O<2>,2|C<4>,2|N<3>,5|H<1>}	N(C[6]C[6,6]C[6]C)(NN)	107.2670	0.000	1	107.2670	0.000	1	107.2670	0.000	1	107.2670	0.000	1	109.4778	10.798	24	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6,6]	N	4:4:4:2:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:C-4:N-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(NC)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CN)(C[6]C[6]HH)(H)	N(C[6]C[6,6]C[6]C)(CC[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(NC){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	N(C[6]C[6,6]C[6]C)(CC[6a]H)	103.5630	0.000	1	103.5630	0.000	1	103.5630	0.000	1	103.5630	0.000	1	109.4778	10.798	24	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:2:1:	2:4:1:1:	4:3:	C[6]-3:C[6]-4:N-2:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]N[6,6a]O)(C[6]O[6]HH)(NC)(H)	C[6](O[6]B[6,6a])(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(COO)	C[6](C[6]N[6,6a]O)(C[6]O[6]HH)(NC)(H){1|B<3>,1|N<2>}	C[6](O[6]B[6,6a])(C[6]C[6]HN)(H)2{1|C<3>,1|N<3>,1|O<1>}	N(C[6]C[6]2H)(COO)	110.4810	0.000	1	110.4810	0.000	1	110.4810	0.000	1	110.4810	0.000	1	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:2:1:	3:4:2:1:	4:3:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(NC[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(NC[6a])(H)	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(NC[6a])(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(NC[6a])(H){1|H<1>,4|C<3>}	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)	109.1980	0.255	2	109.1980	0.065	2	109.1980	0.065	2	109.1980	0.065	2	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:2:1:	3:4:4:2:	4:3:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(NC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(CCCH)(OH)	N(C[6]C[6,6a]C[6]H)(CC[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(NC)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(CCCH)(OH){1|H<1>,4|C<3>}	N(C[6]C[6,6a]C[6]H)(CC[6a]2)	109.7810	0.000	1	109.7810	0.000	1	109.7810	0.000	1	109.7810	0.000	1	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:2:1:	4:4:1:1:	3:4:	C[6]-3:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NC[5])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[5]N[5]S[5])(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NC[5])(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<3>,2|H<1>}	N(C[5]N[5]S[5])(C[6]C[6]2H)	109.3385	0.742	4	109.3385	0.550	4	109.3385	0.550	4	109.3385	0.550	4	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:2:1:	4:4:1:1:	4:2:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-2:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NN)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	N(C[6]C[6,6a]C[6]H)(NN)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NN)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>}	N(C[6]C[6,6a]C[6]H)(NN)	110.1163	2.464	6	110.1163	6.073	6	110.1163	6.073	6	109.3564	6.414	8	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:2:1:	4:4:1:1:	4:2:	N[6,6]-3:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-2:	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(NN)(H)	C[6](C[6]N[6,6]HN)(C[6]C[6]HH)(H)2	N(C[6]N[6,6]C[6]H)(NN)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(NN)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]N[6,6]HN)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	N(C[6]N[6,6]C[6]H)(NN)	107.0765	0.821	2	107.0765	0.674	2	107.0765	0.674	2	109.3564	6.414	8	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:2:1:	4:4:1:1:	4:3:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NC)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	N(C[6]C[6,6a]C[6]H)(CCO)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NC)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6]H)(CCO)	110.9750	0.000	1	110.9750	0.000	1	109.6696	0.697	5	109.6696	0.697	5	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:2:1:	4:4:1:1:	4:3:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	N(C[6]C[6,6a]C[6]H)(CC[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6]H)(CC[5a]H)	109.2110	0.156	2	109.2110	0.024	2	109.6696	0.697	5	109.6696	0.697	5	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:2:1:	4:4:1:1:	4:3:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	N(C[6]C[6,6a]C[6]H)(CC[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6]H)(CC[6a]2)	110.0070	0.000	1	110.0070	0.000	1	109.6696	0.697	5	109.6696	0.697	5	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:2:1:	4:4:1:1:	4:3:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	N(C[6]C[6,6a]C[6]H)(CC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6]H)(CC[6a]H)	108.9440	0.000	1	108.9440	0.000	1	109.6696	0.697	5	109.6696	0.697	5	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:2:1:	4:4:1:1:	4:4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:S-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(NS)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(Br)(H)	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(NS)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(Br)(H){2|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)	106.0330	0.000	1	106.0330	0.000	1	106.0330	0.000	1	109.8323	13.917	3	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:2:1:	4:4:1:1:	4:4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NS)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]CH)(H)2	N(C[6]C[6,6a]C[6]H)(SO3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NS)(H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6]H)(SO3)	109.9740	0.000	1	111.7320	6.181	2	111.7320	6.181	2	109.8323	13.917	3	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:2:1:	4:4:1:1:	4:4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NS)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]CH)(H)2	N(C[6]C[6,6a]C[6]H)(SO3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NS)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6]H)(SO3)	113.4900	0.000	1	111.7320	6.181	2	111.7320	6.181	2	109.8323	13.917	3	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:2:1:	4:4:2:1:	4:2:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NN)(H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(OH)(H)	N(C[6]C[6,6a]C[6]H)(NN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(OH)(H){2|C<3>}	N(C[6]C[6,6a]C[6]H)(NN)	109.8660	0.000	1	109.8660	0.000	1	109.8660	0.000	1	110.2003	9.195	3	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:2:1:	4:4:2:1:	4:2:	C[6]-3:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-2:	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(NN)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	N(C[6]C[6]2H)(NN)	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	N(C[6]C[6]2H)(NN)	113.3860	0.000	1	110.3675	18.223	2	110.3675	18.223	2	110.2003	9.195	3	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:2:1:	4:4:2:1:	4:2:	C[6]-3:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-2:	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(NN)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	N(C[6]C[6]2H)(NN)	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<4>}	N(C[6]C[6]2H)(NN)	107.3490	0.000	1	110.3675	18.223	2	110.3675	18.223	2	110.2003	9.195	3	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:2:1:	4:4:4:1:	4:4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:S-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NS)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CH3)(H)	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NS)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)	110.9890	0.000	1	110.9890	0.000	1	110.9890	0.000	1	110.9890	0.000	1	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	3:4:3:2:	4:3:4:3:	4:2:	C[6a]-3:C[6]-4:C[6]-3:N-2:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C-2:	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(NC)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]Cl)(CH3)(CCH)	N(C[6]C[6a]C[6]2)(CS)	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(NC){1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]N)(C[6]C[6]Cl)(CH3)(CCH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N(C[6]C[6a]C[6]2)(CS)	106.9950	0.000	1	106.9950	0.000	1	106.9950	0.000	1	106.9950	0.000	1	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:2:2:1:	4:4:1:1:	4:3:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(O[6]C[6])(NC)(H)	C[6](C[6]C[6]HH)(C[6]O[6]HN)(H)2	N(C[6]C[6]O[6]H)(COO)	C[6](C[6]C[6]HH)(O[6]C[6])(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HN)(H)2{1|C<4>,2|H<1>}	N(C[6]C[6]O[6]H)(COO)	109.9470	0.000	1	109.9470	0.000	1	109.9470	0.000	1	109.9470	0.000	1	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:2:2:1:	4:4:2:1:	4:2:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HN)(O[6]C[6])(NN)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NN)(H)	N(C[6]C[6]O[6]H)(NN)	C[6](C[6]C[6]HN)(O[6]C[6])(NN)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]O[6]H)(NN)	105.6930	0.000	1	105.6930	0.000	1	105.6930	0.000	1	109.2288	7.769	10	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:2:2:1:	4:4:2:1:	4:2:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-2:	C[6](C[6]C[6]HO)(O[6]C[6])(NC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	N(C[6]C[6]O[6]H)(CO)	C[6](C[6]C[6]HO)(O[6]C[6])(NC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]O[6]H)(CO)	110.6670	0.000	1	110.6670	0.000	1	110.6670	0.000	1	109.2288	7.769	10	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:2:2:1:	4:4:2:1:	4:2:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	N(C[6]C[6]O[6]H)(NN)	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]O[6]H)(NN)	107.0355	0.056	2	109.4910	7.829	8	109.4910	7.829	8	109.2288	7.769	10	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:2:2:1:	4:4:2:1:	4:2:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	N(C[6]C[6]O[6]H)(NN)	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]O[6]H)(NN)	107.8850	0.000	1	109.4910	7.829	8	109.4910	7.829	8	109.2288	7.769	10	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:2:2:1:	4:4:2:1:	4:2:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	N(C[6]C[6]O[6]H)(NN)	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]O[6]H)(NN)	110.7944	2.814	5	109.4910	7.829	8	109.4910	7.829	8	109.2288	7.769	10	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:2:2:1:	4:4:2:1:	4:3:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(O[6]C[6,6])(NC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OH)(H)	N(C[6]C[6]O[6]H)(CC[6a]H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(NC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]O[6]H)(CC[6a]H)	111.3840	0.000	1	111.3840	0.000	1	110.5932	2.815	6	110.3059	2.923	7	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:2:2:1:	4:4:2:1:	4:3:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(O[6]C[6])(NC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	N(C[6]C[6]O[6]H)(CCN)	C[6](C[6]C[6]HO)(O[6]C[6])(NC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]O[6]H)(CCN)	108.6900	0.000	1	108.6900	0.000	1	110.5932	2.815	6	110.3059	2.923	7	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:2:2:1:	4:4:2:1:	4:3:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(O[6]C[6])(NC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	N(C[6]C[6]O[6]H)(CCO)	C[6](C[6]C[6]HO)(O[6]C[6])(NC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]O[6]H)(CCO)	113.5100	0.000	1	113.5100	0.000	1	110.5932	2.815	6	110.3059	2.923	7	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:2:2:1:	4:4:2:1:	4:3:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(O[6]C[6])(NC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	N(C[6]C[6]O[6]H)(CC[6a]H)	C[6](C[6]C[6]HO)(O[6]C[6])(NC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]O[6]H)(CC[6a]H)	109.9917	0.341	3	109.9917	0.116	3	110.5932	2.815	6	110.3059	2.923	7	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:2:2:1:	4:4:2:1:	4:3:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[5]-3:	C[6](C[6]C[6]HO)(O[6]C[6])(NC[5])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	N(C[6]C[6]O[6]H)(C[5]N[5]S[5])	C[6](C[6]C[6]HO)(O[6]C[6])(NC[5])(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]O[6]H)(C[5]N[5]S[5])	108.5820	0.000	1	108.5820	0.000	1	108.5820	0.000	1	110.3059	2.923	7	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:2:2:1:	4:4:4:1:	4:2:	C[6]-4:O[6]-2:N-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-2:	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(NN)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HN)(CH3)(H)	N(C[6]C[6]O[6]H)(NN)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(NN)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HN)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	N(C[6]C[6]O[6]H)(NN)	109.9680	0.000	1	109.9680	0.000	1	109.9680	0.000	1	109.9680	0.000	1	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:2:2:2:	4:4:2:1:	4:1:	C[6]-4:O[6]-2:N-2:O-2:	C[6]-4:C[6]-4:C-2:Cl-1:	C[6]-4:H-1:	C[6](C[6]C[6]ClC)(O[6]C[6,6a])(NH)(OC)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]NO)(CN)(Cl)	N(C[6]C[6]O[6]O)(H)	C[6](C[6]C[6]ClC)(O[6]C[6,6a])(NH)(OC){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]NO)(CN)(Cl){4|C<3>}	N(C[6]C[6]O[6]O)(H)	115.0310	0.000	1	115.0310	0.000	1	115.0310	0.000	1	115.0310	0.000	1	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:2:3:2:	4:4:2:1:	4:2:	C[6]-4:O[6]-2:C-3:N-2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HN)(O[6]C[6])(COO)(NN)	C[6](C[6]C[6]HN)(C[6]O[6]CN)(NN)(H)	N(C[6]C[6]O[6]C)(NN)	C[6](C[6]C[6]HN)(O[6]C[6])(COO)(NN){1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]CN)(NN)(H){1|C<4>,1|H<1>,1|N<3>}	N(C[6]C[6]O[6]C)(NN)	110.0600	0.000	1	110.0600	0.000	1	109.4847	2.071	3	109.4847	2.071	3	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:2:3:2:	4:4:2:1:	4:2:	C[6]-4:O[6]-2:C-3:N-2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HN)(O[6]C[6])(COO)(NN)	C[6](C[6]C[6]HO)(C[6]O[6]CN)(NN)(H)	N(C[6]C[6]O[6]C)(NN)	C[6](C[6]C[6]HN)(O[6]C[6])(COO)(NN){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CN)(NN)(H){1|C<4>,1|H<1>,1|N<3>}	N(C[6]C[6]O[6]C)(NN)	110.5470	0.000	1	109.1970	3.645	2	109.4847	2.071	3	109.4847	2.071	3	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:2:3:2:	4:4:2:1:	4:2:	C[6]-4:O[6]-2:C-3:N-2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HN)(O[6]C[6])(COO)(NN)	C[6](C[6]C[6]HO)(C[6]O[6]CN)(NN)(H)	N(C[6]C[6]O[6]C)(NN)	C[6](C[6]C[6]HN)(O[6]C[6])(COO)(NN){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CN)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]O[6]C)(NN)	107.8470	0.000	1	109.1970	3.645	2	109.4847	2.071	3	109.4847	2.071	3	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-3:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a])(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)	111.6320	0.000	1	111.6320	0.000	1	111.6320	0.000	1	111.6320	0.000	1	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-3:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]N[6]O)(NC)(H)	C[6](C[6]C[6]HN)(C[6]S[6]HH)(H)2	N(C[6]C[6]2H)(COO)	C[6](C[6]C[6]HH)(C[6]N[6]O)(NC)(H){1|S<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]S[6]HH)(H)2{1|C<4>,1|N<2>,2|O<1>}	N(C[6]C[6]2H)(COO)	110.0670	0.000	1	110.0670	0.000	1	110.0670	0.000	1	110.0670	0.000	1	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:2:1:	4:4:2:1:	4:2:	C[6]-4:C[6]-3:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HO)(C[6]C[6]H)(NN)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HN)(OH)(H)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NN)(H){1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HN)(OH)(H){1|C<3>,1|O<1>,2|H<1>}	N(C[6]C[6]2H)(NN)	108.0240	0.000	1	107.4930	0.564	2	107.4930	0.564	2	107.4930	0.564	2	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:2:1:	4:4:2:1:	4:2:	C[6]-4:C[6]-3:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HO)(C[6]C[6]H)(NN)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HN)(OH)(H)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NN)(H){1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HN)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	N(C[6]C[6]2H)(NN)	106.9620	0.000	1	107.4930	0.564	2	107.4930	0.564	2	107.4930	0.564	2	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:3:2:	4:3:3:1:	4:1:	C[6]-4:C[6a]-3:C[6]-3:N-2:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C-1:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(NC)	C[6](C[6]C[6a]C[6]N)(C[6a]C[6a]2)(C[6]C[6]H)(H)	N(C[6]C[6a]C[6]2)(C)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(NC){4|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]N)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	N(C[6]C[6a]C[6]2)(C)	109.1970	0.000	1	109.1970	0.000	1	109.1970	0.000	1	109.1970	0.000	1	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:4:2:	3:4:3:1:	4:1:	C[6]-4:C[6]-3:C-4:N-2:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CC[6a]HH)(NC)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]H)(H)	N(C[6]C[6]2C)(C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CC[6a]HH)(NC){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N(C[6]C[6]2C)(C)	110.2310	0.000	1	110.2310	0.000	1	110.2310	0.000	1	110.2310	0.000	1	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:4:2:	4:2:1:1:	4:2:	C[5]-4:C[6]-3:C[6]-4:N-2:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N-2:	C[6](C[5]C[5,6a]C[5]N)(C[6]C[6,6a]O)(C[6]O[6]HH)(NN)	C[6](C[6]C[5]C[6]N)(O[6]C[6,6a])(H)2	N(C[6]C[5]C[6]2)(NN)	C[6](C[5]C[5,6a]C[5]N)(C[6]C[6,6a]O)(C[6]O[6]HH)(NN){1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[5]C[6]N)(O[6]C[6,6a])(H)2{1|N<3>,1|O<1>,4|C<3>}	N(C[6]C[5]C[6]2)(NN)	102.0060	0.000	1	102.0060	0.000	1	102.0060	0.000	1	102.0060	0.000	1	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:4:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-3:C-4:N-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(NS)	C[6](C[6]C[6]CH)(C[6]C[6]CN)(H)2	N(C[6]C[6]2C)(SC[6a]OO)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(NS){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]CN)(H)2{1|C<3>,3|H<1>}	N(C[6]C[6]2C)(SC[6a]OO)	108.1590	0.000	1	108.1590	0.000	1	109.8413	6.121	3	109.8413	6.121	3	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:3:4:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-3:C-4:N-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(NS)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(SC[6a]OO)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(NS){1|C<4>,3|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	N(C[6]C[6]2C)(SC[6a]OO)	110.6825	2.828	2	110.6825	7.996	2	109.8413	6.121	3	109.8413	6.121	3	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	3:3:4:4:	4:4:	C[6]-4:C[6]-4:N-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:S-4:	C[6](C[6]C[6a]2C[6])(C[6]C[6]CH)(NS)(H)	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]HN)	N(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6a]2C[6])(C[6]C[6]CH)(NS)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]HN){2|C<4>,4|C<3>,7|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)	113.4000	0.000	1	113.4000	0.000	1	113.4000	0.000	1	113.4000	0.000	1	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	3:4:1:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N-2:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NN)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NN)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2{3|H<1>,4|C<4>}	N(C[6]C[6]2H)(NN)	110.1303	3.407	3	110.1303	11.611	3	110.1303	11.611	3	109.1218	11.809	4	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	3:4:1:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N-2:	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(NN)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(NN)	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(NN)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(NN)	106.0960	0.000	1	106.0960	0.000	1	106.0960	0.000	1	109.1218	11.809	4	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	3:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,4|H<1>}	N(C[6]C[6]2H)(COO)	109.4460	0.000	1	109.4460	0.000	1	109.4460	0.000	1	108.8670	0.267	3	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	3:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]N[5,6]HH)2(NC)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]N[5,6]HH)2(NC)(H){3|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N(C[6]C[6]2H)(CC[6a]H)	108.5775	0.179	2	108.5775	0.032	2	108.5775	0.032	2	108.8670	0.267	3	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	3:4:2:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6]-4:C-2:H-1:	C[6]-4:N-2:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(NN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CN)(H)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(NN)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CN)(H){1|C<4>,2|C<3>,3|H<1>}	N(C[6]C[6]2H)(NN)	104.7950	0.000	1	104.7950	0.000	1	104.7950	0.000	1	104.7950	0.000	1	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	3:4:2:3:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6a]-3:C[6]-4:O[6]-2:C-3:	C[6]-4:N-2:	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(NN)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(CC[6a]O)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(NN)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(CC[6a]O){1|C<4>,2|C<3>,6|H<1>}	N(C[6]C[6]2H)(NN)	112.2110	0.000	1	112.2110	0.000	1	112.2110	0.000	1	112.2110	0.000	1	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	3:4:4:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NC)(H)	C[6](N[6]In[6]C[6])(C[6]C[6]HH)(C[6]C[6]HN)(H)	N(C[6]C[6]2H)(CCC)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NC)(H){1|In<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](N[6]In[6]C[6])(C[6]C[6]HH)(C[6]C[6]HN)(H){2|O<2>,4|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCC)	108.2400	0.000	1	108.2400	0.000	1	108.2400	0.000	1	108.2400	0.000	1	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	3:4:4:3:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:N-2:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(NN)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(CC[6a]O)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(NN)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(CC[6a]O){1|C<4>,2|C<3>,6|H<1>}	N(C[6]C[6]2H)(NN)	103.6380	0.000	1	103.6380	0.000	1	103.6380	0.000	1	103.6380	0.000	1	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:2:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NC)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(H)2	N(C[6]C[6]2H)(CCH)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NC)(H){1|C<4>}	C[6](C[6]C[6]HN)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N(C[6]C[6]2H)(CCH)	109.1790	0.000	1	109.1790	0.000	1	109.1790	0.000	1	109.1790	0.000	1	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:2:2:1:	4:2:	C[6,6]-4:C[6]-4:N-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:N-2:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(NN)(H)	C[6](C[6]C[6,6]HN)(O[6]C[6])(OC)(H)	N(C[6]C[6,6]C[6]H)(NN)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6,6]C[6]H)(NN)	111.0980	1.242	2	111.0980	1.542	2	111.0980	1.542	2	108.5363	7.709	13	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:2:2:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NN)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(NN)(H)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(NN)(H){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(NN)	109.1170	0.000	1	109.1170	0.000	1	109.1170	0.000	1	108.5363	7.709	13	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:2:2:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:N-2:	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NN)(H)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|N<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(NN)	105.3500	0.450	2	104.8627	0.814	3	107.4099	5.803	9	108.5363	7.709	13	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:2:2:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:N-2:	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NN)(H)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|N<3>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(NN)	103.8880	0.000	1	104.8627	0.814	3	107.4099	5.803	9	108.5363	7.709	13	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:2:2:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:N-2:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NN)(H)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(NN)	109.4410	2.233	3	109.4410	4.985	3	107.4099	5.803	9	108.5363	7.709	13	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:2:2:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NN)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(OC[6])(H)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(NN)	108.3110	0.000	1	108.3110	0.000	1	107.4099	5.803	9	108.5363	7.709	13	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:2:2:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NN)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(ON)(H)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(ON)(H){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(NN)	107.7335	1.401	2	107.7335	1.962	2	107.4099	5.803	9	108.5363	7.709	13	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:2:2:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NN)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(SC[6a])(H)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(SC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(NN)	112.9700	0.000	1	112.9700	0.000	1	112.9700	0.000	1	108.5363	7.709	13	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:2:2:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NC)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]H)	108.9370	1.587	2	108.9370	2.518	2	109.1640	1.413	3	109.1640	1.413	3	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:2:2:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NC)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	N(C[6]C[6]2H)(CN[5a]C)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NC)(H){1|C<4>,1|H<1>,1|I<1>}	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(CN[5a]C)	109.6180	0.000	1	109.6180	0.000	1	109.1640	1.413	3	109.1640	1.413	3	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:2:3:2:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:O[6]-2:C-3:N-2:	C[6]-4:N-2:	C[6](C[6]C[6]HN)(C[6]O[6]CN)(NN)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(COO)(NN)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HN)(C[6]O[6]CN)(NN)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HN)(O[6]C[6])(COO)(NN){1|N<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(NN)	106.7380	0.000	1	106.7380	0.000	1	106.2547	0.379	3	106.2547	0.379	3	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:2:3:2:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:O[6]-2:C-3:N-2:	C[6]-4:N-2:	C[6](C[6]C[6]HO)(C[6]O[6]CN)(NN)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(COO)(NN)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HO)(C[6]O[6]CN)(NN)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HN)(O[6]C[6])(COO)(NN){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(NN)	106.4640	0.000	1	106.0130	0.407	2	106.2547	0.379	3	106.2547	0.379	3	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:2:3:2:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:O[6]-2:C-3:N-2:	C[6]-4:N-2:	C[6](C[6]C[6]HO)(C[6]O[6]CN)(NN)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(COO)(NN)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HO)(C[6]O[6]CN)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(COO)(NN){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(NN)	105.5620	0.000	1	106.0130	0.407	2	106.2547	0.379	3	106.2547	0.379	3	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:2:4:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NN)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(NN)	107.1474	1.566	7	107.1474	2.451	7	107.2738	2.229	8	107.2738	2.229	8	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:2:4:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NN)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NN)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(NN)	108.1580	0.000	1	108.1580	0.000	1	107.2738	2.229	8	107.2738	2.229	8	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NC)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CCCH)(H)	N(C[6]C[6]2H)(CCH)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NC)(H){1|C<4>}	C[6](C[6]C[6]HN)(O[6]C[6])(CCCH)(H){1|C<3>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)(CCH)	110.0570	0.000	1	110.0570	0.000	1	110.0570	0.000	1	110.0570	0.000	1	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:3:1:1:	4:2:	C[5,5,6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N-2:	C[6](C[5,5,6]C[5,5,6]N[5]O[5])(C[6]C[6]HH)(NN)(H)	C[6](C[6]C[5,5,6]HN)(C[6]C[6]H)(H)2	N(C[6]C[5,5,6]C[6]H)(NN)	C[6](C[5,5,6]C[5,5,6]N[5]O[5])(C[6]C[6]HH)(NN)(H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[5,5,6]HN)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>}	N(C[6]C[5,5,6]C[6]H)(NN)	109.7065	4.798	2	109.7065	23.018	2	109.7065	23.018	2	109.7065	23.018	2	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:3:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)2	N(C[6]C[6]2H)(COO)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NC)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)2{1|Br<1>,1|C<4>,2|H<1>}	N(C[6]C[6]2H)(COO)	111.2260	0.000	1	111.2260	0.000	1	111.2260	0.000	1	111.2260	0.000	1	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C-3:C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(CC[3x3,4,3x5,14x6]N)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(CC[3x3,4,3x5,14x6]N)(C[6]C[6]2H)	108.7360	0.143	2	108.7360	0.020	2	108.5858	0.052	4	109.4724	1.687	68	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C-3:C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(CC[5x3,5x5,20x6]N)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(CC[5x3,5x5,20x6]N)(C[6]C[6]2H)	108.4355	0.211	2	108.4355	0.045	2	108.5858	0.052	4	109.4724	1.687	68	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4]-3:C[6]-4:	C[6](C[6]C[6]HH)2(NC[4])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[4]B[3,4]C[4])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[4])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[4]B[3,4]C[4])(C[6]C[6]2H)	109.2168	1.068	4	109.2168	1.140	4	109.6951	1.311	12	109.4724	1.687	68	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4]-3:C[6]-4:	C[6](C[6]C[6]HH)2(NC[4])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[4]C[4,5]N[4])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[4])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[4]C[4,5]N[4])(C[6]C[6]2H)	109.6055	2.600	2	109.6055	6.760	2	109.6951	1.311	12	109.4724	1.687	68	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4]-3:C[6]-4:	C[6](C[6]C[6]HH)2(NC[4])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[4]C[4]N[4])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[4])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[4]C[4]N[4])(C[6]C[6]2H)	109.8810	0.357	4	109.8810	0.127	4	109.6951	1.311	12	109.4724	1.687	68	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4]-3:C[6]-4:	C[6](C[6]C[6]HH)2(NC[4])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[4]N[4]O[4])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[4])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[4]N[4]O[4])(C[6]C[6]2H)	110.3695	1.371	2	110.3695	1.880	2	109.6951	1.311	12	109.4724	1.687	68	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4a]-3:C[6]-4:	C[6](C[6]C[6]HH)2(NC[4a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[4a]N[4a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[4a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[4a]N[4a]2)(C[6]C[6]2H)	109.3293	2.130	4	109.3293	4.538	4	109.3293	4.538	4	109.4724	1.687	68	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[5])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[5]C[5,6a]C[5])(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[5])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	N(C[5]C[5,6a]C[5])(C[6]C[6]2H)	109.5690	1.663	2	109.5690	2.766	2	109.3076	1.292	28	109.4724	1.687	68	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:	C[6](C[6]C[6]HH)2(NC[5])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[5]C[5,6]O[5])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[5])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[5]C[5,6]O[5])(C[6]C[6]2H)	108.6240	2.329	2	108.6240	5.425	2	109.3076	1.292	28	109.4724	1.687	68	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:	C[6](C[6]C[6]HH)2(NC[5])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[5]C[5,6a]N[5])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[5])(H){1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[5]C[5,6a]N[5])(C[6]C[6]2H)	109.4090	0.011	2	109.4090	0.000	2	109.3076	1.292	28	109.4724	1.687	68	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:	C[6](C[6]C[6]HH)2(NC[5])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[5]C[5]N[5])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[5])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[5]C[5]N[5])(C[6]C[6]2H)	108.8653	0.971	4	108.8653	0.942	4	109.3076	1.292	28	109.4724	1.687	68	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:	C[6](C[6]C[6]HH)2(NC[5])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[5]C[5]O[5])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[5])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[5]C[5]O[5])(C[6]C[6]2H)	109.3690	1.427	8	109.3690	2.037	8	109.3076	1.292	28	109.4724	1.687	68	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:	C[6](C[6]C[6]HH)2(NC[5])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[5]C[5x3,6x5,20x6]N[5])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[5])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[5]C[5x3,6x5,20x6]N[5])(C[6]C[6]2H)	108.5600	0.554	2	108.5600	0.307	2	109.3076	1.292	28	109.4724	1.687	68	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:	C[6](C[6]C[6]HH)2(NC[5])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[5]N[5,5]Se[5])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[5])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[5]N[5,5]Se[5])(C[6]C[6]2H)	109.8570	0.758	2	109.8570	0.575	2	109.3076	1.292	28	109.4724	1.687	68	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:	C[6](C[6]C[6]HH)2(NC[5])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[5]N[5]O[5])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[5])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[5]N[5]O[5])(C[6]C[6]2H)	109.3535	0.086	2	109.3535	0.007	2	109.3076	1.292	28	109.4724	1.687	68	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:	C[6](C[6]C[6]HH)2(NC[5])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[5]N[5]S[5])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[5])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[5]N[5]S[5])(C[6]C[6]2H)	110.2050	1.778	2	110.2050	3.160	2	109.3076	1.292	28	109.4724	1.687	68	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:	C[6](C[6]C[6]HH)2(NC[5])(H)	C[6](C[6]C[6]HN)2(H)2	N(C[5]C[5,6a]N[5])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[5])(H){1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	N(C[5]C[5,6a]N[5])(C[6]C[6]2H)	109.5220	0.479	2	109.5220	0.230	2	109.3076	1.292	28	109.4724	1.687	68	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:	C[6](C[6]C[6]HH)2(NC[5a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[5a]C[5a]N[5a])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[5a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[5a]C[5a]N[5a])(C[6]C[6]2H)	109.9422	0.709	6	109.9422	0.502	6	110.1253	2.007	10	109.4724	1.687	68	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:	C[6](C[6]C[6]HH)2(NC[5a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[5a]C[5a]S[5a])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[5a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[5a]C[5a]S[5a])(C[6]C[6]2H)	109.6800	0.031	2	109.6800	0.001	2	110.1253	2.007	10	109.4724	1.687	68	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:	C[6](C[6]C[6]HH)2(NC[5a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[5a]N[5a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[5a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[5a]N[5a]2)(C[6]C[6]2H)	111.1200	3.602	2	111.1200	12.974	2	110.1253	2.007	10	109.4724	1.687	68	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6]HH)2(NC[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[5a,6]O[6])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[5a,6]O[6])(C[6]C[6]2H)	108.4215	1.302	2	108.4215	1.695	2	109.0456	1.035	8	109.4724	1.687	68	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6]HH)2(NC[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]O[6])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]O[6])(C[6]C[6]2H)	108.6045	0.455	2	108.6045	0.207	2	109.0456	1.035	8	109.4724	1.687	68	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6]HH)2(NC[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]N[6]P[6])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]N[6]P[6])(C[6]C[6]2H)	109.5782	1.007	4	109.5782	1.015	4	109.0456	1.035	8	109.4724	1.687	68	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HH)2(NC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)	110.9460	3.164	2	110.9460	10.008	2	110.9460	10.008	2	109.4724	1.687	68	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	N(C[6]C[6]2H)(H)	109.1595	0.026	2	109.1595	0.001	2	109.1595	0.001	2	109.1595	0.001	2	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-2:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NN)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NN)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{4|C<4>,4|H<1>}	N(C[6]C[6]2H)(NN)	109.6230	0.000	1	109.6230	0.000	1	109.6230	0.000	1	109.6413	3.330	91	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CS)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CS)	110.3610	0.000	1	110.3610	0.000	1	109.3814	1.962	71	109.6413	3.330	91	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6])	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6])	109.1190	0.000	1	109.1190	0.000	1	109.3814	1.962	71	109.6413	3.330	91	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CFe)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CFe)	109.7594	1.108	14	109.7594	1.227	14	109.3814	1.962	71	109.6413	3.330	91	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CMo)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CMo)	113.8415	1.255	2	113.8415	1.575	2	109.3814	1.962	71	109.6413	3.330	91	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CNi)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CNi)	109.5185	0.056	2	109.5185	0.003	2	109.3814	1.962	71	109.6413	3.330	91	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CPd)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CPd)	109.1299	0.771	27	109.1299	0.595	27	109.3814	1.962	71	109.6413	3.330	91	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CPt)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CPt)	108.9046	0.961	18	108.9046	0.923	18	109.3814	1.962	71	109.6413	3.330	91	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CRe)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CRe)	109.5460	3.559	4	109.5460	12.665	4	109.3814	1.962	71	109.6413	3.330	91	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	N(C[6]C[6]2H)(CC[6a])	C[6](C[6]C[6]HH)2(NC)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	N(C[6]C[6]2H)(CC[6a])	109.1360	1.338	2	109.1360	1.790	2	109.3814	1.962	71	109.6413	3.330	91	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-2:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NN)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NN)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(NN)	108.5423	3.408	3	108.2040	8.199	4	110.3630	6.951	18	109.6413	3.330	91	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-2:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NN)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NN)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{2|H<1>,3|C<4>}	N(C[6]C[6]2H)(NN)	107.1890	0.000	1	108.2040	8.199	4	110.3630	6.951	18	109.6413	3.330	91	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-2:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(NN)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(NN)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2{1|C<2>,1|H<1>,2|C<3>}	N(C[6]C[6]2H)(NN)	113.0660	0.000	1	113.0660	0.000	1	110.3630	6.951	18	109.6413	3.330	91	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NN)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N(C[6]C[6]2H)(NN)	111.3660	0.000	1	111.3660	0.000	1	110.3630	6.951	18	109.6413	3.330	91	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(NN)	107.2050	0.000	1	107.2050	0.000	1	110.3630	6.951	18	109.6413	3.330	91	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NN)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NN)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(NN)	114.8810	0.000	1	114.8810	0.000	1	110.3630	6.951	18	109.6413	3.330	91	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HH)(C[6]O[6]CN)(NN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HH)(C[6]O[6]CN)(NN)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>}	N(C[6]C[6]2H)(NN)	112.7150	0.000	1	112.7150	0.000	1	110.3630	6.951	18	109.6413	3.330	91	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HH)2(NN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(NMo)	C[6](C[6]C[6]HH)2(NN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(NMo)	111.0740	2.925	2	111.0740	8.553	2	110.3630	6.951	18	109.6413	3.330	91	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HH)2(NN)(H)	C[6](C[6]C[6]HN)2(H)2	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HH)2(NN)(H){1|C<4>,2|H<1>,2|N<2>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(NN)	109.4648	0.732	5	109.4648	0.536	5	110.3630	6.951	18	109.6413	3.330	91	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-2:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(NN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(NN)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,2|C<3>,2|H<1>}	N(C[6]C[6]2H)(NN)	110.8090	0.000	1	110.8090	0.000	1	110.3630	6.951	18	109.6413	3.330	91	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-2:	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(NN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(NN)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|O<2>,2|C<3>,2|H<1>}	N(C[6]C[6]2H)(NN)	114.2040	0.000	1	114.2040	0.000	1	110.3630	6.951	18	109.6413	3.330	91	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(OS)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|S<4>,3|H<1>}	N(C[6]C[6]2H)(OS)	115.1230	0.000	1	115.1230	0.000	1	115.1230	0.000	1	109.6413	3.330	91	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(NC)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2	N(C[6]C[5,6]C[6]H)(CCS)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(NC)(H){3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	N(C[6]C[5,6]C[6]H)(CCS)	112.0310	0.000	1	112.0310	0.000	1	112.0310	0.000	1	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NC)(H)	C[6](C[6]C[6]HN)2(Br)(H)	N(C[6]C[6]2H)(COO)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NC)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]HN)2(Br)(H){1|C<3>,3|H<1>}	N(C[6]C[6]2H)(COO)	112.1320	0.000	1	112.1320	0.000	1	112.1320	0.000	1	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HN)(H)2{2|C<3>,3|H<1>}	N(C[6]C[6]2H)(COO)	112.1540	0.000	1	112.1540	0.000	1	109.3360	1.530	508	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]2)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]2)	106.9780	0.000	1	106.9780	0.000	1	109.3360	1.530	508	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCC)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	N(C[6]C[6]2H)(CCC)	109.2223	0.652	6	109.2223	0.426	6	109.3360	1.530	508	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCN)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CCN)	106.4150	0.000	1	106.4150	0.000	1	109.3360	1.530	508	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[5]O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	N(C[6]C[6]2H)(CC[5]O)	109.5820	0.000	1	109.5820	0.000	1	109.3360	1.530	508	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[5a]H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	N(C[6]C[6]2H)(CC[5a]H)	109.4298	0.568	11	109.4298	0.322	11	109.3360	1.530	508	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]C)	108.6508	0.999	11	108.6508	0.997	11	109.3360	1.530	508	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]H)	109.3148	1.130	249	109.3024	1.272	255	109.3360	1.530	508	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]H)	108.5352	0.806	5	109.3024	1.272	255	109.3360	1.530	508	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]H)	110.0460	0.000	1	109.3024	1.272	255	109.3360	1.530	508	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]O)	111.3460	0.000	1	110.8870	0.421	2	109.3360	1.530	508	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]O)	110.4280	0.000	1	110.8870	0.421	2	109.3360	1.530	508	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CNO)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CNO)	110.2490	0.000	1	110.2490	0.000	1	109.3360	1.530	508	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CNS)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CNS)	110.6460	0.000	1	110.6460	0.000	1	109.3360	1.530	508	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC)(H)	C[6](C[6]C[6]HN)2(H)2	N(C[6]C[6]2H)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(CCH)	108.3792	0.657	4	108.3792	0.432	4	109.3360	1.530	508	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]HH)2(NC)(H){5|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]H)	108.7415	1.174	6	108.7415	1.378	6	109.3360	1.530	508	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCN)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCN)	110.0282	0.619	8	110.0282	0.383	8	109.3360	1.530	508	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCO)	110.4271	1.877	10	110.4271	3.521	10	109.3360	1.530	508	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[5]H)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[5]H)	109.9770	0.414	2	109.9770	0.172	2	109.3360	1.530	508	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[5]N)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[5]N)	109.4675	2.504	2	109.4675	6.269	2	109.3360	1.530	508	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[5]Pd)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[5]Pd)	109.4135	0.452	2	109.4135	0.204	2	109.3360	1.530	508	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[5a]H)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	N(C[6]C[6]2H)(CC[5a]H)	109.6000	0.389	4	109.6011	0.492	14	109.3360	1.530	508	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[5a]H)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[5a]H)	109.6016	0.813	10	109.6011	0.492	14	109.3360	1.530	508	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6]H)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6]H)	110.5300	0.093	2	110.5300	0.009	2	109.3360	1.530	508	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]C)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]C)	109.5651	1.598	8	109.1068	1.791	20	109.3360	1.530	508	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]C)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]C)	108.6778	1.299	8	109.1068	1.791	20	109.3360	1.530	508	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]C)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]C)	109.0480	0.622	4	109.1068	1.791	20	109.3360	1.530	508	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]H)	109.6084	0.553	14	109.5491	0.653	28	109.3360	1.530	508	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]H)	109.4899	1.021	14	109.5491	0.653	28	109.3360	1.530	508	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CFeN)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CFeN)	108.9970	0.027	2	108.9970	0.001	2	109.3360	1.530	508	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CNN)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CNN)	109.8583	0.869	6	109.8583	0.755	6	109.3360	1.530	508	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CNP)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CNP)	108.9798	1.552	12	108.9798	2.408	12	109.3360	1.530	508	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CNS)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CNS)	110.2515	0.117	2	110.2515	0.014	2	109.3360	1.530	508	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CN[5]N)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CN[5]N)	109.4720	0.184	2	109.4720	0.034	2	109.3360	1.530	508	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CN[5a]N)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CN[5a]N)	109.2823	1.060	16	109.2823	1.123	16	109.3360	1.530	508	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CN[6]N)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CN[6]N)	110.3446	1.102	12	110.3446	1.214	12	109.3360	1.530	508	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CNiB)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CNiB)	109.5675	0.059	2	109.5675	0.003	2	109.3360	1.530	508	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]HH)2(NC)(H){1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]H)	109.1260	1.121	2	108.7297	2.503	31	109.3360	1.530	508	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]HH)2(NC)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]H)	108.7024	1.620	29	108.7297	2.503	31	109.3360	1.530	508	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]HH)2(NC)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]H)	108.6085	0.493	2	108.6085	0.243	2	109.3360	1.530	508	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HN)2(H)2	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,2|H<1>,2|N<2>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]H)	109.3537	1.954	26	109.3537	3.818	26	109.3360	1.530	508	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]H)	109.3950	0.506	5	109.3950	0.257	5	109.3360	1.530	508	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCC)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NC)(H){1|In<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CCC)	111.2700	0.000	1	111.2700	0.000	1	109.3360	1.530	508	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5]-3:	C[6](C[6]C[6]HH)2(NC[5])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(C[5]C[5]2)	C[6](C[6]C[6]HH)2(NC[5])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(C[5]C[5]2)	109.8385	2.621	2	109.8385	6.871	2	109.8385	6.871	2	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)2(NC[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(C[6]C[6]2)	C[6](C[6]C[6]HH)2(NC[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(C[6]C[6]2)	109.3777	1.818	4	109.3777	3.306	4	109.2200	2.251	6	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)2(NC[6])(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	N(C[6]C[6]2H)(C[6]C[6]2)	C[6](C[6]C[6]HH)2(NC[6])(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	N(C[6]C[6]2H)(C[6]C[6]2)	108.9045	1.019	2	108.9045	1.038	2	109.2200	2.251	6	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-3:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SCO)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(SCO)	112.6000	0.000	1	112.6000	0.000	1	112.6000	0.000	1	109.3535	1.583	519	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCNU)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCNU)	107.2655	1.777	2	107.2655	3.158	2	108.9470	2.560	10	110.4078	2.516	49	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCNY)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCNY)	109.9615	2.665	2	109.9615	7.103	2	108.9470	2.560	10	110.4078	2.516	49	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CTaCN)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CTaCN)	108.4570	1.557	2	108.4570	2.424	2	108.9470	2.560	10	110.4078	2.516	49	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CTiNN)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CTiNN)	109.5255	0.524	4	109.5255	0.274	4	108.9470	2.560	10	110.4078	2.516	49	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(PC[6a]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(PC[6a]2N)	109.8360	0.000	1	109.8360	0.000	1	111.0110	2.542	7	110.4078	2.516	49	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]HH)2(NP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(PNNO)	C[6](C[6]C[6]HH)2(NP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(PNNO)	111.3460	2.080	4	111.3460	4.328	4	111.0110	2.542	7	110.4078	2.516	49	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]HH)2(NP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(PO3)	C[6](C[6]C[6]HH)2(NP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(PO3)	110.9285	0.650	2	110.9285	0.422	2	111.0110	2.542	7	110.4078	2.516	49	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P[6]-4:	C[6](C[6]C[6]HH)2(NP[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(P[6]N[6]2N)	C[6](C[6]C[6]HH)2(NP[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(P[6]N[6]2N)	110.9284	1.406	22	110.9284	1.978	22	110.9284	1.978	22	110.4078	2.516	49	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]HH)2(NS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]HH)2(NS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)	110.6855	1.992	2	110.6855	3.968	2	110.6420	2.887	4	110.4078	2.516	49	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]HH)2(NS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SO3)	C[6](C[6]C[6]HH)2(NS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(SO3)	110.5985	2.164	2	110.5985	4.685	2	110.6420	2.887	4	110.4078	2.516	49	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	P[3x6]-4:C[6]-4:	C[6](C[6]C[6]HH)2(NP[3x6])(H)	C[6](C[6]C[6]HN)2(H)2	N(P[3x6]N[6,6]3)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NP[3x6])(H){1|C<4>,2|H<1>,2|N<2>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	N(P[3x6]N[6,6]3)(C[6]C[6]2H)	110.0742	0.552	6	110.0742	0.304	6	110.0742	0.304	6	110.4078	2.516	49	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:2:1:	3:4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[5]-3:C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[5])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[5])(H)	N(C[5]C[5,6a]C[5])(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[5])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[5])(H){1|C<4>,4|H<1>}	N(C[5]C[5,6a]C[5])(C[6]C[6]2H)	107.4870	0.796	2	107.4870	0.634	2	107.4870	0.634	2	107.4870	0.634	2	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:2:1:	4:2:	C[3,6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-2:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NN)(H)	C[6](C[6]C[3,6]HN)(C[6]C[6]BrH)(OH)(H)	N(C[6]C[3,6]C[6]H)(NN)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NN)(H){1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[3,6]HN)(C[6]C[6]BrH)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[3,6]C[6]H)(NN)	107.5605	2.032	2	107.5605	4.127	2	107.5605	4.127	2	109.9205	7.835	52	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:2:1:	4:2:	C[5,6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-2:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NN)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	N(C[6]C[5,6]C[6]H)(NN)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NN)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N(C[6]C[5,6]C[6]H)(NN)	110.6580	3.306	2	110.6580	10.932	2	110.4890	6.784	4	109.9205	7.835	52	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:2:1:	4:2:	C[5,6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-2:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NN)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	N(C[6]C[5,6]C[6]H)(NN)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[5,6]C[6]H)(NN)	112.4770	0.000	1	112.4770	0.000	1	110.4890	6.784	4	109.9205	7.835	52	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:2:1:	4:2:	C[5,6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-2:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NN)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OH)(H)	N(C[6]C[5,6]C[6]H)(NN)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[5,6]C[6]H)(NN)	108.1630	0.000	1	108.1630	0.000	1	110.4890	6.784	4	109.9205	7.835	52	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:2:1:	4:2:	C[6,6]-4:C[6]-4:N-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-2:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(NN)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HN)(OH)(H)	N(C[6]C[6,6]C[6]H)(NN)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(NN)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HN)(OH)(H){3|H<1>,5|C<4>}	N(C[6]C[6,6]C[6]H)(NN)	111.1210	0.000	1	111.1210	0.000	1	111.1210	0.000	1	109.9205	7.835	52	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:2:1:	4:2:	C[6,6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NN)(H)	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NN)(H)	N(C[6]C[6,6]C[6]H)(NN)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NN)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6,6]C[6]H)(NN)	107.3775	0.829	2	107.3775	0.688	2	107.3775	0.688	2	109.9205	7.835	52	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:2:1:	4:2:	C[6,6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-2:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(NN)(H)	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(OH)(H)	N(C[6]C[6,6]C[6]H)(NN)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(NN)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6,6]C[6]H)(NN)	110.0040	0.000	1	110.0040	0.000	1	107.6600	10.989	2	109.9205	7.835	52	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:2:1:	4:2:	C[6,6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-2:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(NN)(H)	C[6](C[6]C[6,6]HN)(C[6]O[6]HS)(OH)(H)	N(C[6]C[6,6]C[6]H)(NN)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(NN)(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HN)(C[6]O[6]HS)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6,6]C[6]H)(NN)	105.3160	0.000	1	105.3160	0.000	1	107.6600	10.989	2	109.9205	7.835	52	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:2:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-2:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(NN)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HN)(OC)(H)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(NN)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HN)(OC)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	N(C[6]C[6]2H)(NN)	111.0740	0.000	1	111.0740	0.000	1	111.0740	0.000	1	109.9205	7.835	52	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:2:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6,6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NN)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NN)(H)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NN)(H){2|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(NN)	113.1945	2.268	2	113.1945	5.142	2	113.1945	5.142	2	109.9205	7.835	52	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:2:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-2:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NN)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC[6a])(H)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC[6a])(H){2|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(NN)	105.7550	0.000	1	105.7550	0.000	1	110.8552	11.488	13	109.9205	7.835	52	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:2:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-2:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NN)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(NN)	109.1535	2.853	2	109.1535	8.141	2	110.8552	11.488	13	109.9205	7.835	52	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:2:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-2:	C[6](C[6]C[6,6]HO)2(NN)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6,6]HO)2(NN)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(NN)	112.7901	2.476	8	112.7901	6.132	8	110.8552	11.488	13	109.9205	7.835	52	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:2:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-2:	C[6](C[6]C[6,6]HO)2(NN)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6,6]HO)2(NN)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(NN)	107.3675	0.841	2	107.3675	0.707	2	110.8552	11.488	13	109.9205	7.835	52	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:2:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NN)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NN)(H)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NN)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NN)(H){1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(NN)	106.0300	0.000	1	106.0300	0.000	1	106.9557	3.409	4	109.9205	7.835	52	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:2:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NN)(H)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NN)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NN)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N(C[6]C[6]2H)(NN)	105.5850	0.000	1	105.5850	0.000	1	106.9557	3.409	4	109.9205	7.835	52	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:2:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HN)(C[6]O[6]CN)(NN)(H)	C[6](C[6]C[6]HN)2(NN)(H)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HN)(C[6]O[6]CN)(NN)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HN)2(NN)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N(C[6]C[6]2H)(NN)	109.6620	0.000	1	109.6620	0.000	1	106.9557	3.409	4	109.9205	7.835	52	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:2:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HN)2(NN)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CN)(NN)(H)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HN)2(NN)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]CN)(NN)(H){1|C<4>,1|H<1>,1|N<3>}	N(C[6]C[6]2H)(NN)	106.5460	0.000	1	106.5460	0.000	1	106.9557	3.409	4	109.9205	7.835	52	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:2:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-2:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(NN)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HN)(OH)(H)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(NN)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HN)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]2H)(NN)	105.5430	0.000	1	105.5430	0.000	1	110.0566	5.174	21	109.9205	7.835	52	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:2:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(NN)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(NN)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(NN)	109.3470	0.024	2	109.3470	0.001	2	110.0566	5.174	21	109.9205	7.835	52	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:2:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NN)(H)	C[6](C[6]C[6]HN)2(OH)(H)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NN)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)2(OH)(H){1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)(NN)	105.6810	0.000	1	105.6810	0.000	1	110.0566	5.174	21	109.9205	7.835	52	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:2:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NN)(H)	C[6](C[6]C[6]HN)2(OC)(H)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NN)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)2(OC)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N(C[6]C[6]2H)(NN)	110.4120	0.000	1	110.4120	0.000	1	110.0566	5.174	21	109.9205	7.835	52	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:2:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NN)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(NN)	109.9370	0.998	7	109.9370	0.995	7	110.0566	5.174	21	109.9205	7.835	52	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:2:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NN)(H)	C[6](C[6]C[6]HN)2(OC)(H)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NN)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HN)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(NN)	109.4080	0.000	1	109.4080	0.000	1	110.0566	5.174	21	109.9205	7.835	52	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:2:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HO)(C[6]O[6]CN)(NN)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HO)(C[6]O[6]CN)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N(C[6]C[6]2H)(NN)	114.4690	0.000	1	114.4690	0.000	1	110.0566	5.174	21	109.9205	7.835	52	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:2:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HO)(C[6]O[6]CN)(NN)(H)	C[6](C[6]C[6]HN)2(OC)(H)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HO)(C[6]O[6]CN)(NN)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HN)2(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N(C[6]C[6]2H)(NN)	110.5320	0.000	1	110.5320	0.000	1	110.0566	5.174	21	109.9205	7.835	52	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:2:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NN)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	N(C[6]C[6]2H)(NN)	114.3180	0.000	1	114.3180	0.000	1	110.0566	5.174	21	109.9205	7.835	52	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:2:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NN)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(NN)	111.9530	0.510	3	111.9530	0.260	3	110.0566	5.174	21	109.9205	7.835	52	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:2:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NN)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	N(C[6]C[6]2H)(NN)	107.5200	0.000	1	107.5200	0.000	1	110.0566	5.174	21	109.9205	7.835	52	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:2:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-2:	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(NN)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	N(C[6]C[6]2H)(NN)	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(NN)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(NN)	109.1930	0.000	1	109.1930	0.000	1	110.0566	5.174	21	109.9205	7.835	52	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	N(C[6]C[6]2H)(CCC)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCC)	110.9968	0.563	6	110.9968	0.317	6	109.1345	1.282	278	109.1756	1.341	287	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	N(C[6]C[6]2H)(CC[5]O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[5]O)	112.4350	0.000	1	112.4350	0.000	1	109.1345	1.282	278	109.1756	1.341	287	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	N(C[6]C[6]2H)(CC[5a]H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[5a]H)	110.5615	1.018	11	110.5615	1.036	11	109.1345	1.282	278	109.1756	1.341	287	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	N(C[6]C[6]2H)(CC[6a]C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]C)	108.8919	1.235	11	108.8919	1.526	11	109.1345	1.282	278	109.1756	1.341	287	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]H)	109.0260	1.045	248	109.0260	1.092	248	109.1345	1.282	278	109.1756	1.341	287	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	N(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]O)	108.5550	0.000	1	108.5550	0.000	1	109.1345	1.282	278	109.1756	1.341	287	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC[6])(H)	N(C[6]C[6]2H)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC[6])(H){1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)(CCH)	109.8303	1.067	4	109.8303	1.138	4	110.4453	1.676	9	109.1756	1.341	287	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NC)(H)	C[6](C[6]C[6]HI)(C[6]C[6]HN)(OC)(H)	N(C[6]C[6]2H)(CN[5a]C)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NC)(H){1|C<4>,1|H<1>,1|I<1>}	C[6](C[6]C[6]HI)(C[6]C[6]HN)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(CN[5a]C)	109.7240	0.000	1	109.7240	0.000	1	110.4453	1.676	9	109.1756	1.341	287	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(CC[6a]H)	110.0970	0.361	2	110.0970	0.130	2	110.4453	1.676	9	109.1756	1.341	287	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(NC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	N(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(NC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(CCO)	112.3845	0.261	2	112.3845	0.068	2	110.4453	1.676	9	109.1756	1.341	287	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(NC)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	N(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6]HO)2(NC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]2H)(CCHH)	108.8440	0.000	1	108.8440	0.000	1	111.0735	9.941	2	111.0735	9.941	2	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(NC)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H)	N(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6]HO)2(NC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]2H)(CCHH)	113.3030	0.000	1	113.3030	0.000	1	111.0735	9.941	2	111.0735	9.941	2	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:2:2:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-4:O[6]-2:N-2:	C[6]-4:N-2:	C[6](C[6]C[6]HH)(C[6]O[6]CN)(NN)(H)	C[6](C[6]C[6]HN)(CC[6a]2O)(O[6]C[6])(NN)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HH)(C[6]O[6]CN)(NN)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(CC[6a]2O)(O[6]C[6])(NN){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(NN)	107.8960	0.000	1	107.8960	0.000	1	107.8960	0.000	1	107.8960	0.000	1	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:3:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:N-2:	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NN)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NHS)(H)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NHS)(H){2|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(NN)	110.6920	0.000	1	110.6920	0.000	1	110.6920	0.000	1	110.4825	0.758	4	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:3:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-2:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	N(C[6]C[6]2H)(CS)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CS)	109.2120	0.000	1	109.2120	0.000	1	109.2120	0.000	1	110.4825	0.758	4	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:3:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(NN)	110.8490	0.000	1	110.8490	0.000	1	111.0130	0.054	2	110.4825	0.758	4	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:3:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HN)2(NN)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NCH)(H)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HN)2(NN)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NCH)(H){1|C<4>,1|H<1>,1|N<2>}	N(C[6]C[6]2H)(NN)	111.1770	0.000	1	111.1770	0.000	1	111.0130	0.054	2	110.4825	0.758	4	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:3:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	N(C[6]C[6]2H)(CNO)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CNO)	111.7930	0.000	1	111.7930	0.000	1	110.0480	1.524	9	109.6397	1.480	14	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:3:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	N(C[6]C[6]2H)(CNS)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CNS)	110.7520	0.000	1	110.7520	0.000	1	110.0480	1.524	9	109.6397	1.480	14	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:3:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	N(C[6]C[6]2H)(CCN)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCN)	111.8620	0.000	1	111.8620	0.000	1	110.0480	1.524	9	109.6397	1.480	14	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:3:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]H)	109.7817	0.172	3	109.7817	0.030	3	110.0480	1.524	9	109.6397	1.480	14	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:3:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	N(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]O)	109.4900	0.000	1	109.4900	0.000	1	110.0480	1.524	9	109.6397	1.480	14	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:3:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H)	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]H)	108.5950	0.745	2	108.5950	0.555	2	110.0480	1.524	9	109.6397	1.480	14	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:3:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H)	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	N(C[6]C[6]2H)(CC[6a]H)	108.8220	1.373	2	108.9048	0.713	5	108.9048	0.713	5	109.6397	1.480	14	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:3:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H)	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]H)	109.7420	0.000	1	108.9048	0.713	5	108.9048	0.713	5	109.6397	1.480	14	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:3:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H)	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]H)	108.4530	0.000	1	108.9048	0.713	5	108.9048	0.713	5	109.6397	1.480	14	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:3:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H)	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H){1|Rh<6>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]H)	108.6850	0.000	1	108.9048	0.713	5	108.9048	0.713	5	109.6397	1.480	14	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:3:1:	4:4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHP)(H)	N(C[6]C[6]2H)(PC[6a]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHP)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(PC[6a]2N)	112.6090	0.000	1	112.6090	0.000	1	112.6090	0.000	1	112.6090	0.000	1	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:4:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(NN)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HN)(CCHH)(H)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(NN)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HN)(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(NN)	107.3465	0.428	2	107.3465	0.183	2	107.3465	0.183	2	109.5863	15.142	3	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:4:1:	4:2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:O-2:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(SC[6a]OO)(H)	N(C[6]C[6]2H)(OS)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(SC[6a]OO)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(OS)	114.0660	0.000	1	114.0660	0.000	1	114.0660	0.000	1	109.5863	15.142	3	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H)	N(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H){2|H<1>,3|C<4>}	N(C[6]C[6]2H)(CC[6a]O)	109.1760	0.000	1	109.1760	0.000	1	109.8715	0.967	2	110.0957	0.634	3	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(CSiHH)(H)	N(C[6]C[6]2H)(CC[6a]2)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(CSiHH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]2)	110.5670	0.000	1	110.5670	0.000	1	109.8715	0.967	2	110.0957	0.634	3	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H)	N(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]H)	110.5440	0.000	1	110.5440	0.000	1	110.5440	0.000	1	110.0957	0.634	3	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:S-4:	C[6](C[6]C[6a]2C[6])(C[6]C[6]CH)(NS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H)	N(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6a]2C[6])(C[6]C[6]CH)(NS)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H){1|C<4>,2|C<3>,2|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)	111.5310	0.000	1	111.5310	0.000	1	111.5310	0.000	1	111.5310	0.000	1	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:4:2:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:S-3:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC3)(OH)	N(C[6]C[6]2H)(SCO)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC3)(OH){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(SCO)	112.2540	0.000	1	112.2540	0.000	1	112.2540	0.000	1	112.2540	0.000	1	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:1:	4:4:4:4:	4:3:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)2	N(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)2{2|C<4>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]O)	110.5490	0.000	1	110.5490	0.000	1	110.5490	0.000	1	110.5490	0.000	1	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:2:	4:2:1:1:	4:1:	C[6]-4:C[6]-4:N-2:O-2:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O-1:	C[6](C[6]O[6]HH)2(NO)(OC)	C[6](C[6]C[6]NO)(O[6]C[6])(H)2	N(C[6]C[6]2O)(O)	C[6](C[6]O[6]HH)2(NO)(OC){1|C<4>}	C[6](C[6]C[6]NO)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2O)(O)	110.7305	6.017	4	109.5112	25.940	6	109.5112	25.940	6	109.5112	25.940	6	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:2:	4:2:1:1:	4:1:	C[6]-4:C[6]-4:N-2:O-2:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O-1:	C[6](C[6]O[6]HH)2(NO)(OC)	C[6](C[6]C[6]NO)(O[6]C[6])(H)2	N(C[6]C[6]2O)(O)	C[6](C[6]O[6]HH)2(NO)(OC){1|C<4>}	C[6](C[6]C[6]NO)(O[6]C[6])(H)2{1|O<2>,4|H<1>}	N(C[6]C[6]2O)(O)	107.0725	1.805	2	109.5112	25.940	6	109.5112	25.940	6	109.5112	25.940	6	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:2:	4:2:1:1:	4:3:	C[6]-4:C[6]-4:N-2:O-2:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N-3:	C[6](C[6]O[6]HH)2(NN)(OC)	C[6](C[6]C[6]NO)(O[6]C[6])(H)2	N(C[6]C[6]2O)(NC[6]O)	C[6](C[6]O[6]HH)2(NN)(OC){1|C<4>}	C[6](C[6]C[6]NO)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2O)(NC[6]O)	107.6310	4.600	2	107.6310	21.164	2	107.6310	21.164	2	107.6310	21.164	2	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:N-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-1:	C[6](C[6]C[6]HH)2(NO)(OC)	C[6](C[6]C[6]HH)(C[6]C[6]NO)(H)2	N(C[6]C[6]2O)(O)	C[6](C[6]C[6]HH)2(NO)(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]NO)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2O)(O)	106.9690	1.349	2	106.9690	1.820	2	106.9690	1.820	2	106.9690	1.820	2	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:2:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:C-2:N-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HH)2(CN)(NN)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(NC[6])	C[6](C[6]C[6]HH)2(CN)(NN){1|C<4>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2C)(NC[6])	107.4795	1.694	2	107.4795	2.868	2	108.7267	7.025	4	108.7267	7.025	4	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:2:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:C-2:N-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HH)2(CN)(NN)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(NN)	C[6](C[6]C[6]HH)2(CN)(NN){1|C<4>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2C)(NN)	109.9740	3.462	2	109.9740	11.985	2	108.7267	7.025	4	108.7267	7.025	4	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:C-2:N-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(CC)(NC)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(CC[6a]H)	C[6](C[6]C[6]HH)2(CC)(NC){1|C<4>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2C)(CC[6a]H)	107.0395	0.238	4	107.0395	0.057	4	107.9522	3.871	6	107.9522	3.871	6	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:C-2:N-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(CN)(NC)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(CC[6a]O)	C[6](C[6]C[6]HH)2(CN)(NC){1|C<4>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2C)(CC[6a]O)	109.7775	3.031	2	109.7775	9.189	2	107.9522	3.871	6	107.9522	3.871	6	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:2:2:	4:4:2:1:	4:2:	C[6]-4:C-4:O[6]-2:N-2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HN)(CC[6a]2O)(O[6]C[6])(NN)	C[6](C[6]C[6]HH)(C[6]O[6]CN)(NN)(H)	N(C[6]C[6]O[6]C)(NN)	C[6](C[6]C[6]HN)(CC[6a]2O)(O[6]C[6])(NN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CN)(NN)(H){1|C<4>,2|H<1>}	N(C[6]C[6]O[6]C)(NN)	100.3200	0.000	1	100.3200	0.000	1	100.3200	0.000	1	100.3200	0.000	1	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:2:	3:4:2:1:	4:2:	C[6,6]-4:C[6]-4:C[6a]-3:N-2:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:N-2:	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6,6a]HO)(C[6a]C[6a]2)(NN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]N)(OH)(H)	N(C[6]C[6,6]C[6a]C[6])(NN)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6,6a]HO)(C[6a]C[6a]2)(NN){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]N)(OH)(H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	N(C[6]C[6,6]C[6a]C[6])(NN)	109.4270	0.000	1	109.4270	0.000	1	109.4270	0.000	1	109.4270	0.000	1	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:2:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:C-3:N-2:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-1:	C[6](C[6]C[6a]C[6]H)2(COO)(NC)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H)	N(C[6]C[6]2C)(C)	C[6](C[6]C[6a]C[6]H)2(COO)(NC){4|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N(C[6]C[6]2C)(C)	108.3550	1.420	4	108.3550	2.016	4	108.3550	2.016	4	108.3550	2.016	4	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:2:	4:2:1:1:	4:3:	C[6]-4:C[6]-4:C-3:N-2:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]O[6]HH)2(CNO)(NC)	C[6](C[6]C[6]CN)(O[6]C[6])(H)2	N(C[6]C[6]2C)(CC[6]O)	C[6](C[6]O[6]HH)2(CNO)(NC){1|C<4>}	C[6](C[6]C[6]CN)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2C)(CC[6]O)	110.2780	1.696	2	110.2780	2.875	2	110.2780	2.875	2	110.2780	2.875	2	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:2:	4:3:1:1:	4:2:	C[6]-4:C[6]-4:N-3:N-2:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N-2:	C[6](C[6]N[6]HH)2(NOO)(NN)	C[6](C[6]C[6]NN)(N[6]C[6]N)(H)2	N(C[6]C[6]2N)(NN)	C[6](C[6]N[6]HH)2(NOO)(NN){1|C<4>,2|N<3>}	C[6](C[6]C[6]NN)(N[6]C[6]N)(H)2{1|N<3>,4|H<1>}	N(C[6]C[6]2N)(NN)	110.8350	5.351	2	110.8350	28.637	2	110.8350	28.637	2	110.8350	28.637	2	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:2:	4:3:1:1:	4:4:	C[6]-4:C[6]-4:C-3:N-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]HH)2(COO)(NS)	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)2	N(C[6]C[6]2C)(SC[6a]OO)	C[6](C[6]C[6]HH)2(COO)(NS){1|C<3>,3|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	N(C[6]C[6]2C)(SC[6a]OO)	106.5270	0.000	1	106.5270	0.000	1	106.5270	0.000	1	106.5270	0.000	1	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:2:	4:3:4:1:	4:1:	C[5,6]-4:C[6]-4:C-3:N-2:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C-1:	C[6](C[5,6]C[6]S[5]2)(C[6]C[6a]C[6]H)(COO)(NC)	C[6](C[6]C[5,6]CN)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N(C[6]C[5,6]C[6]C)(C)	C[6](C[5,6]C[6]S[5]2)(C[6]C[6a]C[6]H)(COO)(NC){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]CN)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,2|S<2>,3|C<3>}	N(C[6]C[5,6]C[6]C)(C)	109.3620	0.000	1	109.3620	0.000	1	109.3620	0.000	1	109.3620	0.000	1	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:2:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:N-3:N-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NOO)(NN)	C[6](C[6]C[6]CH)(C[6]C[6]NN)(H)2	N(C[6]C[6]2N)(NC[6a])	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NOO)(NN){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]NN)(H)2{2|C<4>,3|H<1>}	N(C[6]C[6]2N)(NC[6a])	118.6390	0.000	1	118.6390	0.000	1	118.6390	0.000	1	118.6390	0.000	1	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:C-3:N-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]HH)2(COO)(NS)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(SC[6a]OO)	C[6](C[6]C[6]HH)2(COO)(NS){1|C<3>,3|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	N(C[6]C[6]2C)(SC[6a]OO)	112.3600	0.000	1	112.3600	0.000	1	112.3600	0.000	1	112.3600	0.000	1	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:2:	4:4:4:1:	4:2:	C[5,6]-4:C[6]-4:C-3:N-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-2:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(CHO)(NN)	C[6](C[6]C[5,6]CN)(C[6]C[5,6]HO)(CHHO)(H)	N(C[6]C[5,6]C[6]C)(NN)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(CHO)(NN){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]CN)(C[6]C[5,6]HO)(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	N(C[6]C[5,6]C[6]C)(NN)	106.3950	0.000	1	106.3950	0.000	1	106.3950	0.000	1	107.7860	3.870	2	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:3:2:	4:4:4:1:	4:2:	C[6]-4:C[6]-4:N-3:N-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NOO)(NN)	C[6](C[6]C[6]HH)(C[6]C[6]NN)(CCCH)(H)	N(C[6]C[6]2N)(NC[6a])	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NOO)(NN){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]NN)(CCCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2N)(NC[6a])	109.1770	0.000	1	109.1770	0.000	1	109.1770	0.000	1	107.7860	3.870	2	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:2:	2:4:1:1:	4:2:	C[6]-4:C[6]-4:C-4:N-2:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:N-2:	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CH3)(NN)	C[6](O[6]C[6,6a])(C[6]C[6]CN)(H)2	N(C[6]C[6]2C)(NN)	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CH3)(NN){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CN)(H)2{1|H<1>,3|C<3>}	N(C[6]C[6]2C)(NN)	109.5300	0.000	1	109.5300	0.000	1	109.5300	0.000	1	109.5300	0.000	1	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:2:	3:4:1:1:	4:2:	C[6,6]-4:C[6]-4:C-4:N-2:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N-2:	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(CCCH)(NN)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CN)(H)2	N(C[6]C[6,6]C[6]C)(NN)	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(CCCH)(NN){3|H<1>,4|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CN)(H)2{4|C<4>,4|H<1>}	N(C[6]C[6,6]C[6]C)(NN)	105.3950	0.000	1	105.3950	0.000	1	105.3950	0.000	1	105.3950	0.000	1	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:2:	3:4:3:1:	4:2:	C[6]-4:C[6]-4:C-4:N-2:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:N-2:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)(NN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H)	N(C[6]C[6]2C)(NN)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)(NN){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H){1|C<4>,2|C<3>,3|H<1>}	N(C[6]C[6]2C)(NN)	105.3600	0.000	1	105.3600	0.000	1	105.6210	0.136	2	103.1314	5.359	5	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:2:	3:4:3:1:	4:2:	C[6]-4:C[6]-4:C-4:N-2:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:N-2:	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CH3)(NN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H)	N(C[6]C[6]2C)(NN)	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CH3)(NN){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H){1|O<2>,2|C<3>,3|H<1>}	N(C[6]C[6]2C)(NN)	105.8820	0.000	1	105.8820	0.000	1	105.6210	0.136	2	103.1314	5.359	5	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:2:	3:4:3:1:	4:2:	C[6]-4:C[6]-4:C-4:N-2:	N[4,6]-3:C[6]-4:C-3:H-1:	C[6]-4:N-2:	C[6](C[6]N[4,6]CH)(C[6]S[6]HH)(CH3)(NN)	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]CN)(COO)(H)	N(C[6]C[6]2C)(NN)	C[6](C[6]N[4,6]CH)(C[6]S[6]HH)(CH3)(NN){1|C<3>,1|C<4>,2|O<1>}	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]CN)(COO)(H){1|C<4>,1|O<1>,1|S<4>,3|H<1>}	N(C[6]C[6]2C)(NN)	101.4717	0.565	3	101.4717	0.319	3	101.4717	0.319	3	103.1314	5.359	5	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:2:	4:2:1:1:	4:2:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(NN)	C[6](C[6]C[6]CN)(O[6]C[6])(H)2	N(C[6]C[6]2C)(NN)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(NN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]CN)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	N(C[6]C[6]2C)(NN)	110.7170	0.000	1	110.7170	0.000	1	110.7170	0.000	1	110.7170	0.000	1	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:N-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NC)	C[6](C[6]C[6,6]CN)(C[6]C[6,6]HH)(H)2	N(C[6]C[6,6]C[6]C)(C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NC){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CN)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>}	N(C[6]C[6,6]C[6]C)(C)	106.8160	0.683	3	106.8160	0.466	3	106.8160	0.466	3	106.8160	0.466	3	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:2:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-2:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)(NN)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CN)(H)2	N(C[6]C[6]2C)(NN)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)(NN){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CN)(H)2{1|H<1>,3|C<3>}	N(C[6]C[6]2C)(NN)	110.2310	0.000	1	110.2310	0.000	1	110.4912	14.216	4	110.9730	7.598	7	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:2:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HN)(NN)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(NN)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HN)(NN){1|C<4>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2C)(NN)	113.2405	0.159	2	113.2405	0.025	2	110.4912	14.216	4	110.9730	7.598	7	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:2:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(NN)	C[6](C[6]C[6]CN)(C[6]C[6]HN)(H)2	N(C[6]C[6]2C)(NN)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(NN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]CN)(C[6]C[6]HN)(H)2{1|O<1>,1|O<2>,2|H<1>}	N(C[6]C[6]2C)(NN)	105.2530	0.000	1	105.2530	0.000	1	110.4912	14.216	4	110.9730	7.598	7	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:2:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:C-4:N-2:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-2:	C[6](C[6]N[4,6]CH)(C[6]S[6]HH)(CH3)(NN)	C[6](S[6]C[4,6]OO)(C[6]C[6]CN)(H)2	N(C[6]C[6]2C)(NN)	C[6](C[6]N[4,6]CH)(C[6]S[6]HH)(CH3)(NN){1|C<3>,1|C<4>,2|O<1>}	C[6](S[6]C[4,6]OO)(C[6]C[6]CN)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N(C[6]C[6]2C)(NN)	111.6153	0.620	3	111.6153	0.385	3	111.6153	0.385	3	110.9730	7.598	7	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:2:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:C-4:N-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(NC)	C[6](C[6]C[6,6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6,6]C[6]C)(CC[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(NC){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CN)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	N(C[6]C[6,6]C[6]C)(CC[6a]H)	105.9060	0.000	1	105.9060	0.000	1	105.9060	0.000	1	107.9083	4.394	3	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(CH3)(NC)	C[6](C[6]C[6]BrH)(C[6]C[6]CN)(H)2	N(C[6]C[6]2C)(CCO)	C[6](C[6]C[6]HH)2(CH3)(NC){1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]CN)(H)2{1|Br<1>,1|C<4>,3|H<1>}	N(C[6]C[6]2C)(CCO)	110.0870	0.000	1	110.0870	0.000	1	108.9095	2.773	2	107.9083	4.394	3	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(CH3)(NC)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(CCO)	C[6](C[6]C[6]HH)2(CH3)(NC){1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,3|H<1>}	N(C[6]C[6]2C)(CCO)	107.7320	0.000	1	107.7320	0.000	1	108.9095	2.773	2	107.9083	4.394	3	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:C-4:N-2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CH3)(NS)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CN)(H)2	N(C[6]C[6]2C)(SC[6a]OO)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CH3)(NS){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CN)(H)2{2|H<1>,4|C<4>}	N(C[6]C[6]2C)(SC[6a]OO)	110.2230	0.000	1	110.2230	0.000	1	110.2230	0.000	1	110.2230	0.000	1	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:2:	4:4:2:1:	4:2:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HN)(NN)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OH)(H)	N(C[6]C[6]2C)(NN)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HN)(NN){1|C<4>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2C)(NN)	104.4360	0.182	2	104.4360	0.033	2	104.4360	0.033	2	104.4360	0.033	2	109.3475	3.024	1268	109.3818	3.775	1442
466	466	941	0:SP3_SP2_SP3	C[6]	C[6]	N	4:4:4:2:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:S-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CH3)(NS)	C[6](C[6]C[3,6]HH)(C[6]C[6]CN)(CF3)(H)	N(C[6]C[6]2C)(SC[6a]OO)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CH3)(NS){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CN)(CF3)(H){2|C<4>,3|H<1>}	N(C[6]C[6]2C)(SC[6a]OO)	109.7140	0.000	1	109.7140	0.000	1	109.7140	0.000	1	109.7140	0.000	1	109.3475	3.024	1268	109.3818	3.775	1442
466	466	942	6:SP3_SP-NON_SP3	C[6]	C[6]	Ga[6]	3:4:1:1:	3:4:1:1:	3:4:4:	Ga[6]-3:C[6]-4:H-1:H-1:	Ga[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6](Ga[6]C[6a]C[6])(C[6]Ga[6]HH)(H)2	C[6](Ga[6]C[6a]C[6])(C[6]Ga[6]HH)(H)2	Ga[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](Ga[6]C[6a]C[6])(C[6]Ga[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](Ga[6]C[6a]C[6])(C[6]Ga[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	Ga[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Ga<3>,4|C<3>,4|H<1>}	110.7148	1.844	4	110.7148	3.402	4	110.7148	3.402	4	110.7148	3.402	4	110.5095	7.683	6	110.5095	7.683	6
466	466	942	6:SP3_SP-NON_SP3	C[6]	C[6]	Ga[6]	3:4:3:1:	4:3:1:1:	4:3:4:	Ga[6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:Ga[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6](Ga[6]C[6a]C[6])(C[6]Ga[6]HH)(C[6a]C[6a]2)(H)	C[6](C[6]C[6a]Ga[6]H)(Ga[6]C[6a]C[6])(H)2	Ga[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](Ga[6]C[6a]C[6])(C[6]Ga[6]HH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6]C[6a]Ga[6]H)(Ga[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,6|C<3>}	Ga[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|Ga<3>,3|H<1>,7|C<3>}	106.3770	0.000	1	106.3770	0.000	1	106.3770	0.000	1	106.3770	0.000	1	110.5095	7.683	6	110.5095	7.683	6
466	466	942	6:SP3_SP-NON_SP3	C[6]	C[6]	Ga[6]	4:3:1:1:	3:4:3:1:	4:3:4:	C[6]-4:Ga[6]-3:H-1:H-1:	Ga[6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6](C[6]C[6a]Ga[6]H)(Ga[6]C[6a]C[6])(H)2	C[6](Ga[6]C[6a]C[6])(C[6]Ga[6]HH)(C[6a]C[6a]2)(H)	Ga[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6a]Ga[6]H)(Ga[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,6|C<3>}	C[6](Ga[6]C[6a]C[6])(C[6]Ga[6]HH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	Ga[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|Ga<3>,3|H<1>,7|C<3>}	113.8210	0.000	1	113.8210	0.000	1	113.8210	0.000	1	113.8210	0.000	1	110.5095	7.683	6	110.5095	7.683	6
466	466	943	6:SP3_SP-NON_SP3	C[6]	C[6]	Ga[6]	4:4:4:4:	3:4:1:1:	4:2:1:1:	C[6]-4:Ga[4]-4:Ga[6]-4:Si-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:Br[6]-2:Cl-1:Cl-1:	C[6](C[6]C[6,6a]HH)(Ga[4]Cl[4]2Cl)(Ga[6]Br[6]Cl2)(SiC3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]Ga[4]Ga[6]Si)(H)2	Ga[6](C[6]Ga[4]C[6]Si)(Br[6]C[6,6a])(Cl)2	C[6](C[6]C[6,6a]HH)(Ga[4]Cl[4]2Cl)(Ga[6]Br[6]Cl2)(SiC3){1|Ga<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]Ga[4]Ga[6]Si)(H)2{1|Br<2>,2|Cl<2>,3|Cl<1>,1|H<1>,2|C<3>}	Ga[6](C[6]Ga[4]C[6]Si)(Br[6]C[6,6a])(Cl)2{1|Cl<1>,2|Cl<2>,2|C<3>,2|H<1>}	108.7080	0.000	1	108.7080	0.000	1	108.7080	0.000	1	108.7080	0.000	1	108.7080	0.000	1	108.7080	0.000	1
466	466	944	0:SP3_SP-NON_SP3	C[3x6]	C[5x6]	I	4:4:4:1:	4:4:4:4:	4:	C[5x6]-4:C[6,6]-4:C[6,6]-4:I-1:	C[5x6]-4:C[3x6]-4:C[6,6]-4:C[6,6]-4:	C[3x6]-4:	C[3x6](C[5x6]C[5x6]C[6,6]2)(C[6,6]C[3x6]HH)2(I)	C[5x6](C[5x6]C[3x6]C[6,6]2)(C[3x6]C[6,6]2I)(C[6,6]C[3x6]HH)2	I(C[3x6]C[5x6]C[6,6]2)	C[3x6](C[5x6]C[5x6]C[6,6]2)(C[6,6]C[3x6]HH)2(I){6|C<4>,6|H<1>}	C[5x6](C[5x6]C[3x6]C[6,6]2)(C[3x6]C[6,6]2I)(C[6,6]C[3x6]HH)2{10|H<1>,1|I<1>,5|C<4>}	I(C[3x6]C[5x6]C[6,6]2)	111.3670	0.000	1	111.3670	0.000	1	111.3670	0.000	1	111.3670	0.000	1	111.3670	0.000	1	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	I	4:4:4:1:	4:4:1:1:	4:	C[5x6]-4:C[6,6]-4:C[6,6]-4:I-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5x6]C[5x6]C[6,6]2)(C[6,6]C[3x6]HH)2(I)	C[6,6](C[3x6]C[5x6]C[6,6]I)(C[3x6]C[6,6]2H)(H)2	I(C[3x6]C[5x6]C[6,6]2)	C[3x6](C[5x6]C[5x6]C[6,6]2)(C[6,6]C[3x6]HH)2(I){6|C<4>,6|H<1>}	C[6,6](C[3x6]C[5x6]C[6,6]I)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	I(C[3x6]C[5x6]C[6,6]2)	106.0085	0.885	2	106.0085	0.783	2	106.0085	0.783	2	108.0953	2.832	9	108.1339	2.273	11	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	I	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:I-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(I)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2I)(H)2	I(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(I){1|I<1>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2I)(H)2{1|O<2>,2|C<4>,7|H<1>}	I(C[3x6]C[6,6]3)	108.8910	0.374	4	108.8910	0.140	4	108.6916	1.779	7	108.0953	2.832	9	108.1339	2.273	11	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	I	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:I-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(I)	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2I)(H)2	I(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(I){1|Br<1>,1|Cl<1>,1|F<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2I)(H)2{2|C<4>,8|H<1>}	I(C[3x6]C[6,6]3)	106.7570	0.000	1	106.7570	0.000	1	108.6916	1.779	7	108.0953	2.832	9	108.1339	2.273	11	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	I	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:I-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(I)	C[6,6](C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2I)(H)2	I(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(I){1|Br<1>,1|Cl<1>,1|F<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2I)(H)2{2|C<4>,8|H<1>}	I(C[3x6]C[6,6]3)	107.5710	0.000	1	107.5710	0.000	1	108.6916	1.779	7	108.0953	2.832	9	108.1339	2.273	11	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	I	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:I-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(I)	C[6,6](C[3x6]C[6,6]2F)(C[3x6]C[6,6]2I)(H)2	I(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(I){1|Br<1>,1|Cl<1>,1|F<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2F)(C[3x6]C[6,6]2I)(H)2{2|C<4>,8|H<1>}	I(C[3x6]C[6,6]3)	110.9490	0.000	1	110.9490	0.000	1	108.6916	1.779	7	108.0953	2.832	9	108.1339	2.273	11	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	I	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:I-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(I)	C[6,6](C[3x6]C[6,6]2I)2(OC)(H)	I(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(I){1|I<1>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2I)2(OC)(H){2|C<4>,8|H<1>}	I(C[3x6]C[6,6]3)	108.3075	0.060	2	108.3075	0.004	2	108.3075	0.004	2	108.3075	0.004	2	108.1339	2.273	11	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	I	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:H-1:I-1:	C[4x6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]O[6]H)(C[3x6]C[6,6]2H)(H)(I)	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HI)(O[6]C[6])(H)	I(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]O[6]H)(C[3x6]C[6,6]2H)(H)(I){1|C<3>,2|C<4>,5|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HI)(O[6]C[6])(H){1|O<1>,3|C<4>,4|H<1>}	I(C[6,6]C[3x6]2H)	112.1680	0.000	1	112.1680	0.000	1	112.1680	0.000	1	112.1680	0.000	1	111.4760	0.958	2	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	I	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:I-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]O[6]H)(C[3x6]C[6,6]2H)(H)(I)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HI)(C[6,6]C[6,6]HH)(H)	I(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]O[6]H)(C[3x6]C[6,6]2H)(H)(I){1|C<3>,2|C<4>,5|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HI)(C[6,6]C[6,6]HH)(H){1|O<2>,2|C<4>,4|H<1>}	I(C[6,6]C[3x6]2H)	110.7840	0.000	1	110.7840	0.000	1	110.7840	0.000	1	110.7840	0.000	1	111.4760	0.958	2	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	I	4:4:1:1:	4:3:2:1:	4:	C[6,6]-4:C[6,6]-4:H-1:I-1:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6]O[6]H)(C[6,6]C[6]2H)(H)(I)	C[6,6](C[6,6]C[6,6]HI)(N[6]C[6]C)(O[6]C[6])(H)	I(C[6,6]C[6,6]2H)	C[6,6](C[6,6]N[6]O[6]H)(C[6,6]C[6]2H)(H)(I){2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]HI)(N[6]C[6]C)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	I(C[6,6]C[6,6]2H)	109.3080	0.000	1	109.3080	0.000	1	109.3080	0.000	1	109.3080	0.000	1	111.6975	11.419	2	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	I	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:I-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6]O[6]H)(C[6,6]C[6]2H)(H)(I)	C[6,6](C[6,6]C[6,6]HI)(C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	I(C[6,6]C[6,6]2H)	C[6,6](C[6,6]N[6]O[6]H)(C[6,6]C[6]2H)(H)(I){2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]HI)(C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	I(C[6,6]C[6,6]2H)	114.0870	0.000	1	114.0870	0.000	1	114.0870	0.000	1	114.0870	0.000	1	111.6975	11.419	2	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6,6]	C[6]	I	3:4:3:1:	4:4:4:4:	4:	C[6,6]-3:C[6]-4:C[6]-3:I-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(I)	C[6](C[6,6]C[6,6]C[6]I)(C[6]C[6]CH)(CH3)2	I(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(I){1|Si<4>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]I)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	I(C[6,6]C[6,6]C[6]2)	112.5700	0.000	1	112.5700	0.000	1	112.5700	0.000	1	112.5700	0.000	1	112.5700	0.000	1	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[3x6]	I	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:I-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]O[6]CH)(H)(I)	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]2H)(C[6]C[6]HI)(H)	I(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]O[6]CH)(H)(I){1|H<1>,5|C<3>}	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]2H)(C[6]C[6]HI)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>,3|O<1>}	I(C[6]C[3x6]C[6]H)	110.0450	0.000	1	110.0450	0.000	1	110.0450	0.000	1	110.0450	0.000	1	110.0450	0.000	1	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6,6]	I	4:4:1:1:	2:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:I-1:	Se[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)(I)	C[6,6](Se[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HI)(H)	I(C[6]C[6,6]C[6]H)	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)(I){2|C<4>,4|H<1>}	C[6,6](Se[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HI)(H){2|C<4>,5|H<1>}	I(C[6]C[6,6]C[6]H)	108.4080	0.518	3	108.4080	0.268	3	108.4080	0.268	3	108.4080	0.268	3	108.1063	0.691	6	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6,6]	I	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:I-1:	C[4,6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[4,6,6]O[6]H)(C[6]C[6]HH)(H)(I)	C[6,6](C[4,6,6]C[4,6]2H)(C[6]C[6]HI)(O[6]C[6])(H)	I(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4,6,6]O[6]H)(C[6]C[6]HH)(H)(I){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6]C[6]HI)(O[6]C[6])(H){1|O<1>,3|C<4>,4|H<1>}	I(C[6]C[6,6]C[6]H)	108.4110	0.409	2	108.4110	0.167	2	108.4110	0.167	2	108.4110	0.167	2	108.1063	0.691	6	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6,6]	I	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:I-1:	N[5,6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(I)	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6,6]HH)(C[6]C[6]CI)(H)	I(C[6]C[6,6]C[6]C)	C[6](C[6,6]N[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(I){3|H<1>,4|C<4>}	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6,6]HH)(C[6]C[6]CI)(H){2|S<2>,4|C<4>,4|H<1>}	I(C[6]C[6,6]C[6]C)	106.5920	0.000	1	106.5920	0.000	1	106.5920	0.000	1	106.5920	0.000	1	108.1063	0.691	6	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:I-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)(I)	C[6](C[6]C[6]HO)(C[6]O[6]HI)(OC)(H)	I(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)(I){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HI)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	I(C[6]C[6]O[6]H)	112.0550	0.000	2	112.0550	0.000	2	112.0550	0.000	2	112.0550	0.000	2	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)(I)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2	I(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)(I){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2{1|C<4>,1|O<1>,2|H<1>}	I(C[6]C[6]2H)	110.5590	0.000	1	110.5590	0.000	1	110.5590	0.000	1	109.7690	1.340	3	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:I-1:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(I)2	C[6](C[6]C[6]HH)(C[6]C[6]II)(H)2	I(C[6]C[6]2I)	C[6](C[6]C[6]HH)(C[6]N[6]O)(I)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]II)(H)2{1|N<3>,1|O<1>,2|H<1>}	I(C[6]C[6]2I)	109.3740	1.321	2	109.3740	1.745	2	109.3740	1.745	2	109.7690	1.340	3	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	2:4:4:4:	4:	C[6]-4:C[6]-4:H-1:I-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)(I)	C[6](O[6]C[6,6a])(C[6]C[6]HI)(CH3)2	I(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)(I){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HI)(CH3)2{2|C<3>,2|H<1>}	I(C[6]C[6]2H)	112.1830	0.000	1	112.1830	0.000	1	112.1830	0.000	1	112.1830	0.000	1	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)(I)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HI)(H)2	I(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)(I){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HI)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	I(C[6]C[6]2H)	110.9550	0.000	1	110.9550	0.000	1	110.3500	0.732	2	110.5880	0.912	5	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)(I)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HI)(H)2	I(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)(I){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HI)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	I(C[6]C[6]2H)	109.7450	0.000	1	109.7450	0.000	1	110.3500	0.732	2	110.5880	0.912	5	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)(I)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HI)(H)2	I(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)(I){4|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HI)(H)2{3|C<4>,5|H<1>}	I(C[6]C[6]2H)	110.9555	1.570	2	110.9555	2.466	2	110.9555	2.466	2	110.5880	0.912	5	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)(I)	C[6](N[6]C[6a]C[6])(C[6]C[6]HI)(H)2	I(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)(I){1|S<4>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HI)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	I(C[6]C[6]2H)	110.3290	0.000	1	110.3290	0.000	1	110.3290	0.000	1	110.5880	0.912	5	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)(I)	C[6](C[6a]C[6a]2)(C[6]C[6]HI)(O[6]C[6])(H)	I(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)(I){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HI)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	I(C[6]C[6]2H)	113.9840	0.000	1	113.9840	0.000	1	113.9840	0.000	1	113.9840	0.000	1	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(I)	C[6](C[6]C[6]HI)(O[6]C[6])(OC)(H)	I(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(I){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HI)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	I(C[6]C[6]2H)	108.8730	0.000	1	108.8730	0.000	1	108.8730	0.000	1	108.8730	0.000	1	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:2:4:1:	4:	C[3x6]-4:C[6]-4:H-1:I-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]O[6]CH)(H)(I)	C[6](C[6]C[3x6]HI)(O[6]C[6])(CH3)(H)	I(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]O[6]CH)(H)(I){1|H<1>,5|C<3>}	C[6](C[6]C[3x6]HI)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	I(C[6]C[3x6]C[6]H)	107.3650	0.000	1	107.3650	0.000	1	107.3650	0.000	1	110.7477	6.176	7	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]O[6]CH)(H)(I)	C[6](C[6]C[5,6]HI)(O[6]C[6])(CCHH)(H)	I(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]O[6]CH)(H)(I){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HI)(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	I(C[6]C[5,6]C[6]H)	111.1675	2.454	2	111.1675	6.024	2	111.1675	6.024	2	110.7477	6.176	7	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(H)(I)	C[6](C[6]C[6]HI)(O[6]C[6])(CH3)(H)	I(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(H)(I){1|C<3>,2|H<1>}	C[6](C[6]C[6]HI)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	I(C[6]C[6]2H)	107.9990	0.000	1	107.9990	0.000	1	111.3835	5.872	4	110.7477	6.176	7	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)(I)	C[6](C[6]C[6]HI)(O[6]C[6])(CHHI)(H)	I(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)(I){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HI)(O[6]C[6])(CHHI)(H){1|C<4>,2|H<1>,2|O<2>}	I(C[6]C[6]2H)	113.5860	0.000	1	113.5860	0.000	1	111.3835	5.872	4	110.7477	6.176	7	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]CH)(H)(I)	C[6](C[6]C[6]HI)(O[6]C[6])(CCHH)(H)	I(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]O[6]CH)(H)(I){1|C<3>,1|H<1>}	C[6](C[6]C[6]HI)(O[6]C[6])(CCHH)(H){1|N<3>,1|O<1>,2|H<1>}	I(C[6]C[6]2H)	111.9745	0.783	2	111.9745	0.613	2	111.3835	5.872	4	110.7477	6.176	7	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)(I)	C[6](C[6]C[6]HI)(O[6]C[6])(CCHH)(CH3)	I(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HI)(O[6]C[6])(CCHH)(CH3){1|O<2>,2|C<4>,2|H<1>}	I(C[6]C[6]2H)	111.3260	0.000	1	111.3260	0.000	1	111.3260	0.000	1	111.3260	0.000	1	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)(I)	C[6](C[6]C[6]HI)(N[6]C[6]C)(H)2	I(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)(I){2|C<4>,2|H<1>}	C[6](C[6]C[6]HI)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	I(C[6]C[6]2H)	109.6945	0.029	2	109.6945	0.001	2	110.0265	0.316	4	110.0265	0.316	4	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]CH)(H)(I)	C[6](C[6]C[6]HI)(N[6]C[6]H)(H)2	I(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]O[6]CH)(H)(I){1|C<3>,1|H<1>}	C[6](C[6]C[6]HI)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	I(C[6]C[6]2H)	110.3585	0.712	2	110.3585	0.507	2	110.0265	0.316	4	110.0265	0.316	4	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]O[6]H)(H)(I)	C[6](C[6]C[5,6]HI)(C[6a]C[6a]2)(O[6]C[6])(H)	I(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]O[6]H)(H)(I){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]HI)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	I(C[6]C[5,6]C[6]H)	110.3847	2.273	3	110.3847	5.165	3	110.3847	5.165	3	110.1216	1.999	7	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)(I)	C[6](C[6]C[6]HI)(C[6]C[6]Br)(OC)(H)	I(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)(I){1|Br<1>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HI)(C[6]C[6]Br)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	I(C[6]C[6]2H)	109.9243	0.658	4	109.9243	0.433	4	109.9243	0.433	4	110.1216	1.999	7	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)(I)	C[6](C[6]C[6]HI)(N[6]C[6]S)(CCH)(H)	I(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)(I){1|S<4>,2|C<3>}	C[6](C[6]C[6]HI)(N[6]C[6]S)(CCH)(H){1|N<3>,1|O<1>,2|H<1>}	I(C[6]C[6]2H)	111.1170	0.000	1	111.1170	0.000	1	111.1170	0.000	1	111.1170	0.000	1	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)(I)	C[6](C[6]C[6]HI)(C[6]C[6]O)(CCHH)(H)	I(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)(I){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HI)(C[6]C[6]O)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	I(C[6]C[6]2H)	110.7160	0.000	1	110.7160	0.000	1	110.7160	0.000	1	110.7160	0.000	1	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)(I)	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(H)2	I(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)(I){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	I(C[6]C[5,6]C[6]H)	110.5810	0.000	1	110.4573	0.016	3	110.0931	0.389	13	109.6844	1.711	43	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)(I)	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(H)2	I(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)(I){3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	I(C[6]C[5,6]C[6]H)	110.3955	0.090	2	110.4573	0.016	3	110.0931	0.389	13	109.6844	1.711	43	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6,6a]O[5]2)(C[6]C[6]HH)(H)(I)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HI)(H)2	I(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6,6a]O[5]2)(C[6]C[6]HH)(H)(I){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HI)(H)2{2|C<3>,2|O<2>}	I(C[6]C[5,6]C[6]H)	110.4360	0.000	1	110.4360	0.000	1	110.0931	0.389	13	109.6844	1.711	43	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)(I)	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(H)2	I(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)(I){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	I(C[6]C[5,6]C[6]H)	110.0405	0.371	2	110.0405	0.138	2	110.0931	0.389	13	109.6844	1.711	43	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)(I)	C[6](C[6]C[5,6]HI)(C[6]C[6]HN)(H)2	I(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)(I){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HI)(C[6]C[6]HN)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	I(C[6]C[5,6]C[6]H)	110.7865	0.496	2	110.7865	0.246	2	110.0931	0.389	13	109.6844	1.711	43	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)(I)	C[6](C[6]C[6]N[5]H)(C[6]C[5,6]HI)(H)2	I(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)(I){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[5,6]HI)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	I(C[6]C[5,6]C[6]H)	109.5496	0.568	5	109.5496	0.323	5	110.0931	0.389	13	109.6844	1.711	43	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[4,6,6]O[6]H)(C[6]C[6]HH)(H)(I)	C[6](C[6]C[4,6]HH)(C[6]C[6,6]HI)(H)2	I(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4,6,6]O[6]H)(C[6]C[6]HH)(H)(I){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6,6]HI)(H)2{1|O<2>,2|C<4>,2|H<1>}	I(C[6]C[6,6]C[6]H)	112.0385	0.520	2	112.0385	0.270	2	109.9842	3.677	5	109.6844	1.711	43	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)(I)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HI)(H)2	I(C[6]C[6,6]C[6]H)	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)(I){2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HI)(H)2{1|Se<2>,2|C<4>,2|H<1>}	I(C[6]C[6,6]C[6]H)	108.6147	0.431	3	108.6147	0.186	3	109.9842	3.677	5	109.6844	1.711	43	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)(I)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HI)(H)2	I(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)(I){1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HI)(H)2{3|C<4>,5|H<1>}	I(C[6]C[6]2H)	110.1327	0.919	3	110.1327	0.845	3	109.9916	0.467	5	109.6844	1.711	43	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)(I)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HI)(H)2	I(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)(I){4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HI)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	I(C[6]C[6]2H)	109.7800	0.163	2	109.7800	0.026	2	109.9916	0.467	5	109.6844	1.711	43	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)(I)	C[6](C[6]C[5,6]CC)(C[6]C[6]HI)(H)2	I(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)(I){5|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HI)(H)2{1|C<4>,2|H<1>,2|O<2>}	I(C[6]C[6]2H)	108.9660	0.000	1	108.9660	0.000	1	109.2670	2.318	20	109.6844	1.711	43	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)(I)	C[6](C[6]C[6,6]HH)(C[6]C[6]HI)(H)2	I(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)(I){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HI)(H)2{1|O<2>,4|C<4>}	I(C[6]C[6]2H)	107.1930	0.673	2	107.5293	0.454	4	109.2670	2.318	20	109.6844	1.711	43	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)(I)	C[6](C[6]C[6,6]HH)(C[6]C[6]HI)(H)2	I(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)(I){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HI)(H)2{5|C<4>}	I(C[6]C[6]2H)	107.8655	0.675	2	107.5293	0.454	4	109.2670	2.318	20	109.6844	1.711	43	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)(I)	C[6](C[6]C[6,6]CC)(C[6]C[6]HI)(H)2	I(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)(I){1|O<2>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HI)(H)2{2|C<4>,3|H<1>}	I(C[6]C[6]2H)	110.3777	0.437	3	110.3777	0.191	3	109.2670	2.318	20	109.6844	1.711	43	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)(I)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2	I(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)(I){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2{1|O<2>,4|C<4>}	I(C[6]C[6]2H)	107.7090	0.000	1	107.7090	0.000	1	109.2670	2.318	20	109.6844	1.711	43	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)(I)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2	I(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)(I){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2{1|H<1>,2|C<3>,2|C<4>}	I(C[6]C[6]2H)	111.7740	0.000	1	111.7740	0.000	1	109.2670	2.318	20	109.6844	1.711	43	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)(I)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2	I(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)(I){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2{1|N<3>,2|C<4>,2|H<1>}	I(C[6]C[6]2H)	110.0090	0.000	1	110.0090	0.000	1	109.2670	2.318	20	109.6844	1.711	43	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)(I)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2	I(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)(I){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2{1|C<4>,1|N<3>,3|H<1>}	I(C[6]C[6]2H)	107.4170	0.810	2	107.4170	0.657	2	109.2670	2.318	20	109.6844	1.711	43	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)(I)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2	I(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)(I){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2{1|C<4>,1|O<2>,3|H<1>}	I(C[6]C[6]2H)	110.7770	0.595	2	110.7770	0.354	2	109.2670	2.318	20	109.6844	1.711	43	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)(I)	C[6](C[6]C[6]CH)(C[6]C[6]HI)(H)2	I(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HI)(H)2{2|O<2>,3|C<4>}	I(C[6]C[6]2H)	109.5550	0.000	1	109.5550	0.000	1	109.2670	2.318	20	109.6844	1.711	43	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)(I)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2	I(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)(I){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2{1|C<4>,1|N<3>,3|H<1>}	I(C[6]C[6]2H)	109.7200	0.488	2	109.7200	0.238	2	109.2670	2.318	20	109.6844	1.711	43	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)(I)	C[6](C[6]C[6]HI)(C[6]N[6]CH)(H)2	I(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)(I){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HI)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	I(C[6]C[6]2H)	111.2540	0.000	1	111.2540	0.000	1	109.2670	2.318	20	109.6844	1.711	43	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)(I)	C[6](C[6]C[6]HI)(C[6]N[6]HH)(H)2	I(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)(I){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HI)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	I(C[6]C[6]2H)	108.9960	0.000	1	108.9960	0.000	1	109.2670	2.318	20	109.6844	1.711	43	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)(I)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(OH)(H)	I(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)(I){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	I(C[6]C[5,6]C[6]H)	112.5080	0.000	1	111.9350	0.657	2	111.8082	0.196	5	111.2704	1.298	18	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)(I)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(OH)(H)	I(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)(I){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(OH)(H){1|N<4>,2|C<4>,2|H<1>}	I(C[6]C[5,6]C[6]H)	111.3620	0.000	1	111.9350	0.657	2	111.8082	0.196	5	111.2704	1.298	18	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(H)(I)	C[6](C[6]C[5,6]HI)(C[6]C[5,6]HO)(OH)(H)	I(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(H)(I){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HI)(C[6]C[5,6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	I(C[6]C[5,6]C[6]H)	111.7237	0.194	3	111.7237	0.038	3	111.8082	0.196	5	111.2704	1.298	18	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)(I)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]HI)(OH)(H)	I(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)(I){5|C<4>}	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]HI)(OH)(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	I(C[6]C[6]2H)	109.9150	0.000	1	109.9150	0.000	1	109.9150	0.000	1	111.2704	1.298	18	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)(I)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HI)(OH)(H)	I(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)(I){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HI)(OH)(H){2|C<3>,2|H<1>}	I(C[6]C[6]2H)	110.1380	0.000	1	110.1380	0.000	1	111.1593	1.623	12	111.2704	1.298	18	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)(I)	C[6](C[6]C[6]HI)(C[6]C[6]HN)(OH)(H)	I(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)(I){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HI)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	I(C[6]C[6]2H)	109.0040	0.361	2	109.0040	0.130	2	111.1593	1.623	12	111.2704	1.298	18	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)(I)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(OH)(H)	I(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)(I){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HI)(OH)(H){1|N<3>,4|H<1>}	I(C[6]C[6]2H)	111.8395	0.883	2	111.8395	0.780	2	111.1593	1.623	12	111.2704	1.298	18	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)(I)	C[6](C[6]C[6]HI)(C[6]C[6]HN)(OC)(H)	I(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)(I){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HI)(C[6]C[6]HN)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	I(C[6]C[6]2H)	112.8630	0.000	1	112.8630	0.000	1	111.1593	1.623	12	111.2704	1.298	18	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(I)	C[6](C[6]C[6]HI)(C[6]C[6]HO)(OC)(H)	I(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(I){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HI)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	I(C[6]C[6]2H)	110.3560	0.000	1	110.3560	0.000	1	111.1593	1.623	12	111.2704	1.298	18	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)(I)	C[6](C[6]C[6]HI)(C[6]C[6]HO)(OC)(H)	I(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)(I){1|Br<1>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HI)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	I(C[6]C[6]2H)	111.8438	0.227	4	111.8438	0.051	4	111.1593	1.623	12	111.2704	1.298	18	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)(I)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(OC)(H)	I(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)(I){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HI)(OC)(H){1|O<2>,2|C<3>,2|H<1>}	I(C[6]C[6]2H)	111.4920	0.000	1	111.4920	0.000	1	111.1593	1.623	12	111.2704	1.298	18	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[5,6]N[5,5,6]C[5,5]H)(C[6]C[6a]C[6]H)(H)(I)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(C[6a]C[6a]2)(H)	I(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5,5]H)(C[6]C[6a]C[6]H)(H)(I){2|H<1>,3|C<3>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	I(C[6]C[5,6]C[6]H)	112.1170	0.000	1	112.1170	0.000	1	112.1170	0.000	1	111.6045	0.130	4	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)(I)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(NSS)(H)	I(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)(I){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HI)(NSS)(H){1|C<4>,4|H<1>}	I(C[6]C[6]2H)	111.5135	0.028	2	111.5135	0.001	2	111.4337	0.020	3	111.6045	0.130	4	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(H)(I)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(NCC)(H)	I(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(H)(I){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HI)(NCC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	I(C[6]C[6]2H)	111.2740	0.000	1	111.2740	0.000	1	111.4337	0.020	3	111.6045	0.130	4	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]CH)(H)(I)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HI)(CH3)(H)	I(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]CH)(H)(I){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HI)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	I(C[6]C[5,6]C[6]H)	113.1770	0.000	1	113.1770	0.000	1	113.5325	0.857	6	113.5325	0.857	6	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)(I)	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(CCCH)(H)	I(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)(I){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,3|H<1>}	I(C[6]C[5,6]C[6]H)	113.6036	1.017	5	113.6036	1.034	5	113.5325	0.857	6	113.5325	0.857	6	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)(I)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(CHHO)(NHH)	I(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)(I){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HI)(CHHO)(NHH){1|C<4>,4|H<1>}	I(C[6]C[6]2H)	112.7850	0.000	1	112.7850	0.000	1	112.7850	0.000	1	112.7850	0.000	1	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)(I)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HI)(CH3)2	I(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)(I){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HI)(CH3)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	I(C[6]C[6]2H)	113.5285	0.511	2	113.3805	0.121	4	113.3805	0.121	4	113.4274	0.102	5	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)(I)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HI)(CH3)2	I(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)(I){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HI)(CH3)2{4|C<4>,4|H<1>}	I(C[6]C[6]2H)	113.2325	0.122	2	113.3805	0.121	4	113.3805	0.121	4	113.4274	0.102	5	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)(I)	C[6](C[6]C[6]CH)(C[6]C[6]HI)(CH3)2	I(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)(I){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HI)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	I(C[6]C[6]2H)	113.6150	0.000	1	113.6150	0.000	1	113.6150	0.000	1	113.4274	0.102	5	110.6579	3.124	112	110.3833	3.646	136
466	466	944	0:SP3_SP-NON_SP3	C[6]	C[6]	I	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(I)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]CI)(H)2	I(C[6]C[6,6]C[6]C)	C[6](C[6,6]N[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(I){3|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]CI)(H)2{1|N<3>,2|C<4>,2|H<1>}	I(C[6]C[6,6]C[6]C)	106.1090	0.000	1	106.1090	0.000	1	106.1090	0.000	1	106.1090	0.000	1	110.6579	3.124	112	110.3833	3.646	136
466	466	945	0:SP3_SP3_SP3	C[3x6]	C[6,6]	P	4:4:4:3:	4:4:1:1:	4:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:P-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-4:H-1:	C[3x6](C[6,6]C[3x6]HH)3(PCH)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2	P(C[3x6]C[6,6]3)(CC[5]CH)(H)	C[3x6](C[6,6]C[3x6]HH)3(PCH){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2{2|C<4>,8|H<1>}	P(C[3x6]C[6,6]3)(CC[5]CH)(H)	110.0990	5.411	3	110.0990	29.279	3	110.0990	29.279	3	110.0990	29.279	3	110.2824	30.043	12	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[3x6]	C[6,6]	P	4:4:4:3:	4:4:1:1:	4:4:3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:P-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6]C[3x6]HH)3(PC[3x6]C[6a])	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2	P(C[3x6]C[6,6]3)2(C[6a]C[6a]2)	C[3x6](C[6,6]C[3x6]HH)3(PC[3x6]C[6a]){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2{2|C<4>,8|H<1>}	P(C[3x6]C[6,6]3)2(C[6a]C[6a]2)	110.5953	7.211	6	110.5953	51.998	6	110.5953	51.998	6	110.3436	33.972	9	110.2824	30.043	12	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[3x6]	C[6,6]	P	4:4:4:3:	4:4:1:1:	4:4:3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:P-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:Ga-4:C-3:	C[3x6](C[6,6]C[3x6]HH)3(PGaC)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2	P(C[3x6]C[6,6]3)(GaCl3)(CCH)	C[3x6](C[6,6]C[3x6]HH)3(PGaC){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2{2|C<4>,8|H<1>}	P(C[3x6]C[6,6]3)(GaCl3)(CCH)	109.8400	2.307	3	109.8400	5.324	3	109.8400	5.324	3	110.3436	33.972	9	110.2824	30.043	12	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	3:4:4:1:	4:4:1:1:	5:4:4:	P-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3x3,4,3x5,14x6]-5:C[6]-4:C[6]-4:	C[6](PC[3x3,4,3x5,14x6]C[6])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]2H)2	C[6](PC[3x3,4,3x5,14x6]C[6])(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]2H)2	113.0141	5.846	8	113.0141	34.179	8	113.0141	34.179	8	113.0141	34.179	8	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	3:3:4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6]C[6]HH)2(PC[6a]2)(H)	C[6](C[6]C[6]HP)2(H)2	P(C[6a]C[6a]2)2(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(PC[6a]2)(H){1|C<4>,2|H<1>,2|P<3>}	C[6](C[6]C[6]HP)2(H)2{1|C<4>,4|H<1>}	P(C[6a]C[6a]2)2(C[6]C[6]2H)	109.4070	1.059	6	109.4070	1.123	6	109.4070	1.123	6	109.4070	1.123	6	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	3:4:4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)2(PC[5]C[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[5]C[5,6a]C[5])(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[5]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[5]C[5,6a]C[5])(C[6]C[6]2H)2	112.5625	4.630	4	112.5625	21.440	4	112.5625	21.440	4	111.9754	11.577	83	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	3:4:4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)2(PC[5a]C[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[5a]C[5a]O[5a])(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[5a]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[5a]C[5a]O[5a])(C[6]C[6]2H)2	111.8282	4.153	4	111.8282	17.247	4	111.8282	17.247	4	111.9754	11.577	83	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	3:4:4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]N[6])(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[6]2)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]N[6])(C[6]C[6]2H)2	111.6730	3.381	16	111.6730	11.431	16	111.6730	11.431	16	111.9754	11.577	83	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	3:4:4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)2(PC[6a]C[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[6a]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)2	112.0743	3.470	55	112.0743	12.039	55	112.0276	11.358	59	111.9754	11.577	83	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	3:4:4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)2(PC[6a]C[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6a]N[5a,6a]C[6a])(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[6a]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6a]N[5a,6a]C[6a])(C[6]C[6]2H)2	111.3858	1.512	4	111.3858	2.287	4	112.0276	11.358	59	111.9754	11.577	83	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	4:2:1:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:H-1:	C[6](C[6]C[6]HH)2(PCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)(CW)(H)	C[6](C[6]C[6]HH)2(PCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)(CW)(H)	112.1115	4.200	2	112.1115	17.636	2	112.1115	17.636	2	112.1115	17.636	2	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	4:2:2:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:C-2:	C[6](C[6]C[6]HH)2(PCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)(CC)(CW)	C[6](C[6]C[6]HH)2(PCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)(CC)(CW)	113.4825	4.085	2	113.4825	16.687	2	112.0863	8.162	4	112.0863	8.162	4	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	4:2:2:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:C-2:	C[6](C[6]C[6]HH)2(PCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)(CW)2	C[6](C[6]C[6]HH)2(PCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)(CW)2	110.6900	0.044	2	110.6900	0.002	2	112.0863	8.162	4	112.0863	8.162	4	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(PCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)(CCN)(H)	C[6](C[6]C[6]HH)2(PCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)(CCN)(H)	111.9550	2.666	2	111.9550	7.106	2	111.9550	7.106	2	111.9550	7.106	2	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	4:3:4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-3:P-4:	C[6](C[6]C[6]HH)2(PPP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)(PC[6]P)(PC3)	C[6](C[6]C[6]HH)2(PPP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)(PC[6]P)(PC3)	108.3503	3.397	4	108.3503	11.538	4	108.3503	11.538	4	108.3503	11.538	4	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	4:4:2:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-2:	C[6](C[6]C[6]HH)2(PC[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(CC)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(CC)	111.7303	3.442	4	111.7303	11.845	4	111.7303	11.845	4	111.8563	9.445	8	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	4:4:2:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Se-2:	C[6](C[6]C[6]HH)2(PC[6]Se)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(SeGe[6])	C[6](C[6]C[6]HH)2(PC[6]Se)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(SeGe[6])	111.9823	3.186	4	111.9823	10.152	4	111.9823	10.152	4	111.8563	9.445	8	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B-3:	C[6](C[6]C[6]HH)2(PC[6]B)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(BBrN)	C[6](C[6]C[6]HH)2(PC[6]B)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(BBrN)	110.1988	2.030	4	110.1988	4.119	4	111.4935	9.051	20	111.5234	9.385	126	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B-3:	C[6](C[6]C[6]HH)2(PC[6]B)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(BC[6a]2)	C[6](C[6]C[6]HH)2(PC[6]B)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(BC[6a]2)	113.9823	1.481	4	113.9823	2.194	4	111.4935	9.051	20	111.5234	9.385	126	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B-3:	C[6](C[6]C[6]HH)2(PC[6]B)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(BNP)	C[6](C[6]C[6]HH)2(PC[6]B)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(BNP)	111.0955	3.298	12	111.0955	10.877	12	111.4935	9.051	20	111.5234	9.385	126	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)2(PC[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(CCH)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(CCH)	111.8547	3.482	4	111.8547	12.126	4	111.7612	9.273	40	111.5234	9.385	126	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)2(PC[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(CC[6a]C)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(CC[6a]C)	111.8515	4.717	4	111.8515	22.246	4	111.7612	9.273	40	111.5234	9.385	126	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)2(PC[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(CC[6a]P)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(CC[6a]P)	111.9227	3.150	16	111.9227	9.921	16	111.7612	9.273	40	111.5234	9.385	126	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)2(PC[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(CNN)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(CNN)	111.5537	2.690	16	111.5537	7.236	16	111.7612	9.273	40	111.5234	9.385	126	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[5]-3:	C[6](C[6]C[6]HH)2(PC[5]C[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(C[5]N[5]2)	C[6](C[6]C[6]HH)2(PC[5]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(C[5]N[5]2)	109.3429	1.444	8	109.3429	2.084	8	109.3429	2.084	8	111.5234	9.385	126	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Ge[6]-3:	C[6](C[6]C[6]HH)2(PGe[6]C[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(Ge[6]N[6]2)	C[6](C[6]C[6]HH)2(PGe[6]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(Ge[6]N[6]2)	113.2638	2.482	4	113.2638	6.161	4	113.2638	6.161	4	111.5234	9.385	126	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6](C[6]C[6]HH)2(PC[6]N)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(NCP)	C[6](C[6]C[6]HH)2(PC[6]N)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(NCP)	112.0721	4.141	8	112.0721	17.146	8	111.7383	11.009	20	111.5234	9.385	126	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6](C[6]C[6]HH)2(PC[6]N)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(NC[6a]2)	C[6](C[6]C[6]HH)2(PC[6]N)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(NC[6a]2)	109.8492	1.380	4	109.8492	1.905	4	111.7383	11.009	20	111.5234	9.385	126	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6](C[6]C[6]HH)2(PC[6]N)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(NC[6a]H)	C[6](C[6]C[6]HH)2(PC[6]N)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(NC[6a]H)	112.3490	3.054	8	112.3490	9.326	8	111.7383	11.009	20	111.5234	9.385	126	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-3:	C[6](C[6]C[6]HH)2(PC[6]P)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(PC[6]2)	C[6](C[6]C[6]HH)2(PC[6]P)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(PC[6]2)	111.8531	3.792	8	111.8531	14.378	8	111.7366	11.900	28	111.5234	9.385	126	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-3:	C[6](C[6]C[6]HH)2(PC[6]P)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(PC[6a]P)	C[6](C[6]C[6]HH)2(PC[6]P)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(PC[6a]P)	111.7623	3.596	12	111.7623	12.928	12	111.7366	11.900	28	111.5234	9.385	126	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-3:	C[6](C[6]C[6]HH)2(PC[6]P)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(PN[5a]P)	C[6](C[6]C[6]HH)2(PC[6]P)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(PN[5a]P)	111.5816	3.341	8	111.5816	11.161	8	111.7366	11.900	28	111.5234	9.385	126	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:C-3:	C[6](C[6]C[6]HH)2(PCP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)(PC[6]CO)(CCC)	C[6](C[6]C[6]HH)2(PCP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)(PC[6]CO)(CCC)	110.0737	1.324	6	110.0737	1.754	6	110.0737	1.754	6	111.5234	9.385	126	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	B-4:C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]B)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(BC[6a]2N[6])(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[6]B)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(BC[6a]2N[6])(C[6]C[6]2H)2	112.1103	4.617	4	112.1103	21.321	4	112.1103	21.321	4	112.8891	15.002	130	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)2(PC[5]C[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[5]C[5]2Cr)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[5]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[5]C[5]2Cr)(C[6]C[6]2H)2	112.0823	4.287	4	112.0823	18.379	4	112.4217	13.900	32	112.8891	15.002	130	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)2(PC[5]C[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[5]C[5]2Fe)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[5]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[5]C[5]2Fe)(C[6]C[6]2H)2	112.8976	3.938	16	112.8976	15.505	16	112.4217	13.900	32	112.8891	15.002	130	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)2(PC[5]C[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[5]C[5]2Zr)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[5]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[5]C[5]2Zr)(C[6]C[6]2H)2	111.9002	3.514	12	111.9002	12.348	12	112.4217	13.900	32	112.8891	15.002	130	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)(CC[5]HH)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PCC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{2|C<4>,3|H<1>}	P(C[6]C[6]2H)(CC[5]HH)2	115.6830	0.000	1	115.6830	0.000	1	113.4410	6.488	5	112.8891	15.002	130	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)2(PCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)(CCHH)(CHHN)	C[6](C[6]C[6]HH)2(PCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)(CCHH)(CHHN)	113.8605	3.337	2	113.8605	11.134	2	113.4410	6.488	5	112.8891	15.002	130	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)2(PCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)(CC[5]CH)2	C[6](C[6]C[6]HH)2(PCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)(CC[5]CH)2	111.9005	2.166	2	111.9005	4.691	2	113.4410	6.488	5	112.8891	15.002	130	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B-4:	C[6](C[6]C[6]HH)2(PC[6]B)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(BHHP)	C[6](C[6]C[6]HH)2(PC[6]B)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(BHHP)	112.0349	0.879	7	112.0349	0.772	7	112.0349	0.772	7	112.8891	15.002	130	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(PC[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(CC[5]CC)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(CC[5]CC)	114.7575	5.361	2	114.7575	28.736	2	113.3399	18.685	54	112.8891	15.002	130	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(PC[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(CC[5]CH)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(CC[5]CH)	115.2031	5.006	16	115.2031	25.058	16	113.3399	18.685	54	112.8891	15.002	130	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(PC[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(CC[6a]CH)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(CC[6a]CH)	115.3282	6.908	4	115.3282	47.719	4	113.3399	18.685	54	112.8891	15.002	130	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(PC[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(CC[6a]MnC)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(CC[6a]MnC)	112.8800	4.916	4	112.8800	24.163	4	113.3399	18.685	54	112.8891	15.002	130	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(PC[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(CCrCC)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(CCrCC)	111.7820	3.358	4	111.7820	11.277	4	113.3399	18.685	54	112.8891	15.002	130	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(PC[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(CHHP)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(CHHP)	112.4451	3.129	12	112.4451	9.794	12	113.3399	18.685	54	112.8891	15.002	130	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(PC[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(CMgNN)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(CMgNN)	110.0460	0.805	4	110.0460	0.647	4	113.3399	18.685	54	112.8891	15.002	130	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(PC[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)2(CN[5a]HH)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(CN[5a]HH)	112.2629	3.345	8	112.2629	11.192	8	113.3399	18.685	54	112.8891	15.002	130	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)3	C[6](C[6]C[6]HH)2(PC[6]2)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)3	112.3467	2.532	18	112.3467	6.413	18	112.3467	6.413	18	112.8891	15.002	130	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:P-4:	C[6](C[6]C[6]HH)2(PPP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]2H)(PC3)2	C[6](C[6]C[6]HH)2(PPP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(C[6]C[6]2H)(PC3)2	112.3800	8.392	2	112.3800	70.425	2	112.3800	70.425	2	112.8891	15.002	130	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	Ge[6]-4:C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)2(PGe[6]C[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(Ge[6]N[6]2Se)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PGe[6]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	P(Ge[6]N[6]2Se)(C[6]C[6]2H)2	113.8565	5.342	8	113.8565	28.541	8	113.8565	28.541	8	112.8891	15.002	130	112.0842	12.558	374	112.0281	13.123	386
466	466	945	0:SP3_SP3_SP3	C[6]	C[6]	P	4:4:3:1:	4:4:4:1:	4:4:4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	P(C[6]C[6]2H)(CC[5]HH)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PCC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	P(C[6]C[6]2H)(CC[5]HH)2	112.6900	0.000	1	112.6900	0.000	1	112.6900	0.000	1	112.6900	0.000	1	112.0842	12.558	374	112.0281	13.123	386
466	466	948	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H[6]	4:2:1:1:	3:4:4:4:	4:4:	C[6,6]-4:H[6]-2:H-1:H-1:	C[3x6]-3:C[6]-4:C[6]-4:C-4:	C[3x4,6]-4:C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(H[6]C[3x4,6])(H)2	C[6,6](C[3x6]C[4,4,6,6]C[6,6])(C[6]C[6]HH)(C[6]H[6]HH)(CH3)	H[6](C[3x4,6]C[4,4,6,6]C[4,4,6]H[4,4])(C[6]C[6,6]HH)	C[6](C[6,6]C[3x6]C[6]C)(H[6]C[3x4,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[4,4,6,6]C[6,6])(C[6]C[6]HH)(C[6]H[6]HH)(CH3){2|C<3>,2|H<1>,3|C<4>}	H[6](C[3x4,6]C[4,4,6,6]C[4,4,6]H[4,4])(C[6]C[6,6]HH)	109.9240	0.000	1	109.9240	0.000	1	109.9240	0.000	1	109.9240	0.000	1	109.9240	0.000	1	109.9240	0.000	1
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	3:3:4:1:	4:3:4:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:H-1:	C[3x6]-4:N[5,6]-3:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]N[5,6]H)(H)	C[3x6](C[3x6]C[3x6]N[5,6]H)(N[5,6]C[5,6a]C[5,6])(C[3x6]C[6,6,6a]2H)(H)	H(C[3x6]C[6,6,6a]2C[3x6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]N[5,6]H)(H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[3x6](C[3x6]C[3x6]N[5,6]H)(N[5,6]C[5,6a]C[5,6])(C[3x6]C[6,6,6a]2H)(H){1|H<1>,1|N<3>,8|C<3>}	H(C[3x6]C[6,6,6a]2C[3x6])	112.4530	0.106	8	112.4530	0.011	8	112.4530	0.011	8	112.4530	0.011	8	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6,6a]O)(H)	H(C[3x6]C[6,6,6a]2C[3x6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6,6a]O)(H){1|H<1>,1|O<1>,6|C<3>}	H(C[3x6]C[6,6,6a]2C[3x6])	107.8080	2.956	2	107.8080	8.736	2	110.5463	6.281	6	110.5463	6.281	6	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]O)(H)	H(C[3x6]C[6,6,6a]2C[3x6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	H(C[3x6]C[6,6,6a]2C[3x6])	111.7400	0.219	2	111.9155	0.058	4	110.5463	6.281	6	110.5463	6.281	6	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]O)(H)	H(C[3x6]C[6,6,6a]2C[3x6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]O)(H){1|O<1>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]2C[3x6])	112.0910	0.040	2	111.9155	0.058	4	110.5463	6.281	6	110.5463	6.281	6	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]HH)(H)	H(C[3x6]C[6,6,6a]2C[3x6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H){2|C<4>,5|C<3>,5|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]HH)(H){3|H<1>,6|C<3>}	H(C[3x6]C[6,6,6a]2C[3x6])	111.0640	0.000	1	110.9290	0.036	2	110.9290	0.036	2	110.9290	0.036	2	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]HH)(H)	H(C[3x6]C[6,6,6a]2C[3x6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H){3|C<4>,4|C<3>,5|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]HH)(H){1|C<4>,4|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]2C[3x6])	110.7940	0.000	1	110.9290	0.036	2	110.9290	0.036	2	110.9290	0.036	2	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	3:4:2:1:	4:4:3:2:	4:	C[6,6,6a]-3:C[3x6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[4x6]-4:C[6,6a]-3:O-2:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]C[4x6]O)(O[6,6]C[3x6])(H)	C[3x6](C[3x6]C[6,6,6a]O[6,6]H)(C[4x6]C[4x6]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(OC)	H(C[3x6]C[6,6,6a]C[3x6]O[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]C[4x6]O)(O[6,6]C[3x6])(H){1|H<1>,2|O<2>,3|C<4>,4|C<3>}	C[3x6](C[3x6]C[6,6,6a]O[6,6]H)(C[4x6]C[4x6]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(OC){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	H(C[3x6]C[6,6,6a]C[3x6]O[6,6])	109.9265	0.134	2	109.9265	0.018	2	109.9265	0.018	2	109.9265	0.018	2	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	3:4:4:1:	4:4:3:1:	4:	C[3x6]-3:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]CH)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Br)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]CH)(H){2|Br<1>,1|C<3>,2|C<4>,5|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Br)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[3x6]C[3x6]2C[6])	105.7800	0.000	1	105.7800	0.000	1	106.2813	0.624	3	107.3600	5.070	4	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	3:4:4:1:	4:4:3:1:	4:	C[3x6]-3:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]CH)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]CH)(H){1|Br<1>,1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[3x6]C[3x6]2C[6])	105.8720	0.000	1	105.8720	0.000	1	106.2813	0.624	3	107.3600	5.070	4	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	3:4:4:1:	4:4:3:1:	4:	C[3x6]-3:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(H){2|H<1>,3|C<3>,3|C<4>}	H(C[3x6]C[3x6]2C[6])	107.1920	0.000	1	107.1920	0.000	1	106.2813	0.624	3	107.3600	5.070	4	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6,6a]-3:C[3x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(H)	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H)	H(C[3x6]C[6,6,6a]C[3x6]C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]C[3x6]C[6,6])	110.5960	0.000	1	110.5960	0.000	1	110.5960	0.000	1	107.3600	5.070	4	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	3:4:4:1:	4:4:4:1:	4:	N[5,6,6]-3:C[4x6]-4:C[3x6]-4:H-1:	C[3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](N[5,6,6]C[5,3x6]C[5])(C[4x6]C[6,6]C[6x6]H)(C[3x6]C[4x6]C[6]H)(H)	C[3x6](C[3x6]N[5,6,6]C[4x6]H)(C[4x6]C[5,3x6]C[4x6]O)(C[6]C[6]HH)(H)	H(C[3x6]N[5,6,6]C[3x6]C[4x6])	C[3x6](N[5,6,6]C[5,3x6]C[5])(C[4x6]C[6,6]C[6x6]H)(C[3x6]C[4x6]C[6]H)(H){1|O<2>,7|C<4>,7|H<1>}	C[3x6](C[3x6]N[5,6,6]C[4x6]H)(C[4x6]C[5,3x6]C[4x6]O)(C[6]C[6]HH)(H){5|H<1>,6|C<4>}	H(C[3x6]N[5,6,6]C[3x6]C[4x6])	105.6180	0.000	1	105.6180	0.000	1	105.6180	0.000	1	105.6180	0.000	1	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:3:2:1:	4:4:3:3:	4:	C[3x6]-4:C[3x6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[4x6]-4:C[6,6]-3:C-3:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]C[6,6]C)(C[3x6]C[3x6]C[6])(O[6,6]C[3x6])(H)	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[4x6]C[4x6]O[6,6]H)(C[6,6]C[6,6]C[6])(CCH)	H(C[3x6]C[3x6]2O[6,6])	C[3x6](C[3x6]C[4x6]C[6,6]C)(C[3x6]C[3x6]C[6])(O[6,6]C[3x6])(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[4x6]C[4x6]O[6,6]H)(C[6,6]C[6,6]C[6])(CCH){3|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[3x6]2O[6,6])	110.4510	0.000	1	110.4510	0.000	1	110.4510	0.000	1	110.4510	0.000	1	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:3:2:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H)	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6]C)(H)	H(C[3x6]C[3x6]C[6,6]O[6,6])	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6]C)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	110.7420	0.000	1	110.7420	0.000	1	110.7420	0.000	1	110.7420	0.000	1	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:3:3:1:	4:3:3:1:	4:	C[3x6]-4:N[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H)	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H)	H(C[3x6]C[3x6]N[6,6]2)	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H){1|C<3>,4|C<4>,8|H<1>}	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H){1|O<1>,5|C<4>,6|H<1>}	H(C[3x6]C[3x6]N[6,6]2)	107.0790	0.000	1	106.9595	0.029	2	106.9595	0.029	2	106.9595	0.029	2	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:3:3:1:	4:3:3:1:	4:	C[3x6]-4:N[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H)	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H)	H(C[3x6]C[3x6]N[6,6]2)	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H){1|O<1>,5|C<4>,6|H<1>}	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H){1|C<3>,4|C<4>,8|H<1>}	H(C[3x6]C[3x6]N[6,6]2)	106.8400	0.000	1	106.9595	0.029	2	106.9595	0.029	2	106.9595	0.029	2	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:3:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]C)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[3x6]C[6,6]2)	111.6563	0.338	3	111.6563	0.114	3	111.9432	0.242	6	111.3206	2.915	7	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:3:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[5])(C[6,6]C[6,6]O)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[5]C[6])(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[5])(C[6,6]C[6,6]O)(H){1|C<3>,1|O<2>,2|H<1>,7|C<4>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[5]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,6|C<4>}	H(C[3x6]C[3x6]C[6,6]2)	112.8010	0.000	1	112.8010	0.000	1	111.9432	0.242	6	111.3206	2.915	7	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:3:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|F<1>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)(H){1|F<1>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	111.9150	0.000	1	111.9445	0.002	2	111.9432	0.242	6	111.3206	2.915	7	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:3:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	111.9740	0.000	1	111.9445	0.002	2	111.9432	0.242	6	111.3206	2.915	7	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:3:3:1:	4:4:3:1:	4:	C[3x6]-4:N[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H)	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H)	H(C[3x6]C[3x6]N[6,6]2)	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H){1|O<1>,6|C<4>,6|H<1>}	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H){1|C<3>,4|C<4>,8|H<1>}	H(C[3x6]C[3x6]N[6,6]2)	107.5850	0.000	1	107.5850	0.000	1	107.5850	0.000	1	111.3206	2.915	7	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:3:4:1:	3:3:4:1:	4:	C[3x6]-4:N[5,6]-3:C[3x6]-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]N[5,6]H)(N[5,6]C[5,6a]C[5,6])(C[3x6]C[6,6,6a]2H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]N[5,6]H)(H)	H(C[3x6]C[3x6]2N[5,6])	C[3x6](C[3x6]C[3x6]N[5,6]H)(N[5,6]C[5,6a]C[5,6])(C[3x6]C[6,6,6a]2H)(H){1|H<1>,1|N<3>,8|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]N[5,6]H)(H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	H(C[3x6]C[3x6]2N[5,6])	106.9303	0.693	8	106.9303	0.480	8	106.9303	0.480	8	106.9303	0.480	8	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:3:4:1:	4:3:4:1:	4:	C[3x6]-4:N[5,6]-3:C[3x6]-4:H-1:	C[3x6]-4:N[5,6]-3:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]N[5,6]H)(N[5,6]C[5,6a]C[5,6])(C[3x6]C[6,6,6a]2H)(H)	C[3x6](C[3x6]C[3x6]N[5,6]H)(N[5,6]C[5,6a]C[5,6])(C[3x6]C[6,6,6a]2H)(H)	H(C[3x6]C[3x6]2N[5,6])	C[3x6](C[3x6]C[3x6]N[5,6]H)(N[5,6]C[5,6a]C[5,6])(C[3x6]C[6,6,6a]2H)(H){1|H<1>,1|N<3>,8|C<3>}	C[3x6](C[3x6]C[3x6]N[5,6]H)(N[5,6]C[5,6a]C[5,6])(C[3x6]C[6,6,6a]2H)(H){1|H<1>,1|N<3>,8|C<3>}	H(C[3x6]C[3x6]2N[5,6])	106.9423	0.732	8	106.9423	0.536	8	106.9423	0.536	8	106.9423	0.536	8	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:3:4:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:S[6]-2:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]S[6]H)(C[3x6]C[3x6]C[6])(C[6,6]C[6,6]HH)(H)	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]S[6]H)(S[6]C[5,6])(H)	H(C[3x6]C[3x6]2C[6,6])	C[3x6](C[3x6]C[3x6]S[6]H)(C[3x6]C[3x6]C[6])(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]S[6]H)(S[6]C[5,6])(H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	H(C[3x6]C[3x6]2C[6,6])	110.7730	0.252	2	110.7730	0.063	2	110.7730	0.063	2	110.7730	0.063	2	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:3:4:1:	4:4:3:1:	4:	C[3x6]-4:C[4x6]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[4x6])(C[5,6]C[5,6]C[5]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[4x6]C[5,6]H)(C[6,6]C[6,6]O)(H)	H(C[3x6]C[3x6]C[4x6]C[5,6])	C[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[4x6])(C[5,6]C[5,6]C[5]H)(H){1|Si<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[4x6]C[5,6]H)(C[6,6]C[6,6]O)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[3x6]C[3x6]C[4x6]C[5,6])	105.7160	0.000	1	105.7160	0.000	1	105.7160	0.000	1	107.7733	6.653	3	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,3x6]-4:C[6,6,6a]-3:C[3x6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(H)	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H)	H(C[3x6]C[6,6,6a]C[5,3x6]C[3x6])	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(H){1|O<1>,4|C<3>,4|C<4>,4|H<1>}	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]C[5,3x6]C[3x6])	110.6670	0.000	1	110.6670	0.000	1	110.6670	0.000	1	107.7733	6.653	3	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:N[3x6]-3:C[3x6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6]C[5,6a]C[5]C[6])(N[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(H)	C[3x6](C[3x6]C[5,6]N[3x6]H)(C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]N)(H)	H(C[3x6]C[3x6]C[5,6]N[3x6])	C[3x6](C[5,6]C[5,6a]C[5]C[6])(N[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(H){1|C<4>,1|O<1>,2|N<3>,3|H<1>,7|C<3>}	C[3x6](C[3x6]C[5,6]N[3x6]H)(C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]N)(H){1|H<1>,2|C<4>,5|C<3>}	H(C[3x6]C[3x6]C[5,6]N[3x6])	106.9370	0.000	1	106.9370	0.000	1	106.9370	0.000	1	107.7733	6.653	3	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:3:4:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-3:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CO)(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CO)(H)	H(C[3x6]C[3x6]2C[6,6])	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CO)(H){1|O<1>,2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CO)(H){1|O<1>,2|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[3x6]2C[6,6])	110.1340	0.000	1	110.1340	0.000	1	110.1340	0.000	1	110.3370	0.081	3	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:3:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-3:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]HH)(H)	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){1|C<3>,2|O<1>,3|C<4>,7|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	110.2140	0.000	1	110.2140	0.000	1	110.4385	0.101	2	110.3370	0.081	3	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:3:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-3:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]HH)(H)	C[3x6](C[5,3x6]C[5,3x6]C[6]N[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[6]N[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	110.6630	0.000	1	110.6630	0.000	1	110.4385	0.101	2	110.3370	0.081	3	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:3:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[3x6]-4:H-1:	C[6,6]-4:C[3x6]-4:C[6,6]-4:N-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[3x6]C[6,6]2N)(H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6,6]N[6]2H)(NHO)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[3x6]C[6,6]2N)(H){1|C<3>,1|O<1>,3|C<4>,3|N<3>,5|H<1>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6,6]N[6]2H)(NHO){1|N<2>,3|C<3>,3|H<1>,4|C<4>}	H(C[3x6]C[3x6]C[6,6]2)	109.0360	0.000	1	109.0360	0.000	1	109.0360	0.000	1	109.0360	0.000	1	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:2:1:	4:3:4:1:	4:	C[3x6]-4:C[3x6]-4:S[6]-2:H-1:	C[3x6]-4:C[3x6]-3:C[6,6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]S[6]H)(S[6]C[5,6])(H)	C[3x6](C[3x6]C[3x6]S[6]H)(C[3x6]C[3x6]C[6])(C[6,6]C[6,6]HH)(H)	H(C[3x6]C[3x6]2S[6])	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]S[6]H)(S[6]C[5,6])(H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[3x6](C[3x6]C[3x6]S[6]H)(C[3x6]C[3x6]C[6])(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	H(C[3x6]C[3x6]2S[6])	106.0070	0.061	2	106.0070	0.004	2	106.0070	0.004	2	106.0070	0.004	2	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:S[6]-2:H-1:	C[3x6]-4:C[3x6]-4:S[6]-2:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]S[6]H)(S[6]C[5,6])(H)	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]S[6]H)(S[6]C[5,6])(H)	H(C[3x6]C[3x6]2S[6])	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]S[6]H)(S[6]C[5,6])(H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]S[6]H)(S[6]C[5,6])(H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	H(C[3x6]C[3x6]2S[6])	105.9980	0.140	2	105.9980	0.020	2	105.9980	0.020	2	109.5473	1.037	30	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[4x6]-4:O[6]-2:H-1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]C[6])(H)	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	H(C[3x6]C[3x6]C[4x6]O[6])	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]C[6])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[3x6]C[3x6]C[4x6]O[6])	109.2053	0.214	4	109.5343	0.171	8	109.6550	0.131	14	109.5473	1.037	30	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[4x6]-4:O[6]-2:H-1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]C[6])(H)	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	H(C[3x6]C[3x6]C[4x6]O[6])	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]C[6])(H){2|H<1>,3|C<4>,3|O<2>}	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]C[3x6]C[4x6]O[6])	109.7460	0.165	2	109.5343	0.171	8	109.6550	0.131	14	109.5473	1.037	30	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[4x6]-4:O[6]-2:H-1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]C[6])(H)	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	H(C[3x6]C[3x6]C[4x6]O[6])	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]C[6])(H){2|O<2>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){2|C<4>,2|O<2>,3|H<1>}	H(C[3x6]C[3x6]C[4x6]O[6])	109.9805	0.329	2	109.5343	0.171	8	109.6550	0.131	14	109.5473	1.037	30	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[4x6]-4:O[6]-2:H-1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]S[6])(H)	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	H(C[3x6]C[3x6]C[4x6]O[6])	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]S[6])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<3>,1|C<4>,1|S<3>,2|H<1>,2|O<2>}	H(C[3x6]C[3x6]C[4x6]O[6])	109.7860	0.107	2	109.8160	0.048	6	109.6550	0.131	14	109.5473	1.037	30	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[4x6]-4:O[6]-2:H-1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]S[6])(H)	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	H(C[3x6]C[3x6]C[4x6]O[6])	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]S[6])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<4>,1|S<3>,2|O<2>,3|H<1>}	H(C[3x6]C[3x6]C[4x6]O[6])	109.6485	0.306	2	109.8160	0.048	6	109.6550	0.131	14	109.5473	1.037	30	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[4x6]-4:O[6]-2:H-1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]S[6])(H)	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	H(C[3x6]C[3x6]C[4x6]O[6])	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]S[6])(H){2|C<4>,2|H<1>,2|O<1>,2|O<2>}	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>,2|O<2>}	H(C[3x6]C[3x6]C[4x6]O[6])	110.0135	0.026	2	109.8160	0.048	6	109.6550	0.131	14	109.5473	1.037	30	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[4x6]-4:O[6]-2:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]C[6])(H)	H(C[3x6]C[3x6]C[6,6]O[6,6])	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]C[6])(H){2|H<1>,3|C<4>,3|O<2>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	109.8065	0.203	2	109.9566	0.090	8	109.9466	0.058	14	109.5473	1.037	30	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[4x6]-4:O[6]-2:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]C[6])(H)	H(C[3x6]C[3x6]C[6,6]O[6,6])	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]C[6])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	110.1983	0.171	4	109.9566	0.090	8	109.9466	0.058	14	109.5473	1.037	30	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[4x6]-4:O[6]-2:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]C[6])(H)	H(C[3x6]C[3x6]C[6,6]O[6,6])	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){2|C<4>,2|O<2>,3|H<1>}	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]C[6])(H){2|O<2>,3|C<4>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	109.6235	0.025	2	109.9566	0.090	8	109.9466	0.058	14	109.5473	1.037	30	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[4x6]-4:O[6]-2:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]S[6])(H)	H(C[3x6]C[3x6]C[6,6]O[6,6])	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<3>,1|C<4>,1|S<3>,2|H<1>,2|O<2>}	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]S[6])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	109.8250	0.044	2	109.9332	0.025	6	109.9466	0.058	14	109.5473	1.037	30	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[4x6]-4:O[6]-2:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]S[6])(H)	H(C[3x6]C[3x6]C[6,6]O[6,6])	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>,2|O<2>}	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]S[6])(H){2|C<4>,2|H<1>,2|O<1>,2|O<2>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	109.8845	0.216	2	109.9332	0.025	6	109.9466	0.058	14	109.5473	1.037	30	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[4x6]-4:O[6]-2:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]S[6])(H)	H(C[3x6]C[3x6]C[6,6]O[6,6])	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<4>,1|S<3>,2|O<2>,3|H<1>}	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]S[6])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	110.0900	0.028	2	109.9332	0.025	6	109.9466	0.058	14	109.5473	1.037	30	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:2:1:	4:4:2:4:	4:	C[3x6]-4:C[6,6]-4:S[6]-2:H-1:	C[3x6]-4:C[4,6,6]-4:S[6]-2:C-4:	C[3x6]-4:	C[3x6](C[3x6]C[4,6,6]S[6]C)(C[6,6]C[4,6,6]HH)(S[6]C[5,6])(H)	C[3x6](C[3x6]C[6,6]S[6]H)(C[4,6,6]C[4,6]2H)(S[6]C[5,6])(CH3)	H(C[3x6]C[3x6]C[6,6]S[6])	C[3x6](C[3x6]C[4,6,6]S[6]C)(C[6,6]C[4,6,6]HH)(S[6]C[5,6])(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	C[3x6](C[3x6]C[6,6]S[6]H)(C[4,6,6]C[4,6]2H)(S[6]C[5,6])(CH3){1|C<3>,1|S<2>,3|C<4>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]S[6])	105.8090	0.000	1	105.8090	0.000	1	105.8090	0.000	1	105.8090	0.000	1	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:2:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:O[6]-2:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]C)(C[3x6]C[6,6]2H)(O[6]C[6,6a])(H)	C[3x6](C[3x6]C[3x6]O[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[3x6]C[3x6]2O[6])	C[3x6](C[3x6]C[3x6]C[6]C)(C[3x6]C[6,6]2H)(O[6]C[6,6a])(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[3x6](C[3x6]C[3x6]O[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[3x6]2O[6])	107.6280	0.311	2	107.6280	0.097	2	107.6280	0.097	2	108.6400	3.121	3	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,3x6]-4:C[3x6]-4:O[6]-2:H-1:	C[6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,3x6]O[5]O[6])(C[3x6]C[6,6]2H)(O[6]C[5,3x6])(H)	C[3x6](C[6,6]C[5,6,6]C[6a]H)(C[3x6]C[5,3x6]O[6]H)(C[6,6]C[6,6]H)(H)	H(C[3x6]C[5,3x6]C[3x6]O[6])	C[3x6](C[5,3x6]C[5,3x6]O[5]O[6])(C[3x6]C[6,6]2H)(O[6]C[5,3x6])(H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[5,6,6]C[6a]H)(C[3x6]C[5,3x6]O[6]H)(C[6,6]C[6,6]H)(H){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	H(C[3x6]C[5,3x6]C[3x6]O[6])	110.6640	0.000	1	110.6640	0.000	1	110.6640	0.000	1	108.6400	3.121	3	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:2:1:	4:4:3:2:	4:	C[3x6]-4:C[3x6]-4:O[6]-2:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:C-2:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]C)(C[3x6]C[6,6]2H)(O[6]C[6,6a])(H)	C[3x6](C[3x6]C[3x6]O[6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]O)(CN)	H(C[3x6]C[3x6]2O[6])	C[3x6](C[3x6]C[3x6]C[6]C)(C[3x6]C[6,6]2H)(O[6]C[6,6a])(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[3x6](C[3x6]C[3x6]O[6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]O)(CN){1|C<4>,3|C<3>,4|H<1>}	H(C[3x6]C[3x6]2O[6])	107.6255	0.288	2	107.6255	0.083	2	107.6255	0.083	2	107.7237	0.070	3	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:2:1:	4:4:3:2:	4:	C[3x6]-4:C[6,6]-4:O[6]-2:H-1:	C[3x6]-4:C[4,6,6]-4:C[6]-3:O-2:	C[3x6]-4:	C[3x6](C[3x6]C[4,6,6]C[6]O)(C[6,6]C[4,6,6]HH)(O[6]C[6])(H)	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]C[6]O)(OH)	H(C[3x6]C[3x6]C[6,6]O[6])	C[3x6](C[3x6]C[4,6,6]C[6]O)(C[6,6]C[4,6,6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]C[6]O)(OH){1|C<3>,3|C<4>,5|H<1>}	H(C[3x6]C[3x6]C[6,6]O[6])	107.9200	0.000	1	107.9200	0.000	1	107.9200	0.000	1	107.7237	0.070	3	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:2:1:	4:4:3:4:	4:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[4x6]-4:C[6]-3:C-4:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]C[6]C)(C[6,6]C[5,3x6]HH)(O[6,6]C[6,6])(H)	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[4x6]C[6,6]H)(C[6]N[6]H)(CCHH)	H(C[3x6]C[3x6]C[6,6]O[6,6])	C[3x6](C[3x6]C[4x6]C[6]C)(C[6,6]C[5,3x6]HH)(O[6,6]C[6,6])(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[4x6]C[6,6]H)(C[6]N[6]H)(CCHH){1|C<3>,2|C<4>,5|H<1>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	109.6120	0.000	1	109.6120	0.000	1	109.6120	0.000	1	109.6120	0.000	1	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]C[6]H)2(O[6,6]C[3x6])(H)	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[4x6]C[3x6]O[6,6]O)(C[6]S[6]HH)(H)	H(C[3x6]C[3x6]2O[6,6])	C[3x6](C[3x6]C[4x6]C[6]H)2(O[6,6]C[3x6])(H){2|S<2>,3|C<4>,3|O<2>,4|H<1>}	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[4x6]C[3x6]O[6,6]O)(C[6]S[6]HH)(H){2|H<1>,4|C<4>}	H(C[3x6]C[3x6]2O[6,6])	109.3130	0.000	1	109.3130	0.000	1	109.3365	0.001	2	109.3365	0.001	2	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]C[6]H)2(O[6,6]C[3x6])(H)	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[4x6]O[6,6]2C[6])(C[6]S[6]HH)(H)	H(C[3x6]C[3x6]2O[6,6])	C[3x6](C[3x6]C[4x6]C[6]H)2(O[6,6]C[3x6])(H){2|S<2>,3|C<4>,3|O<2>,4|H<1>}	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[4x6]O[6,6]2C[6])(C[6]S[6]HH)(H){3|H<1>,4|C<4>}	H(C[3x6]C[3x6]2O[6,6])	109.3600	0.000	1	109.3600	0.000	1	109.3365	0.001	2	109.3365	0.001	2	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:2:1:	4:4:4:3:	4:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:C-3:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(H)	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6,6]C[6,6]C[6]H)(CHO)	H(C[3x6]C[3x6]C[6,6]O[6,6])	C[3x6](C[3x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(H){2|H<1>,2|O<2>,5|C<4>}	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6,6]C[6,6]C[6]H)(CHO){5|C<4>,9|H<1>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	109.5250	0.000	1	109.5250	0.000	1	109.5250	0.000	1	109.5250	0.000	1	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:2:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:C-4:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(H)	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6,6]C[6,6]C[6]H)(CH3)	H(C[3x6]C[3x6]C[6,6]O[6,6])	C[3x6](C[3x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(H){2|H<1>,2|O<2>,5|C<4>}	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6,6]C[6,6]C[6]H)(CH3){1|C<3>,4|C<4>,9|H<1>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	109.1515	0.067	2	109.2300	0.021	3	109.1378	0.026	5	108.9283	0.152	10	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:2:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:C-4:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(H)	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6,6]C[6,6]C[6]H)(CH3)	H(C[3x6]C[3x6]C[6,6]O[6,6])	C[3x6](C[3x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(H){2|H<1>,2|O<2>,5|C<4>}	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6,6]C[6,6]C[6]H)(CH3){5|C<4>,9|H<1>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	109.3870	0.000	1	109.2300	0.021	3	109.1378	0.026	5	108.9283	0.152	10	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:2:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:C-4:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6,6]C[6,6]C[6]H)(CH3)	H(C[3x6]C[3x6]C[6,6]O[6,6])	C[3x6](C[3x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6,6]C[6,6]C[6]H)(CH3){1|O<1>,1|O<2>,5|C<4>,6|H<1>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	108.9995	0.005	2	108.9995	0.000	2	109.1378	0.026	5	108.9283	0.152	10	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:2:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[4x6]-4:C[3x6]-4:C[6]-4:C-4:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]C[6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(H)	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6]C[6]HH)(CHHO)	H(C[3x6]C[3x6]C[6,6]O[6,6])	C[3x6](C[3x6]C[4x6]C[6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(H){2|O<2>,3|C<4>,4|H<1>}	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6]C[6]HH)(CHHO){1|C<3>,2|C<4>,8|H<1>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	109.4580	0.000	1	109.4580	0.000	1	109.4580	0.000	1	108.9283	0.152	10	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:2:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:O[6]-2:H-1:	C[3x6]-4:C[4,6,6]-4:C[6]-4:C-4:	C[3x6]-4:	C[3x6](C[3x6]C[4,6,6]C[6]C)(C[6,6]C[4,6,6]HH)(O[6]C[6])(H)	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]O[6]CH)(CH3)	H(C[3x6]C[3x6]C[6,6]O[6])	C[3x6](C[3x6]C[4,6,6]C[6]C)(C[6,6]C[4,6,6]HH)(O[6]C[6])(H){1|O<2>,3|H<1>,5|C<4>}	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]O[6]CH)(CH3){4|C<4>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]O[6])	108.5290	0.369	2	108.5290	0.136	2	108.5290	0.136	2	108.9283	0.152	10	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[3x6]-4:O[6]-2:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6]H)(C[3x6]C[6]3)(O[6]C[6])(H)	C[3x6](C[3x6]C[6,6]O[6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)2	H(C[3x6]C[3x6]C[6,6]O[6])	C[3x6](C[6,6]C[6,6]C[6]H)(C[3x6]C[6]3)(O[6]C[6])(H){10|H<1>,1|N<3>,1|O<2>,3|C<4>}	C[3x6](C[3x6]C[6,6]O[6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)2{4|C<4>,5|H<1>}	H(C[3x6]C[3x6]C[6,6]O[6])	108.5390	0.030	2	108.5390	0.001	2	108.5390	0.001	2	108.9283	0.152	10	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	3:3:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6,6a]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6,6a]O)(H){1|H<1>,1|O<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	H(C[3x6]C[3x6]2C[6])	107.9220	0.025	2	107.9220	0.001	2	107.7877	0.063	6	107.7877	0.063	6	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	3:3:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	H(C[3x6]C[3x6]2C[6])	107.4980	0.140	2	107.7205	0.086	4	107.7877	0.063	6	107.7877	0.063	6	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	3:3:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]O)(H){1|O<1>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	H(C[3x6]C[3x6]2C[6])	107.9430	0.202	2	107.7205	0.086	4	107.7877	0.063	6	107.7877	0.063	6	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	3:3:4:3:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[3x6]C[6,6,6a]2C[6a])(C[3x6]C[3x6]C[6]H)(C[6]C[6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(C[6a]C[6a]2)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[6,6,6a]2C[6a])(C[3x6]C[3x6]C[6]H)(C[6]C[6]H)(H){1|C<4>,4|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(C[6a]C[6a]2){2|C<4>,6|H<1>,7|C<3>}	H(C[3x6]C[3x6]2C[6])	106.3280	0.000	1	106.3280	0.000	1	106.3280	0.000	1	106.3280	0.000	1	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	3:3:4:4:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:C-4:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2C)(C[6]C[6]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(CCHO)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2C)(C[6]C[6]O)(H){1|O<1>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(CCHO){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	H(C[3x6]C[3x6]2C[6])	106.9140	0.614	2	106.9140	0.377	2	106.9140	0.377	2	107.4342	0.578	4	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	3:3:4:4:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:C[5]-4:	C[3x6]-4:	C[3x6](C[3x6]C[6,6,6a]2C[5])(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(C[5]O[5]2H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[6,6,6a]2C[5])(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(C[5]O[5]2H){1|O<1>,3|C<4>,3|H<1>,6|C<3>}	H(C[3x6]C[3x6]2C[6])	107.9545	0.525	2	107.9545	0.276	2	107.9545	0.276	2	107.4342	0.578	4	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	3:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6,6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	H(C[3x6]C[3x6]2C[6])	106.9300	0.000	1	106.9300	0.000	1	106.9300	0.000	1	110.2850	5.147	4	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-3:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Br)(H)	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]CH)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Br)(H){2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]CH)(H){2|Br<1>,1|C<3>,2|C<4>,5|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	111.7160	0.000	1	111.7160	0.000	1	111.4033	0.216	3	110.2850	5.147	4	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-3:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(H)	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]CH)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(H){2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]CH)(H){1|Br<1>,1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	111.6250	0.000	1	111.6250	0.000	1	111.4033	0.216	3	110.2850	5.147	4	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-3:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(H)	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(H){2|H<1>,3|C<3>,3|C<4>}	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	110.8690	0.000	1	110.8690	0.000	1	111.4033	0.216	3	110.2850	5.147	4	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	3:4:4:3:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[6,6,6a]-3:C[6,6]-4:C[3x6]-4:C-3:	C[3x6]-4:	C[3x6](C[3x6]C[6,6,6a]C[6,6]C)(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[3x6]C[3x6]C[6]H)(CC[6a]O)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[6,6,6a]C[6,6]C)(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[3x6]C[3x6]C[6]H)(CC[6a]O){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	H(C[3x6]C[3x6]2C[6])	107.0290	0.000	1	107.0290	0.000	1	107.0290	0.000	1	107.0290	0.000	1	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	3:4:4:4:	4:	C[3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2{1|C<4>,1|N<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.7260	0.000	1	107.3929	0.217	10	107.3929	0.217	10	107.3929	0.217	10	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	3:4:4:4:	4:	C[3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|O<2>,3|C<3>,5|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.6160	0.000	1	107.3929	0.217	10	107.3929	0.217	10	107.3929	0.217	10	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	3:4:4:4:	4:	C[3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.3234	0.501	8	107.3929	0.217	10	107.3929	0.217	10	107.3929	0.217	10	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:2:4:2:	4:	C[6,6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:O[6]-2:C[6]-4:O[6]-2:	C[3x6]-4:	C[3x6](C[6,6]C[6,6a]C[6,6]H)(C[3x6]C[6]O[6]2)(C[6]C[6]O)(H)	C[3x6](C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(O[6]C[6,6])	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[6,6]C[6,6a]C[6,6]H)(C[3x6]C[6]O[6]2)(C[6]C[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(O[6]C[6,6]){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.4715	0.605	2	107.4715	0.366	2	107.4715	0.366	2	107.4715	0.366	2	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:3:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[5]C[6])(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[5])(C[6,6]C[6,6]O)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[5]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,6|C<4>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[5])(C[6,6]C[6,6]O)(H){1|C<3>,1|O<2>,2|H<1>,7|C<4>}	H(C[3x6]C[3x6]2C[6])	108.7920	0.000	1	108.7920	0.000	1	108.7048	0.035	6	108.7070	0.029	7	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:3:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]C)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[3x6]C[3x6]2C[6])	108.5777	0.166	3	108.5777	0.028	3	108.7048	0.035	6	108.7070	0.029	7	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:3:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)(H){1|F<1>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|F<1>,3|C<4>,3|H<1>}	H(C[3x6]C[3x6]2C[6])	108.9540	0.000	1	108.8520	0.021	2	108.7048	0.035	6	108.7070	0.029	7	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:3:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[3x6]C[3x6]2C[6])	108.7500	0.000	1	108.8520	0.021	2	108.7048	0.035	6	108.7070	0.029	7	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:3:3:1:	4:	C[3x6]-4:N[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H)	H(C[3x6]C[3x6]N[6,6]2)	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H){1|C<3>,4|C<4>,8|H<1>}	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H){1|O<1>,6|C<4>,6|H<1>}	H(C[3x6]C[3x6]N[6,6]2)	108.7200	0.000	1	108.7200	0.000	1	108.7200	0.000	1	108.7070	0.029	7	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:3:3:4:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:	C[3x6](C[3x6]C[3,6]C[3x6]H)(C[3x6]C[6,6]2C)(C[6]C[6]C)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]C)(CH3)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3,6]C[3x6]H)(C[3x6]C[6,6]2C)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]C)(CH3){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[3x6]C[3x6]2C[6])	107.8240	0.000	1	107.8240	0.000	1	108.1290	0.093	3	108.1290	0.093	3	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:3:3:4:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:	C[3x6](C[3x6]C[3,6]C[3x6]H)(C[3x6]C[6,6]2C)(C[6]C[6]H)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(CCHH)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3,6]C[3x6]H)(C[3x6]C[6,6]2C)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(CCHH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[3x6]C[3x6]2C[6])	108.2815	0.216	2	108.2815	0.047	2	108.1290	0.093	3	108.1290	0.093	3	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:3:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(H){1|O<1>,4|C<3>,4|C<4>,4|H<1>}	H(C[3x6]C[3x6]2C[6])	106.9030	0.000	1	106.9030	0.000	1	106.9030	0.000	1	109.4297	4.905	3	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:3:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6]-4:N[3x6]-3:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[5,6]N[3x6]H)(C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]N)(H)	C[3x6](C[5,6]C[5,6a]C[5]C[6])(N[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[5,6]N[3x6]H)(C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]N)(H){1|H<1>,2|C<4>,5|C<3>}	C[3x6](C[5,6]C[5,6a]C[5]C[6])(N[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(H){1|C<4>,1|O<1>,2|N<3>,3|H<1>,7|C<3>}	H(C[3x6]C[3x6]C[6,6]2)	110.3510	0.000	1	110.3510	0.000	1	110.3510	0.000	1	109.4297	4.905	3	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[4x6]-3:C[5,6]-4:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[4x6]C[5,6]H)(C[6,6]C[6,6]O)(H)	C[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[4x6])(C[5,6]C[5,6]C[5]H)(H)	H(C[3x6]C[5,6,6]C[3x6]C[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[4x6]C[5,6]H)(C[6,6]C[6,6]O)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[4x6])(C[5,6]C[5,6]C[5]H)(H){1|Si<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[3x6]C[5,6,6]C[3x6]C[6,6])	111.0350	0.000	1	111.0350	0.000	1	111.0350	0.000	1	109.4297	4.905	3	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:3:4:3:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[3x6]-4:C-3:	C[3x6]-4:	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]C)(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(CC[6a]O)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]C)(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(CC[6a]O){1|O<1>,4|C<3>,4|C<4>,4|H<1>}	H(C[3x6]C[3x6]2C[6])	107.0910	0.000	1	107.0910	0.000	1	107.0910	0.000	1	107.0910	0.000	1	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:3:4:4:	4:	C[3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)2	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|O<1>,3|C<3>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.1630	0.000	1	107.1630	0.000	1	107.1630	0.000	1	107.1630	0.000	1	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:O[6]-2:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]O[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[3x6](C[3x6]C[3x6]C[6]C)(C[3x6]C[6,6]2H)(O[6]C[6,6a])(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]O[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]C)(C[3x6]C[6,6]2H)(O[6]C[6,6a])(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	110.7315	0.156	2	110.7315	0.024	2	110.7315	0.024	2	110.8093	0.030	3	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[3x6]-4:O[6]-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]C[6a]H)(C[3x6]C[5,3x6]O[6]H)(C[6,6]C[6,6]H)(H)	C[3x6](C[5,3x6]C[5,3x6]O[5]O[6])(C[3x6]C[6,6]2H)(O[6]C[5,3x6])(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[6,6]C[5,6,6]C[6a]H)(C[3x6]C[5,3x6]O[6]H)(C[6,6]C[6,6]H)(H){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C[3x6](C[5,3x6]C[5,3x6]O[5]O[6])(C[3x6]C[6,6]2H)(O[6]C[5,3x6])(H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	110.9650	0.000	1	110.9650	0.000	1	110.9650	0.000	1	110.8093	0.030	3	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:2:2:	4:	C[4x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]O)(C[6]C[6,6a]O)(H)	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(OH)	H(C[3x6]C[3x6]C[4x6]C[6])	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]O)(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,6|H<1>}	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(OH){1|C<3>,1|O<1>,2|O<2>,4|C<4>}	H(C[3x6]C[3x6]C[4x6]C[6])	107.4650	0.000	1	107.4650	0.000	1	107.4650	0.000	1	107.4650	0.000	1	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2C)(C[6]C[6]O)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]O)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2C)(C[6]C[6]O)(H){1|O<1>,2|H<1>,5|C<3>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	H(C[3x6]C[3x6]2C[6])	106.9385	0.622	2	106.9385	0.386	2	107.4039	0.241	24	108.4632	2.680	57	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6,6a]O)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6,6a]O)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6,6a]O)(H){1|H<1>,1|O<1>,6|C<3>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6,6a]O)(H){1|H<1>,1|O<1>,6|C<3>}	H(C[3x6]C[3x6]2C[6])	108.0285	1.066	2	108.0285	1.136	2	107.4039	0.241	24	108.4632	2.680	57	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]O)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2C)(C[6]C[6]O)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2C)(C[6]C[6]O)(H){1|O<1>,2|H<1>,5|C<3>}	H(C[3x6]C[3x6]2C[6])	107.4515	0.211	2	107.4515	0.045	2	107.4039	0.241	24	108.4632	2.680	57	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]O)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]O)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]O)(H){1|O<1>,2|H<1>,5|C<3>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]O)(H){1|O<1>,2|H<1>,5|C<3>}	H(C[3x6]C[3x6]2C[6])	107.8845	0.163	2	107.8845	0.027	2	107.4039	0.241	24	108.4632	2.680	57	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[3x6]O)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[3x6]O)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[3x6]O)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[3x6]O)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[3x6]C[3x6]2C[6])	107.3628	0.188	8	107.3628	0.035	8	107.4039	0.241	24	108.4632	2.680	57	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]O)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]O)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]O)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]O)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[3x6]C[3x6]2C[6])	107.1760	0.229	2	107.1760	0.052	2	107.4039	0.241	24	108.4632	2.680	57	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6,6a]2C[5])(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H)	C[3x6](C[3x6]C[6,6,6a]2C[5])(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[6,6,6a]2C[5])(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,5|C<3>}	C[3x6](C[3x6]C[6,6,6a]2C[5])(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,5|C<3>}	H(C[3x6]C[3x6]2C[6])	107.9880	0.588	2	107.9880	0.346	2	107.4039	0.241	24	108.4632	2.680	57	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]C)(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H)	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]C)(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[3x6]C[3x6]2C[6])	107.0990	0.000	1	107.0990	0.000	1	107.4039	0.241	24	108.4632	2.680	57	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H)	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]C)(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]C)(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[3x6]C[3x6]2C[6])	106.8270	0.000	1	106.8270	0.000	1	107.4039	0.241	24	108.4632	2.680	57	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6,6a]C[6,6]C)(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H)	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[6,6,6a]C[6,6]C)(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[3x6]C[3x6]2C[6])	107.0760	0.000	1	107.0760	0.000	1	107.4039	0.241	24	108.4632	2.680	57	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H)	C[3x6](C[3x6]C[6,6,6a]C[6,6]C)(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[6,6]C)(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[3x6]C[3x6]2C[6])	106.8550	0.000	1	106.8550	0.000	1	107.4039	0.241	24	108.4632	2.680	57	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]C)(C[3x6]C[6,6]2H)(C[6]C[6]O)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]C)(C[3x6]C[6,6]2H)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[3x6]2C[6])	106.1050	0.000	1	106.1050	0.000	1	107.2355	0.176	11	108.4632	2.680	57	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[3x6]O)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[3x6]O)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[3x6]C[3x6]2C[6])	107.3691	0.194	7	107.3691	0.038	7	107.2355	0.176	11	108.4632	2.680	57	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]O)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]O)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[3x6]C[3x6]2C[6])	107.1940	0.232	2	107.1940	0.054	2	107.2355	0.176	11	108.4632	2.680	57	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6]2H)(C[6]C[5,6,6]O)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6]2H)(C[6]C[5,6,6]O)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|O<1>,3|C<4>,4|H<1>}	H(C[3x6]C[3x6]2C[6])	107.5140	0.000	1	107.5140	0.000	1	107.2355	0.176	11	108.4632	2.680	57	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[4,5,3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[4,5,6,6]C[3x6]H)(C[6]C[6]H)(H)	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]C[5,6])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[4,5,6,6]C[3x6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]C[5,6])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	H(C[3x6]C[3x6]2C[6])	108.1070	0.000	1	108.1070	0.000	1	107.9485	0.050	2	108.4632	2.680	57	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[4,5,3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[4,5,6,6]C[3x6]H)(C[6]C[6]H)(H)	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[4,5,6,6]C[3x6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	H(C[3x6]C[3x6]2C[6])	107.7900	0.000	1	107.7900	0.000	1	107.9485	0.050	2	108.4632	2.680	57	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[4,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[3x6]C[4,6]H)(C[6]C[6]H)(H)	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[3x6]C[4,6]H)(C[6]C[6]H)(H){1|C<3>,4|C<4>,5|H<1>}	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(H){1|C<3>,4|C<4>,5|H<1>}	H(C[3x6]C[3x6]2C[6])	107.9480	0.000	1	107.9480	0.000	1	107.9480	0.000	1	108.4632	2.680	57	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[3x6](C[3x6]C[3x6]C[6]C)(C[3x6]C[6,6]2H)(C[6]C[6]O)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]C)(C[3x6]C[6,6]2H)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	111.1780	0.000	1	111.1780	0.000	1	111.0439	0.007	11	108.4632	2.680	57	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[3x6]O)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[3x6]O)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	111.0510	0.082	7	111.0510	0.007	7	111.0439	0.007	11	108.4632	2.680	57	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]O)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]O)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	110.9850	0.030	2	110.9850	0.001	2	111.0439	0.007	11	108.4632	2.680	57	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[3x6](C[3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6]2H)(C[6]C[5,6,6]O)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|O<1>,3|C<4>,4|H<1>}	C[3x6](C[3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6]2H)(C[6]C[5,6,6]O)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	110.9780	0.000	1	110.9780	0.000	1	111.0439	0.007	11	108.4632	2.680	57	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:N[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H)	H(C[3x6]C[3x6]N[6,6]2)	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H){6|C<4>,8|H<1>}	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H){6|C<4>,8|H<1>}	H(C[3x6]C[3x6]N[6,6]2)	109.2658	0.174	5	109.2658	0.030	5	109.2658	0.030	5	108.4632	2.680	57	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[4,5,3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]C[5,6])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(H)	C[3x6](C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[4,5,6,6]C[3x6]H)(C[6]C[6]H)(H)	H(C[3x6]C[4,5,3x6]C[3x6]C[6,6])	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]C[5,6])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[3x6](C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[4,5,6,6]C[3x6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[3x6]C[4,5,3x6]C[3x6]C[6,6])	111.1230	0.000	1	111.1230	0.000	1	111.1865	0.008	2	108.4632	2.680	57	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[4,5,3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(H)	C[3x6](C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[4,5,6,6]C[3x6]H)(C[6]C[6]H)(H)	H(C[3x6]C[4,5,3x6]C[3x6]C[6,6])	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[3x6](C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[4,5,6,6]C[3x6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[3x6]C[4,5,3x6]C[3x6]C[6,6])	111.2500	0.000	1	111.2500	0.000	1	111.1865	0.008	2	108.4632	2.680	57	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[4,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(H)	C[3x6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[3x6]C[4,6]H)(C[6]C[6]H)(H)	H(C[3x6]C[4,6,6]C[3x6]C[6,6])	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(H){1|C<3>,4|C<4>,5|H<1>}	C[3x6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[3x6]C[4,6]H)(C[6]C[6]H)(H){1|C<3>,4|C<4>,5|H<1>}	H(C[3x6]C[4,6,6]C[3x6]C[6,6])	111.0880	0.000	1	111.0880	0.000	1	111.0880	0.000	1	108.4632	2.680	57	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:3:2:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:C-2:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[3x6](C[3x6]C[3x6]O[6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]O)(CN)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[3x6](C[3x6]C[3x6]O[6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]O)(CN){1|C<4>,3|C<3>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	111.1310	0.058	2	111.1310	0.003	2	111.1310	0.003	2	111.1310	0.003	2	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:3:4:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:C-4:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]C)(C[3x6]C[6,6]2H)(C[6]C[6]O)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]O)(CH3)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]C)(C[3x6]C[6,6]2H)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]O)(CH3){1|C<4>,1|I<1>,1|O<1>,2|C<3>,4|H<1>}	H(C[3x6]C[3x6]2C[6])	106.0990	0.000	1	106.0990	0.000	1	106.0990	0.000	1	108.4930	11.462	2	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:3:4:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:C-4:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]O)(CH3)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]O)(CH3){1|C<4>,1|I<1>,1|O<1>,2|C<3>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	110.8870	0.000	1	110.8870	0.000	1	110.8870	0.000	1	108.4930	11.462	2	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3,6]-4:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[3x6]C[3,6]C[3x6]H)(C[6,6]C[6,6]H)(H)	C[3x6](C[3x6]C[3,6,6]C[6,6]H)(C[3,6]C[3]C[6]O[3])(C[3x6]C[3x6]C[6]H)(H)	H(C[3x6]C[3,6,6]C[3x6]C[6,6])	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[3x6]C[3,6]C[3x6]H)(C[6,6]C[6,6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[3x6](C[3x6]C[3,6,6]C[6,6]H)(C[3,6]C[3]C[6]O[3])(C[3x6]C[3x6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[3x6]C[3,6,6]C[3x6]C[6,6])	111.9750	0.192	2	111.9237	0.026	3	111.9237	0.026	3	109.1689	10.198	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3,6]-4:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[3x6]C[3,6]C[3x6]H)(C[6,6]C[6,6]H)(H)	C[3x6](C[3x6]C[3,6,6]C[6,6]H)(C[3,6]C[3]C[6]O[3])(C[3x6]C[3x6]C[6]H)(H)	H(C[3x6]C[3,6,6]C[3x6]C[6,6])	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[3x6]C[3,6]C[3x6]H)(C[6,6]C[6,6]H)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[3,6,6]C[6,6]H)(C[3,6]C[3]C[6]O[3])(C[3x6]C[3x6]C[6]H)(H){1|O<1>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[3,6,6]C[3x6]C[6,6])	111.8210	0.000	1	111.9237	0.026	3	111.9237	0.026	3	109.1689	10.198	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[3,6]-4:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3,6]C[3x6]H)(C[3x6]C[6,6]2C)(C[6]C[6]C)(H)	C[3x6](C[3x6]C[3,6,6]C[6,6]H)(C[3,6]C[3]C[6]O[3])(C[3x6]C[3x6]C[6]H)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3,6]C[3x6]H)(C[3x6]C[6,6]2C)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[3x6](C[3x6]C[3,6,6]C[6,6]H)(C[3,6]C[3]C[6]O[3])(C[3x6]C[3x6]C[6]H)(H){1|O<1>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[3x6]2C[6])	107.8310	0.000	1	107.8310	0.000	1	108.1277	0.091	3	109.1689	10.198	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[3,6]-4:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3,6]C[3x6]H)(C[3x6]C[6,6]2C)(C[6]C[6]H)(H)	C[3x6](C[3x6]C[3,6,6]C[6,6]H)(C[3,6]C[3]C[6]O[3])(C[3x6]C[3x6]C[6]H)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3,6]C[3x6]H)(C[3x6]C[6,6]2C)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[3x6]C[3,6,6]C[6,6]H)(C[3,6]C[3]C[6]O[3])(C[3x6]C[3x6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[3x6]C[3x6]2C[6])	108.2760	0.225	2	108.2760	0.051	2	108.1277	0.091	3	109.1689	10.198	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[4,6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[3x6]C[4,6]H)(C[6]C[6]H)(H)	C[3x6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[4,6]C[4,6]C[4]H)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[3x6]C[4,6]H)(C[6]C[6]H)(H){1|C<3>,4|C<4>,5|H<1>}	C[3x6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[4,6]C[4,6]C[4]H)(H){2|C<3>,4|C<4>,6|H<1>}	H(C[3x6]C[3x6]2C[6])	108.0050	0.000	1	108.0050	0.000	1	108.0050	0.000	1	109.1689	10.198	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[5]C[6])(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[5]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,6|C<4>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[3x6]C[3x6]2C[6])	104.9930	0.000	1	104.9930	0.000	1	107.9861	2.011	7	109.1689	10.198	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]C)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[3x6]C[3x6]2C[6])	108.5620	0.159	3	108.5620	0.025	3	107.9861	2.011	7	109.1689	10.198	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CF)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)(H){1|F<1>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CF)(H){1|C<4>,1|F<1>,1|O<1>,3|C<3>,3|H<1>}	H(C[3x6]C[3x6]2C[6])	109.0540	0.000	1	109.0540	0.000	1	107.9861	2.011	7	109.1689	10.198	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[3x6]C[3x6]2C[6])	108.7570	0.000	1	108.7570	0.000	1	107.9861	2.011	7	109.1689	10.198	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6,6a]2C[6a])(C[3x6]C[3x6]C[6]H)(C[6]C[6]H)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]HH)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[6,6,6a]2C[6a])(C[3x6]C[3x6]C[6]H)(C[6]C[6]H)(H){1|C<4>,4|H<1>,6|C<3>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]HH)(H){3|H<1>,6|C<3>}	H(C[3x6]C[3x6]2C[6])	107.4130	0.000	1	107.4130	0.000	1	107.9861	2.011	7	109.1689	10.198	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[4,5,6,6]-4:C[3x6]-4:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[4,5,6,6]C[3x6]H)(C[6]C[6]H)(H)	C[3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]O[5,6])(C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[4,5,6,6]C[3x6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]O[5,6])(C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(H){1|O<2>,3|C<3>,4|H<1>,5|C<4>}	H(C[3x6]C[3x6]2C[6])	108.0820	0.000	1	108.0820	0.000	1	107.9865	0.018	2	109.1689	10.198	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[4,5,6,6]-4:C[3x6]-4:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[4,5,6,6]C[3x6]H)(C[6]C[6]H)(H)	C[3x6](C[4,5,6,6]C[4,5,6,6]2O[5,6])(C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[4,5,6,6]C[3x6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[3x6](C[4,5,6,6]C[4,5,6,6]2O[5,6])(C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(H){1|O<2>,3|C<3>,4|H<1>,5|C<4>}	H(C[3x6]C[3x6]2C[6])	107.8910	0.000	1	107.8910	0.000	1	107.9865	0.018	2	109.1689	10.198	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[3x6]-4:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6]2H)(C[6]C[5,6,6]O)(H)	C[3x6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6]2H)(C[6]C[5,6,6]O)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[3x6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(H){1|C<3>,1|O<1>,5|C<4>,6|H<1>}	H(C[3x6]C[3x6]2C[6])	107.4390	0.000	1	107.4390	0.000	1	107.4390	0.000	1	109.1689	10.198	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CF)(C[6,6]C[6,6]H)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CF)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CF)(C[6,6]C[6,6]H)(H){1|F<1>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CF)(H){1|C<4>,1|F<1>,1|O<1>,3|C<3>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	111.2370	0.000	1	111.2370	0.000	1	110.9126	0.278	7	109.1689	10.198	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]C)(H)	C[3x6](C[3x6]C[3x6]C[6]C)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[3x6](C[3x6]C[3x6]C[6]C)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[3x6]C[3x6]C[6,6]2)	110.3330	0.000	1	110.3330	0.000	1	110.9126	0.278	7	109.1689	10.198	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[3x6]C[3x6]C[6,6]2)	110.9357	0.631	4	110.9636	0.303	5	110.9126	0.278	7	109.1689	10.198	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	111.0750	0.000	1	110.9636	0.303	5	110.9126	0.278	7	109.1689	10.198	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H)	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H){5|C<4>,9|H<1>}	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H){1|C<3>,1|N<2>,6|C<4>,6|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	106.2020	0.000	1	106.2020	0.000	1	106.2020	0.000	1	109.1689	10.198	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,3|C<4>,5|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){1|Br<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	111.1230	0.000	1	111.1230	0.000	1	111.1230	0.000	1	109.1689	10.198	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,5,6]-4:C[3x6]-4:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[5,5,6]C[3x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[3x6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[5,5,6]C[3x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[3x6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(H){1|C<3>,1|O<1>,5|C<4>,6|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	110.7020	0.000	1	110.7020	0.000	1	110.7020	0.000	1	109.1689	10.198	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[4,5,3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4,5,6,6]-4:C[3x6]-4:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]O[5,6])(C[3x6]C[4,5,6,6]C[3x6]H)(C[6,6]C[6,6]H)(H)	C[3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]O[5,6])(C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(H)	H(C[3x6]C[4,5,3x6]C[3x6]C[6,6])	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]O[5,6])(C[3x6]C[4,5,6,6]C[3x6]H)(C[6,6]C[6,6]H)(H){1|O<2>,2|C<3>,3|H<1>,6|C<4>}	C[3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]O[5,6])(C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(H){1|O<2>,3|C<3>,4|H<1>,5|C<4>}	H(C[3x6]C[4,5,3x6]C[3x6]C[6,6])	111.3380	0.000	1	111.3380	0.000	1	111.4420	0.022	2	109.1689	10.198	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[4,5,3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4,5,6,6]-4:C[3x6]-4:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[3x6]C[4,5,6,6]C[3x6]H)(C[6,6]C[6,6]H)(H)	C[3x6](C[4,5,6,6]C[4,5,6,6]2O[5,6])(C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(H)	H(C[3x6]C[4,5,3x6]C[3x6]C[6,6])	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[3x6]C[4,5,6,6]C[3x6]H)(C[6,6]C[6,6]H)(H){1|O<2>,2|C<3>,3|H<1>,6|C<4>}	C[3x6](C[4,5,6,6]C[4,5,6,6]2O[5,6])(C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(H){1|O<2>,3|C<3>,4|H<1>,5|C<4>}	H(C[3x6]C[4,5,3x6]C[3x6]C[6,6])	111.5460	0.000	1	111.5460	0.000	1	111.4420	0.022	2	109.1689	10.198	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[4,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[4,6]-4:H-1:	C[3x6]-4:	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[3x6]C[3x6]C[4,6]H)(C[6,6]C[6,6]H)(H)	C[3x6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[4,6]C[4,6]C[4]H)(H)	H(C[3x6]C[4,6,6]C[3x6]C[6,6])	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[3x6]C[3x6]C[4,6]H)(C[6,6]C[6,6]H)(H){1|C<3>,5|C<4>,5|H<1>}	C[3x6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[4,6]C[4,6]C[4]H)(H){2|C<3>,4|C<4>,6|H<1>}	H(C[3x6]C[4,6,6]C[3x6]C[6,6])	110.9630	0.000	1	110.9630	0.000	1	110.9630	0.000	1	109.1689	10.198	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[4x6]C[6]2)(C[3x6]C[6,6]2H)(C[6]C[6]H)(H)	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[4x6]HO)(C[6,6]O[6,6]CH)(H)	H(C[3x6]C[3x6]C[4x6]C[6])	C[3x6](C[4x6]C[4x6]C[6]2)(C[3x6]C[6,6]2H)(C[6]C[6]H)(H){1|O<1>,3|O<2>,4|C<4>,6|H<1>}	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[4x6]HO)(C[6,6]O[6,6]CH)(H){1|H<1>,2|C<3>,4|C<4>}	H(C[3x6]C[3x6]C[4x6]C[6])	94.6111	0.000	1	94.6111	0.000	1	94.6111	0.000	1	109.1689	10.198	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[5,6]-4:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[6,6]C[5]O[5])(C[3x6]C[3x6]C[5,6]H)(C[6,6]C[6,6]C[6a])(H)	C[3x6](C[3x6]C[3x6]C[6a]C[6])(C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5]C[6]O[5])(H)	H(C[3x6]C[5,6,6]C[3x6]C[6,6])	C[3x6](C[5,6,6]C[6,6]C[5]O[5])(C[3x6]C[3x6]C[5,6]H)(C[6,6]C[6,6]C[6a])(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>,6|C<3>}	C[3x6](C[3x6]C[3x6]C[6a]C[6])(C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5]C[6]O[5])(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>,7|C<3>}	H(C[3x6]C[5,6,6]C[3x6]C[6,6])	111.3100	0.000	1	111.3100	0.000	1	111.3100	0.000	1	109.1689	10.198	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5,6]-4:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[6,6]C[5]O[5])(C[3x6]C[3x6]C[5,6]H)(C[6,6]C[6,6]C)(H)	C[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5]C[6]O[5])(C[3x6]C[3x6]C[6]C)(H)	H(C[3x6]C[5,6,6]C[3x6]C[6,6])	C[3x6](C[5,6,6]C[6,6]C[5]O[5])(C[3x6]C[3x6]C[5,6]H)(C[6,6]C[6,6]C)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5]C[6]O[5])(C[3x6]C[3x6]C[6]C)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>,4|C<4>}	H(C[3x6]C[5,6,6]C[3x6]C[6,6])	110.9160	0.000	1	110.9160	0.000	1	110.9160	0.000	1	109.1689	10.198	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:3:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2)(H)	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2)(H){1|O<1>,2|O<2>,5|C<4>,8|H<1>}	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH){2|C<3>,3|C<4>,7|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	108.5230	0.225	4	108.5230	0.051	4	108.5230	0.051	4	108.5230	0.051	4	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	3:3:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]HH)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H){3|C<4>,4|C<3>,5|H<1>}	H(C[3x6]C[3x6]2C[6])	108.2390	0.000	1	108.1570	0.013	2	108.1570	0.013	2	108.1570	0.013	2	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	3:3:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]HH)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]HH)(H){3|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H){2|C<4>,5|C<3>,5|H<1>}	H(C[3x6]C[3x6]2C[6])	108.0750	0.000	1	108.1570	0.013	2	108.1570	0.013	2	108.1570	0.013	2	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	3:3:4:3:	4:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[3x6]C[6,6,6a]2C[6a])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(C[6a]C[6a]2)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[6,6,6a]2C[6a])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(H){1|C<4>,5|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(C[6a]C[6a]2){3|C<4>,6|C<3>,7|H<1>}	H(C[3x6]C[3x6]2C[6])	107.1130	0.000	1	107.1130	0.000	1	107.1130	0.000	1	107.1130	0.000	1	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	3:4:2:2:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[3x6]-4:O[6]-2:O[6]-2:	C[3x6]-4:	C[3x6](C[3x6]C[6,6a]O[6]2)(C[6,6]C[6,6a]2H)(C[6]O[6]HO)(H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])2	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6a]O[6]2)(C[6,6]C[6,6a]2H)(C[6]O[6]HO)(H){6|C<3>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])2{2|O<2>,3|H<1>,6|C<3>}	H(C[3x6]C[3x6]C[6,6]C[6])	108.3350	0.000	1	108.3350	0.000	1	108.3350	0.000	1	108.3350	0.000	1	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	3:4:3:3:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[3x6]-4:C[6]-3:C[6]-3:	C[3x6]-4:	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]2H)(C[6]C[6]HI)(H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]O)(C[6]O[6]O)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]2H)(C[6]C[6]HI)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>,3|O<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]O)(C[6]O[6]O){1|I<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[3x6]C[3x6]C[6,6]C[6])	108.4150	0.000	1	108.4150	0.000	1	108.4150	0.000	1	108.4150	0.000	1	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	3:4:4:1:	4:	C[3x6]-4:C[4x6]-4:C[6]-4:H-1:	N[5,6,6]-3:C[4x6]-4:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]N[5,6,6]C[4x6]H)(C[4x6]C[5,3x6]C[4x6]O)(C[6]C[6]HH)(H)	C[3x6](N[5,6,6]C[5,3x6]C[5])(C[4x6]C[6,6]C[6x6]H)(C[3x6]C[4x6]C[6]H)(H)	H(C[3x6]C[3x6]C[4x6]C[6])	C[3x6](C[3x6]N[5,6,6]C[4x6]H)(C[4x6]C[5,3x6]C[4x6]O)(C[6]C[6]HH)(H){5|H<1>,6|C<4>}	C[3x6](N[5,6,6]C[5,3x6]C[5])(C[4x6]C[6,6]C[6x6]H)(C[3x6]C[4x6]C[6]H)(H){1|O<2>,7|C<4>,7|H<1>}	H(C[3x6]C[3x6]C[4x6]C[6])	105.1050	0.000	1	105.1050	0.000	1	105.1050	0.000	1	105.1050	0.000	1	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	3:4:4:2:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6a]-3:C[3x6]-4:C[3x6]-4:O[6]-2:	C[3x6]-4:	C[3x6](C[3x6]C[6,6a]C[3x6]O[6])(C[6,6]C[3x6]HH)2(H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)2(O[6]C[6,6a])	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[6,6a]C[3x6]O[6])(C[6,6]C[3x6]HH)2(H){3|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)2(O[6]C[6,6a]){2|C<4>,4|C<3>,9|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	109.3955	0.088	2	109.3955	0.008	2	109.3955	0.008	2	109.3955	0.008	2	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	3:4:4:3:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[3x6]-4:C[6]-4:C[6]-3:	C[3x6]-4:	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,6|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<4>,2|O<2>,3|C<3>,5|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.7780	0.000	1	107.7780	0.000	1	107.7780	0.000	1	107.7780	0.000	1	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	3:4:4:4:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,8|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,8|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.0350	0.000	1	107.4183	0.114	3	107.4183	0.114	3	107.4183	0.114	3	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	3:4:4:4:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,9|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2{1|N<4>,2|C<3>,2|C<4>,8|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.6100	0.088	2	107.4183	0.114	3	107.4183	0.114	3	107.4183	0.114	3	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:2:2:4:	4:	C[4x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]O[6,6]O)(C[3x6]O[6,6]2C)(C[6]S[6]HH)(H)	C[3x6](C[3x6]C[4x6]C[6]H)(O[6,6]C[3x6])(O[6,6]C[4x6])(CCHH)	H(C[3x6]C[3x6]C[4x6]C[6])	C[3x6](C[4x6]C[3x6]O[6,6]O)(C[3x6]O[6,6]2C)(C[6]S[6]HH)(H){1|H<1>,3|C<4>}	C[3x6](C[3x6]C[4x6]C[6]H)(O[6,6]C[3x6])(O[6,6]C[4x6])(CCHH){1|S<2>,2|O<2>,3|C<4>,3|H<1>}	H(C[3x6]C[3x6]C[4x6]C[6])	107.2820	0.000	1	107.2820	0.000	1	107.2820	0.000	1	107.2820	0.000	1	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:2:4:3:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:O[6]-2:C[6]-4:N[6]-3:	C[3x6]-4:	C[3x6](C[3x6]C[6]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(H)	C[3x6](C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(N[6]C[6]C)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(H){1|P<4>,2|C<4>,3|C<3>,5|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	108.2390	0.000	1	108.2390	0.000	1	108.2390	0.000	1	108.2390	0.000	1	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:3:2:1:	4:	C[3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6]C)(H)	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H)	H(C[3x6]C[3x6]2C[6,6])	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6]C)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	H(C[3x6]C[3x6]2C[6,6])	105.3450	0.000	1	105.3450	0.000	1	105.3450	0.000	1	105.3450	0.000	1	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:3:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:Cl-1:	C[3x6]-4:	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]2Cl)(C[6]C[6]HH)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[5,6,6]Cl)(C[6,6]C[6,6]Cl)(Cl)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]2Cl)(C[6]C[6]HH)(H){2|Cl<1>,1|C<4>,3|C<3>,4|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[5,6,6]Cl)(C[6,6]C[6,6]Cl)(Cl){1|Cl<1>,1|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[3x6]2C[6])	105.3115	1.600	2	105.3115	2.561	2	105.3115	2.561	2	105.3115	2.561	2	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-3:C[6,6]-4:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CO)(H)	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CO)(H)	H(C[3x6]C[5,3x6]C[3x6]C[6])	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CO)(H){1|O<1>,2|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CO)(H){1|O<1>,2|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[3x6]C[5,3x6]C[3x6]C[6])	107.7720	0.000	1	107.7720	0.000	1	107.7720	0.000	1	107.5187	0.135	3	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-3:C[6,6]-4:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]HH)(H)	H(C[3x6]C[5,3x6]C[3x6]C[6])	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){1|C<3>,2|O<1>,3|C<4>,7|H<1>}	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[3x6]C[5,3x6]C[3x6]C[6])	107.0980	0.000	1	107.0980	0.000	1	107.3920	0.173	2	107.5187	0.135	3	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-3:C[6,6]-4:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,3x6]C[6]N[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]HH)(H)	H(C[3x6]C[5,3x6]C[3x6]C[6])	C[3x6](C[5,3x6]C[5,3x6]C[6]N[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	H(C[3x6]C[5,3x6]C[3x6]C[6])	107.6860	0.000	1	107.6860	0.000	1	107.3920	0.173	2	107.5187	0.135	3	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:3:4:3:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-3:C[6]-4:N[6]-3:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]C[6]N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(N[6]C[6]C)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6]C[6]N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,8|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(N[6]C[6]C){1|N<3>,5|C<4>,8|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.5465	0.193	2	107.5465	0.037	2	107.5465	0.037	2	107.5465	0.037	2	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:2:1:	4:	C[3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:O[6,6]-2:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[4x6]C[3x6]O[6,6]O)(C[6]S[6]HH)(H)	C[3x6](C[3x6]C[4x6]C[6]H)2(O[6,6]C[3x6])(H)	H(C[3x6]C[3x6]C[4x6]C[6])	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[4x6]C[3x6]O[6,6]O)(C[6]S[6]HH)(H){2|H<1>,4|C<4>}	C[3x6](C[3x6]C[4x6]C[6]H)2(O[6,6]C[3x6])(H){2|S<2>,3|C<4>,3|O<2>,4|H<1>}	H(C[3x6]C[3x6]C[4x6]C[6])	107.4940	0.000	1	107.4940	0.000	1	107.7020	0.087	2	107.7020	0.087	2	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:2:1:	4:	C[3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:O[6,6]-2:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[4x6]O[6,6]2C[6])(C[6]S[6]HH)(H)	C[3x6](C[3x6]C[4x6]C[6]H)2(O[6,6]C[3x6])(H)	H(C[3x6]C[3x6]C[4x6]C[6])	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[4x6]O[6,6]2C[6])(C[6]S[6]HH)(H){3|H<1>,4|C<4>}	C[3x6](C[3x6]C[4x6]C[6]H)2(O[6,6]C[3x6])(H){2|S<2>,3|C<4>,3|O<2>,4|H<1>}	H(C[3x6]C[3x6]C[4x6]C[6])	107.9100	0.000	1	107.9100	0.000	1	107.7020	0.087	2	107.7020	0.087	2	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:2:2:	4:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[6]C[6]HO)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[6]C[6]HO)(H){1|O<2>,4|H<1>,5|C<4>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|O<2>,4|C<4>,5|H<1>}	H(C[3x6]C[3x6]2C[6])	105.4800	0.000	1	105.4800	0.000	1	105.4800	0.000	1	109.3055	1.365	13	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:2:2:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:O[6]-2:O[6]-2:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]O[6]2)(C[6,6]C[3x6]HH)2(H)	C[3x6](C[3x6]C[6,6]2H)2(O[6]C[5a,6])(O[6]C[6])	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]O[6]2)(C[6,6]C[3x6]HH)2(H){1|C<3>,3|H<1>,4|C<4>}	C[3x6](C[3x6]C[6,6]2H)2(O[6]C[5a,6])(O[6]C[6]){1|N<3>,2|C<4>,3|C<3>,8|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	109.7670	0.041	2	109.7670	0.002	2	109.7910	0.033	6	109.3055	1.365	13	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:2:2:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:O[6]-2:O[6]-2:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]O[6]2)(C[6,6]C[3x6]HH)2(H)	C[3x6](C[3x6]C[6,6]2H)2(O[6]C[6])(O[6]O[6])	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]O[6]2)(C[6,6]C[3x6]HH)2(H){1|O<2>,3|H<1>,4|C<4>}	C[3x6](C[3x6]C[6,6]2H)2(O[6]C[6])(O[6]O[6]){10|H<1>,3|C<4>}	H(C[3x6]C[3x6]C[6,6]2)	109.6175	0.090	2	109.6175	0.008	2	109.7910	0.033	6	109.3055	1.365	13	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:2:2:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:O[6]-2:O[6]-2:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]O[6]2)(C[6,6]C[3x6]HH)2(H)	C[3x6](C[3x6]C[6,6]2H)2(O[6]O[6])2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]O[6]2)(C[6,6]C[3x6]HH)2(H){2|O<2>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[6,6]2H)2(O[6]O[6])2{3|C<4>,8|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	109.9885	0.117	2	109.9885	0.014	2	109.7910	0.033	6	109.3055	1.365	13	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:2:2:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:S[6]-2:S[6]-2:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]S[6]2)(C[6,6]C[3x6]HH)2(H)	C[3x6](C[3x6]C[6,6]2H)2(S[6]C[3x6])2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]S[6]2)(C[6,6]C[3x6]HH)2(H){3|H<1>,5|C<4>}	C[3x6](C[3x6]C[6,6]2H)2(S[6]C[3x6])2{1|S<2>,6|C<4>,8|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	109.4575	0.079	6	109.4575	0.006	6	109.4575	0.006	6	109.3055	1.365	13	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:2:4:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[4,6,6]-4:O[6]-2:C-4:	C[3x6]-4:	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(C[6]C[6,6a]HH)(H)	C[3x6](C[3x6]C[6,6]C[6]H)(C[4,6,6]C[4,6]2H)(O[6]C[6,6a])(CH3)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(C[6]C[6,6a]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[4,6,6]C[4,6]2H)(O[6]C[6,6a])(CH3){2|C<3>,3|C<4>,6|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	106.5525	0.878	2	106.5525	0.770	2	106.5525	0.770	2	106.5525	0.770	2	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[3,6]-4:C[3x6]-4:H-1:	C[3,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3,6,6]C[6,6]H)(C[3,6]C[3]C[6]O[3])(C[3x6]C[3x6]C[6]H)(H)	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[3x6]C[3,6]C[3x6]H)(C[6,6]C[6,6]H)(H)	H(C[3x6]C[3,6]C[3x6]2)	C[3x6](C[3x6]C[3,6,6]C[6,6]H)(C[3,6]C[3]C[6]O[3])(C[3x6]C[3x6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[3x6]C[3,6]C[3x6]H)(C[6,6]C[6,6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[3,6]C[3x6]2)	107.6210	0.113	2	107.8433	0.155	3	107.8433	0.155	3	107.1100	1.059	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[3,6]-4:C[3x6]-4:H-1:	C[3,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3,6,6]C[6,6]H)(C[3,6]C[3]C[6]O[3])(C[3x6]C[3x6]C[6]H)(H)	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[3x6]C[3,6]C[3x6]H)(C[6,6]C[6,6]H)(H)	H(C[3x6]C[3,6]C[3x6]2)	C[3x6](C[3x6]C[3,6,6]C[6,6]H)(C[3,6]C[3]C[6]O[3])(C[3x6]C[3x6]C[6]H)(H){1|O<1>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[3x6]C[3,6]C[3x6]H)(C[6,6]C[6,6]H)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[3,6]C[3x6]2)	108.2880	0.000	1	107.8433	0.155	3	107.8433	0.155	3	107.1100	1.059	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[3,6]-4:C[3x6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3,6,6]C[6,6]H)(C[3,6]C[3]C[6]O[3])(C[3x6]C[3x6]C[6]H)(H)	C[3x6](C[3x6]C[3,6]C[3x6]H)(C[3x6]C[6,6]2C)(C[6]C[6]C)(H)	H(C[3x6]C[3,6]C[3x6]2)	C[3x6](C[3x6]C[3,6,6]C[6,6]H)(C[3,6]C[3]C[6]O[3])(C[3x6]C[3x6]C[6]H)(H){1|O<1>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[3,6]C[3x6]H)(C[3x6]C[6,6]2C)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[3x6]C[3,6]C[3x6]2)	108.2740	0.000	1	108.2740	0.000	1	107.8500	0.145	3	107.1100	1.059	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[3,6]-4:C[3x6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3,6,6]C[6,6]H)(C[3,6]C[3]C[6]O[3])(C[3x6]C[3x6]C[6]H)(H)	C[3x6](C[3x6]C[3,6]C[3x6]H)(C[3x6]C[6,6]2C)(C[6]C[6]H)(H)	H(C[3x6]C[3,6]C[3x6]2)	C[3x6](C[3x6]C[3,6,6]C[6,6]H)(C[3,6]C[3]C[6]O[3])(C[3x6]C[3x6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[3x6](C[3x6]C[3,6]C[3x6]H)(C[3x6]C[6,6]2C)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[3,6]C[3x6]2)	107.6380	0.143	2	107.6380	0.020	2	107.8500	0.145	3	107.1100	1.059	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[4,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[4,6]C[4,6]C[4]H)(H)	C[3x6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[3x6]C[4,6]H)(C[6]C[6]H)(H)	H(C[3x6]C[3x6]2C[4,6])	C[3x6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[4,6]C[4,6]C[4]H)(H){2|C<3>,4|C<4>,6|H<1>}	C[3x6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[3x6]C[4,6]H)(C[6]C[6]H)(H){1|C<3>,4|C<4>,5|H<1>}	H(C[3x6]C[3x6]2C[4,6])	106.9970	0.000	1	106.9970	0.000	1	106.9970	0.000	1	107.1100	1.059	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[4,6]-4:H-1:	C[4,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[4,6]C[4,6]C[4]H)(H)	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[3x6]C[3x6]C[4,6]H)(C[6,6]C[6,6]H)(H)	H(C[3x6]C[3x6]2C[4,6])	C[3x6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[4,6]C[4,6]C[4]H)(H){2|C<3>,4|C<4>,6|H<1>}	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[3x6]C[3x6]C[4,6]H)(C[6,6]C[6,6]H)(H){1|C<3>,5|C<4>,5|H<1>}	H(C[3x6]C[3x6]2C[4,6])	107.2010	0.000	1	107.2010	0.000	1	107.2010	0.000	1	107.1100	1.059	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6a]C[6])(C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5]C[6]O[5])(H)	C[3x6](C[5,6,6]C[6,6]C[5]O[5])(C[3x6]C[3x6]C[5,6]H)(C[6,6]C[6,6]C[6a])(H)	H(C[3x6]C[3x6]2C[5,6])	C[3x6](C[3x6]C[3x6]C[6a]C[6])(C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5]C[6]O[5])(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>,7|C<3>}	C[3x6](C[5,6,6]C[6,6]C[5]O[5])(C[3x6]C[3x6]C[5,6]H)(C[6,6]C[6,6]C[6a])(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>,6|C<3>}	H(C[3x6]C[3x6]2C[5,6])	106.3790	0.000	1	106.3790	0.000	1	106.3790	0.000	1	107.1100	1.059	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]HH)(H)	C[3x6](C[3x6]C[6,6,6a]2C[6a])(C[3x6]C[3x6]C[6]H)(C[6]C[6]H)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]HH)(H){3|H<1>,6|C<3>}	C[3x6](C[3x6]C[6,6,6a]2C[6a])(C[3x6]C[3x6]C[6]H)(C[6]C[6]H)(H){1|C<4>,4|H<1>,6|C<3>}	H(C[3x6]C[3x6]2C[6])	108.2350	0.000	1	108.2350	0.000	1	107.5063	1.524	7	107.1100	1.059	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CF)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CF)(H){1|C<4>,1|F<1>,1|O<1>,3|C<3>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)(H){1|F<1>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[3x6]2C[6])	107.0990	0.000	1	107.0990	0.000	1	107.5063	1.524	7	107.1100	1.059	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[5]C[6])(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[5]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,6|C<4>}	H(C[3x6]C[3x6]2C[6])	109.9900	0.000	1	109.9900	0.000	1	107.5063	1.524	7	107.1100	1.059	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]C)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[3x6]2C[6])	106.8410	0.384	3	106.8410	0.147	3	107.5063	1.524	7	107.1100	1.059	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[3x6]2C[6])	106.6970	0.000	1	106.6970	0.000	1	107.5063	1.524	7	107.1100	1.059	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]C)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]C)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]C)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>,3|C<4>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[3x6]C[3x6]2C[6])	106.7930	0.000	1	106.7930	0.000	1	106.7724	0.100	7	107.1100	1.059	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CF)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CF)(C[6,6]C[6,6]H)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CF)(H){1|C<4>,1|F<1>,1|O<1>,3|C<3>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CF)(C[6,6]C[6,6]H)(H){1|F<1>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[3x6]2C[6])	107.1080	0.000	1	107.1080	0.000	1	106.7724	0.100	7	107.1100	1.059	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[3x6]2C[6])	106.7580	0.000	1	106.7012	0.115	5	106.7724	0.100	7	107.1100	1.059	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[3x6]C[3x6]2C[6])	106.6870	0.390	4	106.7012	0.115	5	106.7724	0.100	7	107.1100	1.059	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6]-4:C[3x6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5]C[6]O[5])(C[3x6]C[3x6]C[6]C)(H)	C[3x6](C[5,6,6]C[6,6]C[5]O[5])(C[3x6]C[3x6]C[5,6]H)(C[6,6]C[6,6]C)(H)	H(C[3x6]C[3x6]2C[5,6])	C[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5]C[6]O[5])(C[3x6]C[3x6]C[6]C)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>,4|C<4>}	C[3x6](C[5,6,6]C[6,6]C[5]O[5])(C[3x6]C[3x6]C[5,6]H)(C[6,6]C[6,6]C)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>,4|C<4>}	H(C[3x6]C[3x6]2C[5,6])	106.7270	0.000	1	106.7270	0.000	1	106.7270	0.000	1	107.1100	1.059	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H)	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H){1|C<3>,1|N<2>,6|C<4>,6|H<1>}	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H){5|C<4>,9|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	106.1980	0.000	1	106.1980	0.000	1	106.1980	0.000	1	107.1100	1.059	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[4x6]HO)(C[6,6]O[6,6]CH)(H)	C[3x6](C[4x6]C[4x6]C[6]2)(C[3x6]C[6,6]2H)(C[6]C[6]H)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[4x6]HO)(C[6,6]O[6,6]CH)(H){1|H<1>,2|C<3>,4|C<4>}	C[3x6](C[4x6]C[4x6]C[6]2)(C[3x6]C[6,6]2H)(C[6]C[6]H)(H){1|O<1>,3|O<2>,4|C<4>,6|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	110.4610	0.000	1	110.4610	0.000	1	110.4610	0.000	1	107.1100	1.059	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[4,5,6,6]-4:C[3x6]-4:C[3x6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]O[5,6])(C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(H)	C[3x6](C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[4,5,6,6]C[3x6]H)(C[6]C[6]H)(H)	H(C[3x6]C[4,5,6,6]C[3x6]2)	C[3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]O[5,6])(C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(H){1|O<2>,3|C<3>,4|H<1>,5|C<4>}	C[3x6](C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[4,5,6,6]C[3x6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[3x6]C[4,5,6,6]C[3x6]2)	106.0070	0.000	1	106.0070	0.000	1	106.2130	0.085	2	107.1100	1.059	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[4,5,6,6]-4:C[3x6]-4:C[3x6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[4,5,6,6]C[4,5,6,6]2O[5,6])(C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(H)	C[3x6](C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[4,5,6,6]C[3x6]H)(C[6]C[6]H)(H)	H(C[3x6]C[4,5,6,6]C[3x6]2)	C[3x6](C[4,5,6,6]C[4,5,6,6]2O[5,6])(C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(H){1|O<2>,3|C<3>,4|H<1>,5|C<4>}	C[3x6](C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[4,5,6,6]C[3x6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[3x6]C[4,5,6,6]C[3x6]2)	106.4190	0.000	1	106.4190	0.000	1	106.2130	0.085	2	107.1100	1.059	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[4,5,6,6]-4:C[3x6]-4:C[3x6]-4:H-1:	C[4,5,3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]O[5,6])(C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(H)	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]O[5,6])(C[3x6]C[4,5,6,6]C[3x6]H)(C[6,6]C[6,6]H)(H)	H(C[3x6]C[4,5,6,6]C[3x6]2)	C[3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]O[5,6])(C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(H){1|O<2>,3|C<3>,4|H<1>,5|C<4>}	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]O[5,6])(C[3x6]C[4,5,6,6]C[3x6]H)(C[6,6]C[6,6]H)(H){1|O<2>,2|C<3>,3|H<1>,6|C<4>}	H(C[3x6]C[4,5,6,6]C[3x6]2)	106.0160	0.000	1	106.0160	0.000	1	106.1930	0.063	2	107.1100	1.059	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[4,5,6,6]-4:C[3x6]-4:C[3x6]-4:H-1:	C[4,5,3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[4,5,6,6]C[4,5,6,6]2O[5,6])(C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(H)	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[3x6]C[4,5,6,6]C[3x6]H)(C[6,6]C[6,6]H)(H)	H(C[3x6]C[4,5,6,6]C[3x6]2)	C[3x6](C[4,5,6,6]C[4,5,6,6]2O[5,6])(C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(H){1|O<2>,3|C<3>,4|H<1>,5|C<4>}	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[3x6]C[4,5,6,6]C[3x6]H)(C[6,6]C[6,6]H)(H){1|O<2>,2|C<3>,3|H<1>,6|C<4>}	H(C[3x6]C[4,5,6,6]C[3x6]2)	106.3700	0.000	1	106.3700	0.000	1	106.1930	0.063	2	107.1100	1.059	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[3x6]C[5,3x6]C[3x6]C[6])	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){1|Br<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[3x6]C[5,3x6]C[3x6]C[6])	106.5200	0.000	1	106.5200	0.000	1	106.5200	0.000	1	107.1100	1.059	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[3x6]-4:C[3x6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(H)	C[3x6](C[3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6]2H)(C[6]C[5,6,6]O)(H)	H(C[3x6]C[5,5,6]C[3x6]2)	C[3x6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(H){1|C<3>,1|O<1>,5|C<4>,6|H<1>}	C[3x6](C[3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6]2H)(C[6]C[5,6,6]O)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[3x6]C[5,5,6]C[3x6]2)	106.1850	0.000	1	106.1850	0.000	1	106.1850	0.000	1	107.1100	1.059	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[3x6]-4:C[3x6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(H)	C[3x6](C[3x6]C[5,5,6]C[3x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[3x6]C[5,5,6]C[3x6]2)	C[3x6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(H){1|C<3>,1|O<1>,5|C<4>,6|H<1>}	C[3x6](C[3x6]C[5,5,6]C[3x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[3x6]C[5,5,6]C[3x6]2)	106.1190	0.000	1	106.1190	0.000	1	106.1190	0.000	1	107.1100	1.059	33	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:3:2:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-3:C-2:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]N[6,6]O)(CN)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]2C)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]N[6,6]O)(CN){1|C<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.8775	0.371	2	107.8775	0.138	2	107.8647	0.069	3	107.8647	0.069	3	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:3:2:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-3:C-2:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(CN)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(CN){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.8390	0.000	1	107.8390	0.000	1	107.8647	0.069	3	107.8647	0.069	3	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:3:3:	4:	C[3x6]-4:C[3x6]-4:C[5,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6a]-3:C[6]-3:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6a]C[6])(C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5]C[6]O[5])(H)	C[3x6](C[3x6]C[3x6]C[5,6]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[3x6]C[3x6]2C[5,6])	C[3x6](C[3x6]C[3x6]C[6a]C[6])(C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5]C[6]O[5])(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>,7|C<3>}	C[3x6](C[3x6]C[3x6]C[5,6]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,4|C<3>,4|H<1>}	H(C[3x6]C[3x6]2C[5,6])	106.3860	0.000	1	106.3860	0.000	1	106.3860	0.000	1	106.3860	0.000	1	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:3:4:	4:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:C-4:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]C)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2C)(C[6]C[6]H)(CH3)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]C)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>,3|C<4>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2C)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[3x6]2C[6])	106.8150	0.000	1	106.8150	0.000	1	106.8150	0.000	1	107.6929	1.946	9	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:3:4:	4:	C[3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[4x6]-4:C[3x6]-4:C[6]-3:C-4:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]C[6]C)(C[4x6]C[6,6]2C[6])(C[6]C[6]HH)(H)	C[3x6](C[4x6]C[6,6]2O[6,6])(C[3x6]C[4x6]C[6]H)(C[6]C[6]O)(CH3)	H(C[3x6]C[3x6]C[4x6]C[6])	C[3x6](C[3x6]C[4x6]C[6]C)(C[4x6]C[6,6]2C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|O<1>,4|H<1>,5|C<4>}	C[3x6](C[4x6]C[6,6]2O[6,6])(C[3x6]C[4x6]C[6]H)(C[6]C[6]O)(CH3){2|C<3>,5|C<4>,5|H<1>}	H(C[3x6]C[3x6]C[4x6]C[6])	106.6540	0.000	1	106.6540	0.000	1	106.6540	0.000	1	107.6929	1.946	9	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:3:4:	4:	C[3x6]-4:C[5,6]-4:C[3x6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:C-4:	C[3x6]-4:	C[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5]C[6]O[5])(C[3x6]C[3x6]C[6]C)(H)	C[3x6](C[3x6]C[3x6]C[5,6]H)(C[3x6]C[6,6]2C)(C[6]C[6]H)(CH3)	H(C[3x6]C[3x6]2C[5,6])	C[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5]C[6]O[5])(C[3x6]C[3x6]C[6]C)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>,4|C<4>}	C[3x6](C[3x6]C[3x6]C[5,6]H)(C[3x6]C[6,6]2C)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[3x6]2C[5,6])	106.6840	0.000	1	106.6840	0.000	1	106.6840	0.000	1	107.6929	1.946	9	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:3:4:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:C[6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[3x6]HH)2(H)	C[3x6](C[3x6]C[6,6]2H)2(C[6]C[6,6a]O)(C[6]C[6]HH)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[3x6]HH)2(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[3x6](C[3x6]C[6,6]2H)2(C[6]C[6,6a]O)(C[6]C[6]HH){10|H<1>,2|C<3>,2|C<4>}	H(C[3x6]C[3x6]C[6,6]2)	109.0210	2.039	2	109.0210	4.159	2	109.0210	4.159	2	107.6929	1.946	9	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:3:4:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:N[6]-3:C-4:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]N[6]C)(C[6,6]C[3x6]HH)2(H)	C[3x6](C[4x6]C[6,6a]C[6,6]2)(C[3x6]C[6,6]2H)(N[6]C[6]O)(CH3)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[4x6]N[6]C)(C[6,6]C[3x6]HH)2(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[3x6](C[4x6]C[6,6a]C[6,6]2)(C[3x6]C[6,6]2H)(N[6]C[6]O)(CH3){2|C<3>,4|C<4>,8|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	109.4340	0.000	1	109.4340	0.000	1	109.4340	0.000	1	107.6929	1.946	9	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:3:4:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:C[6]-3:C[6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H)	C[3x6](C[6,6]C[5,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6]H)(C[6]O[6]HH)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H){1|O<1>,1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[3x6](C[6,6]C[5,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6]H)(C[6]O[6]HH){1|C<3>,1|N<3>,1|O<1>,3|H<1>,5|C<4>}	H(C[3x6]C[3x6]C[6,6]2)	108.0910	0.000	1	108.0910	0.000	1	108.0910	0.000	1	107.6929	1.946	9	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:3:4:	4:	C[4x6]-4:C[3x6]-4:C[6]-4:H-1:	C[4x6]-4:C[3x6]-4:C[6]-3:C-4:	C[3x6]-4:	C[3x6](C[4x6]N[5a,6,6]C[6,6]C[6])(C[3x6]C[4x6]C[6]C)(C[6]C[6]HH)(H)	C[3x6](C[4x6]N[5a,6,6]C[6,6]C[6])(C[3x6]C[4x6]C[6]H)(C[6]C[6]O)(CH3)	H(C[3x6]C[3x6]C[4x6]C[6])	C[3x6](C[4x6]N[5a,6,6]C[6,6]C[6])(C[3x6]C[4x6]C[6]C)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[3x6](C[4x6]N[5a,6,6]C[6,6]C[6])(C[3x6]C[4x6]C[6]H)(C[6]C[6]O)(CH3){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[3x6]C[4x6]C[6])	106.7580	0.272	2	106.7580	0.074	2	106.7580	0.074	2	107.6929	1.946	9	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]HH)(H)	C[3x6](C[3x6]C[6,6,6a]2C[6a])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[3x6](C[3x6]C[6,6,6a]2C[6a])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(H){1|C<4>,5|H<1>,6|C<3>}	H(C[3x6]C[3x6]2C[6])	106.5220	0.000	1	106.5220	0.000	1	107.0875	0.640	2	107.3424	1.577	40	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6,6a]2C[6a])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]HH)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[6,6,6a]2C[6a])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(H){1|C<4>,5|H<1>,6|C<3>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]HH)(H){1|C<4>,4|H<1>,5|C<3>}	H(C[3x6]C[3x6]2C[6])	107.6530	0.000	1	107.6530	0.000	1	107.0875	0.640	2	107.3424	1.577	40	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[4x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[6]C[6]HO)(H)	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[6]C[6]HO)(H){1|O<2>,4|H<1>,5|C<4>}	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(H){4|C<4>,4|O<2>,7|H<1>}	H(C[3x6]C[3x6]2C[6])	105.4500	0.000	1	105.4500	0.000	1	105.4500	0.000	1	107.3424	1.577	40	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]2Cl)(C[6]C[6]HH)(H)	C[3x6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]2Cl)(C[6]C[6]HH)(H){2|Cl<1>,1|C<4>,3|C<3>,4|H<1>}	C[3x6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(H){2|Cl<1>,1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	H(C[3x6]C[3x6]2C[6])	105.3000	1.628	2	105.3000	2.650	2	105.3000	2.650	2	107.3424	1.577	40	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[4,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4,3x6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[4,6,6]HH)(H)	C[3x6](C[4,3x6]C[4,6,6]C[4,6]C[6])(C[3x6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)	H(C[3x6]C[3x6]C[5,6]C[6,6])	C[3x6](C[3x6]C[4,3x6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[4,6,6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[3x6](C[4,3x6]C[4,6,6]C[4,6]C[6])(C[3x6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,9|H<1>}	H(C[3x6]C[3x6]C[5,6]C[6,6])	106.4815	0.088	2	106.4815	0.008	2	106.4815	0.008	2	107.3424	1.577	40	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H)	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H){1|C<3>,1|N<2>,6|C<4>,7|H<1>}	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H){1|C<3>,5|C<4>,8|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	107.0410	0.000	1	107.3983	0.063	8	107.3983	0.063	8	107.3424	1.577	40	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H)	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H){1|C<3>,1|O<2>,6|C<4>,7|H<1>}	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H){1|O<1>,5|C<4>,8|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	107.6980	0.006	2	107.3983	0.063	8	107.3983	0.063	8	107.3424	1.577	40	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H)	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H){1|C<3>,5|C<4>,8|H<1>}	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H){1|C<3>,1|N<2>,6|C<4>,7|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	107.4980	0.000	1	107.3983	0.063	8	107.3983	0.063	8	107.3424	1.577	40	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H)	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H){1|O<1>,5|C<4>,8|H<1>}	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H){1|C<3>,1|O<2>,6|C<4>,7|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	107.3750	0.102	2	107.3983	0.063	8	107.3983	0.063	8	107.3424	1.577	40	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H)	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H){1|O<2>,2|C<3>,2|C<4>,2|O<1>,6|H<1>}	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H){1|O<2>,2|C<3>,2|C<4>,2|O<1>,6|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	107.2505	0.260	2	107.3983	0.063	8	107.3983	0.063	8	107.3424	1.577	40	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(H)	C[3x6](C[4x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HO)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(H){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	C[3x6](C[4x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HO)(H){2|O<1>,4|H<1>,7|C<4>}	H(C[3x6]C[3x6]C[6,6]2)	107.7040	0.154	2	107.7040	0.024	2	107.7040	0.024	2	107.3424	1.577	40	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[6]-4:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[3x6]HH)2(H)	C[3x6](C[4x6]C[6,6]2C[6])(C[6]C[6,6]C[6a]H)(C[3x6]C[6,6]2H)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[3x6]HH)2(H){1|C<3>,3|H<1>,5|C<4>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6]C[6,6]C[6a]H)(C[3x6]C[6,6]2H)(H){10|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[3x6]C[3x6]C[6,6]2)	109.2620	0.000	1	109.2620	0.000	1	109.2620	0.000	1	107.3424	1.577	40	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]BrH)(C[6,6]C[6,6]HH)(H)	C[3x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]HO)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]BrH)(C[6,6]C[6,6]HH)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]HO)(H){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	110.2480	0.000	1	110.2480	0.000	1	109.5485	0.979	2	107.3424	1.577	40	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH)(H)	C[3x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]HO)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]HO)(H){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	108.8490	0.000	1	108.8490	0.000	1	109.5485	0.979	2	107.3424	1.577	40	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CC)(H)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|O<2>,4|C<4>,6|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CC)(H){1|O<2>,4|H<1>,5|C<4>}	H(C[3x6]C[3x6]C[6,6]C[6])	106.9990	0.000	1	106.9990	0.000	1	107.1910	0.074	2	107.3424	1.577	40	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CC)(H)	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CC)(H){1|O<2>,4|H<1>,5|C<4>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|O<2>,4|C<4>,6|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.3830	0.000	1	107.3830	0.000	1	107.1910	0.074	2	107.3424	1.577	40	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[3x6]-4:	C[3x6](C[4,3x6]C[4,6,6]C[4,6]C[6])(C[3x6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)	C[3x6](C[3x6]C[4,3x6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[4,6,6]HH)(H)	H(C[3x6]C[4,3x6]C[3x6]C[6])	C[3x6](C[4,3x6]C[4,6,6]C[4,6]C[6])(C[3x6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,9|H<1>}	C[3x6](C[3x6]C[4,3x6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[4,6,6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[3x6]C[4,3x6]C[3x6]C[6])	106.4755	0.064	2	106.4755	0.004	2	106.4755	0.004	2	107.3424	1.577	40	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(H)	C[3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[6]C[6]HO)(H)	H(C[3x6]C[3x6]C[4x6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(H){4|C<4>,4|O<2>,7|H<1>}	C[3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[6]C[6]HO)(H){1|O<2>,4|H<1>,5|C<4>}	H(C[3x6]C[3x6]C[4x6]C[6])	106.8630	0.000	1	106.8630	0.000	1	106.8630	0.000	1	107.3424	1.577	40	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HO)(H)	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(H)	H(C[3x6]C[3x6]C[4x6]C[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HO)(H){2|O<1>,4|H<1>,7|C<4>}	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(H){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	H(C[3x6]C[3x6]C[4x6]C[6])	107.7890	0.608	2	107.7890	0.370	2	107.7890	0.370	2	107.3424	1.577	40	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[6]-4:C[3x6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6]C[6,6]C[6a]H)(C[3x6]C[6,6]2H)(H)	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[3x6]HH)2(H)	H(C[3x6]C[3x6]C[4x6]C[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[6]C[6,6]C[6a]H)(C[3x6]C[6,6]2H)(H){10|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[3x6]HH)2(H){1|C<3>,3|H<1>,5|C<4>}	H(C[3x6]C[3x6]C[4x6]C[6])	106.4550	0.000	1	106.4550	0.000	1	106.4550	0.000	1	107.3424	1.577	40	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(H)	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]2Cl)(C[6]C[6]HH)(H)	H(C[3x6]C[5,3x6]C[3x6]C[6])	C[3x6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(H){2|Cl<1>,1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]2Cl)(C[6]C[6]HH)(H){2|Cl<1>,1|C<4>,3|C<3>,4|H<1>}	H(C[3x6]C[5,3x6]C[3x6]C[6])	105.3010	1.293	2	105.3010	1.671	2	105.3010	1.671	2	107.3424	1.577	40	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]HO)(H)	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]BrH)(C[6,6]C[6,6]HH)(H)	H(C[3x6]C[5,3x6]C[3x6]C[6])	C[3x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]HO)(H){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]BrH)(C[6,6]C[6,6]HH)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[3x6]C[5,3x6]C[3x6]C[6])	106.5480	0.000	1	106.5480	0.000	1	107.6320	2.350	2	107.3424	1.577	40	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]HO)(H)	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH)(H)	H(C[3x6]C[5,3x6]C[3x6]C[6])	C[3x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]HO)(H){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[3x6]C[5,3x6]C[3x6]C[6])	108.7160	0.000	1	108.7160	0.000	1	107.6320	2.350	2	107.3424	1.577	40	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5a,6]C[6]C)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[3x6](C[6,6]N[5a,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]O[6]CH)(H)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[6,6]C[5a,6]C[6]C)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|N<3>,6|H<1>}	C[3x6](C[6,6]N[5a,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]O[6]CH)(H){2|H<1>,3|C<3>,3|C<4>}	H(C[3x6]C[3x6]C[6,6]C[6])	108.0570	0.000	1	108.0570	0.000	1	108.1825	1.134	8	107.3424	1.577	40	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5a,6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[3x6](C[6,6]N[5a,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]O[6]CH)(H)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[6,6]C[5a,6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|N<3>,6|H<1>}	C[3x6](C[6,6]N[5a,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]O[6]CH)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.3530	0.000	1	107.3530	0.000	1	108.1825	1.134	8	107.3424	1.577	40	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5a,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[5a,6]O[6]C)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[6,6]C[5a,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[6,6]C[5a,6]O[6]C)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|N<3>,5|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	109.8505	0.275	2	109.8505	0.076	2	108.1825	1.134	8	107.3424	1.577	40	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5a,6]O[6]C)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[5a,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[6,6]C[5a,6]O[6]C)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[3x6](C[6,6]C[5a,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.7545	0.214	2	107.7545	0.046	2	108.1825	1.134	8	107.3424	1.577	40	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]N[5a,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]O[6]CH)(H)	C[3x6](C[6,6]C[5a,6]C[6]C)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[6,6]N[5a,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]O[6]CH)(H){2|H<1>,3|C<3>,3|C<4>}	C[3x6](C[6,6]C[5a,6]C[6]C)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|N<3>,6|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.5200	0.000	1	107.5200	0.000	1	108.1825	1.134	8	107.3424	1.577	40	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]N[5a,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]O[6]CH)(H)	C[3x6](C[6,6]C[5a,6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[6,6]N[5a,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]O[6]CH)(H){2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[5a,6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|N<3>,6|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.3200	0.000	1	107.3200	0.000	1	108.1825	1.134	8	107.3424	1.577	40	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:2:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-4:C[6]-2:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[3x6]HH)2(H)	C[3x6](C[3x6]C[6,6]2H)2(C[6]C[6]HH)(C[6]N[6])	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[3x6]HH)2(H){1|N<3>,4|C<4>,5|H<1>}	C[3x6](C[3x6]C[6,6]2H)2(C[6]C[6]HH)(C[6]N[6]){10|H<1>,1|C<3>,3|C<4>}	H(C[3x6]C[3x6]C[6,6]2)	109.0685	0.103	2	109.0685	0.011	2	109.0685	0.011	2	109.0685	0.011	2	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:3:	4:	C[3x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-4:C[6]-3:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]2)(C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HO)(H)	C[3x6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]N[6]H)	H(C[3x6]C[3x6]C[4x6]C[6,6])	C[3x6](C[3x6]C[3x6]C[6]2)(C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HO)(H){1|C<3>,1|N<2>,1|O<1>,4|C<4>,9|H<1>}	C[3x6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]N[6]H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[3x6]C[3x6]C[4x6]C[6,6])	105.3840	0.000	1	105.3840	0.000	1	105.3840	0.000	1	107.5638	1.885	13	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:3:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-4:C[6]-3:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[3x6]HH)2(H)	C[3x6](C[3x6]C[6,6]2H)2(C[6]C[6]HH)(C[6]N[6]Rh)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[3x6]HH)2(H){1|Rh<4>,1|N<3>,4|C<4>,5|H<1>}	C[3x6](C[3x6]C[6,6]2H)2(C[6]C[6]HH)(C[6]N[6]Rh){10|H<1>,1|C<3>,3|C<4>}	H(C[3x6]C[3x6]C[6,6]2)	109.2080	0.081	2	109.2080	0.006	2	109.2080	0.006	2	107.5638	1.885	13	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:3:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-4:N[6]-3:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]N[6])(C[6,6]C[3x6]HH)2(H)	C[3x6](C[3x6]C[6,6]2H)2(C[6]O[6]HH)(N[6]C[6]H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]N[6])(C[6,6]C[3x6]HH)2(H){1|O<2>,4|C<4>,6|H<1>}	C[3x6](C[3x6]C[6,6]2H)2(C[6]O[6]HH)(N[6]C[6]H){4|C<4>,9|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	109.4360	0.018	2	109.4360	0.000	2	109.4360	0.000	2	107.5638	1.885	13	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:3:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-4:C[6]-3:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[3x6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]N[6]H)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){10|H<1>,1|N<2>,3|C<4>}	C[3x6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]N[6]H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[3x6]C[3x6]C[6,6]C[6])	108.1080	0.000	1	108.1080	0.000	1	108.1080	0.000	1	107.5638	1.885	13	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:3:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[5,6]-4:C[6]-4:N[6]-3:	C[3x6]-4:	C[3x6](C[3x6]C[5,6]C[6]N[6])(C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(H)	C[3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(N[6]C[6]H)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[5,6]C[6]N[6])(C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(H){2|C<3>,2|C<4>,3|H<1>,3|O<2>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(N[6]C[6]H){2|C<4>,2|O<1>,3|O<2>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.1430	0.000	1	107.1430	0.000	1	107.1430	0.000	1	107.5638	1.885	13	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:3:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:N[6]-3:	C[3x6]-4:	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[3x6](C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HS)(N[6]C[6]H)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){10|H<1>,1|C<3>,1|S<4>,2|C<4>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HS)(N[6]C[6]H){1|O<1>,3|C<4>,7|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	106.2230	0.000	1	106.6355	0.076	4	106.7345	0.170	6	107.5638	1.885	13	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:3:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:N[6]-3:	C[3x6]-4:	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[3x6](C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HS)(N[6]C[6]H)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){10|H<1>,1|C<3>,1|S<4>,2|C<4>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HS)(N[6]C[6]H){1|O<1>,4|C<4>,6|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	106.7730	0.000	3	106.6355	0.076	4	106.7345	0.170	6	107.5638	1.885	13	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:3:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:N[6]-3:	C[3x6]-4:	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[3x6](C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2(N[6]C[6]C)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){10|H<1>,2|C<3>,2|C<4>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2(N[6]C[6]C){2|O<1>,4|C<4>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	106.4300	0.000	1	106.4300	0.000	1	106.7345	0.170	6	107.5638	1.885	13	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:3:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:N[6]-3:	C[3x6]-4:	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[3x6](C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2(N[6]C[6]H)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){11|H<1>,1|C<4>,2|C<3>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2(N[6]C[6]H){2|O<1>,4|C<4>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.4350	0.000	1	107.4350	0.000	1	106.7345	0.170	6	107.5638	1.885	13	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-4:C-4:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6]C)(H)	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2O)(C[6]C[6]HH)(CH3)	H(C[3x6]C[3x6]2C[6,6])	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6]C)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2O)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[3x6]2C[6,6])	105.4060	0.000	1	105.4060	0.000	1	105.4060	0.000	1	107.6648	4.908	17	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]2)(C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(H)	C[3x6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]N[6]HH)	H(C[3x6]C[3x6]C[4x6]C[6,6])	C[3x6](C[3x6]C[3x6]C[6]2)(C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(H){11|H<1>,1|C<3>,1|N<3>,1|O<2>,4|C<4>}	C[3x6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]N[6]HH){1|C<3>,6|H<1>,7|C<4>}	H(C[3x6]C[3x6]C[4x6]C[6,6])	104.4740	0.000	1	104.4740	0.000	1	104.4740	0.000	1	107.6648	4.908	17	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[4x6]-4:C[3x6]-4:C[6]-4:C-4:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]C[6]C)(C[4x6]C[6,6]2C[6])(C[6]C[6]HH)(H)	C[3x6](C[4x6]C[6,6]2O[6,6])(C[3x6]C[4x6]C[6]H)(C[6]C[6]ClH)(CH3)	H(C[3x6]C[3x6]C[4x6]C[6])	C[3x6](C[3x6]C[4x6]C[6]C)(C[4x6]C[6,6]2C[6])(C[6]C[6]HH)(H){1|Cl<1>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[3x6](C[4x6]C[6,6]2O[6,6])(C[3x6]C[4x6]C[6]H)(C[6]C[6]ClH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[3x6]C[3x6]C[4x6]C[6])	107.3180	0.000	1	107.3180	0.000	1	107.3180	0.000	1	107.6648	4.908	17	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	B[3x6]-4:C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[3x6]B[3x6]C[6]2)(C[6,6]C[3x6]HH)2(H)	C[3x6](B[3x6]C[6,6]2N[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]B[3x6]C[6]2)(C[6,6]C[3x6]HH)2(H){1|N<3>,5|C<4>,6|H<1>}	C[3x6](B[3x6]C[6,6]2N[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)2{12|H<1>,2|C<3>,3|C<4>}	H(C[3x6]C[3x6]C[6,6]2)	108.9490	0.000	1	108.9490	0.000	1	108.9490	0.000	1	107.6648	4.908	17	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[3x6]HH)2(H)	C[3x6](C[3x6]C[6,6]2H)2(C[6]C[6]HH)2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[3x6]HH)2(H){5|C<4>,7|H<1>}	C[3x6](C[3x6]C[6,6]2H)2(C[6]C[6]HH)2{12|H<1>,3|C<4>}	H(C[3x6]C[3x6]C[6,6]2)	109.1245	0.165	4	109.1245	0.027	4	109.1245	0.027	4	107.6648	4.908	17	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]HH)2(H)	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(C[6]C[6]HH)2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]HH)2(H){1|N<3>,1|O<1>,3|C<4>,7|H<1>}	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(C[6]C[6]HH)2{1|C<3>,2|C<4>,9|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	111.6250	0.772	2	111.6250	0.596	2	111.6250	0.596	2	107.6648	4.908	17	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6]-4:C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[3,6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[3x6](C[3,6]C[3]C[6]O[3])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]O[6]HH)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[3,6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,3|O<2>,4|C<4>,6|H<1>}	C[3x6](C[3,6]C[3]C[6]O[3])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]O[6]HH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.4450	0.000	1	107.4450	0.000	1	107.4450	0.000	1	107.6648	4.908	17	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[3x6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]N[6]HH)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){11|H<1>,1|N<3>,3|C<4>}	C[3x6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]N[6]HH){1|C<3>,6|H<1>,7|C<4>}	H(C[3x6]C[3x6]C[6,6]C[6])	106.5380	0.000	1	106.5380	0.000	1	106.5380	0.000	1	107.6648	4.908	17	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HO)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){10|H<1>,2|O<2>,3|C<4>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HO){1|C<3>,5|C<4>,7|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	106.5060	0.000	1	106.5060	0.000	1	106.6065	0.020	2	107.6648	4.908	17	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HO)(H)	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,7|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	106.7070	0.000	1	106.7070	0.000	1	106.6065	0.020	2	107.6648	4.908	17	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[3x6]-4:C[6]-4:H-1:	C[4x6]-4:C[3x6]-4:C[6]-4:C-4:	C[3x6]-4:	C[3x6](C[4x6]C[5,6]C[6,6]O[6,6])(C[3x6]C[4x6]C[6]C)(C[6]C[6]HH)(H)	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[4x6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[3x6]C[3x6]C[4x6]C[6])	C[3x6](C[4x6]C[5,6]C[6,6]O[6,6])(C[3x6]C[4x6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[4x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[3x6]C[3x6]C[4x6]C[6])	103.7170	0.000	1	103.7170	0.000	1	103.7170	0.000	1	107.6648	4.908	17	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6]N[5,6]H)(C[3x6]C[6]3)(C[6]C[6]HH)(H)	C[3x6](C[3x6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[6]O[6]CH)	H(C[3x6]C[5,6,6]C[3x6]C[6])	C[3x6](C[5,6,6]C[5,6]N[5,6]H)(C[3x6]C[6]3)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|C<4>,8|H<1>}	C[3x6](C[3x6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[6]O[6]CH){1|N<3>,2|C<4>,7|H<1>}	H(C[3x6]C[5,6,6]C[3x6]C[6])	106.7470	0.249	2	106.7470	0.062	2	106.7470	0.062	2	107.6648	4.908	17	108.3655	3.769	414	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	3:4:4:1:	4:4:4:1:	4:	N[5,6,6]-3:C[4x6]-4:C[3x6]-4:H-1:	C[3x6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[3x6]-4:	C[3x6](N[5,6,6]C[5,3x6]C[5])(C[4x6]C[6,6]C[6x6]H)(C[3x6]C[4x6]C[6]H)(H)	C[4x6](C[3x6]N[5,6,6]C[3x6]H)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	H(C[3x6]N[5,6,6]C[3x6]C[4x6])	C[3x6](N[5,6,6]C[5,3x6]C[5])(C[4x6]C[6,6]C[6x6]H)(C[3x6]C[4x6]C[6]H)(H){1|O<2>,7|C<4>,7|H<1>}	C[4x6](C[3x6]N[5,6,6]C[3x6]H)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	H(C[3x6]N[5,6,6]C[3x6]C[4x6])	111.5600	0.000	1	111.5600	0.000	1	111.5600	0.000	1	111.5600	0.000	1	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:2:2:1:	4:3:4:1:	4:	C[4x6]-4:O[6,6]-2:O[6]-2:H-1:	C[5,4x6]-4:C[6,6,6a]-3:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6,6a]C[5,4x6]H)(O[6,6]C[3x6])(O[6]C[5,6])(H)	C[4x6](C[5,4x6]C[5,3x6]O[5,6]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]O[6,6]O[6]H)(H)	H(C[3x6]C[4x6]O[6,6]O[6])	C[3x6](C[4x6]C[6,6,6a]C[5,4x6]H)(O[6,6]C[3x6])(O[6]C[5,6])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[4x6](C[5,4x6]C[5,3x6]O[5,6]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]O[6,6]O[6]H)(H){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	H(C[3x6]C[4x6]O[6,6]O[6])	108.2685	0.141	2	108.1907	0.015	4	108.1907	0.015	4	108.1907	0.015	4	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:2:2:1:	4:3:4:1:	4:	C[4x6]-4:O[6,6]-2:O[6]-2:H-1:	C[5,4x6]-4:C[6,6,6a]-3:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6,6a]C[5,4x6]H)(O[6,6]C[3x6])(O[6]C[5,6])(H)	C[4x6](C[5,4x6]C[5,3x6]O[5,6]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]O[6,6]O[6]H)(H)	H(C[3x6]C[4x6]O[6,6]O[6])	C[3x6](C[4x6]C[6,6,6a]C[5,4x6]H)(O[6,6]C[3x6])(O[6]C[5,6])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[4x6](C[5,4x6]C[5,3x6]O[5,6]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]O[6,6]O[6]H)(H){2|C<3>,3|H<1>,5|C<4>}	H(C[3x6]C[4x6]O[6,6]O[6])	108.1130	0.014	2	108.1907	0.015	4	108.1907	0.015	4	108.1907	0.015	4	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:3:2:1:	3:4:4:1:	4:	C[4x6]-4:N[6,6]-3:O[6]-2:H-1:	C[6,6,6a]-3:C[3x6]-4:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(N[6,6]C[3x6]C)(O[6]C[6,6a])(H)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]C[6,6]C)(C[3x6]N[6,6]O[6]H)(H)	H(C[3x6]C[4x6]N[6,6]O[6])	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(N[6,6]C[3x6]C)(O[6]C[6,6a])(H){1|H<1>,2|C<4>,4|C<3>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]C[6,6]C)(C[3x6]N[6,6]O[6]H)(H){2|C<4>,3|H<1>,4|C<3>}	H(C[3x6]C[4x6]N[6,6]O[6])	108.7050	0.000	1	108.4765	0.104	2	108.4765	0.104	2	108.4765	0.104	2	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:3:2:1:	3:4:4:1:	4:	C[4x6]-4:N[6,6]-3:O[6]-2:H-1:	C[6,6,6a]-3:C[3x6]-4:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(N[6,6]C[3x6]C)(O[6]C[6,6a])(H)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]C[6,6]C)(C[3x6]N[6,6]O[6]H)(H)	H(C[3x6]C[4x6]N[6,6]O[6])	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(N[6,6]C[3x6]C)(O[6]C[6,6a])(H){3|C<4>,4|C<3>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]C[6,6]C)(C[3x6]N[6,6]O[6]H)(H){2|C<4>,3|H<1>,4|C<3>}	H(C[3x6]C[4x6]N[6,6]O[6])	108.2480	0.000	1	108.4765	0.104	2	108.4765	0.104	2	108.4765	0.104	2	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:3:2:1:	4:4:3:4:	4:	C[4x6]-4:C[6,6a]-3:O[6,6]-2:H-1:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[5,6,6]C[6,6]C[6])(C[6,6a]C[5,6,6a]C[6a])(O[6,6]C[3x6])(H)	C[4x6](C[5,6,6]C[5,6,6]O[5]H)(C[3x6]C[6,6a]O[6,6]H)(C[6,6]C[6,6]O)(C[6]C[5,6]HO)	H(C[3x6]C[6,6a]C[4x6]O[6,6])	C[3x6](C[4x6]C[5,6,6]C[6,6]C[6])(C[6,6a]C[5,6,6a]C[6a])(O[6,6]C[3x6])(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[4x6](C[5,6,6]C[5,6,6]O[5]H)(C[3x6]C[6,6a]O[6,6]H)(C[6,6]C[6,6]O)(C[6]C[5,6]HO){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[3x6]C[6,6a]C[4x6]O[6,6])	106.5340	0.000	1	106.5340	0.000	1	106.5340	0.000	1	106.5340	0.000	1	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:3:4:1:	3:4:3:4:	4:	C[4x6]-4:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-3:C[3x6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)	C[4x6](C[6,6]C[3,6,6]O)(C[3x6]C[6,6]2H)(C[6,6]C[6,6]H)(C[6]C[6]CH)	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	C[4x6](C[6,6]C[3,6,6]O)(C[3x6]C[6,6]2H)(C[6,6]C[6,6]H)(C[6]C[6]CH){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[3x6]C[4x6]C[6,6]2)	107.0510	0.284	2	107.0510	0.081	2	107.0510	0.081	2	107.0510	0.081	2	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:3:4:1:	4:3:3:4:	4:	C[4x6]-4:C[6,6]-3:C[6]-4:H-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]O)(C[6]C[6]CC)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C)(C[6,6]O[6,6]O)(C[6]C[6]HH)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]O)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	105.5960	0.000	1	105.5960	0.000	1	105.5960	0.000	1	105.5960	0.000	1	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:3:4:1:	4:4:3:1:	4:	C[4x6]-4:C[6,6]-3:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[6]C[6]HH)(H)	C[4x6](C[3x6]C[6,6]C[6]H)2(C[6,6]C[6,6]O)(H)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)2(C[6,6]C[6,6]O)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	108.4070	0.000	1	108.4070	0.000	1	108.4070	0.000	1	108.5105	0.035	4	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:3:4:1:	4:4:3:1:	4:	C[4x6]-4:C[6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(H)	C[4x6](C[3x6]C[6,6a]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6a])(H)	H(C[3x6]C[6,6a]C[4x6]C[6,6])	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(H){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[4x6](C[3x6]C[6,6a]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6a])(H){1|C<4>,4|C<3>,6|H<1>}	H(C[3x6]C[6,6a]C[4x6]C[6,6])	108.4890	0.269	2	108.5450	0.046	3	108.5450	0.046	3	108.5105	0.035	4	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:3:4:1:	4:4:3:1:	4:	C[4x6]-4:C[6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(H)	C[4x6](C[3x6]C[6,6a]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6a])(H)	H(C[3x6]C[6,6a]C[4x6]C[6,6])	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(H){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[4x6](C[3x6]C[6,6a]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6a])(H){2|C<4>,4|C<3>,5|H<1>}	H(C[3x6]C[6,6a]C[4x6]C[6,6])	108.6570	0.000	1	108.5450	0.046	3	108.5450	0.046	3	108.5105	0.035	4	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:3:4:1:	4:4:4:1:	4:	C[4x6]-4:C[6,6]-3:C[6,6]-4:H-1:	C[5,4x6]-4:C[3x6]-4:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[5,4x6]C[3x6]H)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]HH)(H)	C[4x6](C[5,4x6]C[5,3x6]2H)(C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2H)(H)	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[5,4x6]C[3x6]H)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]HH)(H){1|Cl<1>,4|H<1>,5|C<4>}	C[4x6](C[5,4x6]C[5,3x6]2H)(C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2H)(H){2|Cl<1>,1|O<1>,4|C<4>,6|H<1>}	H(C[3x6]C[4x6]C[6,6]2)	111.3130	0.000	1	111.3130	0.000	1	111.3130	0.000	1	108.7260	13.385	2	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:3:4:1:	4:4:4:1:	4:	C[4x6]-4:N[3x6]-3:C[6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[5,3x6]C[6,6]H)(N[3x6]C[3x6]C[6,6])(C[6]C[6]HH)(H)	C[4x6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]N[3x6]C[6]H)(C[6,6]C[3x6]HH)(H)	H(C[3x6]C[4x6]N[3x6]C[6])	C[3x6](C[4x6]C[5,3x6]C[6,6]H)(N[3x6]C[3x6]C[6,6])(C[6]C[6]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[4x6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]N[3x6]C[6]H)(C[6,6]C[3x6]HH)(H){5|H<1>,6|C<4>}	H(C[3x6]C[4x6]N[3x6]C[6])	106.1390	0.000	1	106.1390	0.000	1	106.1390	0.000	1	108.7260	13.385	2	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:3:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-3:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(C[6]C[6]CC)(H)	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(C[6]C[6]CC)(H){3|C<4>,3|O<2>,6|H<1>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO){1|O<1>,1|O<2>,3|H<1>,7|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	104.8970	0.000	1	104.8970	0.000	1	104.8970	0.000	1	104.8970	0.000	1	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:1:1:	4:3:3:1:	4:	C[4,3x6]-4:C[4x6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-3:C[6,6]-3:F-1:	C[3x6]-4:	C[3x6](C[4,3x6]C[4,3x6]C[4,6]H)(C[4x6]C[3x6]C[6,6]F)(H)2	C[4x6](C[3x6]C[4,3x6]HH)(C[3x6]C[4,3x6]O)(C[6,6]C[6,6]F)(F)	H(C[3x6]C[4,3x6]C[4x6]H)	C[3x6](C[4,3x6]C[4,3x6]C[4,6]H)(C[4x6]C[3x6]C[6,6]F)(H)2{1|C<3>,1|C<4>,1|O<1>,2|F<1>,2|H<1>}	C[4x6](C[3x6]C[4,3x6]HH)(C[3x6]C[4,3x6]O)(C[6,6]C[6,6]F)(F){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	H(C[3x6]C[4,3x6]C[4x6]H)	109.9410	0.580	2	109.9410	0.336	2	109.9410	0.336	2	109.9410	0.336	2	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:1:1:	4:4:3:1:	4:	C[4,3x6]-4:C[4x6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[4,3x6]C[4,3x6]C[4,6]F)(C[4x6]C[3x6]C[6,6]H)(H)2	C[4x6](C[3x6]C[4,3x6]HH)2(C[6,6]C[6,6]F)(H)	H(C[3x6]C[4,3x6]C[4x6]H)	C[3x6](C[4,3x6]C[4,3x6]C[4,6]F)(C[4x6]C[3x6]C[6,6]H)(H)2{1|C<3>,1|C<4>,2|F<1>,2|H<1>,2|O<2>}	C[4x6](C[3x6]C[4,3x6]HH)2(C[6,6]C[6,6]F)(H){2|C<4>,3|F<1>}	H(C[3x6]C[4,3x6]C[4x6]H)	109.9880	0.427	4	109.9880	0.182	4	109.9880	0.182	4	110.4146	0.367	8	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:1:1:	4:4:3:1:	4:	C[4x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[4x6]C[6,6]H)2(H)2	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]H)(H)	H(C[3x6]C[4x6]2H)	C[3x6](C[4x6]C[4x6]C[6,6]H)2(H)2{1|C<3>,2|C<4>,5|H<1>}	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[3x6]C[4x6]2H)	110.4680	0.095	2	110.8413	0.189	4	110.8413	0.189	4	110.4146	0.367	8	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:1:1:	4:4:3:1:	4:	C[4x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[4x6]C[6,6]H)2(H)2	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]H)(H)	H(C[3x6]C[4x6]2H)	C[3x6](C[4x6]C[4x6]C[6,6]H)2(H)2{1|C<3>,2|C<4>,5|H<1>}	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]H)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[3x6]C[4x6]2H)	111.2145	0.016	2	110.8413	0.189	4	110.8413	0.189	4	110.4146	0.367	8	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:H-1:H-1:	C[4,3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[4,3x6]C[6,6]H)2(H)2	C[4x6](C[4,3x6]C[4,3x6]C[4,6]C)(C[3x6]C[4x6]HH)(C[6,6]C[3x6]HH)(H)	H(C[3x6]C[4x6]2H)	C[3x6](C[4x6]C[4,3x6]C[6,6]H)2(H)2{4|C<4>,5|H<1>}	C[4x6](C[4,3x6]C[4,3x6]C[4,6]C)(C[3x6]C[4x6]HH)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[3x6]C[4x6]2H)	110.4907	0.165	6	110.4907	0.027	6	110.5294	0.022	11	110.3608	0.844	20	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:H-1:H-1:	C[4,3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[4,3x6]C[6,6]H)2(H)2	C[4x6](C[4,3x6]C[4,3x6]C[4,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[3x6]HH)(H)	H(C[3x6]C[4x6]2H)	C[3x6](C[4x6]C[4,3x6]C[6,6]H)2(H)2{4|C<4>,5|H<1>}	C[4x6](C[4,3x6]C[4,3x6]C[4,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[3x6]C[4x6]2H)	110.5758	0.124	5	110.5758	0.015	5	110.5294	0.022	11	110.3608	0.844	20	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[4x6]C[6,6]H)2(H)2	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]HH)(H)	H(C[3x6]C[4x6]2H)	C[3x6](C[4x6]C[4x6]C[6,6]H)2(H)2{1|C<3>,2|C<4>,5|H<1>}	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[3x6]C[4x6]2H)	111.1750	0.008	2	110.8380	0.070	7	110.8380	0.070	7	110.3608	0.844	20	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[4x6]C[6,6]H)2(H)2	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]HH)(H)	H(C[3x6]C[4x6]2H)	C[3x6](C[4x6]C[4x6]C[6,6]H)2(H)2{1|C<3>,2|C<4>,5|H<1>}	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[3x6]C[4x6]2H)	110.5295	0.033	2	110.8380	0.070	7	110.8380	0.070	7	110.3608	0.844	20	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[4x6]C[6,6]H)2(H)2	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]HH)(H)	H(C[3x6]C[4x6]2H)	C[3x6](C[4x6]C[4x6]C[6,6]H)2(H)2{1|C<3>,2|C<4>,6|H<1>}	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[3x6]C[4x6]2H)	110.8190	0.033	3	110.8380	0.070	7	110.8380	0.070	7	110.3608	0.844	20	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[5x6]-4:Br-1:H-1:	C[6x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]C[6x6]H)(C[5x6]C[5x6]2H)(Br)(H)	C[4x6](C[6x6]C[5x6]C[6x6]H)(C[3x6]C[5x6]BrH)(C[6,6]C[6,6]HH)(H)	H(C[3x6]C[4x6]C[5x6]Br)	C[3x6](C[4x6]C[6,6]C[6x6]H)(C[5x6]C[5x6]2H)(Br)(H){4|C<4>,5|H<1>}	C[4x6](C[6x6]C[5x6]C[6x6]H)(C[3x6]C[5x6]BrH)(C[6,6]C[6,6]HH)(H){4|C<4>,5|H<1>}	H(C[3x6]C[4x6]C[5x6]Br)	107.7635	0.032	2	107.7635	0.001	2	107.7635	0.001	2	110.3608	0.844	20	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[4x6]-4:O[6]-2:H-1:	C[3x6]-4:C[3x6]-4:O[6,6]-2:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]C[6])(H)	C[4x6](C[3x6]C[3x6]O[6]H)2(O[6,6]C[3x6])(H)	H(C[3x6]C[3x6]C[4x6]O[6])	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]C[6])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[4x6](C[3x6]C[3x6]O[6]H)2(O[6,6]C[3x6])(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[3x6]C[3x6]C[4x6]O[6])	109.1983	0.187	4	109.5165	0.149	8	109.6107	0.120	13	109.6107	0.120	13	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[4x6]-4:O[6]-2:H-1:	C[3x6]-4:C[3x6]-4:O[6,6]-2:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]C[6])(H)	C[4x6](C[3x6]C[3x6]O[6]H)2(O[6,6]C[3x6])(H)	H(C[3x6]C[3x6]C[4x6]O[6])	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]C[6])(H){2|H<1>,3|C<4>,3|O<2>}	C[4x6](C[3x6]C[3x6]O[6]H)2(O[6,6]C[3x6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]C[3x6]C[4x6]O[6])	109.7815	0.144	2	109.5165	0.149	8	109.6107	0.120	13	109.6107	0.120	13	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[4x6]-4:O[6]-2:H-1:	C[3x6]-4:C[3x6]-4:O[6,6]-2:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]C[6])(H)	C[4x6](C[3x6]C[3x6]O[6]H)2(O[6,6]C[3x6])(H)	H(C[3x6]C[3x6]C[4x6]O[6])	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]C[6])(H){2|O<2>,3|C<4>,3|H<1>}	C[4x6](C[3x6]C[3x6]O[6]H)2(O[6,6]C[3x6])(H){2|C<4>,2|O<2>,3|H<1>}	H(C[3x6]C[3x6]C[4x6]O[6])	109.8880	0.307	2	109.5165	0.149	8	109.6107	0.120	13	109.6107	0.120	13	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[4x6]-4:O[6]-2:H-1:	C[3x6]-4:C[3x6]-4:O[6,6]-2:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]S[6])(H)	C[4x6](C[3x6]C[3x6]O[6]H)2(O[6,6]C[3x6])(H)	H(C[3x6]C[3x6]C[4x6]O[6])	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]S[6])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[4x6](C[3x6]C[3x6]O[6]H)2(O[6,6]C[3x6])(H){1|C<3>,1|C<4>,1|S<3>,2|H<1>,2|O<2>}	H(C[3x6]C[3x6]C[4x6]O[6])	109.7880	0.071	2	109.7614	0.055	5	109.6107	0.120	13	109.6107	0.120	13	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[4x6]-4:O[6]-2:H-1:	C[3x6]-4:C[3x6]-4:O[6,6]-2:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]S[6])(H)	C[4x6](C[3x6]C[3x6]O[6]H)2(O[6,6]C[3x6])(H)	H(C[3x6]C[3x6]C[4x6]O[6])	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]S[6])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[4x6](C[3x6]C[3x6]O[6]H)2(O[6,6]C[3x6])(H){1|C<4>,1|S<3>,2|O<2>,3|H<1>}	H(C[3x6]C[3x6]C[4x6]O[6])	109.6200	0.345	2	109.7614	0.055	5	109.6107	0.120	13	109.6107	0.120	13	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[4x6]-4:O[6]-2:H-1:	C[3x6]-4:C[3x6]-4:O[6,6]-2:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]S[6])(H)	C[4x6](C[3x6]C[3x6]O[6]H)2(O[6,6]C[3x6])(H)	H(C[3x6]C[3x6]C[4x6]O[6])	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]S[6])(H){2|C<4>,2|H<1>,2|O<1>,2|O<2>}	C[4x6](C[3x6]C[3x6]O[6]H)2(O[6,6]C[3x6])(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>,2|O<2>}	H(C[3x6]C[3x6]C[4x6]O[6])	109.9910	0.000	1	109.7614	0.055	5	109.6107	0.120	13	109.6107	0.120	13	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:2:1:	4:4:3:1:	4:	C[4x6]-4:C[6,6]-4:O[6]-2:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-3:Br-1:	C[3x6]-4:	C[3x6](C[4x6]C[4x6]C[6,6]Br)(C[6,6]C[3x6]HH)(O[6]C[6])(H)	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]O[6]H)(C[6,6]O[6,6]O)(Br)	H(C[3x6]C[4x6]C[6,6]O[6])	C[3x6](C[4x6]C[4x6]C[6,6]Br)(C[6,6]C[3x6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]O[6]H)(C[6,6]O[6,6]O)(Br){1|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[4x6]C[6,6]O[6])	108.1620	0.000	1	108.1620	0.000	1	108.1620	0.000	1	108.6410	0.459	2	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:2:1:	4:4:3:1:	4:	C[4x6]-4:C[6]-4:O[6,6]-2:H-1:	C[4x6]-4:C[3x6]-4:C[3x6]-3:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6]C[6,6]HH)(O[6,6]C[3x6])(H)	C[4x6](C[4x6]C[3x6]O[6,6]H)(C[3x6]O[6,6]C[6]H)(C[3x6]C[3x6]C[6])(H)	H(C[3x6]C[4x6]O[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6]C[6,6]HH)(O[6,6]C[3x6])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[4x6](C[4x6]C[3x6]O[6,6]H)(C[3x6]O[6,6]C[6]H)(C[3x6]C[3x6]C[6])(H){3|C<3>,3|C<4>,4|H<1>}	H(C[3x6]C[4x6]O[6,6]C[6])	109.1200	0.000	1	109.1200	0.000	1	109.1200	0.000	1	108.6410	0.459	2	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:2:1:	4:4:3:3:	4:	C[4x6]-4:C[6,6]-4:O[6]-2:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-3:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(O[6]C[6,6a])(H)	C[4x6](C[3x6]C[6,6]O[6]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6]C[6,6a]O)	H(C[3x6]C[4x6]C[6,6]O[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(O[6]C[6,6a])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[4x6](C[3x6]C[6,6]O[6]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6]C[6,6a]O){1|C<4>,3|C<3>,4|H<1>}	H(C[3x6]C[4x6]C[6,6]O[6])	109.0370	0.000	1	109.0355	0.000	2	109.0355	0.000	2	109.0355	0.000	2	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:2:1:	4:4:3:3:	4:	C[4x6]-4:C[6,6]-4:O[6]-2:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-3:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(O[6]C[6,6a])(H)	C[4x6](C[3x6]C[6,6]O[6]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6]C[6,6a]O)	H(C[3x6]C[4x6]C[6,6]O[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(O[6]C[6,6a])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[4x6](C[3x6]C[6,6]O[6]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6]C[6,6a]O){1|C<4>,3|C<3>,4|H<1>}	H(C[3x6]C[4x6]C[6,6]O[6])	109.0340	0.000	1	109.0355	0.000	2	109.0355	0.000	2	109.0355	0.000	2	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:2:1:	4:4:4:1:	4:	C[4x6]-4:C[6,6]-4:O[6]-2:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HI)(O[6]C[6])(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]C[6,6]O[6]H)(C[6,6]C[6,6]HH)(H)	H(C[3x6]C[4x6]C[6,6]O[6])	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HI)(O[6]C[6])(H){1|O<1>,3|C<4>,4|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]C[6,6]O[6]H)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,1|I<1>,7|H<1>}	H(C[3x6]C[4x6]C[6,6]O[6])	108.7290	0.000	1	108.7290	0.000	1	108.7290	0.000	1	108.7290	0.000	1	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:2:1:	4:4:4:3:	4:	C[4x6]-4:C[5,6]-4:O[6,6]-2:H-1:	C[5,6,6]-4:C[3x6]-4:C[6]-4:C[6,6]-3:	C[3x6]-4:	C[3x6](C[4x6]C[5,6,6]C[6,6]C[6])(C[5,6]C[5,6,6a]C[5]H)(O[6,6]C[3x6])(H)	C[4x6](C[5,6,6]C[5,6,6]O[5]H)(C[3x6]C[5,6]O[6,6]H)(C[6]C[6,6a]HO)(C[6,6]C[6,6]O)	H(C[3x6]C[4x6]C[5,6]O[6,6])	C[3x6](C[4x6]C[5,6,6]C[6,6]C[6])(C[5,6]C[5,6,6a]C[5]H)(O[6,6]C[3x6])(H){1|O<1>,2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[4x6](C[5,6,6]C[5,6,6]O[5]H)(C[3x6]C[5,6]O[6,6]H)(C[6]C[6,6a]HO)(C[6,6]C[6,6]O){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[3x6]C[4x6]C[5,6]O[6,6])	108.2060	0.000	1	108.2060	0.000	1	108.2060	0.000	1	108.2060	0.000	1	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:3:1:	4:3:3:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]O)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	107.0410	0.000	1	107.0410	0.000	1	107.0410	0.000	1	107.0475	3.715	4	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:3:1:	4:3:3:4:	4:	C[6,6]-4:C[4x6]-4:C[6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C[6,6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[4x6]C[6,6]3)(C[6]O[6]O)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6,6]C[6]3)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[6,6]C[3x6]HH)(C[4x6]C[6,6]3)(C[6]O[6]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6,6]C[6]3){1|C<3>,2|O<1>,2|O<2>,3|C<4>,7|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	105.7320	0.000	1	107.0497	5.573	3	107.0497	5.573	3	107.0475	3.715	4	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:3:1:	4:3:3:4:	4:	C[6,6]-4:C[4x6]-4:C[6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C[6,6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[4x6]C[6,6]3)(C[6]O[6]O)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6,6]C[6]3)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[6,6]C[3x6]HH)(C[4x6]C[6,6]3)(C[6]O[6]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6,6]C[6]3){2|O<1>,2|O<2>,4|C<4>,7|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	109.7750	0.000	1	107.0497	5.573	3	107.0497	5.573	3	107.0475	3.715	4	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:3:1:	4:3:3:4:	4:	C[6,6]-4:C[4x6]-4:C[6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C[6,6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[4x6]C[6,6]3)(C[6]O[6]O)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6,6]C[6]3)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[6,6]C[3x6]HH)(C[4x6]C[6,6]3)(C[6]O[6]O)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6,6]C[6]3){2|O<1>,2|O<2>,4|C<4>,7|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	105.6420	0.000	1	107.0497	5.573	3	107.0497	5.573	3	107.0475	3.715	4	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:3:1:	4:4:3:1:	4:	C[4x6]-4:C[4x6]-4:C-3:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[4x6]C[6,6]H)2(CHN)(H)	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CH)(C[6,6]C[6,6]H)(H)	H(C[3x6]C[4x6]2C)	C[3x6](C[4x6]C[4x6]C[6,6]H)2(CHN)(H){1|C<3>,2|C<4>,5|H<1>}	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CH)(C[6,6]C[6,6]H)(H){2|C<4>,6|H<1>}	H(C[3x6]C[4x6]2C)	107.4250	0.000	1	107.4250	0.000	1	107.4250	0.000	1	108.3375	1.665	2	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:3:1:	4:4:3:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CH)(C[6]C[6a]C[6])(H)	C[4x6](C[3x6]C[6,6]C[6]H)2(C[6,6]C[6,6]O)(H)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CH)(C[6]C[6a]C[6])(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)2(C[6,6]C[6,6]O)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	109.2500	0.000	1	109.2500	0.000	1	109.2500	0.000	1	108.3375	1.665	2	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:3:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:C-3:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[4x6]C[6,6]H)2(CHN)(H)	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CH)(C[6,6]C[6,6]HH)(H)	H(C[3x6]C[4x6]2C)	C[3x6](C[4x6]C[4x6]C[6,6]H)2(CHN)(H){1|C<3>,2|C<4>,5|H<1>}	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[3x6]C[4x6]2C)	107.3350	0.000	1	107.3350	0.000	1	107.3350	0.000	1	110.2963	2.232	7	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:3:1:	4:4:4:1:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[4x6]-4:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[4x6](C[3x6]C[4x6]C[6,6]Cl)(C[3x6]C[6,6]2H)(C[4x6]C[3x6]2H)(H)	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	C[4x6](C[3x6]C[4x6]C[6,6]Cl)(C[3x6]C[6,6]2H)(C[4x6]C[3x6]2H)(H){2|Cl<1>,2|C<3>,3|C<4>,5|H<1>}	H(C[3x6]C[4x6]C[6,6]2)	111.1443	0.046	3	111.1443	0.002	3	111.1134	0.005	5	110.2963	2.232	7	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:3:1:	4:4:4:1:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[4x6]-4:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[4x6](C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2H)(C[4x6]C[3x6]2H)(H)	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	C[4x6](C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2H)(C[4x6]C[3x6]2H)(H){2|Cl<1>,2|C<3>,2|C<4>,6|H<1>}	H(C[3x6]C[4x6]C[6,6]2)	111.0670	0.100	2	111.0670	0.010	2	111.1134	0.005	5	110.2963	2.232	7	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:3:1:	4:4:4:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[3x6]-4:Cl-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]Cl)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[3x6]C[6]O[6]2)(Cl)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]Cl)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|Cl<1>,1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[3x6]C[6]O[6]2)(Cl){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	109.1720	0.000	1	109.1720	0.000	1	109.1720	0.000	1	110.2963	2.232	7	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:3:1:	4:4:4:2:	4:	C[4x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:O[6,6]-2:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]O)(C[6]C[6,6a]O)(H)	C[4x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3x6]HH)(C[6]C[6,6a]HH)(O[6,6]C[3x6])	H(C[3x6]C[3x6]C[4x6]C[6])	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]O)(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,6|H<1>}	C[4x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3x6]HH)(C[6]C[6,6a]HH)(O[6,6]C[3x6]){1|O<1>,2|C<3>,3|C<4>,3|O<2>}	H(C[3x6]C[3x6]C[4x6]C[6])	107.4430	0.000	1	107.4430	0.000	1	107.4430	0.000	1	107.4430	0.000	1	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:3:1:	4:4:4:3:	4:	C[4x6]-4:C[3x6]-4:C[6]-3:H-1:	C[4x6]-4:C[3x6]-4:C[6]-4:C[6]-3:	C[3x6]-4:	C[3x6](C[4x6]C[4x6]C[6]2)(C[3x6]C[6,6]2H)(C[6]C[6]H)(H)	C[4x6](C[4x6]C[4x6]O[6,6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)	H(C[3x6]C[3x6]C[4x6]C[6])	C[3x6](C[4x6]C[4x6]C[6]2)(C[3x6]C[6,6]2H)(C[6]C[6]H)(H){1|O<1>,3|O<2>,4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]O[6,6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]CH)(C[6]O[6]O){1|C<3>,4|C<4>,4|H<1>}	H(C[3x6]C[3x6]C[4x6]C[6])	94.6031	0.000	1	94.6031	0.000	1	94.6031	0.000	1	94.6031	0.000	1	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	3:4:3:3:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[3x6]-4:N[6,6]-3:N[6,6]-3:	C[3x6]-4:	C[3x6](C[4x6]C[6,6a]N[6,6]2)(C[6,6]C[3x6]C[6a]H)(C[6]C[6]HH)(H)	C[4x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(N[6,6]C[6,6]H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6a]N[6,6]2)(C[6,6]C[3x6]C[6a]H)(C[6]C[6]HH)(H){5|H<1>,6|C<3>}	C[4x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(N[6,6]C[6,6]H)2{2|C<4>,2|O<1>,3|C<3>,4|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	108.2525	0.193	2	108.2525	0.037	2	108.2525	0.037	2	108.2525	0.037	2	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	3:4:3:4:	4:	C[4x6]-4:C[3x6]-4:C[6]-4:H-1:	N[5a,6,6]-3:C[3x6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]N[5a,6,6]C[6,6]C[6])(C[3x6]C[4x6]C[6]C)(C[6]C[6]HH)(H)	C[4x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6]C[6]HH)	H(C[3x6]C[3x6]C[4x6]C[6])	C[3x6](C[4x6]N[5a,6,6]C[6,6]C[6])(C[3x6]C[4x6]C[6]C)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[4x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|C<4>,5|H<1>}	H(C[3x6]C[3x6]C[4x6]C[6])	106.7600	0.264	2	106.7600	0.070	2	106.7600	0.070	2	106.7600	0.070	2	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	3:4:4:1:	4:	C[4x6]-4:C[4x6]-4:C-4:H-1:	C[5a,6,6]-3:C[4x6]-4:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[5a,6,6]C[4x6]H)(C[4x6]C[4x6]C[6,6]H)(CH3)(H)	C[4x6](C[5a,6,6]C[5a,6,6]N[5a])(C[4x6]C[3x6]C[6,6]C)(C[3x6]C[4x6]CH)(H)	H(C[3x6]C[4x6]2C)	C[3x6](C[4x6]C[5a,6,6]C[4x6]H)(C[4x6]C[4x6]C[6,6]H)(CH3)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[4x6](C[5a,6,6]C[5a,6,6]N[5a])(C[4x6]C[3x6]C[6,6]C)(C[3x6]C[4x6]CH)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[3x6]C[4x6]2C)	106.8600	0.000	1	106.8600	0.000	1	106.8600	0.000	1	106.8600	0.000	1	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	3:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6,6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6,6a]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6]C[6]CC)(H)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HH)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6,6a]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HH){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	105.5020	0.000	1	105.3765	0.032	2	105.3765	0.032	2	105.3765	0.032	2	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	3:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6,6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6,6a]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6]C[6]CC)(H)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HH)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6,6a]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HH){2|C<3>,4|C<4>,5|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	105.2510	0.000	1	105.3765	0.032	2	105.3765	0.032	2	105.3765	0.032	2	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:2:2:4:	4:	C[3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:O[6,6]-2:O[6,6]-2:C[6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[4x6]O[6,6]2C[6])(C[6]S[6]HH)(H)	C[4x6](C[3x6]C[3x6]C[6]H)(O[6,6]C[3x6])(O[6,6]C[4x6])(C[6]C[6]HH)	H(C[3x6]C[3x6]C[4x6]C[6])	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[4x6]O[6,6]2C[6])(C[6]S[6]HH)(H){3|H<1>,4|C<4>}	C[4x6](C[3x6]C[3x6]C[6]H)(O[6,6]C[3x6])(O[6,6]C[4x6])(C[6]C[6]HH){1|S<2>,2|O<2>,3|C<4>,5|H<1>}	H(C[3x6]C[3x6]C[4x6]C[6])	107.9310	0.000	1	107.9310	0.000	1	107.9310	0.000	1	108.7265	1.266	2	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:2:2:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:O[6,6]-2:O[6,6]-2:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]O[6,6]2C[6])(C[6,6]C[5x6]HH)(C[6]C[6]HH)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(O[6,6]C[4x6])2(C[6]C[6]HH)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]O[6,6]2C[6])(C[6,6]C[5x6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(O[6,6]C[4x6])2(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	109.5220	0.000	1	109.5220	0.000	1	109.5220	0.000	1	108.7265	1.266	2	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:3:2:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-3:N[6,6]-2:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[6]HH)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6])(C[6]C[6]HH)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6])(C[6]C[6]HH){1|O<2>,3|C<4>,6|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	108.2800	0.266	2	108.2800	0.071	2	108.2800	0.071	2	107.5825	0.689	4	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:3:2:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-3:O[6,6]-2:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]CC)(C[6]C[6]HH)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(C[6]C[6]CH)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]CC)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(C[6]C[6]CH){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	106.7250	0.000	1	106.7250	0.000	1	106.8850	0.051	2	107.5825	0.689	4	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:3:2:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-3:O[6,6]-2:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]CC)(C[6]C[6]HH)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(C[6]C[6]CC)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]CC)(C[6]C[6]HH)(H){1|Br<1>,1|C<4>,3|H<1>,4|C<3>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(C[6]C[6]CC){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	107.0450	0.000	1	107.0450	0.000	1	106.8850	0.051	2	107.5825	0.689	4	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:3:3:4:	4:	C[4x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HO)(H)	C[4x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3x6]O)2(C[6]C[6]HH)	H(C[3x6]C[3x6]C[4x6]C[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HO)(H){2|O<1>,4|H<1>,7|C<4>}	C[4x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3x6]O)2(C[6]C[6]HH){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	H(C[3x6]C[3x6]C[4x6]C[6])	107.8630	0.595	2	107.8630	0.354	2	107.8630	0.354	2	107.4801	0.830	8	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:3:3:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(C[6]C[6]HH)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(C[6]C[6]HH){1|O<2>,3|C<4>,7|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	108.0860	0.000	1	108.0860	0.000	1	108.0860	0.000	1	107.4801	0.830	8	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:3:3:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-3:N[6,6]-3:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5,6]CC)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]H)(C[6]C[5,6]HH)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5,6]CC)(H){1|C<3>,1|O<1>,2|C<4>,2|N<3>,4|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]H)(C[6]C[5,6]HH){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	106.3030	0.000	2	106.3030	0.000	2	106.3030	0.000	2	107.4801	0.830	8	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:3:3:4:	4:	C[5,6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C[6]-4:	C[3x6]-4:	C[3x6](C[5,6]C[5,6,6]N[5]H)(C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(H)	C[4x6](C[3x6]C[5,6]C[6,6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)	H(C[3x6]C[4x6]C[5,6]C[6,6])	C[3x6](C[5,6]C[5,6,6]N[5]H)(C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(H){1|O<1>,1|S<4>,2|C<3>,4|C<4>,4|H<1>}	C[4x6](C[3x6]C[5,6]C[6,6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|N<3>,2|C<4>,2|O<2>,6|H<1>}	H(C[3x6]C[4x6]C[5,6]C[6,6])	107.8077	0.922	3	107.8077	0.850	3	107.8077	0.850	3	107.4801	0.830	8	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:3:4:2:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-3:C[6]-4:N[6,6]-2:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[6,6a]HH)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]N[5,6,6]O)(C[6]C[6,6a]HH)(N[6,6]C[6,6])	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]N[5,6,6]O)(C[6]C[6,6a]HH)(N[6,6]C[6,6]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	105.3790	0.000	1	105.3790	0.000	1	105.3790	0.000	1	105.3790	0.000	1	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:3:4:3:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-3:C[6]-4:N[6,6]-3:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5a,6]CC)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]N[5,6,6]O)(C[6]C[5a,6]HH)(N[6,6]C[6,6]H)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5a,6]CC)(H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,3|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]N[5,6,6]O)(C[6]C[5a,6]HH)(N[6,6]C[6,6]H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	106.2892	0.211	4	106.2892	0.044	4	106.2892	0.044	4	106.2892	0.044	4	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:3:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-3:C[6,6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]C[3x6]C[6])(C[6,6]O[6,6]HO)(C[6]C[6]HH)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]C[3x6]C[6])(C[6,6]O[6,6]HO)(C[6]C[6]HH){1|O<2>,5|H<1>,6|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	104.4790	0.000	1	104.4790	0.000	1	104.4790	0.000	1	104.4790	0.000	1	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:2:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:O[6,6]-2:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]O[6,6]H)(C[6,6]N[3x6]C[6a]H)(C[6]C[6a]N[6]H)(H)	C[4x6](C[3x6]C[6,6]C[6]H)2(O[6,6]C[6,6])(H)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]O[6,6]H)(C[6,6]N[3x6]C[6a]H)(C[6]C[6a]N[6]H)(H){2|H<1>,3|C<4>,4|C<3>}	C[4x6](C[3x6]C[6,6]C[6]H)2(O[6,6]C[6,6])(H){2|N<3>,4|C<3>,6|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	109.2355	0.218	2	109.2355	0.048	2	109.2355	0.048	2	109.2355	0.048	2	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:2:2:	4:	C[3,6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:O[6,6]-2:O-2:	C[3x6]-4:	C[3x6](C[3,6]C[3,6,6]O[3]H)(C[4x6]C[3x6]O[6,6]O)(C[6,6]C[3x6]HO)(H)	C[4x6](C[3x6]C[3,6]C[6,6]H)(C[3x6]C[6,6]2C)(O[6,6]C[6,6])(OH)	H(C[3x6]C[3,6]C[4x6]C[6,6])	C[3x6](C[3,6]C[3,6,6]O[3]H)(C[4x6]C[3x6]O[6,6]O)(C[6,6]C[3x6]HO)(H){6|C<4>}	C[4x6](C[3x6]C[3,6]C[6,6]H)(C[3x6]C[6,6]2C)(O[6,6]C[6,6])(OH){2|O<2>,4|C<4>,6|H<1>}	H(C[3x6]C[3,6]C[4x6]C[6,6])	108.2610	0.000	1	108.2610	0.000	1	108.2610	0.000	1	108.0850	0.449	5	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:2:2:	4:	C[3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:O[6,6]-2:O-2:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[4x6]C[3x6]O[6,6]O)(C[6]S[6]HH)(H)	C[4x6](C[3x6]C[3x6]C[6]H)2(O[6,6]C[4x6])(OH)	H(C[3x6]C[3x6]C[4x6]C[6])	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[4x6]C[3x6]O[6,6]O)(C[6]S[6]HH)(H){2|H<1>,4|C<4>}	C[4x6](C[3x6]C[3x6]C[6]H)2(O[6,6]C[4x6])(OH){1|S<2>,2|O<2>,3|C<4>,5|H<1>}	H(C[3x6]C[3x6]C[4x6]C[6])	107.5010	0.000	1	107.5010	0.000	1	107.5010	0.000	1	108.0850	0.449	5	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:2:2:	4:	C[4x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:O[6,6]-2:O-2:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]O[6,6]O)(C[3x6]O[6,6]2C)(C[6]S[6]HH)(H)	C[4x6](C[3x6]C[3x6]C[6]H)2(O[6,6]C[4x6])(OH)	H(C[3x6]C[3x6]C[4x6]C[6])	C[3x6](C[4x6]C[3x6]O[6,6]O)(C[3x6]O[6,6]2C)(C[6]S[6]HH)(H){1|H<1>,3|C<4>}	C[4x6](C[3x6]C[3x6]C[6]H)2(O[6,6]C[4x6])(OH){1|S<2>,2|O<2>,3|C<4>,5|H<1>}	H(C[3x6]C[3x6]C[4x6]C[6])	107.2670	0.000	1	107.2670	0.000	1	107.2670	0.000	1	108.0850	0.449	5	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:2:2:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:O[6,6]-2:O-2:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]O[6,6]O)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C[4x6](C[3x6]C[6,6]C[6]H)2(O[6,6]C[6,6])(OH)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]O[6,6]O)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)2(O[6,6]C[6,6])(OH){1|O<1>,2|C<4>,8|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	108.6980	0.054	2	108.6980	0.003	2	108.6980	0.003	2	108.0850	0.449	5	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:3:1:	4:	C[4x6]-4:C[4x6]-4:C-4:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[5a,6,6]C[4x6]H)(C[4x6]C[4x6]C[6,6]H)(CH3)(H)	C[4x6](C[4x6]C[5a,6,6]C[3x6]C)(C[3x6]C[4x6]CH)(C[6,6]C[6,6]O)(H)	H(C[3x6]C[4x6]2C)	C[3x6](C[4x6]C[5a,6,6]C[4x6]H)(C[4x6]C[4x6]C[6,6]H)(CH3)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[4x6](C[4x6]C[5a,6,6]C[3x6]C)(C[3x6]C[4x6]CH)(C[6,6]C[6,6]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[3x6]C[4x6]2C)	106.8370	0.000	1	106.8370	0.000	1	106.8370	0.000	1	107.9503	0.401	7	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:3:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-3:Cl-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]Cl)(C[6,6]C[3x6]HH)(C[6]O[6]HH)(H)	C[4x6](C[3x6]C[6,6]C[6]H)2(C[6,6]N[6,6]O)(Cl)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]Cl)(C[6,6]C[3x6]HH)(C[6]O[6]HH)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[4x6](C[3x6]C[6,6]C[6]H)2(C[6,6]N[6,6]O)(Cl){1|C<4>,1|O<2>,9|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	107.2980	0.000	1	107.2980	0.000	1	107.2980	0.000	1	107.9503	0.401	7	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:3:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6,6a]CH)(H)	C[4x6](C[3x6]C[6,6a]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6a])(H)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6,6a]CH)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[4x6](C[3x6]C[6,6a]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6a])(H){2|C<4>,4|C<3>,5|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	108.1940	0.000	1	108.1940	0.000	1	108.3034	0.029	5	107.9503	0.401	7	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:3:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6,6a]HH)(H)	C[4x6](C[3x6]C[6,6a]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6a])(H)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[4x6](C[3x6]C[6,6a]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6a])(H){1|C<4>,4|C<3>,6|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	108.2235	0.217	2	108.2235	0.047	2	108.3034	0.029	5	107.9503	0.401	7	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:3:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]N[6]HH)(H)	C[4x6](C[3x6]C[6,6]C[6]H)2(C[6,6]C[6,6]H)(H)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]N[6]HH)(H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)2(C[6,6]C[6,6]H)(H){1|C<4>,2|N<3>,8|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	108.4380	0.088	2	108.4380	0.008	2	108.3034	0.029	5	107.9503	0.401	7	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:3:2:	4:	C[4x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[5,6]-4:C[6,6]-3:O[6,6]-2:	C[3x6]-4:	C[3x6](C[4x6]C[5,6]C[6,6]O[6,6])(C[3x6]C[4x6]C[6]C)(C[6]C[6]HH)(H)	C[4x6](C[3x6]C[3x6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]H)(O[6,6]O[6,6])	H(C[3x6]C[3x6]C[4x6]C[6])	C[3x6](C[4x6]C[5,6]C[6,6]O[6,6])(C[3x6]C[4x6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[4x6](C[3x6]C[3x6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]H)(O[6,6]O[6,6]){5|H<1>,7|C<4>}	H(C[3x6]C[3x6]C[4x6]C[6])	103.7820	0.000	1	103.7820	0.000	1	103.7820	0.000	1	106.0320	10.125	2	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:3:2:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:O[6]-2:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2O[6])(C[6,6]C[3x6]HO)(C[6]C[6]CH)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(O[6]C[6])	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]2O[6])(C[6,6]C[3x6]HO)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(O[6]C[6]){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	108.2820	0.000	1	108.2820	0.000	1	108.2820	0.000	1	106.0320	10.125	2	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:3:3:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C[6,6]-3:N[6,6]-3:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5a,6]CC)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6]C[5a,6]C[6a]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]H)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5a,6]CC)(H){1|C<4>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6]C[5a,6]C[6a]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>,4|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	106.7180	0.000	1	106.7180	0.000	1	106.7180	0.000	1	106.7180	0.000	1	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:3:4:	4:	C[3x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]2)(C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HO)(H)	C[4x6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[6]C[6]HH)	H(C[3x6]C[3x6]C[4x6]C[6,6])	C[3x6](C[3x6]C[3x6]C[6]2)(C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HO)(H){1|C<3>,1|N<2>,1|O<1>,4|C<4>,9|H<1>}	C[4x6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	H(C[3x6]C[3x6]C[4x6]C[6,6])	105.2950	0.000	1	105.2950	0.000	1	105.2950	0.000	1	106.3073	1.217	31	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:3:4:	4:	C[3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]C[6]C)(C[4x6]C[6,6]2C[6])(C[6]C[6]HH)(H)	C[4x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	H(C[3x6]C[3x6]C[4x6]C[6])	C[3x6](C[3x6]C[4x6]C[6]C)(C[4x6]C[6,6]2C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|O<1>,4|H<1>,5|C<4>}	C[4x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	H(C[3x6]C[3x6]C[4x6]C[6])	106.7430	0.000	1	107.0040	0.136	2	107.0040	0.136	2	106.3073	1.217	31	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:3:4:	4:	C[3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]C[6]C)(C[4x6]C[6,6]2C[6])(C[6]C[6]HH)(H)	C[4x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	H(C[3x6]C[3x6]C[4x6]C[6])	C[3x6](C[3x6]C[4x6]C[6]C)(C[4x6]C[6,6]2C[6])(C[6]C[6]HH)(H){1|Cl<1>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[4x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(C[6]C[6]HH){4|C<4>,6|H<1>}	H(C[3x6]C[3x6]C[4x6]C[6])	107.2650	0.000	1	107.0040	0.136	2	107.0040	0.136	2	106.3073	1.217	31	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:3:4:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6]C[6]HH)	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){1|C<3>,5|C<4>,8|H<1>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6]C[6]HH){5|C<4>,6|H<1>}	H(C[3x6]C[4x6]C[6,6]2)	106.1113	0.087	3	105.8724	0.076	8	105.8380	0.077	9	106.3073	1.217	31	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:3:4:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6]C[6]HH)	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){1|C<3>,5|C<4>,8|H<1>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6]C[6]HH){5|H<1>,6|C<4>}	H(C[3x6]C[4x6]C[6,6]2)	105.4720	0.000	1	105.8724	0.076	8	105.8380	0.077	9	106.3073	1.217	31	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:3:4:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6]C[6]HH)	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){2|C<3>,4|C<4>,8|H<1>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6]C[6]HH){1|C<3>,5|C<4>,5|H<1>}	H(C[3x6]C[4x6]C[6,6]2)	105.9003	0.108	3	105.8724	0.076	8	105.8380	0.077	9	106.3073	1.217	31	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:3:4:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6]C[6]HH)	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){2|C<3>,4|C<4>,8|H<1>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6]C[6]HH){5|C<4>,6|H<1>}	H(C[3x6]C[4x6]C[6,6]2)	105.4720	0.000	1	105.8724	0.076	8	105.8380	0.077	9	106.3073	1.217	31	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:3:4:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[6]C[6]HH)	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<1>,4|C<4>,8|H<1>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|C<3>,4|C<4>,6|H<1>}	H(C[3x6]C[4x6]C[6,6]2)	105.5630	0.000	1	105.5630	0.000	1	105.8380	0.077	9	106.3073	1.217	31	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:3:4:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[5,6,6]C[6,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[6,6]2H)(C[6,6]C[6,6]H)(C[6]C[6]HH)	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[5,6,6]C[6,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){2|C<3>,4|C<4>,8|H<1>}	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[6,6]2H)(C[6,6]C[6,6]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,5|C<4>,5|H<1>}	H(C[3x6]C[4x6]C[6,6]2)	106.0495	0.332	2	106.1167	0.053	4	106.1167	0.053	4	106.3073	1.217	31	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:3:4:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[5,6,6]C[6,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[6,6]2H)(C[6,6]C[6,6]H)(C[6]C[6]HH)	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[5,6,6]C[6,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){2|C<3>,4|C<4>,8|H<1>}	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[6,6]2H)(C[6,6]C[6,6]H)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,5|C<4>,5|H<1>}	H(C[3x6]C[4x6]C[6,6]2)	106.1840	0.175	2	106.1167	0.053	4	106.1167	0.053	4	106.3073	1.217	31	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:3:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-3:C[6,6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[4x6]HO)(C[6]C[6]CC)(H)	C[4x6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6])(C[6,6]O[6,6]HH)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[4x6]HO)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,3|O<2>,5|H<1>}	C[4x6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6])(C[6,6]O[6,6]HH){1|C<3>,1|O<2>,3|H<1>,8|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	103.7120	0.000	1	103.7120	0.000	1	103.7120	0.000	1	106.3073	1.217	31	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:3:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[3x6]-3:C[6,6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(C[6]C[3x6]HH)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]O[6]H)(C[3x6]C[3x6]C[6])(C[6,6]O[6,6]CH)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(C[6]C[3x6]HH)(H){2|C<3>,3|C<4>,3|H<1>,3|O<2>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]O[6]H)(C[3x6]C[3x6]C[6])(C[6,6]O[6,6]CH){2|C<3>,3|C<4>,6|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	107.8980	0.000	1	107.8980	0.000	1	107.8980	0.000	1	106.3073	1.217	31	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:3:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6]N[6]HH)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,8|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6]N[6]HH){1|N<3>,1|S<4>,2|C<4>,6|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	108.2900	0.000	1	108.2900	0.000	1	107.9515	0.229	2	106.3073	1.217	31	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:3:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[6]C[6]HH)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<1>,5|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|C<4>,2|C<3>,8|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	107.6130	0.000	1	107.6130	0.000	1	107.9515	0.229	2	106.3073	1.217	31	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:3:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:N[6,6]-3:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5,6]CC)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]N[5,6,6]HH)(N[6,6]C[6,6]H)(C[6]C[5,6]HH)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5,6]CC)(H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,5|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]N[5,6,6]HH)(N[6,6]C[6,6]H)(C[6]C[5,6]HH){1|O<1>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	106.7160	0.000	1	106.7160	0.000	1	106.5390	0.030	3	106.3073	1.217	31	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:3:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:N[6,6]-3:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[6]C[6]HH)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,9|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[6]C[6]HH){2|O<1>,5|C<4>,8|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	106.4505	0.118	2	106.4505	0.014	2	106.5390	0.030	3	106.3073	1.217	31	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:3:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[5,6,6]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C[4x6](C[5,6,6]C[5,6,6]O[5]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6]C[6]HH)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[5,6,6]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[4x6](C[5,6,6]C[5,6,6]O[5]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6]C[6]HH){1|O<2>,3|C<4>,8|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	107.8783	0.275	4	107.8783	0.076	4	107.8783	0.076	4	106.3073	1.217	31	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:3:4:	4:	C[4x6]-4:C[6,6]-4:Si[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]CH)(Si[6]O[6]CC)(H)	C[4x6](C[3x6]C[6,6]Si[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6]C[6]CH)	H(C[3x6]C[4x6]C[6,6]Si[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]CH)(Si[6]O[6]CC)(H){1|C<3>,4|C<4>,4|H<1>}	C[4x6](C[3x6]C[6,6]Si[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6]C[6]CH){1|O<2>,4|C<4>,6|H<1>}	H(C[3x6]C[4x6]C[6,6]Si[6])	105.5710	0.000	1	105.5710	0.000	1	104.9803	0.262	3	106.3073	1.217	31	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:3:4:	4:	C[4x6]-4:C[6,6]-4:Si[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]CH)(Si[6]O[6]CC)(H)	C[4x6](C[3x6]C[6,6]Si[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[6]C[6]CH)	H(C[3x6]C[4x6]C[6,6]Si[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]CH)(Si[6]O[6]CC)(H){1|O<1>,3|H<1>,5|C<4>}	C[4x6](C[3x6]C[6,6]Si[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[6]C[6]CH){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[3x6]C[4x6]C[6,6]Si[6])	104.6850	0.000	2	104.6850	0.000	2	104.9803	0.262	3	106.3073	1.217	31	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,4x6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-3:C[6,6]-4:	C[3x6]-4:	C[3x6](C[5,4x6]C[5,6,6]C[4x6]C[5])(C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)	C[4x6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6])(C[6,6]O[6,6]HH)	H(C[3x6]C[5,4x6]C[4x6]C[6])	C[3x6](C[5,4x6]C[5,6,6]C[4x6]C[5])(C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,4|O<2>,6|H<1>}	C[4x6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6])(C[6,6]O[6,6]HH){1|C<3>,1|O<2>,3|H<1>,8|C<4>}	H(C[3x6]C[5,4x6]C[4x6]C[6])	105.6300	0.000	1	105.6300	0.000	1	105.6300	0.000	1	106.3073	1.217	31	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,6,6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[4x6]-4:H-1:	C[3x6]-4:	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(H)	C[4x6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2Cl)(C[4x6]C[3x6]2H)(H)	H(C[3x6]C[3,6,6]C[4x6]C[6,6])	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(H){1|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	C[4x6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2Cl)(C[4x6]C[3x6]2H)(H){2|Cl<1>,1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[3x6]C[3,6,6]C[4x6]C[6,6])	110.4140	0.165	2	110.4140	0.027	2	110.4140	0.027	2	109.8850	0.259	5	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[4x6]-4:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H)	C[4x6](C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2H)(C[4x6]C[3x6]2H)(H)	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H){1|Br<1>,1|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	C[4x6](C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2H)(C[4x6]C[3x6]2H)(H){1|Br<1>,2|Cl<1>,1|C<3>,3|C<4>,6|H<1>}	H(C[3x6]C[4x6]C[6,6]2)	109.6295	0.144	2	109.6295	0.021	2	109.6295	0.021	2	109.8850	0.259	5	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]C[6,6]O[6]H)(C[6,6]C[6,6]HH)(H)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]C[6,6]O[6]H)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,1|I<1>,7|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	109.3380	0.000	1	109.3380	0.000	1	109.3380	0.000	1	109.8850	0.259	5	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:2:	4:	C[3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[4x6]-4:C[3x6]-4:O-2:	C[3x6]-4:	C[3x6](C[3x6]N[5,6,6]C[4x6]H)(C[4x6]C[5,3x6]C[4x6]O)(C[6]C[6]HH)(H)	C[4x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[4x6]C[6,6]C[6x6]H)(C[3x6]C[3x6]C[6]H)(OH)	H(C[3x6]C[3x6]C[4x6]C[6])	C[3x6](C[3x6]N[5,6,6]C[4x6]H)(C[4x6]C[5,3x6]C[4x6]O)(C[6]C[6]HH)(H){5|H<1>,6|C<4>}	C[4x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[4x6]C[6,6]C[6x6]H)(C[3x6]C[3x6]C[6]H)(OH){1|N<3>,6|H<1>,7|C<4>}	H(C[3x6]C[3x6]C[4x6]C[6])	113.0620	0.000	1	113.0620	0.000	1	113.0620	0.000	1	113.0620	0.000	1	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:3:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-3:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HO)2(C[6]C[6]O)	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,6|H<1>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HO)2(C[6]C[6]O){1|C<3>,4|C<4>,6|H<1>}	H(C[3x6]C[4x6]C[6,6]2)	104.5510	0.000	1	104.5510	0.000	1	104.5510	0.000	1	106.2539	1.481	11	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:3:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-3:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6,6]O)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6,6]O){1|C<3>,2|O<2>,3|H<1>,7|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	106.8640	0.000	1	106.8640	0.000	1	105.3393	2.182	3	106.2539	1.481	11	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:3:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-3:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]O)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]O){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	105.2390	0.000	1	105.2390	0.000	1	105.3393	2.182	3	106.2539	1.481	11	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:3:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-3:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[4x6]HO)(C[6]C[6]CC)(H)	C[4x6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]H)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[4x6]HO)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,3|O<2>,5|H<1>}	C[4x6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]H){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	103.9150	0.000	1	103.9150	0.000	1	105.3393	2.182	3	106.2539	1.481	11	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:3:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-3:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]S[6,6]HH)(C[6]C[6]O)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|O<1>,1|S<3>,3|C<4>,6|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]S[6,6]HH)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	107.3605	0.110	2	107.3605	0.012	2	107.3605	0.012	2	106.2539	1.481	11	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-3:	C[3x6]-4:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6,6]O)	H(C[3x6]C[5,3x6]C[4x6]C[6])	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,2|O<1>,3|O<2>,4|C<4>,6|H<1>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6,6]O){1|C<3>,2|O<2>,3|H<1>,7|C<4>}	H(C[3x6]C[5,3x6]C[4x6]C[6])	106.5670	0.000	1	106.5670	0.000	1	107.0695	0.505	2	106.2539	1.481	11	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-3:	C[3x6]-4:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]O)	H(C[3x6]C[5,3x6]C[4x6]C[6])	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,2|O<1>,3|O<2>,4|C<4>,6|H<1>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]O){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[3x6]C[5,3x6]C[4x6]C[6])	107.5720	0.000	1	107.5720	0.000	1	107.0695	0.505	2	106.2539	1.481	11	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,4x6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-3:	C[3x6]-4:	C[3x6](C[5,4x6]C[5,6,6]C[4x6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[4x6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]H)	H(C[3x6]C[5,4x6]C[4x6]C[6])	C[3x6](C[5,4x6]C[5,6,6]C[4x6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,3|O<2>,7|H<1>}	C[4x6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]H){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	H(C[3x6]C[5,4x6]C[4x6]C[6])	106.0070	0.000	1	106.0070	0.000	1	106.0070	0.000	1	106.2539	1.481	11	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[4x6]-4:C[6]-4:H-1:	C[6,6]-4:C[3x6]-4:C[6,6]-4:C[6,6]-3:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]HO)(H)	C[4x6](C[6,6]C[5,6,6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6,6]C[6,6]O)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,2|C<4>,2|O<1>,4|H<1>}	C[4x6](C[6,6]C[5,6,6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6,6]C[6,6]O){1|O<2>,3|C<3>,3|H<1>,5|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	106.2770	0.000	1	106.6785	0.322	2	106.6785	0.322	2	106.2539	1.481	11	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[4x6]-4:C[6]-4:H-1:	C[6,6]-4:C[3x6]-4:C[6,6]-4:C[6,6]-3:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]HO)(H)	C[4x6](C[6,6]C[5,6,6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6,6]C[6,6]O)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]HO)(H){1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C[4x6](C[6,6]C[5,6,6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6,6]C[6,6]O){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	107.0800	0.000	1	106.6785	0.322	2	106.6785	0.322	2	106.2539	1.481	11	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]2)(C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(H)	C[4x6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[6]C[6]HH)	H(C[3x6]C[3x6]C[4x6]C[6,6])	C[3x6](C[3x6]C[3x6]C[6]2)(C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(H){11|H<1>,1|C<3>,1|N<3>,1|O<2>,4|C<4>}	C[4x6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[6]C[6]HH){1|C<3>,4|C<4>,6|H<1>}	H(C[3x6]C[3x6]C[4x6]C[6,6])	104.4440	0.000	1	104.4440	0.000	1	104.4440	0.000	1	106.6098	2.595	61	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(H)	C[4x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO)	H(C[3x6]C[3x6]C[4x6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(H){4|C<4>,4|O<2>,7|H<1>}	C[4x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO){1|O<2>,6|C<4>,6|H<1>}	H(C[3x6]C[3x6]C[4x6]C[6])	106.7490	0.000	1	106.7490	0.000	1	106.7490	0.000	1	106.6098	2.595	61	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[5,3x6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[3,6,6]C[3x6]C[6,6])(C[5,3x6]C[3x6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[4x6](C[3,6,6]C[3,6,6]O[3]O[6])(C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)	H(C[3x6]C[5,3x6]C[4x6]C[6])	C[3x6](C[4x6]C[3,6,6]C[3x6]C[6,6])(C[5,3x6]C[3x6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|O<2>,6|H<1>}	C[4x6](C[3,6,6]C[3,6,6]O[3]O[6])(C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH){1|C<3>,1|O<2>,3|H<1>,8|C<4>}	H(C[3x6]C[5,3x6]C[4x6]C[6])	105.4290	0.000	1	105.4290	0.000	1	105.4290	0.000	1	106.6098	2.595	61	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]O[5]H)(C[6]C[6]CC)(H)	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[5,6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO)	H(C[3x6]C[5,6,6]C[4x6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]O[5]H)(C[6]C[6]CC)(H){1|C<3>,3|C<4>,3|O<2>,6|H<1>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[5,6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[3x6]C[5,6,6]C[4x6]C[6])	104.8555	0.127	4	104.8555	0.016	4	104.8555	0.016	4	106.6098	2.595	61	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH)	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){10|H<1>,1|C<3>,4|C<4>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH){1|C<3>,4|C<4>,6|H<1>}	H(C[3x6]C[4x6]C[6,6]2)	104.8900	0.000	1	105.0023	0.023	7	105.0023	0.023	7	106.6098	2.595	61	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH)	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){10|H<1>,1|C<3>,4|C<4>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	H(C[3x6]C[4x6]C[6,6]2)	105.1755	0.025	2	105.0023	0.023	7	105.0023	0.023	7	106.6098	2.595	61	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH)	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){10|H<1>,2|C<3>,3|C<4>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	H(C[3x6]C[4x6]C[6,6]2)	105.0580	0.000	1	105.0023	0.023	7	105.0023	0.023	7	106.6098	2.595	61	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH)	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){10|H<1>,5|C<4>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH){1|O<2>,5|C<4>,6|H<1>}	H(C[3x6]C[4x6]C[6,6]2)	104.8990	0.000	1	105.0023	0.023	7	105.0023	0.023	7	106.6098	2.595	61	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH)	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){1|O<2>,5|C<4>,9|H<1>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH){1|O<2>,5|C<4>,6|H<1>}	H(C[3x6]C[4x6]C[6,6]2)	104.9090	0.178	2	105.0023	0.023	7	105.0023	0.023	7	106.6098	2.595	61	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[3,6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	C[4x6](C[3,6,6]C[3,6,6]O[3]O[6])(C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3,6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){3|C<4>,4|O<2>,5|H<1>}	C[4x6](C[3,6,6]C[3,6,6]O[3]O[6])(C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH){1|C<3>,1|O<2>,3|H<1>,8|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	104.4860	0.000	1	104.4860	0.000	1	104.4860	0.000	1	106.6098	2.595	61	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C-4:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]CH)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]C[6,6]C[6]O)(C[6,6]C[6,6]HH)(CH3)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]CH)(H){1|O<2>,3|C<4>,5|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]C[6,6]C[6]O)(C[6,6]C[6,6]HH)(CH3){5|C<4>,7|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	107.9060	0.000	1	107.9060	0.000	1	108.4862	0.235	4	106.6098	2.595	61	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C-4:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]O[6,6]C[6]C)(C[6,6]C[6,6]HH)(CH3)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]O[6,6]C[6]C)(C[6,6]C[6,6]HH)(CH3){1|Br<1>,1|C<3>,1|C<4>,6|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	108.6797	0.359	3	108.6797	0.129	3	108.4862	0.235	4	106.6098	2.595	61	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6]C[6]CC)(H)	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HO)(C[6]C[6]HO)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6]C[6]CC)(H){3|C<4>,3|O<2>,6|H<1>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HO)(C[6]C[6]HO){1|C<3>,6|C<4>,6|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	105.2860	0.000	1	105.2860	0.000	1	105.4343	0.211	10	106.6098	2.595	61	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	C[4x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){3|C<4>,3|O<2>,6|H<1>}	C[4x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO){1|O<2>,6|C<4>,6|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	104.9880	0.000	1	104.9880	0.000	1	105.4343	0.211	10	106.6098	2.595	61	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){3|C<4>,3|O<2>,6|H<1>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	104.8330	0.000	1	105.4101	0.182	7	105.4343	0.211	10	106.6098	2.595	61	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){3|C<4>,3|O<2>,6|H<1>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO){1|C<3>,2|O<2>,4|H<1>,6|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	105.7140	0.000	1	105.4101	0.182	7	105.4343	0.211	10	106.6098	2.595	61	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){3|C<4>,3|O<2>,6|H<1>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO){1|O<2>,5|H<1>,7|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	105.4077	0.411	3	105.4101	0.182	7	105.4343	0.211	10	106.6098	2.595	61	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){3|C<4>,3|O<2>,6|H<1>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO){2|O<2>,4|H<1>,7|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	105.5505	0.540	2	105.4101	0.182	7	105.4343	0.211	10	106.6098	2.595	61	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]N[5a]C[6]H)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){1|C<3>,1|N<3>,2|C<4>,2|O<2>,5|H<1>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]N[5a]C[6]H){1|N<2>,1|O<2>,3|C<3>,4|H<1>,5|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	106.1980	0.000	1	106.1980	0.000	1	105.4343	0.211	10	106.6098	2.595	61	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6]C[6]HH)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,8|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|O<1>,2|C<4>,8|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	107.0780	0.000	1	107.0780	0.000	1	107.2895	0.065	4	106.6098	2.595	61	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[6]C[6]HH)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[6]C[6]HH){1|C<3>,2|C<4>,8|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	107.1470	0.000	1	107.1470	0.000	1	107.2895	0.065	4	106.6098	2.595	61	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH){1|C<4>,2|C<3>,8|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	107.6510	0.000	1	107.6510	0.000	1	107.2895	0.065	4	106.6098	2.595	61	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]O[6]HH)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]O[6]HH){1|C<3>,2|C<4>,6|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	107.2820	0.000	1	107.2820	0.000	1	107.2895	0.065	4	106.6098	2.595	61	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:C-4:	C[3x6]-4:	C[3x6](C[4x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C[4x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(CH3)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[4x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(CH3){1|O<1>,4|C<4>,7|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	107.7395	0.101	2	108.5737	0.267	9	108.5737	0.267	9	106.6098	2.595	61	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:C-4:	C[3x6]-4:	C[3x6](C[4x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C[4x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(CH3)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[4x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	108.7150	0.318	2	108.5737	0.267	9	108.5737	0.267	9	106.6098	2.595	61	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:C-4:	C[3x6]-4:	C[3x6](C[4x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C[4x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(CH3)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[4x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	108.8508	0.229	5	108.5737	0.267	9	108.5737	0.267	9	106.6098	2.595	61	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6]-4:C[3x6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6]C[6,6]C[6a]H)(C[3x6]C[6,6]2H)(H)	C[4x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3x6]HH)2(C[6]C[6,6]HH)	H(C[3x6]C[3x6]C[4x6]C[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[6]C[6,6]C[6a]H)(C[3x6]C[6,6]2H)(H){10|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[4x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3x6]HH)2(C[6]C[6,6]HH){2|C<3>,4|H<1>,5|C<4>}	H(C[3x6]C[3x6]C[4x6]C[6])	106.5280	0.000	1	106.5280	0.000	1	106.5280	0.000	1	106.6098	2.595	61	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO)	H(C[3x6]C[5,3x6]C[4x6]C[6])	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,4|O<2>,7|H<1>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[3x6]C[5,3x6]C[4x6]C[6])	107.4410	0.000	1	107.1603	0.081	4	106.6145	1.735	14	106.6098	2.595	61	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO)	H(C[3x6]C[5,3x6]C[4x6]C[6])	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|O<2>,9|H<1>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO){1|O<2>,5|H<1>,7|C<4>}	H(C[3x6]C[5,3x6]C[4x6]C[6])	106.9215	0.112	2	107.1603	0.081	4	106.6145	1.735	14	106.6098	2.595	61	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO)	H(C[3x6]C[5,3x6]C[4x6]C[6])	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,5|O<2>,8|H<1>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO){1|O<2>,5|H<1>,7|C<4>}	H(C[3x6]C[5,3x6]C[4x6]C[6])	107.3570	0.000	1	107.1603	0.081	4	106.6145	1.735	14	106.6098	2.595	61	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]N[5a]C[6]H)	H(C[3x6]C[5,3x6]C[4x6]C[6])	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|O<2>,7|H<1>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]N[5a]C[6]H){1|N<2>,1|O<2>,3|C<3>,4|H<1>,5|C<4>}	H(C[3x6]C[5,3x6]C[4x6]C[6])	109.8610	0.000	1	109.8610	0.000	1	106.6145	1.735	14	106.6098	2.595	61	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HO)(C[6]C[6]HO)	H(C[3x6]C[5,3x6]C[4x6]C[6])	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,4|O<2>,7|H<1>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HO)(C[6]C[6]HO){1|C<3>,6|C<4>,6|H<1>}	H(C[3x6]C[5,3x6]C[4x6]C[6])	107.0220	0.000	1	107.0220	0.000	1	106.6145	1.735	14	106.6098	2.595	61	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HO)(H)	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO)	H(C[3x6]C[5,3x6]C[4x6]C[6])	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HO)(H){1|C<3>,1|O<1>,3|O<2>,4|C<4>,8|H<1>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO){1|C<3>,2|O<2>,4|H<1>,6|C<4>}	H(C[3x6]C[5,3x6]C[4x6]C[6])	105.0520	0.000	1	105.7025	1.914	4	106.6145	1.735	14	106.6098	2.595	61	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HO)(H)	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO)	H(C[3x6]C[5,3x6]C[4x6]C[6])	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HO)(H){1|C<3>,4|C<4>,4|O<2>,9|H<1>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO){2|O<2>,4|H<1>,7|C<4>}	H(C[3x6]C[5,3x6]C[4x6]C[6])	106.3425	2.026	2	105.7025	1.914	4	106.6145	1.735	14	106.6098	2.595	61	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HO)(H)	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO)	H(C[3x6]C[5,3x6]C[4x6]C[6])	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HO)(H){2|C<3>,3|C<4>,4|O<2>,9|H<1>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO){1|O<1>,1|O<2>,3|H<1>,7|C<4>}	H(C[3x6]C[5,3x6]C[4x6]C[6])	105.0730	0.000	1	105.7025	1.914	4	106.6145	1.735	14	106.6098	2.595	61	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[5,6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO)	H(C[3x6]C[5,3x6]C[4x6]C[6])	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<1>,4|C<4>,5|O<2>,7|H<1>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[5,6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[3x6]C[5,3x6]C[4x6]C[6])	106.0673	0.219	4	106.0673	0.048	4	106.6145	1.735	14	106.6098	2.595	61	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]HH)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,7|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH){1|C<3>,6|C<4>,6|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	106.2140	0.000	1	106.2140	0.000	1	106.2140	0.000	1	106.6098	2.595	61	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[4x6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[4x6]C[3x6]3)(H)	C[4x6](C[3x6]C[6,6]2H)3(C[3x6]C[6,6]2O)	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[6,6]C[3x6]HH)2(C[4x6]C[3x6]3)(H){1|O<2>,4|H<1>,7|C<4>}	C[4x6](C[3x6]C[6,6]2H)3(C[3x6]C[6,6]2O){16|H<1>,4|C<4>}	H(C[3x6]C[4x6]C[6,6]2)	109.2327	0.937	3	109.2327	0.878	3	109.2327	0.878	3	106.6098	2.595	61	107.6772	4.597	235	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[5x6]	H	3:3:4:1:	4:4:4:3:	4:	N[6,6]-3:N[6]-3:C[5x6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[3x6]-4:N-3:	C[3x6]-4:	C[3x6](N[6,6]C[4,3x6]C)(N[6]C[6,6]C[6a])(C[5x6]C[4x6]2N)(H)	C[5x6](C[4x6]C[4,3x6]C[6,6]H)(C[4x6]C[4,4x6]C[6]H)(C[3x6]N[6,6]N[6]H)(NOO)	H(C[3x6]C[5x6]N[6,6]N[6])	C[3x6](N[6,6]C[4,3x6]C)(N[6]C[6,6]C[6a])(C[5x6]C[4x6]2N)(H){3|C<4>,3|H<1>,4|C<3>}	C[5x6](C[4x6]C[4,3x6]C[6,6]H)(C[4x6]C[4,4x6]C[6]H)(C[3x6]N[6,6]N[6]H)(NOO){1|N<3>,2|H<1>,3|C<4>,4|C<3>}	H(C[3x6]C[5x6]N[6,6]N[6])	108.6145	0.049	2	108.6145	0.002	2	108.6145	0.002	2	108.6145	0.002	2	108.5646	4.281	8	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[5x6]	H	4:3:3:1:	4:4:4:4:	4:	C[5x6]-4:C[6,6]-3:N[6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[4x6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[5x6]C[5,6,6]C[4x6]C[6])(C[6,6]C[3x6]C)(N[6]C[6]C)(H)	C[5x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[6,6]N[6]H)(C[4x6]C[6,6]2H)(C[6]C[6]HO)	H(C[3x6]C[5x6]C[6,6]N[6])	C[3x6](C[5x6]C[5,6,6]C[4x6]C[6])(C[6,6]C[3x6]C)(N[6]C[6]C)(H){1|O<1>,2|O<2>,3|H<1>,5|C<4>}	C[5x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[6,6]N[6]H)(C[4x6]C[6,6]2H)(C[6]C[6]HO){1|O<2>,2|C<3>,6|C<4>,6|H<1>}	H(C[3x6]C[5x6]C[6,6]N[6])	109.2550	0.000	1	109.2550	0.000	1	109.2550	0.000	1	109.2550	0.000	1	108.5646	4.281	8	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[5x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[5x6]-4:Br-1:H-1:	C[5x6]-4:C[5x6]-4:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]C[6x6]H)(C[5x6]C[5x6]2H)(Br)(H)	C[5x6](C[5x6]C[3x6]C[5x6]H)(C[5x6]C[6,6]C[6x6]H)(C[3x6]C[4x6]BrH)(H)	H(C[3x6]C[4x6]C[5x6]Br)	C[3x6](C[4x6]C[6,6]C[6x6]H)(C[5x6]C[5x6]2H)(Br)(H){4|C<4>,5|H<1>}	C[5x6](C[5x6]C[3x6]C[5x6]H)(C[5x6]C[6,6]C[6x6]H)(C[3x6]C[4x6]BrH)(H){1|Br<1>,4|C<4>,6|H<1>}	H(C[3x6]C[4x6]C[5x6]Br)	107.6650	0.064	2	107.6650	0.004	2	107.6650	0.004	2	107.6650	0.004	2	108.5646	4.281	8	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[5x6]	H	4:4:4:1:	3:4:2:2:	4:	C[5x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[4x6]-3:C[3x6]-4:S[6,6]-2:S[6,6]-2:	C[3x6]-4:	C[3x6](C[5x6]C[4x6]S[6,6]2)(C[6,6]C[6,6]HH)2(H)	C[5x6](C[4x6]C[3x6]C[4x6])(C[3x6]C[6,6]2H)(S[6,6]S[6,6])2	H(C[3x6]C[5x6]C[6,6]2)	C[3x6](C[5x6]C[4x6]S[6,6]2)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,2|S<2>,4|H<1>}	C[5x6](C[4x6]C[3x6]C[4x6])(C[3x6]C[6,6]2H)(S[6,6]S[6,6])2{4|C<4>,5|H<1>}	H(C[3x6]C[5x6]C[6,6]2)	111.0420	0.119	2	111.0420	0.014	2	111.0420	0.014	2	111.0420	0.014	2	108.5646	4.281	8	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[5x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5x6]-4:C[6,6]-4:C[6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[3x6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[5x6]C[4x6]2C[6])(C[6,6]C[4x6]HO)(C[6]C[6]CC)(H)	C[5x6](C[4x6]C[5,5x6]C[6]H)(C[4x6]O[3x6]O[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[3x6]C[5x6]C[6,6]C[6])	C[3x6](C[5x6]C[4x6]2C[6])(C[6,6]C[4x6]HO)(C[6]C[6]CC)(H){3|C<4>,3|O<2>,6|H<1>}	C[5x6](C[4x6]C[5,5x6]C[6]H)(C[4x6]O[3x6]O[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<3>,2|O<2>,4|H<1>,6|C<4>}	H(C[3x6]C[5x6]C[6,6]C[6])	104.6190	0.000	1	104.6190	0.000	1	104.6190	0.000	1	104.6190	0.000	1	108.5646	4.281	8	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:3:3:4:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:P[6]-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a]P[6])(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(C[6a]C[6a]2)(P[6]O[6]2O)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a]P[6])(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,7|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(C[6a]C[6a]2)(P[6]O[6]2O){2|C<4>,3|H<1>,6|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	111.8800	0.000	1	111.8800	0.000	1	111.8800	0.000	1	111.8800	0.000	1	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6,6]-3:C[5a,6,6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6,6]C[5a,6])2(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[5a,6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[5a,6,6]2C[6,6])	C[3x6](C[5a,6,6]C[5a,6,6]C[5a,6])2(C[6,6]C[6,6]HH)(H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[6,6](C[3x6]C[5a,6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,4|C<3>}	H(C[3x6]C[5a,6,6]2C[6,6])	113.8150	0.000	1	113.8150	0.000	1	113.6680	0.043	2	111.1186	2.557	35	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6,6]-3:C[5a,6,6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])2(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[5a,6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[5a,6,6]2C[6,6])	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])2(C[6,6]C[6,6]HH)(H){2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[6,6](C[3x6]C[5a,6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,4|C<3>}	H(C[3x6]C[5a,6,6]2C[6,6])	113.5210	0.000	1	113.5210	0.000	1	113.6680	0.043	2	111.1186	2.557	35	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[5a,6]C[6,6]N[4x6])	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|N<3>,2|C<3>,3|C<4>}	H(C[3x6]C[5a,6]C[6,6]N[4x6])	109.6210	0.000	1	109.0750	0.145	8	109.0750	0.145	8	111.1186	2.557	35	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[5a,6]C[6,6]N[4x6])	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(C[3x6]C[5a,6]C[6,6]N[4x6])	109.4360	0.000	1	109.0750	0.145	8	109.0750	0.145	8	111.1186	2.557	35	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[5a,6]C[6,6]N[4x6])	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2{1|Cl<1>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[5a,6]C[6,6]N[4x6])	108.5350	0.000	1	109.0750	0.145	8	109.0750	0.145	8	111.1186	2.557	35	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[5a,6]C[6,6]N[4x6])	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|N<3>,2|C<3>,3|C<4>}	H(C[3x6]C[5a,6]C[6,6]N[4x6])	108.6740	0.000	1	109.0750	0.145	8	109.0750	0.145	8	111.1186	2.557	35	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[5a,6]C[6,6]N[4x6])	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(C[3x6]C[5a,6]C[6,6]N[4x6])	108.7860	0.000	1	109.0750	0.145	8	109.0750	0.145	8	111.1186	2.557	35	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[5a,6]C[6,6]N[4x6])	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){3|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(C[3x6]C[5a,6]C[6,6]N[4x6])	109.2890	0.000	1	109.0750	0.145	8	109.0750	0.145	8	111.1186	2.557	35	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[5a,6]C[6,6]N[4x6])	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){3|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(C[3x6]C[5a,6]C[6,6]N[4x6])	109.1295	0.025	2	109.0750	0.145	8	109.0750	0.145	8	111.1186	2.557	35	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CC)(H)2	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|C<4>,2|H<1>,6|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CC)(H)2{1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	111.9040	0.000	1	111.6840	0.097	2	112.2284	1.258	14	111.1186	2.557	35	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CC)(H)2	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){2|C<4>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CC)(H)2{1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	111.4640	0.000	1	111.6840	0.097	2	112.2284	1.258	14	111.1186	2.557	35	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(H)2	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(H)2{1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	110.8560	0.000	1	111.3885	0.567	2	112.2284	1.258	14	111.1186	2.557	35	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(H)2	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(H)2{1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	111.9210	0.000	1	111.3885	0.567	2	112.2284	1.258	14	111.1186	2.557	35	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.4390	0.000	1	112.6224	1.767	8	112.2284	1.258	14	111.1186	2.557	35	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|C<4>,2|H<1>,2|P<4>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.5730	0.754	2	112.6224	1.767	8	112.2284	1.258	14	111.1186	2.557	35	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.6788	1.714	5	112.6224	1.767	8	112.2284	1.258	14	111.1186	2.557	35	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HP)(H)2	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|C<4>,1|P<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HP)(H)2{1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.1030	0.000	1	112.1030	0.000	1	112.2284	1.258	14	111.1186	2.557	35	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]PtH)(H)2	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|Pt<4>,1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]PtH)(H)2{1|Se<2>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	111.9710	0.000	1	111.9710	0.000	1	112.2284	1.258	14	111.1186	2.557	35	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(H)2	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	111.4825	0.122	2	111.4825	0.015	2	111.4825	0.015	2	111.1186	2.557	35	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]N[5,6,6]O)2(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[5,5,3x6]CC)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]N[5,6,6]O)2(C[6,6]C[6,6]HH)(H){2|C<3>,3|C<4>}	C[6,6](C[6,6]C[5,5,3x6]CC)(C[3x6]C[6,6]2H)(H)2{1|C<4>,2|N<3>,2|O<1>}	H(C[3x6]C[6,6]3)	111.3410	0.000	1	111.3410	0.000	1	111.3410	0.000	1	111.1186	2.557	35	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6]-3:N[6,6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6a])(N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[6a])(N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	H(C[3x6]C[6,6]2N[6,6])	110.6535	0.150	4	110.6535	0.022	4	110.6535	0.022	4	111.1186	2.557	35	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:1:1:	4:	N[4x6]-3:C[5,6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](N[4x6]C[5,3x6]C[6,6])(C[5,6]C[5,5,6]N[5])(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[5,6]N[4x6]H)(H)2	H(C[3x6]C[5,6]C[6,6]N[4x6])	C[3x6](N[4x6]C[5,3x6]C[6,6])(C[5,6]C[5,5,6]N[5])(C[6,6]C[3x6]HH)(H){2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[5,6]N[4x6]H)(H)2{1|N<2>,2|H<1>,5|C<4>}	H(C[3x6]C[5,6]C[6,6]N[4x6])	109.4180	0.000	1	109.4180	0.000	1	109.4180	0.000	1	111.1186	2.557	35	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:1:1:	4:	N[5,6,6]-3:N[6,6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](N[5,6,6]C[5,6,6]C[5,6a])(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]N[5,6,6]N[6,6]H)(C[6,6]C[3x6]CH)(H)2	H(C[3x6]N[5,6,6]C[6,6]N[6,6])	C[3x6](N[5,6,6]C[5,6,6]C[5,6a])(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,5|C<3>}	C[6,6](C[3x6]N[5,6,6]N[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[3x6]N[5,6,6]C[6,6]N[6,6])	109.8880	0.000	1	109.8880	0.000	1	110.5593	0.381	3	111.1186	2.557	35	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:1:1:	4:	N[5,6,6]-3:N[6,6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](N[5,6,6]C[5,6,6]C[5,6a])(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]N[5,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]N[5,6,6]C[6,6]N[6,6])	C[3x6](N[5,6,6]C[5,6,6]C[5,6a])(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[3x6]N[5,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[3x6]N[5,6,6]C[6,6]N[6,6])	110.8950	0.293	2	110.8950	0.086	2	110.5593	0.381	3	111.1186	2.557	35	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:2:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CN)(H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CN)(H){1|P<2>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	111.8120	0.007	2	111.8120	0.000	2	111.8120	0.000	2	111.8817	0.015	3	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:2:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HO)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(OH)(H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HO)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(OH)(H){1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.0210	0.000	1	112.0210	0.000	1	112.0210	0.000	1	111.8817	0.015	3	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:2:2:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CC)(CN)2	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){1|H<1>,2|C<2>,2|C<4>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CC)(CN)2{1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	111.1140	0.488	2	111.2798	0.118	4	111.2798	0.118	4	111.2798	0.118	4	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:2:2:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CC)(CN)2	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){2|C<2>,2|C<4>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CC)(CN)2{1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	111.4455	0.083	2	111.2798	0.118	4	111.2798	0.118	4	111.2798	0.118	4	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(COO)(H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(COO)(H){1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	111.8244	0.253	14	111.8244	0.064	14	111.7929	0.074	15	111.6189	0.717	30	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(COO)(H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(COO)(H){1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	111.3530	0.000	1	111.3530	0.000	1	111.7929	0.074	15	111.6189	0.717	30	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a]H)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a]H)(H){1|C<4>,3|H<1>,7|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	111.7670	0.000	1	111.7670	0.000	1	111.7670	0.000	1	111.6189	0.717	30	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NCH)(H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NCH)(H){1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	111.9730	0.117	2	111.9730	0.014	2	111.3642	1.670	9	111.6189	0.717	30	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHH)(H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHH)(H){1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	110.0880	0.000	1	111.5958	0.719	5	111.3642	1.670	9	111.6189	0.717	30	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHH)(H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H){1|C<4>,1|N<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHH)(H){1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	111.9728	0.107	4	111.5958	0.719	5	111.3642	1.670	9	111.6189	0.717	30	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHS)(H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHS)(H){1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	108.3540	0.000	1	108.3540	0.000	1	111.3642	1.670	9	111.6189	0.717	30	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HO)(NHH)(H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HO)(NHH)(H){1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	111.9990	0.000	1	111.9990	0.000	1	111.3642	1.670	9	111.6189	0.717	30	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N[5]H)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N[5]H)(N[5]C[5,6a]C[5])(H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N[5]H)(H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N[5]H)(N[5]C[5,6a]C[5])(H){1|Rh<6>,1|H<1>,1|N<3>,8|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.5320	0.540	2	112.5320	0.292	2	112.5320	0.292	2	111.6189	0.717	30	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6,6a]2H)(COO)(H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6,6a]2H)(COO)(H){1|H<1>,6|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	111.8740	0.000	1	111.8740	0.000	1	111.8740	0.000	1	111.6189	0.717	30	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:N[5a]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N[5a]H)(H)	C[6,6](C[6,6]C[3x6]N[5a]H)(C[3x6]C[6,6,6a]2H)(N[5a]C[5a]2)(H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N[5a]H)(H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6,6](C[6,6]C[3x6]N[5a]H)(C[3x6]C[6,6,6a]2H)(N[5a]C[5a]2)(H){1|N<2>,3|H<1>,7|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	110.3445	0.240	2	110.3445	0.057	2	110.3445	0.057	2	111.6189	0.717	30	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-3:C-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(COO)2	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(COO)2{1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.0980	0.000	1	112.0980	0.000	1	112.0980	0.000	1	112.0980	0.000	1	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H){1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	111.7757	0.066	6	111.8669	0.060	8	111.9425	0.060	24	112.0159	0.084	31	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H){1|Ir<6>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.4530	0.000	1	111.8669	0.060	8	111.9425	0.060	24	112.0159	0.084	31	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H){1|Ru<6>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	111.8280	0.000	1	111.8669	0.060	8	111.9425	0.060	24	112.0159	0.084	31	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHP)(H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHP)(H){1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	111.9365	0.151	2	111.9365	0.023	2	111.9425	0.060	24	112.0159	0.084	31	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CN[5]HH)(H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CN[5]HH)(H){1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	111.9858	0.270	13	111.9858	0.073	13	111.9425	0.060	24	112.0159	0.084	31	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(CHHN)(H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(CHHN)(H){1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	111.9960	0.000	1	111.9960	0.000	1	111.9425	0.060	24	112.0159	0.084	31	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:N-4:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NH3)(H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NH3)(H){1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.1037	0.144	4	112.1037	0.021	4	112.1037	0.021	4	112.0159	0.084	31	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:P-4:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HP)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(PC[6]2B)(H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HP)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(PC[6]2B)(H){1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.1140	0.000	1	112.1140	0.000	1	112.4863	0.123	3	112.0159	0.084	31	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:P-4:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HP)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HP)(PC[6a]2Rh)(H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HP)(H){1|C<4>,1|P<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HP)(PC[6a]2Rh)(H){1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.6725	0.197	2	112.6725	0.039	2	112.4863	0.123	3	112.0159	0.084	31	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:3:4:1:	4:4:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:C-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(CCCH)(COO)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(CCCH)(COO){1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	111.7960	0.000	1	111.7960	0.000	1	111.7960	0.000	1	111.7960	0.000	1	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:2:1:	4:4:1:1:	4:	C[3x6]-3:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2	H(C[3x6]C[3x6]C[6,6]O[6,6])	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	110.5560	0.000	1	110.5560	0.000	1	110.5750	0.001	2	110.4650	0.609	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:2:1:	4:4:1:1:	4:	C[3x6]-3:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]C[6])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]O[6]H)(H)2	H(C[3x6]C[3x6]C[6,6]O[6,6])	C[3x6](C[3x6]C[4x6]C[6])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]O[6]H)(H)2{1|Br<1>,2|C<3>,2|C<4>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	110.5940	0.000	1	110.5940	0.000	1	110.5750	0.001	2	110.4650	0.609	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:2:1:	4:4:1:1:	4:	C[3x6]-3:C[6,6]-4:O[6]-2:H-1:	C[3x6]-4:C[4,6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(O[6]C[6,6])(H)	C[6,6](C[3x6]C[3x6]O[6]H)(C[4,6,6]C[4,6]2H)(H)2	H(C[3x6]C[3x6]C[6,6]O[6])	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(O[6]C[6,6])(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]O[6]H)(C[4,6,6]C[4,6]2H)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[3x6]C[6,6]O[6])	108.1190	0.000	1	108.1190	0.000	1	108.1190	0.000	1	110.4650	0.609	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:2:1:	4:4:1:1:	4:	C[5,6,6]-3:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[5,6,6]HH)(O[6,6]O[6,6])(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[5,3x6]C[5]C)(H)2	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[5,6,6]HH)(O[6,6]O[6,6])(H){1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[5,3x6]C[5]C)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	110.9060	0.000	1	110.9060	0.000	1	110.9060	0.000	1	110.4650	0.609	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2	H(C[3x6]C[6,6,6a]C[6,6]O[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2{2|C<3>,5|C<4>}	H(C[3x6]C[6,6,6a]C[6,6]O[6,6])	109.9405	0.267	2	109.9405	0.071	2	109.9405	0.071	2	110.4650	0.609	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6,6a]C[6,6]O[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,3|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]O[6,6])	111.0142	0.487	5	111.0142	0.237	5	110.8221	0.177	9	110.4650	0.609	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]C[6a]C)(H)2	H(C[3x6]C[6,6,6a]C[6,6]O[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]C[6a]C)(H)2{1|C<4>,5|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]O[6,6])	110.5790	0.000	1	110.5790	0.000	1	110.8221	0.177	9	110.4650	0.609	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]C[6a]H)(H)2	H(C[3x6]C[6,6,6a]C[6,6]O[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]C[6a]H)(H)2{1|C<4>,5|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]O[6,6])	110.5830	0.154	3	110.5830	0.024	3	110.8221	0.177	9	110.4650	0.609	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]H)(C[6,6]C[6,6]HH)(O[6,6]O[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[5,6,6]H)(C[6,6]C[6,6]HH)(O[6,6]O[6,6])(H){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[3x6]C[6,6]2O[6,6])	109.9850	0.000	1	109.9850	0.000	1	109.9850	0.000	1	110.4650	0.609	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:2:1:	4:4:2:1:	4:	C[3x6]-3:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(OH)(H)	H(C[3x6]C[3x6]C[6,6]O[6,6])	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(H){2|O<2>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(OH)(H){1|C<3>,6|C<4>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	110.8000	0.000	1	110.8000	0.000	1	110.8000	0.000	1	110.8000	0.000	1	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]C[6a]H)(CH3)(H)	H(C[3x6]C[6,6,6a]C[6,6]O[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]C[6a]H)(CH3)(H){1|C<4>,5|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]O[6,6])	110.3480	0.000	1	110.3480	0.000	1	110.3480	0.000	1	110.3480	0.000	1	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:3:1:	4:3:1:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]C[5])(H)2	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]C[5])(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.8955	1.620	2	110.8955	2.624	2	110.8955	2.624	2	110.8955	2.624	2	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:3:1:	4:4:1:1:	4:	As[4x6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](As[4x6]C[3x6]P[4x6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]As[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]As[4x6]C[6,6]2)	C[3x6](As[4x6]C[3x6]P[4x6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|W<6>,3|C<4>,4|H<1>}	C[6,6](C[3x6]As[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,2|H<1>}	H(C[3x6]As[4x6]C[6,6]2)	109.5775	0.035	2	109.5775	0.001	2	109.5775	0.001	2	112.1580	1.598	49	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:3:1:	4:4:1:1:	4:	C[5,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|H<1>,3|C<3>}	H(C[3x6]C[5,6,6]C[6,6]2)	112.9519	0.260	8	112.9519	0.067	8	112.9519	0.067	8	112.1580	1.598	49	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:3:1:	4:4:1:1:	4:	C[5,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[5,6,6]HH)(N[6,6]O[6,6]C)(H)	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(C[5,6,6]C[5,3x6]C[5]C)(H)2	H(C[3x6]C[5,6,6]C[6,6]N[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[5,6,6]HH)(N[6,6]O[6,6]C)(H){1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(C[5,6,6]C[5,3x6]C[5]C)(H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[3x6]C[5,6,6]C[6,6]N[6,6])	111.9765	0.032	2	111.9765	0.001	2	111.9765	0.001	2	112.1580	1.598	49	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:3:1:	4:4:1:1:	4:	C[5a,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[5a,6,6]C[6,6]2)	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,4|C<3>}	H(C[3x6]C[5a,6,6]C[6,6]2)	112.6930	0.023	2	112.7040	0.001	4	112.9699	0.310	19	112.1580	1.598	49	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:3:1:	4:4:1:1:	4:	C[5a,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[5a,6,6]C[6,6]2)	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,4|C<3>}	H(C[3x6]C[5a,6,6]C[6,6]2)	112.7150	0.048	2	112.7040	0.001	4	112.9699	0.310	19	112.1580	1.598	49	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:3:1:	4:4:1:1:	4:	C[5a,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[5a,6,6]C[6,6]2)	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|H<1>,3|C<3>}	H(C[3x6]C[5a,6,6]C[6,6]2)	113.0409	0.610	15	113.0409	0.372	15	112.9699	0.310	19	112.1580	1.598	49	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]2)	112.1610	0.000	1	112.3524	0.026	5	112.3524	0.026	5	112.1580	1.598	49	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|H<1>,3|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]2)	112.4002	0.140	4	112.3524	0.026	5	112.3524	0.026	5	112.1580	1.598	49	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[3x6]C[4x6]C[6]C)(H)2	H(C[3x6]C[6,6,6a]C[6,6]N[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(H){1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[3x6]C[4x6]C[6]C)(H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]N[6,6])	112.3410	0.000	1	112.3410	0.000	1	111.4760	1.496	2	112.1580	1.598	49	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[3x6]C[6,6a]C[4x6]C)(H)2	H(C[3x6]C[6,6,6a]C[6,6]N[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[3x6]C[6,6a]C[4x6]C)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]N[6,6])	110.6110	0.000	1	110.6110	0.000	1	111.4760	1.496	2	112.1580	1.598	49	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6,6]C[6,6]S)(H)	C[6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6,6a]C[6,6]N[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6,6]C[6,6]S)(H){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]N[6,6])	111.3320	0.000	1	111.3320	0.000	1	111.3320	0.000	1	112.1580	1.598	49	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,5,6,6]O)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,6,6]C[5,3x6]S[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,5,6,6]O)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H){1|N<3>,1|S<4>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,3x6]S[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>,3|O<1>}	H(C[3x6]C[6,6]3)	112.0530	0.033	2	112.0530	0.001	2	112.0530	0.001	2	112.1580	1.598	49	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]N[6,6]C[6a])(C[6,6]C[6,6]HH)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]N[6,6]C[6a])(C[6,6]C[6,6]HH)(N[6,6]C[6,6]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	H(C[3x6]C[6,6]2N[6,6])	111.9690	0.000	1	111.9690	0.000	1	111.9690	0.000	1	112.1580	1.598	49	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:3:1:	4:4:1:1:	4:	N[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](N[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(H)	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5,5])(C[3x6]N[6,6,6a]C[6,6]H)(H)2	H(C[3x6]N[6,6,6a]C[6,6]2)	C[3x6](N[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5,5])(C[3x6]N[6,6,6a]C[6,6]H)(H)2{1|N<2>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	H(C[3x6]N[6,6,6a]C[6,6]2)	108.1600	0.000	1	108.1600	0.000	1	108.1600	0.000	1	112.1580	1.598	49	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:3:1:	4:4:1:1:	4:	N[6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](N[6,6]C[3x3,4,3x5,14x6]O[6,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]2N[6,6])	C[3x6](N[6,6]C[3x3,4,3x5,14x6]O[6,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,3|H<1>,4|B<6>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<5>,1|O<2>,2|H<1>}	H(C[3x6]C[6,6]2N[6,6])	111.2200	0.000	1	111.2200	0.000	1	110.3847	0.275	6	112.1580	1.598	49	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:3:1:	4:4:1:1:	4:	N[6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]2N[6,6])	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[3x6]C[6,6]2N[6,6])	109.9893	0.101	3	110.0687	0.032	4	110.3847	0.275	6	112.1580	1.598	49	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:3:1:	4:4:1:1:	4:	N[6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]2N[6,6])	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[3x6]C[6,6]2N[6,6])	110.3070	0.000	1	110.0687	0.032	4	110.3847	0.275	6	112.1580	1.598	49	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:3:1:	4:4:1:1:	4:	N[6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]2N[6,6])	C[3x6](N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[3x6]C[6,6]2N[6,6])	110.8130	0.000	1	110.8130	0.000	1	110.3847	0.275	6	112.1580	1.598	49	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:3:1:	4:4:2:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6,6]O[6,6]C)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(OC)(H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6,6]O[6,6]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(OC)(H){1|C<4>,1|O<2>,3|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]2)	111.9890	0.000	1	111.9890	0.000	1	111.9890	0.000	1	111.8600	0.033	2	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:3:1:	4:4:2:1:	4:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-2:Cl-1:	C[3x6]-4:	C[3x6](N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CN)(Cl)	H(C[3x6]N[5,6,6]C[6,6]2)	C[3x6](N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CN)(Cl){1|C<4>,2|C<3>,2|H<1>}	H(C[3x6]N[5,6,6]C[6,6]2)	111.7310	0.000	1	111.7310	0.000	1	111.7310	0.000	1	111.8600	0.033	2	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:3:1:	4:4:3:1:	4:	C[3x6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(COO)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|Br<1>,1|Cl<1>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(COO)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	111.5680	0.000	1	111.4435	0.031	2	111.4435	0.031	2	110.8152	1.599	5	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:3:1:	4:4:3:1:	4:	C[3x6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(COO)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){2|Br<1>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(COO)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	111.3190	0.000	1	111.4435	0.031	2	111.4435	0.031	2	110.8152	1.599	5	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]C[6]CH)(C[6]O[6]O)(H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H){1|C<4>,2|H<1>,2|O<1>,2|O<2>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]C[6]CH)(C[6]O[6]O)(H){2|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]2)	108.5680	0.000	1	108.5680	0.000	1	108.5680	0.000	1	110.8152	1.599	5	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:3:1:	4:4:3:1:	4:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]C[5]H)(CHO)(H)	H(C[3x6]N[5,6,6]C[6,6]2)	C[3x6](N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]C[5]H)(CHO)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[3x6]N[5,6,6]C[6,6]2)	111.3105	0.192	2	111.3105	0.037	2	111.3105	0.037	2	110.8152	1.599	5	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:3:1:	4:4:3:2:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:N-3:C-2:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CN)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(NCC)(CN)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CN)(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(NCC)(CN){1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]2)	112.1020	0.000	1	112.1020	0.000	1	112.1020	0.000	1	112.1037	0.001	3	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:3:1:	4:4:3:2:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:N[5]-3:C-2:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]N[5]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(CN)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]N[5]C)(C[6,6]C[6,6]H)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(CN){2|C<4>,4|C<3>,5|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	112.1320	0.000	1	112.1320	0.000	1	112.1320	0.000	1	112.1037	0.001	3	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:3:1:	4:4:3:2:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:N[6]-3:C-2:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]N[6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(N[6]C[6]2)(CN)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]N[6]C)(C[6,6]C[6,6]H)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(N[6]C[6]2)(CN){2|C<4>,4|C<3>,5|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	112.0770	0.000	1	112.0770	0.000	1	112.0770	0.000	1	112.1037	0.001	3	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:3:1:	4:4:3:4:	4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)(CCHO)	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,7|H<1>}	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)(CCHO){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	107.1530	0.033	2	107.1530	0.001	2	107.1530	0.001	2	107.1530	0.001	2	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:3:1:	4:4:4:1:	4:	N[3x6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H)	C[6,6](C[3x6]N[3x6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[3x6]C[6,6]N[3x6]N[6,6])	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H){1|C<3>,1|N<3>,5|C<4>,8|H<1>}	C[6,6](C[3x6]N[3x6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){4|H<1>,6|C<4>}	H(C[3x6]C[6,6]N[3x6]N[6,6])	106.3030	0.000	1	106.4735	0.058	2	106.4735	0.058	2	106.7680	0.289	3	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:3:1:	4:4:4:1:	4:	N[3x6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H)	C[6,6](C[3x6]N[3x6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[3x6]C[6,6]N[3x6]N[6,6])	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H){1|N<3>,1|O<1>,5|C<4>,7|H<1>}	C[6,6](C[3x6]N[3x6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|H<1>,5|C<4>}	H(C[3x6]C[6,6]N[3x6]N[6,6])	106.6440	0.000	1	106.4735	0.058	2	106.4735	0.058	2	106.7680	0.289	3	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:3:1:	4:4:4:1:	4:	N[4x6]-3:C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]O)(H)	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHHO)(H)	H(C[3x6]C[6,6]N[4x6]C[6])	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]O)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHHO)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]N[4x6]C[6])	107.3570	0.000	1	107.3570	0.000	1	107.3570	0.000	1	106.7680	0.289	3	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:3:1:	4:4:4:3:	4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-3:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCO)	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,8|H<1>}	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCO){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	107.5380	0.000	1	107.6060	0.025	3	107.6060	0.025	3	107.6060	0.025	3	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:3:1:	4:4:4:3:	4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-3:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCO)	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,8|H<1>}	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCO){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	107.6400	0.206	2	107.6060	0.025	3	107.6060	0.025	3	107.6060	0.025	3	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:3:1:	4:4:4:4:	4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH)	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,8|H<1>}	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	107.4955	0.278	2	107.5423	1.028	7	107.5171	0.693	10	107.5171	0.693	10	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:3:1:	4:4:4:4:	4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH)	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,8|H<1>}	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,2|C<4>,2|N<3>,3|H<1>}	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	106.5770	0.000	1	107.5423	1.028	7	107.5171	0.693	10	107.5171	0.693	10	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:3:1:	4:4:4:4:	4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH)	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,8|H<1>}	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	109.6950	0.000	1	107.5423	1.028	7	107.5171	0.693	10	107.5171	0.693	10	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:3:1:	4:4:4:4:	4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH)	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,8|H<1>}	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	107.0495	0.148	2	107.5423	1.028	7	107.5171	0.693	10	107.5171	0.693	10	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:3:1:	4:4:4:4:	4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH)	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,8|H<1>}	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	107.4340	0.000	1	107.5423	1.028	7	107.5171	0.693	10	107.5171	0.693	10	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:3:1:	4:4:4:4:	4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHO)	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,8|H<1>}	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHO){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	107.4583	0.170	3	107.4583	0.029	3	107.5171	0.693	10	107.5171	0.693	10	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:2:4:1:	4:	C[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:O[6,6]-2:C-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]C[6])(C[6,6]C[4x6]HO)(C[6,6]O[6,6]CH)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(O[6,6]C[4x6])(CH3)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[4x6]C[6])(C[6,6]C[4x6]HO)(C[6,6]O[6,6]CH)(H){1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(O[6,6]C[4x6])(CH3)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	109.6230	0.000	1	109.6230	0.000	1	109.6230	0.000	1	109.6230	0.000	1	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(N[6,6]C[3x6]S)(H)2	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(N[6,6]C[3x6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.6890	0.000	1	110.6890	0.000	1	110.6890	0.000	1	109.3260	0.713	11	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:3:1:1:	4:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(H)2	H(C[3x6]C[6,6]2N[6,6])	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]2N[6,6])	110.3235	0.859	2	110.3235	0.738	2	109.1897	0.565	10	109.3260	0.713	11	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:3:1:1:	4:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(H)2	H(C[3x6]C[6,6]2N[6,6])	C[3x6](N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[3x6]C[6,6]2N[6,6])	108.9062	0.402	8	108.9062	0.162	8	109.1897	0.565	10	109.3260	0.713	11	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:3:4:1:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:N[6,6]-3:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]S)(CC[6a]HH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]S)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[3x6]C[6,6]3)	110.9730	0.000	1	110.9730	0.000	1	110.9730	0.000	1	110.3005	0.905	2	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:3:4:1:	4:	N[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-3:C[6]-4:H-1:	C[3x6]-4:	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6]2H)2(H)	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]N[6,6]O)(C[6]C[6]HH)(H)	H(C[3x6]C[6,6]2N[3x6])	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6]2H)2(H){1|O<1>,2|N<3>,3|C<4>,8|H<1>}	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]N[6,6]O)(C[6]C[6]HH)(H){3|H<1>,5|C<4>}	H(C[3x6]C[6,6]2N[3x6])	109.6280	0.000	1	109.6280	0.000	1	109.6280	0.000	1	110.3005	0.905	2	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	110.8136	0.053	5	110.7293	0.029	11	111.0340	0.227	17	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	110.6590	0.207	6	110.7293	0.029	11	111.0340	0.227	17	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]S[6])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]S[6])(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	111.2440	0.045	2	111.2440	0.002	2	111.0340	0.227	17	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[5,6,6]C[3x6])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[5,6,6]C[3x6])(C[6,6]C[6,6]HH)2(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	111.6305	0.033	2	111.6305	0.001	2	111.0340	0.227	17	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[5a,6]C[3x6])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[5a,6]C[3x6])(C[6,6]C[6,6]HH)2(H){1|C<3>,1|S<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	111.9035	0.012	2	111.9035	0.000	2	111.0340	0.227	17	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[4x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[4x6]C[5x6])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[4x6]C[5x6])(C[6,6]C[6,6]HH)2(H){2|S<2>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[4x6]C[6,6]2)	110.7837	0.038	4	110.7837	0.001	4	110.7837	0.001	4	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,3x6]-3:C[5,6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[5,3x6]C[5,6,6]C[6,6])	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[5,3x6]C[5,6,6]C[6,6])	112.3130	0.656	2	112.3130	0.431	2	112.3130	0.431	2	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,3x6]N[5])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,3x6]N[5])(C[6,6]C[3x6]HH)2(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|N<2>,2|C<4>,6|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.0237	0.010	3	111.0237	0.000	3	111.0237	0.000	3	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]2)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]2)(C[6,6]C[6,6]HH)2(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.6345	0.032	2	111.3793	0.052	11	111.4006	0.089	25	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]2)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]2)(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.2630	0.122	8	111.3793	0.052	11	111.4006	0.089	25	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]2)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]2)(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.7990	0.000	1	111.3793	0.052	11	111.4006	0.089	25	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.3330	0.114	4	111.2851	0.012	12	111.4006	0.089	25	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.2302	0.101	6	111.2851	0.012	12	111.4006	0.089	25	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)2(H){2|C<4>,2|S<2>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.3540	0.044	2	111.2851	0.012	12	111.4006	0.089	25	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]S[5])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]S[5])(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	112.2115	0.025	2	112.2115	0.001	2	111.4006	0.089	25	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[5a,6,6]C[6,6]2)	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)2(H){1|Br<1>,1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[5a,6,6]C[6,6]2)	111.5823	0.124	4	111.4934	0.019	9	111.5327	0.023	11	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[5a,6,6]C[6,6]2)	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,1|S<2>,5|H<1>}	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[5a,6,6]C[6,6]2)	111.3130	0.008	2	111.4934	0.019	9	111.5327	0.023	11	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[5a,6,6]C[6,6]2)	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[5a,6,6]C[6,6]2)	111.4953	0.054	3	111.4934	0.019	9	111.5327	0.023	11	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6,6]S[5a])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[5a,6,6]C[6,6]2)	C[3x6](C[5a,6,6]C[5a,6,6]S[5a])(C[6,6]C[6,6]HH)2(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	H(C[3x6]C[5a,6,6]C[6,6]2)	111.7095	0.035	2	111.7095	0.001	2	111.5327	0.023	11	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[3x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6]C[3x6]C[6a]H)(H)2	H(C[3x6]C[6,6,6a]C[3x6]C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6]C[3x6]C[6a]H)(H)2{1|C<4>,1|H<1>,6|C<3>}	H(C[3x6]C[6,6,6a]C[3x6]C[6,6])	110.6610	0.000	1	110.6610	0.000	1	110.6610	0.000	1	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]Ru)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6,6a]C[5,6,6]C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]Ru)(C[6,6]C[6,6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{1|Ru<10>,1|H<1>,2|C<3>,2|C<4>}	H(C[3x6]C[6,6,6a]C[5,6,6]C[6,6])	113.4965	0.054	2	113.4965	0.003	2	113.4965	0.003	2	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]HH)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]HH)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.7280	0.000	1	110.7280	0.000	1	110.7280	0.000	1	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:Br-1:Br-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Br2)(C[6,6]C[6,6]BrH)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(Br)2	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Br2)(C[6,6]C[6,6]BrH)(H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(Br)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	111.7510	0.000	1	111.1615	0.695	2	111.1615	0.695	2	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:Br-1:Br-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Br2)(C[6,6]C[6,6]BrH)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(Br)2	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Br2)(C[6,6]C[6,6]BrH)(H){2|Br<1>,1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(Br)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.5720	0.000	1	111.1615	0.695	2	111.1615	0.695	2	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:Br-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Br2)(C[6,6]C[6,6]BrH)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(Br)(H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Br2)(C[6,6]C[6,6]BrH)(H){2|Br<1>,1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(Br)(H){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.5420	0.000	1	110.5420	0.000	1	110.7101	0.618	7	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:Br-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Br2)(C[6,6]C[6,6]BrH)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(Br)(H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Br2)(C[6,6]C[6,6]BrH)(H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(Br)(H){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]2)	111.6890	0.000	1	111.6890	0.000	1	110.7101	0.618	7	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:Br-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]Br2)(Br)(H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H){3|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]Br2)(Br)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	111.0540	0.000	1	111.0540	0.000	1	110.7101	0.618	7	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:Br-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HO)(Br)(H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HO)(Br)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	111.1740	0.011	2	111.1740	0.000	2	110.7101	0.618	7	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:Br-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]BrH)2(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]Br2)(Br)(H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]BrH)2(H){3|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]Br2)(Br)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	109.6350	0.000	1	109.6350	0.000	1	110.7101	0.618	7	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:Br-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]BrH)2(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(Br)(H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]BrH)2(H){3|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(Br)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	109.7030	0.000	1	109.7030	0.000	1	110.7101	0.618	7	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[5a,6,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[6]O[6]C)(H)2	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[5a,6,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[6]O[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.3270	0.000	1	110.3270	0.000	1	110.7447	0.167	100	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.6243	0.399	45	110.6243	0.159	45	110.7447	0.167	100	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[5,6a])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[5,6a])(C[6,6]C[6,6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.7605	0.174	11	110.8018	0.051	23	110.7447	0.167	100	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[5,6a])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[5,6a])(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.8397	0.267	12	110.8018	0.051	23	110.7447	0.167	100	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[5a,6a])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[5a,6a])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	111.2197	0.256	6	111.0478	0.171	12	110.7447	0.167	100	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[5a,6a])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[5a,6a])(C[6,6]C[6,6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.8760	0.490	6	111.0478	0.171	12	110.7447	0.167	100	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(H)2	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H){3|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	111.0210	0.000	1	111.0210	0.000	1	110.7447	0.167	100	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	111.1980	0.059	2	111.1980	0.004	2	110.7447	0.167	100	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.7450	0.081	2	110.7450	0.006	2	110.7447	0.167	100	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.6910	0.000	1	110.6910	0.000	1	110.7447	0.167	100	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]CC)(H)2	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.7075	0.081	2	110.7075	0.007	2	110.7447	0.167	100	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]CH)(H)2	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.6610	0.091	2	110.6610	0.008	2	110.7447	0.167	100	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	111.0310	0.017	2	111.0243	0.000	4	110.7447	0.167	100	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	111.0175	0.011	2	111.0243	0.000	4	110.7447	0.167	100	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]N[3x6]HH)(H)2	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H){1|N<3>,2|C<3>,5|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]N[3x6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	111.5150	0.031	2	111.5150	0.001	2	110.7447	0.167	100	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[6]O[6]C)(H)2	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[6]O[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	109.8583	0.233	3	109.8583	0.054	3	110.7447	0.167	100	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:N[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6,6]N[6,6]HH)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(N[6,6]C[3x6]CH)(H)2	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6,6]N[6,6]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(N[6,6]C[3x6]CH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.3960	0.000	1	110.3960	0.000	1	110.3960	0.000	1	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6,6]-4:N[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6,6]C[6,6]CH)(H)	C[6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6]C[3x6]C[6]C)(H)2	H(C[3x6]C[6,6,6a]C[6,6]N[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6,6]C[6,6]CH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6]C[3x6]C[6]C)(H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]N[6,6])	110.9190	0.000	1	110.9190	0.000	1	110.9190	0.000	1	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[5])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[5])(C[6,6]C[3x6]HH)2(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	110.1160	0.159	13	110.0601	0.023	21	109.9777	0.279	48	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[5])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[5])(C[6,6]C[3x6]HH)2(H){2|P<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	110.0328	0.054	4	110.0601	0.023	21	109.9777	0.279	48	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[5])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[5])(C[6,6]C[3x6]HH)2(H){3|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.9060	0.073	4	110.0601	0.023	21	109.9777	0.279	48	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(H){3|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	109.9010	0.075	2	109.9010	0.006	2	109.9777	0.279	48	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)2(H){3|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	109.8325	0.006	2	109.6055	0.408	14	109.9777	0.279	48	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)2(H){3|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.5677	0.687	12	109.6055	0.408	14	109.9777	0.279	48	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)2(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.9507	0.190	8	109.9507	0.036	8	109.9777	0.279	48	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	111.4070	0.000	1	111.4070	0.000	1	109.9777	0.279	48	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[3x6]HH)2(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	H(C[3x6]C[6,6]3)	111.1865	0.029	2	111.1865	0.001	2	109.9777	0.279	48	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]C[6,6])(C[6,6]C[4x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]C[6,6])(C[6,6]C[4x6]HH)2(H){3|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|C<3>,4|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	109.5027	2.251	6	109.5027	5.067	6	109.5027	5.067	6	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[6,6]3)	111.0590	0.057	2	111.0590	0.003	2	111.0714	0.026	10	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]3)	111.4540	0.000	1	111.4540	0.000	1	111.0714	0.026	10	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>}	H(C[3x6]C[6,6]3)	110.9300	0.000	1	110.9300	0.000	1	111.0714	0.026	10	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[3x6]C[6,6]3)	111.0337	0.116	3	111.0337	0.013	3	111.0714	0.026	10	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[3x6]C[6,6]3)	111.0370	0.112	3	111.0370	0.013	3	111.0714	0.026	10	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]C)(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[5,6]O[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]C)(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|N<2>,3|C<4>}	H(C[3x6]C[6,6]3)	109.4390	0.427	2	109.4390	0.182	2	110.4610	0.729	6	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]C)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]C)(C[6,6]C[6,6]HH)2(H){2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]3)	110.6860	0.007	2	110.6860	0.000	2	110.4610	0.729	6	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]H)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]H)(C[6,6]C[6,6]HH)2(H){1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	111.2980	0.000	1	111.2980	0.000	1	110.4610	0.729	6	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]H)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[6,6]C[5,3x6]HN)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]H)(C[6,6]C[6,6]HH)2(H){1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,3x6]HN)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	111.2180	0.000	1	111.2180	0.000	1	110.4610	0.729	6	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](N[5,6,6]C[5,5,6]N[5,6,6])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]N[5,6,6]C[6,6]2)	C[3x6](N[5,6,6]C[5,5,6]N[5,6,6])(C[6,6]C[6,6]HH)2(H){4|C<4>,6|H<1>}	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|N<4>,2|C<4>,3|H<1>}	H(C[3x6]N[5,6,6]C[6,6]2)	109.6700	0.000	1	109.6700	0.000	1	109.6700	0.000	1	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]2N[6,6])	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[6,6]2N[6,6])	109.6800	0.037	2	109.6800	0.001	2	110.0004	0.118	13	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](N[6,6]N[6,6]C[6a])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]2N[6,6])	C[3x6](N[6,6]N[6,6]C[6a])(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[3x6]C[6,6]2N[6,6])	110.0586	0.343	11	110.0586	0.118	11	110.0004	0.118	13	110.6929	0.606	261	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:2:1:	4:	C[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]C[6])(C[6,6]C[4x6]HO)(C[6,6]O[6,6]CH)(H)	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[3x6]C[3x6]C[6,6]H)(OH)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[4x6]C[6])(C[6,6]C[4x6]HO)(C[6,6]O[6,6]CH)(H){1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[3x6]C[3x6]C[6,6]H)(OH)(H){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	109.6300	0.000	1	109.6300	0.000	1	109.6300	0.000	1	110.4366	0.368	7	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]HO)(H)	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HO)(OH)(H)	H(C[3x6]C[6,6,6a]C[5,6,6]C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]HO)(H){1|C<2>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HO)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[3x6]C[6,6,6a]C[5,6,6]C[6,6])	111.0825	0.057	2	111.0825	0.003	2	111.0825	0.003	2	110.4366	0.368	7	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(OH)(H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.7185	0.052	2	110.7185	0.003	2	110.7185	0.003	2	110.4366	0.368	7	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(H)	C[6,6](C[3x6]C[6,6]2H)2(OH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(H){3|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(OH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.9120	0.088	2	109.9120	0.008	2	109.9120	0.008	2	110.4366	0.368	7	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[5a,6,6a]C[6,6a])(C[6,6]C[6]2H)2(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]O[6]CC)(C[6]C[6]C)(H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[5a,6,6a]C[6,6a])(C[6,6]C[6]2H)2(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>,5|C<4>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]O[6]CC)(C[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	107.8470	0.301	2	107.8470	0.091	2	107.8470	0.091	2	107.7588	0.524	5	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6]N[6])(C[6,6]C[6]2H)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6]N[6])(C[6,6]C[6]2H)2(H){2|C<3>,3|C<4>,8|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|N<3>,3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	106.5700	0.000	1	106.5700	0.000	1	106.5700	0.000	1	107.7588	0.524	5	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:3:1:	4:	N[4x6]-3:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HH)(H)	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHO)(H)	H(C[3x6]C[6,6]N[4x6]C[6])	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHO)(H){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	H(C[3x6]C[6,6]N[4x6]C[6])	108.4430	0.000	1	108.2650	0.063	2	108.2650	0.063	2	107.7588	0.524	5	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:3:1:	4:	N[4x6]-3:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HH)(H)	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHO)(H)	H(C[3x6]C[6,6]N[4x6]C[6])	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHO)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]N[4x6]C[6])	108.0870	0.000	1	108.2650	0.063	2	108.2650	0.063	2	107.7588	0.524	5	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:3:3:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-3:C-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(COO)2	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(COO)2{2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.7900	0.095	2	110.7900	0.009	2	110.7900	0.009	2	110.7900	0.009	2	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:3:4:	4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2H)(H)	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)(CCHH)	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2H)(H){2|C<4>,3|C<3>,7|H<1>}	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	108.3450	0.000	1	108.3450	0.000	1	108.3450	0.000	1	109.3405	1.982	2	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:3:4:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-3:C-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6,6]N[6,6]HH)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6]2)(CH3)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6,6]N[6,6]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6]2)(CH3){1|N<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.3360	0.000	1	110.3360	0.000	1	110.3360	0.000	1	109.3405	1.982	2	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[5,6,6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]HH)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]N[5]H)(CCCH)(H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]HH)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]N[5]H)(CCCH)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.6670	0.000	1	110.6670	0.000	1	110.6670	0.000	1	108.4566	1.969	29	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CC[6a]HH)(H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CC[6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.6500	0.000	1	110.6500	0.000	1	110.7525	0.021	2	108.4566	1.969	29	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CH3)(H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CH3)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.8550	0.000	1	110.8550	0.000	1	110.7525	0.021	2	108.4566	1.969	29	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[5a,6,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]N[5a,6]CC)(C[6]C[6]HH)(H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[5a,6,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]N[5a,6]CC)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.3240	0.000	1	110.3240	0.000	1	109.4053	1.518	6	108.4566	1.969	29	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[5a,6,6a]C[6,6a])(C[6,6]C[6]2H)2(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]N[5a,6]CC)(C[6]C[6]HH)(H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[5a,6,6a]C[6,6a])(C[6,6]C[6]2H)2(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>,5|C<4>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]N[5a,6]CC)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]2)	107.8750	0.274	2	107.8750	0.075	2	109.4053	1.518	6	108.4566	1.969	29	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.1193	0.478	3	110.1193	0.228	3	109.4053	1.518	6	108.4566	1.969	29	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]C)(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HN)(C[6]O[6]HH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]C)(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HN)(C[6]O[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	109.4400	0.390	2	109.4400	0.152	2	108.4740	2.876	3	108.4566	1.969	29	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6]N[6])(C[6,6]C[6]2H)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6]N[6])(C[6,6]C[6]2H)2(H){2|C<3>,3|C<4>,8|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6a]C[6]H)(C[6]C[6]CH)(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(C[3x6]C[6,6]3)	106.5420	0.000	1	106.5420	0.000	1	108.4740	2.876	3	108.4566	1.969	29	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	N[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6]2H)2(H)	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6]HH)2(H)	H(C[3x6]C[6,6]2N[3x6])	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6]2H)2(H){1|C<3>,2|N<3>,3|C<4>,9|H<1>}	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6]HH)2(H){4|C<4>,5|H<1>}	H(C[3x6]C[6,6]2N[3x6])	109.1110	0.000	1	109.4105	0.179	2	109.2853	0.137	3	108.4566	1.969	29	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	N[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6]2H)2(H)	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6]HH)2(H)	H(C[3x6]C[6,6]2N[3x6])	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6]2H)2(H){1|O<1>,2|N<3>,3|C<4>,8|H<1>}	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	H(C[3x6]C[6,6]2N[3x6])	109.7100	0.000	1	109.4105	0.179	2	109.2853	0.137	3	108.4566	1.969	29	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	N[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6]2H)2(H)	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[3x6]C[6,6]2N[3x6])	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6]2H)2(H){1|C<3>,2|N<3>,3|C<4>,9|H<1>}	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,6|C<4>}	H(C[3x6]C[6,6]2N[3x6])	109.0350	0.000	1	109.0350	0.000	1	109.2853	0.137	3	108.4566	1.969	29	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	N[4x6]-3:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HO)(H)	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHHO)(H)	H(C[3x6]C[6,6]N[4x6]C[6])	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HO)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHHO)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]N[4x6]C[6])	107.6950	0.000	1	107.6950	0.000	1	107.6950	0.000	1	108.4566	1.969	29	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](N[6,6]C[5,6]C[6,6])(C[6,6]C[6]2H)2(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](N[6,6]C[5,6]C[6,6])(C[6,6]C[6]2H)2(H){1|C<3>,1|N<3>,3|C<4>,9|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[3x6]C[6,6]2N[6,6])	107.9740	0.000	1	107.9740	0.000	1	107.3588	0.198	13	108.4566	1.969	29	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](N[6,6]C[5,6]C[6,6])(C[6,6]C[6]2H)2(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](N[6,6]C[5,6]C[6,6])(C[6,6]C[6]2H)2(H){1|C<3>,1|N<3>,3|C<4>,9|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[3x6]C[6,6]2N[6,6])	107.9210	0.000	1	107.9210	0.000	1	107.3588	0.198	13	108.4566	1.969	29	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H){10|H<1>,1|C<3>,1|N<3>,2|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(H){1|C<3>,3|H<1>,4|C<4>}	H(C[3x6]C[6,6]2N[6,6])	107.2470	0.000	1	107.2868	0.185	6	107.3588	0.198	13	108.4566	1.969	29	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H){10|H<1>,1|C<3>,1|N<3>,2|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]2N[6,6])	107.6183	0.037	3	107.2868	0.185	6	107.3588	0.198	13	108.4566	1.969	29	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H){11|H<1>,1|N<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(H){4|C<4>,5|H<1>}	H(C[3x6]C[6,6]2N[6,6])	106.5470	0.000	1	107.2868	0.185	6	107.3588	0.198	13	108.4566	1.969	29	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H){1|N<3>,1|O<1>,3|C<4>,9|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	H(C[3x6]C[6,6]2N[6,6])	107.0720	0.000	1	107.2868	0.185	6	107.3588	0.198	13	108.4566	1.969	29	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H){10|H<1>,1|C<3>,1|N<3>,2|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[3x6]C[6,6]2N[6,6])	107.4547	0.138	3	107.2098	0.152	5	107.3588	0.198	13	108.4566	1.969	29	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H){11|H<1>,1|N<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){3|H<1>,5|C<4>}	H(C[3x6]C[6,6]2N[6,6])	106.5970	0.000	1	107.2098	0.152	5	107.3588	0.198	13	108.4566	1.969	29	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H){1|N<3>,1|O<1>,3|C<4>,9|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[3x6]C[6,6]2N[6,6])	107.0880	0.000	1	107.2098	0.152	5	107.3588	0.198	13	108.4566	1.969	29	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:4:4:	4:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:C-4:	C[3x6]-4:	C[3x6](N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CH3)2	H(C[3x6]C[6,6]2N[6,6])	C[3x6](N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CH3)2{1|O<2>,2|C<3>,3|H<1>}	H(C[3x6]C[6,6]2N[6,6])	108.9702	0.509	8	108.9702	0.259	8	108.9702	0.259	8	108.9702	0.259	8	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:2:2:1:	4:4:1:1:	4:	C[6,6]-4:S[6,6]-2:S[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(S[6,6]C[3x6])2(H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]S[6,6]2H)(H)2	H(C[3x6]C[6,6]S[6,6]2)	C[3x6](C[6,6]C[3x6]HH)(S[6,6]C[3x6])2(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]S[6,6]2H)(H)2{2|C<4>,4|H<1>}	H(C[3x6]C[6,6]S[6,6]2)	106.8475	0.118	6	106.8475	0.014	6	106.8475	0.014	6	106.8475	0.014	6	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:2:3:1:	4:4:1:1:	4:	C[6,6]-4:O[6,6]-2:C[6,6]-3:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(O[6,6]C[5,6,6])(C[6,6]C[6,6]H)(H)	C[6,6](C[5,3x6]C[5,4x6]N[5,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[5,3x6]HH)(O[6,6]C[5,6,6])(C[6,6]C[6,6]H)(H){1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[5,4x6]N[5,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[3x6]C[6,6]2O[6,6])	111.4690	0.000	1	111.4690	0.000	1	111.4690	0.000	1	111.4690	0.000	1	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:2:4:1:	4:4:2:1:	4:	C[6,6]-4:O[6,6]-2:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HO)(O[6,6]C[5,5,6,6])(C[6,6]C[6,6]CH)(H)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]O[6,6]H)(OH)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[5,6,6]HO)(O[6,6]C[5,5,6,6])(C[6,6]C[6,6]CH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]O[6,6]H)(OH)(H){2|H<1>,2|O<2>,4|C<4>}	H(C[3x6]C[6,6]2O[6,6])	108.7720	0.341	2	108.7720	0.116	2	108.7720	0.116	2	108.7720	0.116	2	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:2:4:1:	4:4:4:1:	4:	C[6,6]-4:O[6,6]-2:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HO)(O[6,6]C[5,5,6,6])(C[6,6]C[6,6]CH)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,5,3x6]HH)(CH3)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[5,6,6]HO)(O[6,6]C[5,5,6,6])(C[6,6]C[6,6]CH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,5,3x6]HH)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[3x6]C[6,6]2O[6,6])	108.7440	0.246	2	108.7440	0.061	2	108.7440	0.061	2	108.7440	0.061	2	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C[5a]C)(H)2	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C[5a]C)(H)2{1|H<1>,5|C<3>}	H(C[3x6]C[6,6]2O[6,6])	110.5040	0.185	2	110.5040	0.034	2	110.5844	0.761	37	110.4724	0.732	43	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C[6a]C)(H)2	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C[6a]C)(H)2{1|H<1>,5|C<3>}	H(C[3x6]C[6,6]2O[6,6])	111.1710	0.000	1	111.1710	0.000	1	110.5844	0.761	37	110.4724	0.732	43	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(H)2	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H){1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[3x6]C[6,6]2O[6,6])	110.4930	0.000	1	110.4930	0.000	1	110.5844	0.761	37	110.4724	0.732	43	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]ClC)(H)2	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H){1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,1|O<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]ClC)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[3x6]C[6,6]2O[6,6])	110.8843	0.706	11	110.8843	0.498	11	110.5844	0.761	37	110.4724	0.732	43	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(H)2	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(H)2{1|H<1>,3|C<3>}	H(C[3x6]C[6,6]2O[6,6])	110.9220	0.000	1	110.9220	0.000	1	110.5844	0.761	37	110.4724	0.732	43	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H){1|C<3>,1|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[3x6]C[6,6]2O[6,6])	111.1114	1.642	5	110.5664	1.355	11	110.5844	0.761	37	110.4724	0.732	43	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H){1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[3x6]C[6,6]2O[6,6])	110.2730	0.000	1	110.5664	1.355	11	110.5844	0.761	37	110.4724	0.732	43	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H){1|C<4>,1|C<5>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[3x6]C[6,6]2O[6,6])	110.1220	0.000	1	110.5664	1.355	11	110.5844	0.761	37	110.4724	0.732	43	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[3x6]C[6,6]2O[6,6])	110.0695	0.056	4	110.5664	1.355	11	110.5844	0.761	37	110.4724	0.732	43	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]N[5]H)(H)2	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H){1|C<4>,1|N<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]N[5]H)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[3x6]C[6,6]2O[6,6])	111.0310	1.543	2	111.0310	2.381	2	110.5844	0.761	37	110.4724	0.732	43	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(O[6,6]N[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CC)(H)2	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(O[6,6]N[6,6])(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CC)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[3x6]C[6,6]2O[6,6])	110.0012	0.515	8	110.0012	0.266	8	110.5844	0.761	37	110.4724	0.732	43	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H)	C[6,6](C[5,3x6]C[5,3x6]C[6,6]N[5,6])(C[3x6]C[6,6]O[6,6]H)(H)2	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6,6](C[5,3x6]C[5,3x6]C[6,6]N[5,6])(C[3x6]C[6,6]O[6,6]H)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[3x6]C[6,6]2O[6,6])	109.7820	0.091	6	109.7820	0.008	6	109.7820	0.008	6	110.4724	0.732	43	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[3x6]H)(O[6,6]O[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]HH)(OO)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[3x6]H)(O[6,6]O[6,6])(H){2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]HH)(OO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[3x6]C[6,6]2O[6,6])	110.0950	0.000	1	110.0950	0.000	1	110.2090	0.026	2	110.2090	0.026	2	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]O)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(OC)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]O)(O[6,6]C[6,6])(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[3x6]C[6,6]2O[6,6])	110.3230	0.000	1	110.3230	0.000	1	110.2090	0.026	2	110.2090	0.026	2	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6]2O[6,6])	110.5320	0.006	2	110.5320	0.000	2	110.5320	0.000	2	111.0120	1.371	4	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H){1|O<2>,2|H<1>,2|O<1>,3|C<3>}	H(C[3x6]C[6,6]2O[6,6])	111.4920	1.786	2	111.4920	3.190	2	111.4920	3.190	2	111.0120	1.371	4	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]2H)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CO)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]2H)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H){1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CO)(H){2|C<3>,2|C<4>,2|H<1>,4|O<2>}	H(C[3x6]C[6,6]2O[6,6])	109.9710	0.485	2	109.9710	0.235	2	109.9710	0.235	2	109.9710	0.235	2	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(CH3)2	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(CH3)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[3x6]C[6,6]2O[6,6])	109.8080	0.000	1	109.8080	0.000	1	109.8080	0.000	1	109.8080	0.000	1	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	3:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-3:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)2(H)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)2(H){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[3x6]C[6,6]3)	112.3390	0.000	1	112.3390	0.000	1	112.3390	0.000	1	111.8607	0.172	3	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	3:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	P[3x6]-3:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]P[3x6]HH)(C[6,6]C[3x6]C)(C[6,6]C[6,6]H)(H)	C[6,6](P[3x6]C[4x6]C[6])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]P[3x6]HH)(C[6,6]C[3x6]C)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6,6](P[3x6]C[4x6]C[6])(C[3x6]C[6,6]2H)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[3x6]C[6,6]3)	111.6215	0.018	2	111.6215	0.000	2	111.6215	0.000	2	111.8607	0.172	3	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	3:4:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5a]-3:C[3x6]-4:C[6,6]-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H)	C[6,6](C[5a]C[5a,6a]C[5a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5a]C[5a,6a]C[5a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[3x6]C[6,6]3)	111.6375	0.343	2	111.6375	0.118	2	111.6375	0.118	2	111.6375	0.118	2	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:2:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]H)(CC)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H){1|C<4>,1|N<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]H)(CC)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	80.1953	0.000	1	80.1953	0.000	1	80.1953	0.000	1	80.1953	0.000	1	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:2:2:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(C[6,6]C[6,6]I)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(OC)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(C[6,6]C[6,6]I)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(OC)2{1|I<1>,2|C<3>,2|H<1>}	H(C[3x6]C[6,6]3)	105.1640	0.000	1	105.1640	0.000	1	108.5295	22.653	2	109.3640	13.416	3	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:2:2:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]OO)(C[6,6]C[6,6]Si)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(OC)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]OO)(C[6,6]C[6,6]Si)(C[6,6]C[3x6]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(OC)2{1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[3x6]C[6,6]3)	111.8950	0.000	1	111.8950	0.000	1	108.5295	22.653	2	109.3640	13.416	3	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:2:2:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(OC)2	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H){1|C<4>,1|H<1>,1|O<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(OC)2{1|O<2>,2|C<3>,2|H<1>}	H(C[3x6]C[6,6]2N[6,6])	111.0330	0.000	1	111.0330	0.000	1	111.0330	0.000	1	109.3640	13.416	3	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:3:4:	4:	C[6,6]-4:N[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:N[6]-3:N[6]-3:C-4:	C[3x6]-4:	C[3x6](C[6,6]N[6]2C)(N[6,6]C[6]2)2(H)	C[6,6](C[3x6]N[6,6]2H)(N[6]C[6]H)2(CH3)	H(C[3x6]C[6,6]N[6,6]2)	C[3x6](C[6,6]N[6]2C)(N[6,6]C[6]2)2(H){10|H<1>,3|C<4>}	C[6,6](C[3x6]N[6,6]2H)(N[6]C[6]H)2(CH3){4|C<4>,4|H<1>}	H(C[3x6]C[6,6]N[6,6]2)	107.8410	0.000	1	107.8410	0.000	1	107.8410	0.000	1	107.8410	0.000	1	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N)(CHHO)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H){1|C<4>,1|H<1>,1|N<2>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N)(CHHO)(H){1|O<2>,2|C<3>,2|H<1>}	H(C[3x6]C[6,6]2N[6,6])	111.1800	0.000	1	111.1800	0.000	1	111.1800	0.000	1	111.1800	0.000	1	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:4:3:	4:	C[6,6]-4:C[3x6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]C)(C[3x6]C[3x6]C[6])(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[3x6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO)	H(C[3x6]C[3x6]C[6,6]N[6,6])	C[3x6](C[6,6]C[6,6]C[5a]C)(C[3x6]C[3x6]C[6])(N[6,6]C[6,6]C)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO){2|H<1>,3|C<4>,4|C<3>}	H(C[3x6]C[3x6]C[6,6]N[6,6])	110.6880	0.000	1	110.6880	0.000	1	110.6880	0.000	1	110.1930	0.490	2	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:4:3:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO){2|H<1>,3|C<3>,4|C<4>}	H(C[3x6]C[6,6]2N[6,6])	109.6980	0.000	1	109.6980	0.000	1	109.6980	0.000	1	110.1930	0.490	2	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(CHHO)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(CHHO){2|H<1>,3|C<3>,4|C<4>}	H(C[3x6]C[6,6]2N[6,6])	109.8590	0.000	1	109.8590	0.000	1	109.8590	0.000	1	109.8590	0.000	1	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]H)2(H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]H)2(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	111.4730	0.000	1	111.4730	0.000	1	111.5455	0.035	6	111.2547	0.965	35	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(C[3x6]C[6,6]3)	111.6560	0.000	1	111.6520	0.000	4	111.5455	0.035	6	111.2547	0.965	35	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(C[6,6]C[6,6]C)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(C[3x6]C[6,6]3)	111.6507	0.012	3	111.6520	0.000	4	111.5455	0.035	6	111.2547	0.965	35	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,6|C<4>}	H(C[3x6]C[6,6]3)	111.1920	0.000	1	111.1920	0.000	1	111.5455	0.035	6	111.2547	0.965	35	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[3x6]C[6,6]3)	111.4625	0.139	2	111.4625	0.019	2	111.5264	0.105	5	111.2547	0.965	35	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(C[3x6]C[6,6]3)	111.0720	0.000	1	111.0720	0.000	1	111.5264	0.105	5	111.2547	0.965	35	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(H){1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|N<3>,2|O<1>}	H(C[3x6]C[6,6]3)	111.7280	0.000	1	111.8175	0.016	2	111.5264	0.105	5	111.2547	0.965	35	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(H){1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|N<3>,2|O<1>}	H(C[3x6]C[6,6]3)	111.9070	0.000	1	111.8175	0.016	2	111.5264	0.105	5	111.2547	0.965	35	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,4x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,4x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|O<1>,5|C<4>}	H(C[3x6]C[6,6]3)	111.7470	0.000	1	111.7470	0.000	1	111.7470	0.000	1	111.2547	0.965	35	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]H)(H)	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[3x6]C[6,6]3)	112.4470	0.079	3	112.4470	0.006	3	112.2552	0.084	6	111.2547	0.965	35	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[3x6]C[6,6]3)	112.4010	0.000	1	112.4010	0.000	1	112.2552	0.084	6	111.2547	0.965	35	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<4>,1|H<1>,2|O<1>,3|C<3>}	H(C[3x6]C[6,6]3)	111.8945	0.122	2	111.8945	0.015	2	112.2552	0.084	6	111.2547	0.965	35	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[3x6]C[6,6]2N[6,6])	109.8770	0.000	1	109.8770	0.000	1	111.1684	0.520	11	111.2547	0.965	35	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]S)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]S)(H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[3x6]C[6,6]2N[6,6])	111.6780	0.000	1	111.2255	0.410	2	111.1684	0.520	11	111.2547	0.965	35	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]S)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]S)(H){1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[3x6]C[6,6]2N[6,6])	110.7730	0.000	1	111.2255	0.410	2	111.1684	0.520	11	111.2547	0.965	35	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H){1|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[3x6]C[6,6]2N[6,6])	111.5260	0.750	5	111.5260	0.562	5	111.1684	0.520	11	111.2547	0.965	35	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]CH)(H)2	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	H(C[3x6]C[6,6]2N[6,6])	110.7630	0.000	1	110.7630	0.000	1	111.1684	0.520	11	111.2547	0.965	35	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N[5]H)(H)2	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N[5]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(C[3x6]C[6,6]2N[6,6])	110.9190	0.000	1	110.9190	0.000	1	111.1684	0.520	11	111.2547	0.965	35	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(N[6,6]C[6,6]C)(H){1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[3x6]C[6,6]2N[6,6])	111.2120	0.000	1	111.2120	0.000	1	111.1684	0.520	11	111.2547	0.965	35	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:1:	4:	C[6,6]-4:N[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(N[6,6]C[3x6]N)2(H)	C[6,6](C[3x6]C[6,6]2O)(C[3x6]N[6,6]2H)(H)2	H(C[3x6]C[6,6]N[6,6]2)	C[3x6](C[6,6]C[3x6]HH)(N[6,6]C[3x6]N)2(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2O)(C[3x6]N[6,6]2H)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[3x6]C[6,6]N[6,6]2)	110.8830	0.080	3	110.8830	0.006	3	110.8830	0.006	3	111.2547	0.965	35	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:1:	4:	C[6,6]-4:N[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]H)2(H)	C[6,6](C[3x6]N[6,6]2H)(N[3x6]C[6,6]2C)(H)2	H(C[3x6]C[6,6]N[6,6]2)	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]H)2(H){1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]N[6,6]2H)(N[3x6]C[6,6]2C)(H)2{2|C<4>,6|H<1>}	H(C[3x6]C[6,6]N[6,6]2)	108.7440	0.166	3	108.7440	0.028	3	108.7440	0.028	3	111.2547	0.965	35	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]CH)(CN)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H){1|B<4>,1|C<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]CH)(CN)(H){1|N<3>,2|C<3>,2|H<1>}	H(C[3x6]C[6,6]3)	113.7230	0.000	1	113.7230	0.000	1	113.7230	0.000	1	112.6065	2.493	2	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:S-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HS)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(SC[6a])(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HS)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|Br<1>,1|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(SC[6a])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[3x6]C[6,6]3)	111.4900	0.000	1	111.4900	0.000	1	111.4900	0.000	1	112.6065	2.493	2	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6a]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[6a]H)(C[6,6]N[6,6]O)2(H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[6a]H)(C[6,6]N[6,6]O)2(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){2|C<4>,2|N<3>,2|O<1>,3|C<3>,3|H<1>}	H(C[3x6]C[6,6]3)	111.5660	0.040	2	111.5660	0.002	2	111.5660	0.002	2	111.4366	0.075	11	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[3x6]C[6,6]3)	111.4060	0.000	1	111.4060	0.000	1	111.4060	0.000	1	111.4366	0.075	11	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[6a]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]C[6a]H)(C[6,6]C[5,5,6,6]O)(C[6,6]C[6,6]C)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]C[6a]H)(C[6,6]C[5,5,6,6]O)(C[6,6]C[6,6]C)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	H(C[3x6]C[6,6]3)	111.2690	0.000	1	111.2690	0.000	1	111.4860	0.094	2	111.4366	0.075	11	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[6a]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]C[6a]H)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]C[6a]H)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(H){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|O<1>,3|C<3>,4|H<1>}	H(C[3x6]C[6,6]3)	111.7030	0.000	1	111.7030	0.000	1	111.4860	0.094	2	111.4366	0.075	11	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:C[3x6]-4:C[6a]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[5,6,6]O)2(H)	C[6,6](C[6,6]C[5,3x6]CH)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[5,6,6]O)2(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[5,3x6]CH)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	H(C[3x6]C[6,6]3)	111.5515	0.162	4	111.5515	0.026	4	111.5515	0.026	4	111.4366	0.075	11	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCO)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H){1|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCO)(H){2|C<3>,3|C<4>}	H(C[3x6]C[6,6]2N[6,6])	111.3420	0.000	1	111.3420	0.000	1	111.3420	0.000	1	111.4366	0.075	11	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(H){1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[3x6]C[6,6]2N[6,6])	110.7450	0.000	1	110.7450	0.000	1	110.7450	0.000	1	111.4366	0.075	11	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:3:3:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]CH)(CNO)(COO)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(H){2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]CH)(CNO)(COO){1|C<4>,2|C<3>,2|H<1>}	H(C[3x6]C[6,6]2N[6,6])	111.1840	0.000	1	111.1840	0.000	1	111.1840	0.000	1	111.1840	0.000	1	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6a]-3:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6a]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(CCHH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[6a]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(CCHH){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	H(C[3x6]C[6,6]3)	111.8560	0.305	2	111.8560	0.093	2	111.8560	0.093	2	111.8560	0.093	2	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(CCCH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(CCCH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	H(C[3x6]C[6,6]3)	111.0950	0.000	1	111.0950	0.000	1	111.1980	0.021	2	111.2807	0.031	3	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]N)(C[6,6]N[6,6]O)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(CCCH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]N)(C[6,6]N[6,6]O)(H){1|C<2>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(CCCH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|N<3>}	H(C[3x6]C[6,6]3)	111.3010	0.000	1	111.3010	0.000	1	111.1980	0.021	2	111.2807	0.031	3	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CHHO)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(H){2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CHHO)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[3x6]C[6,6]2N[6,6])	111.4460	0.000	1	111.4460	0.000	1	111.4460	0.000	1	111.2807	0.031	3	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(CH3)(COO)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(CH3)(COO){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	111.7140	0.000	1	111.7140	0.000	1	111.7140	0.000	1	111.7140	0.000	1	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(H)	C[6,6](C[3x6]C[6,6]2H)2(CH3)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(H){1|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(CH3)2{2|O<1>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	110.2445	0.087	2	110.2445	0.008	2	110.2445	0.008	2	110.2445	0.008	2	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:4:1:	4:2:1:1:	4:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,3x6]C[6]O[5])(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]O[6,6]HH)(H)	C[6,6](C[3x6]C[6,6,6a]C[5,3x6]H)(O[6,6]C[3x6])(H)2	H(C[3x6]C[6,6,6a]C[5,3x6]C[6,6])	C[3x6](C[5,3x6]C[5,3x6]C[6]O[5])(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]O[6,6]HH)(H){2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6,6a]C[5,3x6]H)(O[6,6]C[3x6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[3x6]C[6,6,6a]C[5,3x6]C[6,6])	111.2060	0.000	1	111.2060	0.000	1	111.2060	0.000	1	111.2060	0.000	1	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:4:1:	4:3:4:2:	4:	C[3x6]-4:C[3x6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[3x6]-4:	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CO)(H)	C[6,6](C[3x6]C[3x6]2H)(C[6,6]C[3x6]O)(CCHH)(OH)	H(C[3x6]C[3x6]2C[6,6])	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CO)(H){1|O<1>,2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[3x6]C[3x6]2H)(C[6,6]C[3x6]O)(CCHH)(OH){1|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[3x6]2C[6,6])	110.1760	0.000	1	110.1760	0.000	1	110.1760	0.000	1	110.1760	0.000	1	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:4:1:	4:4:1:1:	4:	C[3x6]-4:C[3x6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]S[6]H)(C[3x6]C[3x6]C[6])(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[3x6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[3x6]2C[6,6])	C[3x6](C[3x6]C[3x6]S[6]H)(C[3x6]C[3x6]C[6])(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[3x6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	H(C[3x6]C[3x6]2C[6,6])	110.8230	0.214	2	110.8230	0.046	2	110.8230	0.046	2	110.2665	3.903	15	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[3x6]C[3x6]C[6,6]2)	110.6560	0.000	1	110.4490	0.086	2	110.4490	0.086	2	110.2665	3.903	15	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[3x6]C[3x6]C[6,6]2)	110.2420	0.000	1	110.4490	0.086	2	110.4490	0.086	2	110.2665	3.903	15	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:4:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6,6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[4,6,6]C[6,6]2)	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[3x6]C[4,6,6]C[6,6]2)	110.8610	0.000	1	110.8610	0.000	1	110.8610	0.000	1	110.2665	3.903	15	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[4x6]C[6,6]H)(H)2	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[4x6]C[6,6]H)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[3x6]C[4x6]C[6,6]2)	106.9965	0.292	2	106.9965	0.085	2	106.9965	0.085	2	110.2665	3.903	15	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[5,4x6]C[3x6]H)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[5,4x6]C[3x6]H)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]HH)(H){1|Cl<1>,4|H<1>,5|C<4>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[3x6]C[4x6]C[6,6]2)	111.3250	0.000	1	111.3250	0.000	1	111.3250	0.000	1	110.2665	3.903	15	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[3x6]C[6,6a]C[4x6]H)(H)2	H(C[3x6]C[6,6a]C[4x6]C[6,6])	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(H){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[3x6]C[6,6a]C[4x6]H)(H)2{1|C<4>,3|H<1>,5|C<3>}	H(C[3x6]C[6,6a]C[4x6]C[6,6])	108.5740	0.161	3	108.5740	0.026	3	108.5740	0.026	3	110.2665	3.903	15	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5,6]Ru)(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6,6a]C[5,6,6]C[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5,6]Ru)(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(H){3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{1|Ru<10>,1|H<1>,2|C<3>,2|C<4>}	H(C[3x6]C[6,6,6a]C[5,6,6]C[6,6])	113.4155	0.056	2	113.4155	0.003	2	113.4155	0.003	2	110.2665	3.903	15	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]HO)(H)	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]HO)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|O<1>,3|O<2>,4|C<4>}	H(C[3x6]C[6,6]3)	111.3610	0.007	2	111.3610	0.000	2	111.3610	0.000	2	110.2665	3.903	15	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]HO)(H)	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2H)(OC)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]HO)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2H)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	H(C[3x6]C[6,6]3)	111.4015	0.032	2	111.4015	0.001	2	111.4015	0.001	2	111.4015	0.001	2	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:3:4:1:	4:4:3:1:	4:	C[3,6,6]-4:N[5,6,6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CH)(H)	C[6,6](C[3x6]C[3,6,6]N[5,6,6]H)(C[6,6]C[3x6]C[5]H)(CHO)(H)	H(C[3x6]C[3,6,6]N[5,6,6]C[6,6])	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[3,6,6]N[5,6,6]H)(C[6,6]C[3x6]C[5]H)(CHO)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[3,6,6]N[5,6,6]C[6,6])	111.3380	0.000	1	111.3380	0.000	1	111.3380	0.000	1	111.3380	0.000	1	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:2:1:1:	4:	C[3,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:F-1:H-1:	C[3x6]-4:	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]O[6,6]FH)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[3,6,6]O[6,6]H)(O[6,6]C[3x6])(F)(H)	H(C[3x6]C[3,6,6]C[6,6]O[6,6])	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]O[6,6]FH)(O[6,6]C[6,6])(H){1|C<4>,3|H<1>}	C[6,6](C[3x6]C[3,6,6]O[6,6]H)(O[6,6]C[3x6])(F)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[3x6]C[3,6,6]C[6,6]O[6,6])	110.9350	2.005	3	110.9350	4.020	3	110.9350	4.020	3	111.0577	2.824	8	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:2:1:1:	4:	C[3,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]O[6,6]HH)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[3,6,6]O[6,6]H)(O[6,6]C[3x6])(H)2	H(C[3x6]C[3,6,6]C[6,6]O[6,6])	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]O[6,6]HH)(O[6,6]C[6,6])(H){1|C<4>,1|F<1>,2|H<1>}	C[6,6](C[3x6]C[3,6,6]O[6,6]H)(O[6,6]C[3x6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[3x6]C[3,6,6]C[6,6]O[6,6])	112.1153	1.473	3	112.1153	2.169	3	112.1153	2.169	3	111.0577	2.824	8	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,5,6,6]O[5]H)(C[6,6]O[6,6]HH)(O[6,6]C[5,6,6])(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(O[6,6]C[5,3x6])(H)2	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	C[3x6](C[5,6,6]C[5,5,6,6]O[5]H)(C[6,6]O[6,6]HH)(O[6,6]C[5,6,6])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(O[6,6]C[5,3x6])(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	109.8210	0.000	1	109.8210	0.000	1	109.8210	0.000	1	111.0577	2.824	8	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]HH)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(O[6,6]C[3x6])(H)2	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]HH)(O[6,6]C[6,6])(H){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(O[6,6]C[3x6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.4900	0.000	1	109.4900	0.000	1	109.4900	0.000	1	111.0577	2.824	8	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:2:2:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HS)(C[6,6]O[6,6]HO)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(O[6,6]C[3x6])(OC)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HS)(C[6,6]O[6,6]HO)(O[6,6]C[6,6])(H){1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(O[6,6]C[3x6])(OC)(H){1|S<4>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.5810	0.000	1	109.5810	0.000	1	109.5810	0.000	1	109.8515	0.146	2	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:2:2:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:S-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]HS)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(O[6,6]C[3x6])(SC[6a])(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]HS)(O[6,6]C[6,6])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(O[6,6]C[3x6])(SC[6a])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[3x6]C[6,6]2O[6,6])	110.1220	0.000	1	110.1220	0.000	1	110.1220	0.000	1	109.8515	0.146	2	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:2:3:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:N[6a]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]O[6,6]N[6a]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(O[6,6]C[3x6])(N[6a]C[6a]2)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]O[6,6]N[6a]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(O[6,6]C[3x6])(N[6a]C[6a]2)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.7263	0.199	6	109.7263	0.039	6	109.7263	0.039	6	109.7263	0.039	6	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]O)(C[6,6]C[6,6]HH)(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]O)(H)2	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5]O)(C[6,6]C[6,6]HH)(O[6,6]C[3x6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]O)(H)2{1|O<2>,4|C<4>}	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	109.6250	0.000	1	109.3305	0.173	2	109.3305	0.173	2	109.2670	0.158	4	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]O)(C[6,6]C[6,6]HH)(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]O)(H)2	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5]O)(C[6,6]C[6,6]HH)(O[6,6]C[3x6])(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]O)(H)2{1|O<2>,4|C<4>}	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	109.0360	0.000	1	109.3305	0.173	2	109.3305	0.173	2	109.2670	0.158	4	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]O)(H)2	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]O)(H)2{5|C<4>}	H(C[3x6]C[6,6]2O[6,6])	108.8270	0.000	1	108.8270	0.000	1	108.8270	0.000	1	109.2670	0.158	4	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(N[6,6]C[3x6]C)(H)2	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(O[6,6]C[6,6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(N[6,6]C[3x6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.5800	0.000	1	109.5800	0.000	1	109.5800	0.000	1	109.2670	0.158	4	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]O)(CH3)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H){1|C<3>,1|C<4>,1|O<2>,2|O<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]O)(CH3)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[3x6]C[6,6]2O[6,6])	109.1950	0.000	1	109.0045	0.073	2	109.0045	0.073	2	109.0045	0.073	2	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]O)(CH3)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H){1|O<2>,2|C<4>,2|O<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]O)(CH3)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[3x6]C[6,6]2O[6,6])	108.8140	0.000	1	109.0045	0.073	2	109.0045	0.073	2	109.0045	0.073	2	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-3:C-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(CH3)2	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(CH3)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.3730	0.000	1	109.3730	0.000	1	109.3730	0.000	1	109.3730	0.000	1	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2	H(C[3x6]C[3x6]C[6,6]O[6,6])	C[3x6](C[3x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(H){2|H<1>,2|O<2>,5|C<4>}	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	109.5260	0.000	1	109.3083	0.039	4	109.3368	0.033	5	109.5769	0.637	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2	H(C[3x6]C[3x6]C[6,6]O[6,6])	C[3x6](C[3x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(H){2|H<1>,2|O<2>,5|C<4>}	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2{2|H<1>,4|C<4>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	109.2357	0.163	3	109.3083	0.039	4	109.3368	0.033	5	109.5769	0.637	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]C[6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2	H(C[3x6]C[3x6]C[6,6]O[6,6])	C[3x6](C[3x6]C[4x6]C[6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(H){2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2{2|H<1>,4|C<4>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	109.4510	0.000	1	109.4510	0.000	1	109.3368	0.033	5	109.5769	0.637	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]C[6]C)(C[6,6]C[5,3x6]HH)(O[6,6]C[6,6])(H)	C[6,6](C[5,3x6]C[5,6a]C[4x6]C[5,6])(C[3x6]C[3x6]O[6,6]H)(H)2	H(C[3x6]C[3x6]C[6,6]O[6,6])	C[3x6](C[3x6]C[4x6]C[6]C)(C[6,6]C[5,3x6]HH)(O[6,6]C[6,6])(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,3x6]C[5,6a]C[4x6]C[5,6])(C[3x6]C[3x6]O[6,6]H)(H)2{1|H<1>,1|N<2>,3|C<4>,4|C<3>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	109.6170	0.000	1	109.6170	0.000	1	109.6170	0.000	1	109.5769	0.637	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:O[6]-2:H-1:	C[3x6]-4:C[4,6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4,6,6]C[6]C)(C[6,6]C[4,6,6]HH)(O[6]C[6])(H)	C[6,6](C[3x6]C[3x6]O[6]H)(C[4,6,6]C[4,6]2H)(H)2	H(C[3x6]C[3x6]C[6,6]O[6])	C[3x6](C[3x6]C[4,6,6]C[6]C)(C[6,6]C[4,6,6]HH)(O[6]C[6])(H){1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[3x6]C[3x6]O[6]H)(C[4,6,6]C[4,6]2H)(H)2{2|H<1>,6|C<4>}	H(C[3x6]C[3x6]C[6,6]O[6])	108.5810	0.413	2	108.5810	0.171	2	108.3343	0.268	3	109.5769	0.637	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:O[6]-2:H-1:	C[3x6]-4:C[4,6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4,6,6]C[6]O)(C[6,6]C[4,6,6]HH)(O[6]C[6])(H)	C[6,6](C[3x6]C[3x6]O[6]H)(C[4,6,6]C[4,6]2H)(H)2	H(C[3x6]C[3x6]C[6,6]O[6])	C[3x6](C[3x6]C[4,6,6]C[6]O)(C[6,6]C[4,6,6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[3x6]O[6]H)(C[4,6,6]C[4,6]2H)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[3x6]C[6,6]O[6])	107.8410	0.000	1	107.8410	0.000	1	108.3343	0.268	3	109.5769	0.637	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:S[6]-2:H-1:	C[3x6]-4:C[4,6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4,6,6]S[6]C)(C[6,6]C[4,6,6]HH)(S[6]C[5,6])(H)	C[6,6](C[3x6]C[3x6]S[6]H)(C[4,6,6]C[4,6]2H)(H)2	H(C[3x6]C[3x6]C[6,6]S[6])	C[3x6](C[3x6]C[4,6,6]S[6]C)(C[6,6]C[4,6,6]HH)(S[6]C[5,6])(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[3x6]S[6]H)(C[4,6,6]C[4,6]2H)(H)2{1|C<3>,1|S<2>,2|H<1>,4|C<4>}	H(C[3x6]C[3x6]C[6,6]S[6])	112.5840	0.000	1	112.5840	0.000	1	112.5840	0.000	1	109.5769	0.637	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6,6]-4:N[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4,6,6]C[4,6,6]C[4,4]H)(C[6,6]C[6,6]HH)(N[6,6]N[6,6])(H)	C[6,6](C[3x6]C[4,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[4,6,6]C[6,6]N[6,6])	C[3x6](C[4,6,6]C[4,6,6]C[4,4]H)(C[6,6]C[6,6]HH)(N[6,6]N[6,6])(H){3|C<4>,4|H<1>}	C[6,6](C[3x6]C[4,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[3x6]C[4,6,6]C[6,6]N[6,6])	111.7405	0.837	2	111.7405	0.700	2	111.7405	0.700	2	109.5769	0.637	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:O[6]-2:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[4x6]C[6,6]Br)(C[6,6]C[3x6]HH)(O[6]C[6])(H)	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]O[6]H)(H)2	H(C[3x6]C[4x6]C[6,6]O[6])	C[3x6](C[4x6]C[4x6]C[6,6]Br)(C[6,6]C[3x6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]O[6]H)(H)2{1|Br<1>,2|C<3>,2|C<4>}	H(C[3x6]C[4x6]C[6,6]O[6])	108.1520	0.000	1	108.1520	0.000	1	108.7450	0.264	3	109.5769	0.637	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:O[6]-2:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(O[6]C[6,6a])(H)	C[6,6](C[3x6]C[4x6]O[6]H)(C[3x6]C[6,6]2C)(H)2	H(C[3x6]C[4x6]C[6,6]O[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(O[6]C[6,6a])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[4x6]O[6]H)(C[3x6]C[6,6]2C)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[3x6]C[4x6]C[6,6]O[6])	109.0620	0.000	1	109.0620	0.000	1	108.7450	0.264	3	109.5769	0.637	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:O[6]-2:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(O[6]C[6,6a])(H)	C[6,6](C[3x6]C[4x6]O[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[4x6]C[6,6]O[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(O[6]C[6,6a])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[4x6]O[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[3x6]C[4x6]C[6,6]O[6])	109.0210	0.000	1	109.0210	0.000	1	108.7450	0.264	3	109.5769	0.637	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:O[6]-2:H-1:	C[3x6]-4:C[3x6]-4:H-1:I-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HI)(O[6]C[6])(H)	C[6,6](C[3x6]C[4x6]O[6]H)(C[3x6]C[6,6]2H)(H)(I)	H(C[3x6]C[4x6]C[6,6]O[6])	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HI)(O[6]C[6])(H){1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[4x6]O[6]H)(C[3x6]C[6,6]2H)(H)(I){1|C<3>,2|C<4>,5|H<1>}	H(C[3x6]C[4x6]C[6,6]O[6])	108.7100	0.000	1	108.7100	0.000	1	108.7100	0.000	1	109.5769	0.637	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[5,3x6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2	H(C[3x6]C[5,3x6]C[6,6]O[6,6])	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,3x6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2{1|C<3>,7|C<4>}	H(C[3x6]C[5,3x6]C[6,6]O[6,6])	109.0530	0.000	1	109.0530	0.000	1	109.0530	0.000	1	109.5769	0.637	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	109.6377	0.265	3	109.7606	0.040	12	109.6923	0.082	15	109.5769	0.637	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	109.8100	0.000	1	109.7606	0.040	12	109.6923	0.082	15	109.5769	0.637	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	109.8267	0.128	3	109.7606	0.040	12	109.6923	0.082	15	109.5769	0.637	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	109.4650	0.000	1	109.7606	0.040	12	109.6923	0.082	15	109.5769	0.637	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	109.8648	0.160	4	109.7606	0.040	12	109.6923	0.082	15	109.5769	0.637	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,3x6]C[5]O)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	C[3x6](C[5,6,6]C[5,3x6]C[5]O)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2{1|O<2>,2|C<3>,2|C<4>}	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	109.6530	0.000	1	109.6530	0.000	1	109.6923	0.082	15	109.5769	0.637	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	109.7150	0.000	1	109.7150	0.000	1	109.6923	0.082	15	109.5769	0.637	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	108.8890	0.000	1	108.8890	0.000	1	109.6923	0.082	15	109.5769	0.637	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:Br-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]BrH)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(Br)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]BrH)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(H){1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(Br)(H){1|S<4>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.4065	0.016	2	109.4065	0.000	2	109.4065	0.000	2	109.5769	0.637	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]BrH)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]BrH)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(H){1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2{2|Br<1>,1|S<4>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.3695	0.012	2	109.3695	0.000	2	109.4412	0.083	16	109.5769	0.637	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[6,6]O[6,6]O)(H)2	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|H<1>,2|C<4>,3|O<2>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[6,6]O[6,6]O)(H)2{2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]C[6,6]2O[6,6])	109.0813	0.115	3	109.0813	0.013	3	109.4412	0.083	16	109.5769	0.637	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH)(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH)(O[6,6]C[3x6])(H){1|H<1>,2|O<2>,3|C<4>}	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]2O[6,6])	109.7940	0.000	1	109.7740	0.002	3	109.4412	0.083	16	109.5769	0.637	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH)(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH)(O[6,6]C[3x6])(H){1|H<1>,2|O<2>,3|C<4>}	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2{2|H<1>,4|C<4>}	H(C[3x6]C[6,6]2O[6,6])	109.7260	0.000	1	109.7740	0.002	3	109.4412	0.083	16	109.5769	0.637	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH)(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH)(O[6,6]C[3x6])(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2{2|H<1>,4|C<4>}	H(C[3x6]C[6,6]2O[6,6])	109.8020	0.000	1	109.7740	0.002	3	109.4412	0.083	16	109.5769	0.637	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[4x6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[4x6])(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2{4|C<4>,4|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.1965	0.374	2	109.1965	0.140	2	109.4412	0.083	16	109.5769	0.637	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]C)(H)2	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]C)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.6580	0.098	2	109.6580	0.010	2	109.4412	0.083	16	109.5769	0.637	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(H)2	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HH)2(O[6,6]C[3x6])(H){1|H<1>,2|O<2>,3|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(H)2{4|C<4>,5|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.4995	0.235	2	109.4995	0.055	2	109.4412	0.083	16	109.5769	0.637	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(H)2	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HH)2(O[6,6]C[3x6])(H){1|H<1>,2|O<2>,3|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]H)2(H)2{2|C<4>,4|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.5235	0.216	2	109.5235	0.047	2	109.4412	0.083	16	109.5769	0.637	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)2(O[6,6]C[4x6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[4x6]2H)(H)2	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[4x6]HH)2(O[6,6]C[4x6])(H){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[4x6]2H)(H)2{4|C<4>,4|H<1>}	H(C[3x6]C[6,6]2O[6,6])	110.0060	2.147	3	110.0060	4.607	3	109.4427	2.240	6	109.5769	0.637	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)2(O[6,6]C[4x6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[4x6]3)(H)2	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[4x6]HH)2(O[6,6]C[4x6])(H){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[4x6]3)(H)2{4|H<1>,7|C<4>}	H(C[3x6]C[6,6]2O[6,6])	108.8793	0.202	3	108.8793	0.041	3	109.4427	2.240	6	109.5769	0.637	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[4x6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]HH)(H)2	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[4x6])(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]HH)(H)2{2|H<1>,3|C<4>}	H(C[3x6]C[6,6]2O[6,6])	109.1825	0.243	2	109.1825	0.059	2	109.7560	0.203	11	109.5769	0.637	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]HH)(H)2	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.6795	0.203	2	109.6795	0.041	2	109.7560	0.203	11	109.5769	0.637	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(O[6,6]C[6,6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.6100	0.000	1	109.6100	0.000	1	109.7560	0.203	11	109.5769	0.637	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]O[6,6]N[6a]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(H)2	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]O[6,6]N[6a]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[3x6]C[6,6]2O[6,6])	109.9970	0.423	6	109.9970	0.179	6	109.7560	0.203	11	109.5769	0.637	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH)(O[6,6]C[3x6])(H)	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(H)2	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH)(O[6,6]C[3x6])(H){1|H<1>,2|O<2>,3|C<4>}	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(H)2{1|C<3>,4|C<4>,4|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.7920	0.000	1	109.7882	0.007	5	109.7882	0.007	5	109.5769	0.637	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH)(O[6,6]C[3x6])(H)	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(H)2	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH)(O[6,6]C[3x6])(H){1|H<1>,2|O<2>,3|C<4>}	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(H)2{4|H<1>,5|C<4>}	H(C[3x6]C[6,6]2O[6,6])	109.7853	0.115	3	109.7882	0.007	5	109.7882	0.007	5	109.5769	0.637	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH)(O[6,6]C[3x6])(H)	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(H)2	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH)(O[6,6]C[3x6])(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(H)2{1|C<3>,4|C<4>,4|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.7930	0.000	1	109.7882	0.007	5	109.7882	0.007	5	109.5769	0.637	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3,3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[3,3x6]C[3,6,6]C[4x6]C[3])(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[3,3x6]O[6,6]H)(C[3x6]C[6,6]N[6,6]H)(OH)(H)	H(C[3x6]C[3,3x6]C[6,6]O[6,6])	C[3x6](C[3,3x6]C[3,6,6]C[4x6]C[3])(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|Br<1>,1|C<3>,1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3,3x6]O[6,6]H)(C[3x6]C[6,6]N[6,6]H)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[3x6]C[3,3x6]C[6,6]O[6,6])	109.6340	0.000	1	109.6340	0.000	1	109.6340	0.000	1	110.2408	0.681	298	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3,6,6]-4:C[6,6]-4:N[6,6]-2:H-1:	C[3x6]-4:C[5,6,6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[5,6,6]HO)(N[6,6]N[6,6])(H)	C[6,6](C[3x6]C[3,6,6]N[6,6]H)(C[5,6,6]C[5,3x6]N[5]H)(OH)(H)	H(C[3x6]C[3,6,6]C[6,6]N[6,6])	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[5,6,6]HO)(N[6,6]N[6,6])(H){1|C<4>,1|N<3>,2|H<1>}	C[6,6](C[3x6]C[3,6,6]N[6,6]H)(C[5,6,6]C[5,3x6]N[5]H)(OH)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,3|C<4>}	H(C[3x6]C[3,6,6]C[6,6]N[6,6])	111.1190	0.000	1	111.1190	0.000	1	111.1190	0.000	1	110.2408	0.681	298	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[6,6]N[6,6]H)(OH)(H)	H(C[3x6]C[3x6]C[6,6]O[6,6])	C[3x6](C[3x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[6,6]N[6,6]H)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	108.9865	0.018	2	108.9865	0.000	2	109.8054	0.150	16	110.2408	0.681	298	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OC)(H)	H(C[3x6]C[3x6]C[6,6]O[6,6])	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<3>,1|C<4>,1|S<3>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	109.8200	0.011	2	110.0004	0.046	10	109.8054	0.150	16	110.2408	0.681	298	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OC)(H)	H(C[3x6]C[3x6]C[6,6]O[6,6])	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	109.7720	0.191	2	110.0004	0.046	10	109.8054	0.150	16	110.2408	0.681	298	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OC)(H)	H(C[3x6]C[3x6]C[6,6]O[6,6])	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<4>,1|S<3>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	110.0700	0.049	2	110.0004	0.046	10	109.8054	0.150	16	110.2408	0.681	298	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OC)(H)	H(C[3x6]C[3x6]C[6,6]O[6,6])	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	110.1700	0.167	4	110.0004	0.046	10	109.8054	0.150	16	110.2408	0.681	298	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OH)(H)	H(C[3x6]C[3x6]C[6,6]O[6,6])	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OH)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	109.8275	0.223	2	109.8275	0.050	2	109.8054	0.150	16	110.2408	0.681	298	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OSi)(H)	H(C[3x6]C[3x6]C[6,6]O[6,6])	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OSi)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	109.6275	0.005	2	109.6275	0.000	2	109.8054	0.150	16	110.2408	0.681	298	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(OH)(H)	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(OH)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	109.8310	0.000	1	109.9862	0.014	4	109.9862	0.014	4	110.2408	0.681	298	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(OH)(H)	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	110.0380	0.071	3	109.9862	0.014	4	109.9862	0.014	4	110.2408	0.681	298	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(OH)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.5710	0.000	1	109.5710	0.000	1	110.2790	0.712	272	110.2408	0.681	298	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(OSi)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(OSi)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.6020	0.000	1	109.6020	0.000	1	110.2790	0.712	272	110.2408	0.681	298	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H){1|H<1>,2|O<2>,3|C<4>}	H(C[3x6]C[6,6]2O[6,6])	109.7180	0.000	1	109.7180	0.000	1	110.2790	0.712	272	110.2408	0.681	298	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H){1|H<1>,2|O<2>,3|C<4>}	H(C[3x6]C[6,6]2O[6,6])	109.3990	0.000	1	109.3990	0.000	1	110.2790	0.712	272	110.2408	0.681	298	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[6,6]O[6,6]O)(OSi)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|H<1>,2|C<4>,3|O<2>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[6,6]O[6,6]O)(OSi)(H){2|C<4>,4|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.1182	0.092	4	109.1182	0.008	4	110.2790	0.712	272	110.2408	0.681	298	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H){1|N<3>,1|N<4>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.9070	0.243	2	109.7775	0.048	4	110.2790	0.712	272	110.2408	0.681	298	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H){2|C<4>,2|H<1>,2|N<3>}	H(C[3x6]C[6,6]2O[6,6])	109.6480	0.133	2	109.7775	0.048	4	110.2790	0.712	272	110.2408	0.681	298	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H){1|H<1>,2|O<2>,3|C<4>}	H(C[3x6]C[6,6]2O[6,6])	109.8450	0.000	1	110.2141	0.608	149	110.2790	0.712	272	110.2408	0.681	298	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]C[6,6]2O[6,6])	109.9155	0.124	4	110.2141	0.608	149	110.2790	0.712	272	110.2408	0.681	298	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]C[6,6]2O[6,6])	110.2501	0.829	128	110.2141	0.608	149	110.2790	0.712	272	110.2408	0.681	298	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]C[6,6]2O[6,6])	110.0243	0.304	16	110.2141	0.608	149	110.2790	0.712	272	110.2408	0.681	298	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H){1|H<1>,2|O<2>,3|C<4>}	H(C[3x6]C[6,6]2O[6,6])	109.8540	0.000	1	110.5067	0.980	83	110.2790	0.712	272	110.2408	0.681	298	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]C[6,6]2O[6,6])	111.4883	0.584	12	110.5067	0.980	83	110.2790	0.712	272	110.2408	0.681	298	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]C[6,6]2O[6,6])	110.3478	0.954	70	110.5067	0.980	83	110.2790	0.712	272	110.2408	0.681	298	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OS)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OS)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]C[6,6]2O[6,6])	109.7500	0.100	2	110.1130	0.065	22	110.2790	0.712	272	110.2408	0.681	298	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OS)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OS)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]C[6,6]2O[6,6])	110.1250	0.174	12	110.1130	0.065	22	110.2790	0.712	272	110.2408	0.681	298	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OS)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OS)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]C[6,6]2O[6,6])	110.1857	0.320	8	110.1130	0.065	22	110.2790	0.712	272	110.2408	0.681	298	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]P[3x6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]P[3x6])(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H){1|C<4>,1|P<4>,2|H<1>,2|O<2>}	H(C[3x6]C[6,6]2O[6,6])	110.9270	0.975	6	110.9270	0.950	6	110.2790	0.712	272	110.2408	0.681	298	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HO)(O[6,6]C[5,6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]CH)(OH)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HO)(O[6,6]C[5,6,6])(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]CH)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[3x6]C[6,6]2O[6,6])	109.3635	0.008	2	109.3635	0.000	2	109.5730	0.131	4	110.2408	0.681	298	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]HH)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HS)(OC)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]HH)(O[6,6]C[6,6])(H){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HS)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.4530	0.000	1	109.4530	0.000	1	109.5730	0.131	4	110.2408	0.681	298	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]HS)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(OC)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]HS)(O[6,6]C[6,6])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(OC)(H){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	H(C[3x6]C[6,6]2O[6,6])	110.1120	0.000	1	110.1120	0.000	1	109.5730	0.131	4	110.2408	0.681	298	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[5,6,6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]CH)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(COO)(H)	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]CH)(O[6,6]C[6,6])(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(COO)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	109.7940	0.014	2	109.7940	0.000	2	109.7940	0.000	2	109.6635	0.021	10	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]O[6,6]H)(CC[6]H)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]O[6,6]H)(CC[6]H)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.5700	0.000	1	109.5700	0.000	1	109.5700	0.000	1	109.6635	0.021	10	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCC)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCC)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.6735	0.148	2	109.7213	0.018	3	109.6508	0.029	5	109.6635	0.021	10	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCC)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCC)(H){1|N<4>,1|O<2>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.8170	0.000	1	109.7213	0.018	3	109.6508	0.029	5	109.6635	0.021	10	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HN)2(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCC)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HN)2(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCC)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.3950	0.000	1	109.5450	0.045	2	109.6508	0.029	5	109.6635	0.021	10	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HN)2(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCC)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HN)2(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCC)(H){1|N<4>,1|O<2>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.6950	0.000	1	109.5450	0.045	2	109.6508	0.029	5	109.6635	0.021	10	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:O-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OZn2)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OZn2)(H){2|C<4>,2|H<1>,2|N<4>}	H(C[3x6]C[6,6]2O[6,6])	109.6115	0.162	2	109.6115	0.026	2	109.6115	0.026	2	109.6635	0.021	10	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:3:2:	4:	C[5,3x6]-4:C[6,6]-4:O[6]-2:H-1:	C[3x6]-4:C[6]-4:C[6]-3:O-2:	C[3x6]-4:	C[3x6](C[5,3x6]C[6,6a]C[5,6]O[5,6])(C[6,6]C[6]2O)(O[6]C[6])(H)	C[6,6](C[3x6]C[5,3x6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6]O)(OH)	H(C[3x6]C[5,3x6]C[6,6]O[6])	C[3x6](C[5,3x6]C[6,6a]C[5,6]O[5,6])(C[6,6]C[6]2O)(O[6]C[6])(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6,6](C[3x6]C[5,3x6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6]O)(OH){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]C[5,3x6]C[6,6]O[6])	109.2180	0.000	1	109.2180	0.000	1	109.2180	0.000	1	109.2180	0.000	1	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[3x6]-4:O[6]-2:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6]H)(C[3x6]C[6]3)(O[6]C[6])(H)	C[6,6](C[3x6]C[3x6]O[6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[3x6]C[3x6]C[6,6]O[6])	C[3x6](C[6,6]C[6,6]C[6]H)(C[3x6]C[6]3)(O[6]C[6])(H){10|H<1>,1|N<3>,1|O<2>,3|C<4>}	C[6,6](C[3x6]C[3x6]O[6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){4|H<1>,6|C<4>}	H(C[3x6]C[3x6]C[6,6]O[6])	108.4635	0.046	2	108.4635	0.002	2	108.4635	0.002	2	109.0105	0.296	27	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]O[6,6]H)(CC[6]HH)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]O[6,6]H)(CC[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.5470	0.000	1	109.5470	0.000	1	109.0778	0.082	5	109.0105	0.296	27	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[3x6]C[6]O[6])(C[3x6]C[6,6]O[6,6]H)(CH3)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H){1|C<3>,1|C<4>,1|O<2>,2|O<1>}	C[6,6](C[3x6]C[3x6]C[6]O[6])(C[3x6]C[6,6]O[6,6]H)(CH3)(H){1|H<1>,3|C<3>,4|C<4>}	H(C[3x6]C[6,6]2O[6,6])	109.1450	0.000	1	108.9940	0.046	2	109.0778	0.082	5	109.0105	0.296	27	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[3x6]C[6]O[6])(C[3x6]C[6,6]O[6,6]H)(CH3)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H){1|O<2>,2|C<4>,2|O<1>}	C[6,6](C[3x6]C[3x6]C[6]O[6])(C[3x6]C[6,6]O[6,6]H)(CH3)(H){2|C<3>,2|H<1>,5|C<4>}	H(C[3x6]C[6,6]2O[6,6])	108.8430	0.000	1	108.9940	0.046	2	109.0778	0.082	5	109.0105	0.296	27	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CH)2(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[6,6]O[6,6]O)(CH3)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]CH)2(O[6,6]C[3x6])(H){3|C<4>,3|O<2>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[6,6]O[6,6]O)(CH3)(H){2|H<1>,4|C<4>}	H(C[3x6]C[6,6]2O[6,6])	108.8920	0.000	1	108.8920	0.000	1	109.0778	0.082	5	109.0105	0.296	27	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CH)2(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]O[6,6]2C)(CH3)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]CH)2(O[6,6]C[3x6])(H){3|C<4>,3|O<2>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]O[6,6]2C)(CH3)(H){1|H<1>,3|C<4>}	H(C[3x6]C[6,6]2O[6,6])	108.9620	0.000	1	108.9620	0.000	1	109.0778	0.082	5	109.0105	0.296	27	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:N-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCCH)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCCH)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]2O[6,6])	110.0620	0.000	1	110.0620	0.000	1	108.9762	0.378	17	109.0105	0.296	27	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:N-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NZnCH)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NZnCH)(H){1|N<4>,1|O<3>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.6185	0.190	2	109.6185	0.036	2	108.9762	0.378	17	109.0105	0.296	27	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:N-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HN)2(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCCH)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HN)2(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCCH)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.6230	0.000	1	109.6230	0.000	1	108.9762	0.378	17	109.0105	0.296	27	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:N-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HN)2(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NZnCH)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HN)2(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NZnCH)(H){1|N<4>,1|O<3>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.8145	0.062	2	109.8145	0.004	2	108.9762	0.378	17	109.0105	0.296	27	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:N-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HN)2(O[6,6]Ge[6x6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NH3)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HN)2(O[6,6]Ge[6x6])(H){1|C<4>,2|H<1>,5|O<2>}	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NH3)(H){1|Ge<6>,1|C<4>,2|H<1>,2|N<4>}	H(C[3x6]C[6,6]2O[6,6])	108.5495	0.135	11	108.5495	0.018	11	108.9762	0.378	17	109.0105	0.296	27	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HO)(O[6,6]C[5,6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]HH)(CH3)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HO)(O[6,6]C[5,6,6])(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[3x6]C[6,6]2O[6,6])	109.3550	0.081	2	109.3550	0.006	2	109.3550	0.006	2	109.0105	0.296	27	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:S-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HS)(C[6,6]O[6,6]HO)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(SC[6a]OO)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HS)(C[6,6]O[6,6]HO)(O[6,6]C[6,6])(H){1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(SC[6a]OO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[3x6]C[6,6]2O[6,6])	109.6610	0.000	1	109.6610	0.000	1	109.6610	0.000	1	109.0105	0.296	27	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:C-4:O-2:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(CH3)(OH)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]O[6,6]H)2(CH3)(OH){2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]C[6,6]2O[6,6])	109.6265	0.159	2	109.6265	0.025	2	109.6265	0.025	2	109.6265	0.025	2	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(CH3)2	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(CH3)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]2O[6,6])	108.8760	0.000	1	108.8760	0.000	1	108.8760	0.000	1	108.8760	0.000	1	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	3:4:3:1:	4:	C[6,6]-4:C[3x6]-4:C[6]-3:H-1:	C[6,6a]-3:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6a]C[6,6]H)(C[3x6]C[6]O[6]2)(C[6]C[6]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(H)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[6,6]C[6,6a]C[6,6]H)(C[3x6]C[6]O[6]2)(C[6]C[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.4455	0.573	2	107.4455	0.329	2	107.4455	0.329	2	109.5409	2.112	8	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	N[6,6]-3:C[3x6]-4:C[6a]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]N)(H)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]N)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,5|C<3>,5|H<1>}	H(C[3x6]C[6,6]3)	110.4943	0.287	3	110.4943	0.083	3	110.2393	0.550	6	109.5409	2.112	8	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	N[6,6]-3:C[3x6]-4:C[6a]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,5|C<3>,5|H<1>}	H(C[3x6]C[6,6]3)	110.5540	0.000	1	109.9843	1.096	3	110.2393	0.550	6	109.5409	2.112	8	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	N[6,6]-3:C[3x6]-4:C[6a]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	H(C[3x6]C[6,6]3)	110.6230	0.000	1	109.9843	1.096	3	110.2393	0.550	6	109.5409	2.112	8	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	N[6,6]-3:C[3x6]-4:C[6a]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	H(C[3x6]C[6,6]3)	108.7760	0.000	1	109.9843	1.096	3	110.2393	0.550	6	109.5409	2.112	8	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5a]-3:C[3x6]-4:C[6,6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[5a]C[5a,6a]C[5a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5a]C[5a,6a]C[5a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	110.8270	0.000	1	110.8270	0.000	1	110.8270	0.000	1	110.8270	0.000	1	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	3:4:4:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:C-4:O-2:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	C[6,6](C[6,6]C[5,4x6]O)(C[3x6]C[6,6]2H)(CH3)(OC)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6,6](C[6,6]C[5,4x6]O)(C[3x6]C[6,6]2H)(CH3)(OC){1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	111.3390	0.000	1	111.3390	0.000	1	111.3390	0.000	1	111.3390	0.000	1	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:2:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]O[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]O[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.4600	0.000	1	111.4600	0.000	1	111.4600	0.000	1	111.4600	0.000	1	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]3)	111.3160	0.000	1	111.1780	0.038	2	111.1781	0.025	9	110.9188	0.222	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]3)	111.0400	0.000	1	111.1780	0.038	2	111.1781	0.025	9	110.9188	0.222	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2{1|C<3>,1|N<3>,4|H<1>}	H(C[3x6]C[6,6]3)	111.2010	0.190	2	111.2010	0.036	2	111.1781	0.025	9	110.9188	0.222	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(H){1|C<4>,1|O<1>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]3)	111.3460	0.049	2	111.1690	0.031	5	111.1781	0.025	9	110.9188	0.222	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(H){1|C<4>,1|O<1>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]3)	111.0960	0.057	2	111.1690	0.031	5	111.1781	0.025	9	110.9188	0.222	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(H){1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]3)	110.9610	0.000	1	111.1690	0.031	5	111.1781	0.025	9	110.9188	0.222	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[6,6]3)	110.5250	0.000	1	110.5250	0.000	1	110.8286	0.178	5	110.9188	0.222	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	110.2890	0.000	1	110.2890	0.000	1	110.8286	0.178	5	110.9188	0.222	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{2|C<3>,4|H<1>}	H(C[3x6]C[6,6]3)	111.2025	0.197	2	111.1097	0.045	3	110.8286	0.178	5	110.9188	0.222	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.9240	0.000	1	111.1097	0.045	3	110.8286	0.178	5	110.9188	0.222	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(H)2	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]2N[6,6])	109.9150	0.000	1	109.9150	0.000	1	109.9775	0.008	2	110.9188	0.222	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]N[6,6]HH)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(H)2	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]N[6,6]HH)(N[6,6]C[6,6]C)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]2N[6,6])	110.0400	0.000	1	110.0400	0.000	1	109.9775	0.008	2	110.9188	0.222	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:2:2:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(OC)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(OC)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	110.9100	0.000	1	110.9100	0.000	1	110.9100	0.000	1	111.1600	0.024	9	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:2:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(OC)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(H){1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(OC)2{1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	111.2097	0.101	3	111.2097	0.010	3	111.1912	0.017	8	111.1600	0.024	9	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:2:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(OC)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(OC)2{1|C<4>,2|H<1>,3|C<3>}	H(C[3x6]C[6,6]3)	110.9560	0.000	1	110.9560	0.000	1	111.1912	0.017	8	111.1600	0.024	9	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:2:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(OC)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(OC)2{1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	111.1883	0.064	3	111.1883	0.004	3	111.1912	0.017	8	111.1600	0.024	9	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:2:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]Br)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(OC)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]Br)(H){1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(OC)2{1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	111.3800	0.000	1	111.3800	0.000	1	111.1912	0.017	8	111.1600	0.024	9	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:C[6a]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]H)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.6200	0.000	1	111.6200	0.000	1	111.6200	0.000	1	110.9308	0.087	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(COO)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(COO)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	111.1650	0.024	2	111.1650	0.001	2	111.1650	0.001	2	110.9308	0.087	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:N[3x6]-3:C[6a]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]N[3x6]C[6a]H)(C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]N[3x6]C[6a]H)(C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|C<3>,7|H<1>}	H(C[3x6]C[6,6]3)	110.5435	0.407	2	110.5435	0.165	2	110.8668	0.050	10	110.9308	0.087	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:N[3x6]-3:C[6a]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]O)(H){1|H<1>,3|C<4>,4|C<3>}	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,6|H<1>}	H(C[3x6]C[6,6]3)	110.9476	0.053	8	110.9476	0.003	8	110.8668	0.050	10	110.9308	0.087	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:C[6a]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H){1|C<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[3x6]C[6,6]3)	111.0470	0.000	1	111.0470	0.000	1	110.7580	0.068	3	110.9308	0.087	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:C[6a]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]S)(C[6a]C[6a]2)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]S)(C[6a]C[6a]2)(H){1|C<4>,3|C<3>,6|H<1>}	H(C[3x6]C[6,6]3)	110.6840	0.000	1	110.6840	0.000	1	110.7580	0.068	3	110.9308	0.087	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:C[6a]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	H(C[3x6]C[6,6]3)	110.5430	0.000	1	110.5430	0.000	1	110.7580	0.068	3	110.9308	0.087	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]O)(CH3)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]O)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]O)(CH3){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[3x6]C[6,6]3)	110.4850	0.000	1	110.4850	0.000	1	110.4850	0.000	1	110.4850	0.000	1	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:F-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CF)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CC[6a]HH)(F)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CF)(C[6,6]C[6,6]H)(H){1|F<1>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CC[6a]HH)(F){1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	111.1740	0.000	1	111.1740	0.000	1	111.1740	0.000	1	109.8949	1.599	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6a]-3:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6]O[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6]O[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,2|H<1>,2|O<2>,5|C<3>}	H(C[3x6]C[5,6,6]C[6,6]2)	107.6900	0.000	1	107.6900	0.000	1	107.6900	0.000	1	109.8949	1.599	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:C-4:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C)(CC[6a]HH)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C)(CC[6a]HH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.4465	0.038	4	111.4465	0.001	4	111.4465	0.001	4	109.8949	1.599	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CH)(C[6,6]C[3x6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CH3)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CH)(C[6,6]C[3x6]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]3)	110.3770	0.000	1	110.3770	0.000	1	110.3770	0.000	1	109.8949	1.599	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(CH3)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(CH3)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.8390	0.000	1	110.8390	0.000	1	110.8390	0.000	1	109.8949	1.599	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[5a]-3:C[6,6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){1|C<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[3x6]C[6,6]2N[6,6])	109.2110	0.007	2	109.0566	0.159	8	109.0566	0.159	8	109.8949	1.599	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[5a]-3:C[6,6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){2|C<3>,2|H<1>,6|C<4>}	H(C[3x6]C[6,6]2N[6,6])	108.8480	0.074	3	109.0566	0.159	8	109.0566	0.159	8	109.8949	1.599	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[5a]-3:C[6,6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){2|C<3>,3|H<1>,5|C<4>}	H(C[3x6]C[6,6]2N[6,6])	108.8230	0.000	1	109.0566	0.159	8	109.0566	0.159	8	109.8949	1.599	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[5a]-3:C[6,6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){3|C<3>,3|C<4>,4|H<1>}	H(C[3x6]C[6,6]2N[6,6])	109.9300	0.000	1	109.0566	0.159	8	109.0566	0.159	8	109.8949	1.599	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[5a]-3:C[6,6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){3|C<3>,3|H<1>,4|C<4>}	H(C[3x6]C[6,6]2N[6,6])	108.7340	0.000	1	109.0566	0.159	8	109.0566	0.159	8	109.8949	1.599	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:2:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OH)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OH){1|C<3>,1|H<1>,4|C<4>}	H(C[3x6]C[3x6]C[6,6]2)	110.3580	0.000	1	110.3580	0.000	1	110.1010	1.870	6	109.8908	3.096	13	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:2:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CCCH)(OH)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CCCH)(OH){1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	110.3640	0.028	2	110.3640	0.001	2	110.1010	1.870	6	109.8908	3.096	13	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:2:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OC)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OC){1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	111.1370	0.000	1	111.1370	0.000	1	110.1010	1.870	6	109.8908	3.096	13	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:2:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OH)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OH){1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	107.4000	0.000	1	107.4000	0.000	1	110.1010	1.870	6	109.8908	3.096	13	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:2:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CHHO)(OH)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CHHO)(OH){1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	110.9830	0.000	1	110.9830	0.000	1	110.1010	1.870	6	109.8908	3.096	13	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:2:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OH)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	109.3200	0.000	1	109.3200	0.000	1	109.3200	0.000	1	109.8908	3.096	13	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CH3)(OC)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CH3)(OC){1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	111.1410	0.239	2	111.1753	0.024	4	109.7758	5.426	6	109.8908	3.096	13	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CH3)(OC)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CH3)(OC){1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	111.2095	0.098	2	111.1753	0.024	4	109.7758	5.426	6	109.8908	3.096	13	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CO)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CClHH)(OH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CO)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CClHH)(OH){1|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]3)	108.3110	0.000	1	106.9770	3.559	2	109.7758	5.426	6	109.8908	3.096	13	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CO)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CClHH)(OH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CO)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CClHH)(OH){1|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]3)	105.6430	0.000	1	106.9770	3.559	2	109.7758	5.426	6	109.8908	3.096	13	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:3:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO){2|C<3>,3|H<1>,5|C<4>}	H(C[3x6]C[6,6]2N[6,6])	109.3690	0.033	2	109.3107	0.011	3	109.3107	0.011	3	109.7900	0.448	5	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:3:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO){2|C<3>,3|H<1>,5|C<4>}	H(C[3x6]C[6,6]2N[6,6])	109.1940	0.000	1	109.3107	0.011	3	109.3107	0.011	3	109.7900	0.448	5	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:3:	4:	C[6,6]-4:N[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]C)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[5a]C)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO){3|C<3>,3|H<1>,4|C<4>}	H(C[3x6]C[6,6]2N[6,6])	110.5090	0.219	2	110.5090	0.048	2	110.5090	0.048	2	109.7900	0.448	5	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(CHHO)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(CHHO){2|C<3>,3|H<1>,5|C<4>}	H(C[3x6]C[6,6]2N[6,6])	109.4760	0.000	1	109.4760	0.000	1	109.4760	0.000	1	109.4760	0.000	1	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[4x6]C[6,6]H)(H)2	H(C[3x6]C[3,6,6]C[6,6]2)	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[4x6]C[6,6]H)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[3x6]C[3,6,6]C[6,6]2)	111.6950	0.037	2	111.6950	0.001	2	111.8357	0.060	3	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2	H(C[3x6]C[3,6,6]C[6,6]2)	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(H){1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[3,6,6]C[6,6]2)	112.1170	0.000	1	112.1170	0.000	1	111.8357	0.060	3	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3,6,6]C[3,3x6]O[3]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[5,4x6]C[5]H)(H)2	H(C[3x6]C[3,6,6]C[6,6]2)	C[3x6](C[3,6,6]C[3,3x6]O[3]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[5,4x6]C[5]H)(H)2{1|H<1>,1|O<1>,3|O<2>,4|C<4>}	H(C[3x6]C[3,6,6]C[6,6]2)	111.7330	0.375	2	111.7330	0.140	2	111.7330	0.140	2	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[3,6,6]C[6,6]2)	C[3x6](C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[3,6,6]C[6,6]2)	111.6930	0.113	4	111.6930	0.013	4	111.6930	0.013	4	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,4x6]H)(C[3x6]C[3,6,6]C[6,6]H)(H)2	H(C[3x6]C[3,6,6]C[6,6]2)	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(H){1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,4x6]H)(C[3x6]C[3,6,6]C[6,6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	H(C[3x6]C[3,6,6]C[6,6]2)	111.7785	0.112	2	111.6153	0.086	3	111.6153	0.086	3	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,4x6]H)(C[3x6]C[3,6,6]C[6,6]H)(H)2	H(C[3x6]C[3,6,6]C[6,6]2)	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(H){2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,4x6]H)(C[3x6]C[3,6,6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|O<2>,6|C<4>}	H(C[3x6]C[3,6,6]C[6,6]2)	111.2890	0.000	1	111.6153	0.086	3	111.6153	0.086	3	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	111.1390	0.058	2	111.0063	0.054	3	111.0382	0.076	22	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	110.7410	0.000	1	111.0063	0.054	3	111.0382	0.076	22	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Br)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Br)(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	111.7610	0.000	1	111.7610	0.000	1	111.0382	0.076	22	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	111.6170	0.000	1	111.6170	0.000	1	111.0382	0.076	22	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	111.0334	0.105	8	111.0390	0.013	12	111.0382	0.076	22	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	110.9715	0.056	2	111.0390	0.013	12	111.0382	0.076	22	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	111.2630	0.000	1	111.0390	0.013	12	111.0382	0.076	22	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	110.9950	0.000	1	111.0390	0.013	12	111.0382	0.076	22	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]C[5a]C)(H)2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(H){2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]C[5a]C)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	H(C[3x6]C[3x6]C[6,6]2)	110.7740	0.000	1	110.7740	0.000	1	111.0382	0.076	22	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]O[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]O[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	110.7500	0.141	2	110.7500	0.020	2	111.0382	0.076	22	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	111.1390	0.000	1	111.1390	0.000	1	111.0382	0.076	22	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[5,5,6]C[3x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[5,5,6]C[3x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	110.5620	0.000	1	110.5620	0.000	1	111.0382	0.076	22	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[4,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4,3x6]C[4,3x6]C[3,4]C[6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[4,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[4,3x6]C[6,6]2)	C[3x6](C[4,3x6]C[4,3x6]C[3,4]C[6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[4,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[4,3x6]C[6,6]2)	111.1180	0.052	2	111.1180	0.003	2	111.1180	0.003	2	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[4,5,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[4,5,3x6]C[6,6]2)	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[4,5,3x6]C[6,6]2)	109.7165	0.155	2	109.7165	0.024	2	110.8204	1.034	5	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[4,5,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2	H(C[3x6]C[4,5,3x6]C[6,6]2)	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[3x6]C[4,5,3x6]C[6,6]2)	111.5563	0.157	3	111.5563	0.025	3	110.8204	1.034	5	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[4,6,6]C[6,6]2)	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[4,6,6]C[6,6]2)	110.6190	0.000	1	110.6190	0.000	1	110.6190	0.000	1	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[4x6]C[6,6]2)	111.1133	0.061	6	111.1133	0.004	6	111.1133	0.004	6	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]O)(H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[3x6]C[4x6]C[6,6]C[6])	107.0130	0.000	1	107.0130	0.000	1	107.0130	0.000	1	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[5,3x6]C[6,6]2)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|Br<1>,1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[5,3x6]C[6,6]2)	111.3910	0.000	1	111.3910	0.000	1	111.2305	0.052	2	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[4x5,6,6]C[6,6]O[5,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[5,3x6]C[6,6]2)	C[3x6](C[5,3x6]C[4x5,6,6]C[6,6]O[5,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[3x6]C[5,3x6]C[6,6]2)	111.0700	0.000	1	111.0700	0.000	1	111.2305	0.052	2	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,6,6]N[5,6]O[6])(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6,6](C[3x6]C[5,3x6]N[6,6]H)(C[6,6]C[6]2H)(H)2	H(C[3x6]C[5,3x6]C[6,6]N[6,6])	C[3x6](C[5,3x6]C[5,6,6]N[5,6]O[6])(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H){2|C<4>,5|C<3>,5|H<1>}	C[6,6](C[3x6]C[5,3x6]N[6,6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	H(C[3x6]C[5,3x6]C[6,6]N[6,6])	108.2860	0.000	1	108.2860	0.000	1	108.2860	0.000	1	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,5,6,6]C[5,5,6]N[5,6]O[5])(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6,6](C[3x6]C[5,5,6,6]N[6,6]H)(C[6,6]C[6]2H)(H)2	H(C[3x6]C[5,5,6,6]C[6,6]N[6,6])	C[3x6](C[5,5,6,6]C[5,5,6]N[5,6]O[5])(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H){2|C<4>,5|C<3>,5|H<1>}	C[6,6](C[3x6]C[5,5,6,6]N[6,6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	H(C[3x6]C[5,5,6,6]C[6,6]N[6,6])	107.7330	0.000	1	107.7330	0.000	1	107.7330	0.000	1	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[4x6]C[6,6]H)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[4x6]C[6,6]H)(H)2{1|H<1>,2|C<3>,6|C<4>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.0490	0.191	2	111.0930	0.015	4	111.2493	0.047	8	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[4x6]C[6,6]H)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[4x6]C[6,6]H)(H)2{1|H<1>,2|C<3>,6|C<4>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.1370	0.047	2	111.0930	0.015	4	111.2493	0.047	8	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(H){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.4055	0.169	4	111.4055	0.028	4	111.2493	0.047	8	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.1073	0.162	3	111.0213	0.047	4	111.0213	0.047	4	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	110.7630	0.000	1	111.0213	0.047	4	111.0213	0.047	4	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	110.9570	0.034	2	110.9570	0.001	2	110.9136	0.414	22	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]C)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]C)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[3x6]C[5,6,6]C[6,6]2)	109.1290	0.000	1	109.1290	0.000	1	110.9136	0.414	22	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	110.9730	0.000	1	110.9730	0.000	1	110.9136	0.414	22	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]BrH)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]BrH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	110.8375	0.110	2	110.7983	0.011	3	110.9136	0.414	22	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]BrH)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]BrH)(H)2{1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	110.7200	0.000	1	110.7983	0.011	3	110.9136	0.414	22	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.0080	0.000	1	111.3152	0.040	6	110.9136	0.414	22	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.6110	0.000	1	111.3152	0.040	6	110.9136	0.414	22	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.3570	0.010	2	111.3152	0.040	6	110.9136	0.414	22	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.2790	0.107	2	111.3152	0.040	6	110.9136	0.414	22	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.5190	0.000	1	111.5190	0.000	1	110.9136	0.414	22	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(H){1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	110.6280	0.000	1	110.6280	0.000	1	110.9136	0.414	22	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.0820	0.000	1	111.0820	0.000	1	110.9136	0.414	22	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<2>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[3x6]C[5,6,6]C[6,6]2)	109.9220	0.000	1	110.2605	0.229	2	110.9136	0.414	22	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[3x6]C[5,6,6]C[6,6]2)	110.5990	0.000	1	110.2605	0.229	2	110.9136	0.414	22	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[6,6]O[5]2)(C[6,6]C[6,6]HH)(C[6,6]C[3x6]Br)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CH)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[6,6]O[5]2)(C[6,6]C[6,6]HH)(C[6,6]C[3x6]Br)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|O<2>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.8800	0.000	1	111.8800	0.000	1	110.9136	0.414	22	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]N[5,6,6]C[5]C)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]ClC)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]N[5,6,6]C[5]C)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]ClC)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.1170	0.000	1	111.1170	0.000	1	110.9136	0.414	22	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]N[5,6,6]O[5]C)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]N[5,6,6]O[5]C)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	H(C[3x6]C[5,6,6]C[6,6]2)	110.5255	1.199	2	110.5255	1.437	2	110.9136	0.414	22	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(C[6,6]C[6]2H)(H)2	H(C[3x6]C[5,6,6]C[6,6]N[6,6])	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H){3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(C[6,6]C[6]2H)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[5,6,6]C[6,6]N[6,6])	109.6950	0.000	1	109.6950	0.000	1	109.6950	0.000	1	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[4x6]-4:C[6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[4x6]C[6,6]3)(C[6]O[6]O)(H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[6,6]C[3x6]HH)(C[4x6]C[6,6]3)(C[6]O[6]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[3x6]C[4x6]C[6,6]C[6])	107.7150	2.843	2	107.0197	5.491	3	107.0197	5.491	3	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[4x6]-4:C[6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[4x6]C[6,6]3)(C[6]O[6]O)(H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[6,6]C[3x6]HH)(C[4x6]C[6,6]3)(C[6]O[6]O)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[3x6]C[4x6]C[6,6]C[6])	105.6290	0.000	1	107.0197	5.491	3	107.0197	5.491	3	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[3x6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[3x6]C[3x6]2)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[6,6]C[6,6]HH)2(C[3x6]C[3x6]2)(H){1|C<3>,1|S<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	110.6050	0.048	2	110.6050	0.002	2	110.6050	0.002	2	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|N<3>,2|C<3>,3|C<4>}	H(C[3x6]C[6,6]3)	110.6780	0.000	1	110.5880	0.053	3	110.4336	0.309	88	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(C[3x6]C[6,6]3)	110.7590	0.000	1	110.5880	0.053	3	110.4336	0.309	88	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H){1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|N<3>,2|C<3>,3|C<4>}	H(C[3x6]C[6,6]3)	110.3270	0.000	1	110.5880	0.053	3	110.4336	0.309	88	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(H){4|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|O<1>,3|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	110.0560	0.000	1	110.0560	0.000	1	110.4336	0.309	88	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(C[6,6]C[3x6]H)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|O<2>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.6490	0.000	1	109.6490	0.000	1	110.4336	0.309	88	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,2|C<3>,6|C<4>}	H(C[3x6]C[6,6]3)	110.5750	0.223	3	110.5330	0.040	4	110.4336	0.309	88	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,7|C<4>}	H(C[3x6]C[6,6]3)	110.4070	0.000	1	110.5330	0.040	4	110.4336	0.309	88	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[3x6]C[6,6]3)	111.1565	0.298	2	111.1448	0.032	4	110.4336	0.309	88	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[3x6]C[6,6]3)	111.1330	0.079	2	111.1448	0.032	4	110.4336	0.309	88	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]O)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|O<1>,1|O<2>,7|C<4>}	H(C[3x6]C[6,6]3)	110.6135	0.169	2	110.6135	0.029	2	110.4336	0.309	88	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[3x6]C[4x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[4x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|H<1>,6|C<4>}	H(C[3x6]C[6,6]3)	110.2740	0.000	1	110.2740	0.000	1	110.4336	0.309	88	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[4x6]C[5,6]C)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[4x6]C[5,6]C)(C[3x6]C[6,6]2H)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[3x6]C[6,6]3)	110.5590	0.000	1	110.5590	0.000	1	110.4336	0.309	88	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|H<1>,6|C<4>}	H(C[3x6]C[6,6]3)	110.5935	0.163	2	110.5501	0.097	8	110.4336	0.309	88	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|H<1>,5|C<4>}	H(C[3x6]C[6,6]3)	111.0800	0.000	1	110.5501	0.097	8	110.4336	0.309	88	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|H<1>,5|C<4>}	H(C[3x6]C[6,6]3)	110.2250	0.000	1	110.5501	0.097	8	110.4336	0.309	88	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|H<1>,6|C<4>}	H(C[3x6]C[6,6]3)	110.3300	0.000	1	110.5501	0.097	8	110.4336	0.309	88	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|H<1>,6|C<4>}	H(C[3x6]C[6,6]3)	110.5263	0.328	3	110.5501	0.097	8	110.4336	0.309	88	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[3x6]C[6,6]3)	111.3300	0.000	1	110.9510	0.492	5	110.4336	0.309	88	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[3x6]C[6,6]3)	110.6800	0.000	1	110.9510	0.492	5	110.4336	0.309	88	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,4|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.6180	0.000	1	110.9510	0.492	5	110.4336	0.309	88	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,4|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.1650	0.000	1	110.9510	0.492	5	110.4336	0.309	88	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	111.9620	0.000	1	110.9510	0.492	5	110.4336	0.309	88	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[4x6]O[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[4x6]O[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[3x6]C[6,6]3)	111.3150	0.000	1	111.3150	0.000	1	110.4336	0.309	88	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|O<1>,4|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.6900	0.000	1	110.6900	0.000	1	110.4336	0.309	88	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(H){1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]C[6,6]3)	111.1643	0.093	3	111.1643	0.009	3	110.4336	0.309	88	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]C)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	110.1231	0.462	24	110.1231	0.213	24	110.4336	0.309	88	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]Fe)(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]Fe)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Fe<5>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	110.1920	0.193	4	110.1920	0.037	4	110.4336	0.309	88	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	111.2560	0.281	2	111.2560	0.079	2	110.4336	0.309	88	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	111.2420	0.314	2	110.7730	0.330	4	110.4336	0.309	88	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]H)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|O<2>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	110.3830	0.000	1	110.7730	0.330	4	110.4336	0.309	88	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]H)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	110.2250	0.000	1	110.7730	0.330	4	110.4336	0.309	88	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]Mn)(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]Mn)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Mn<8>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.3187	0.097	3	109.3187	0.009	3	110.4336	0.309	88	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]N)(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]N)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|N<2>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	110.3105	0.179	4	110.3640	0.062	8	110.4336	0.309	88	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]N)(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]N)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|N<3>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	110.4175	0.324	4	110.3640	0.062	8	110.4336	0.309	88	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]O)(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]O)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|O<1>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	110.3390	0.000	1	110.3390	0.000	1	110.4336	0.309	88	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]Ru)(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]Ru)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Ru<6>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.7360	0.032	3	109.7360	0.001	3	110.4336	0.309	88	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]O[6,6]O)(H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]O[6,6]O)(H){2|H<1>,3|C<4>}	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|O<1>,2|C<4>,2|O<2>,4|H<1>}	H(C[3x6]C[6,6]3)	110.9890	0.035	2	110.9890	0.001	2	110.4336	0.309	88	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]N[3x6]C[6a]H)(C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]N[3x6]C[6a]H)(C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[3x6]C[6,6]3)	110.7695	0.100	2	110.7695	0.010	2	110.4336	0.309	88	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]3)	110.5135	0.088	2	110.5094	0.049	5	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]3)	110.5067	0.307	3	110.5094	0.049	5	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]3)	110.6810	0.000	1	110.3909	0.053	7	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]3)	110.5250	0.000	1	110.3909	0.053	7	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]3)	110.4380	0.262	2	110.3909	0.053	7	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]3)	110.2180	0.163	3	110.3909	0.053	7	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[3x6]C[6,6]3)	111.2930	0.000	1	110.7515	0.586	2	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]3)	110.2100	0.000	1	110.7515	0.586	2	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]3)	110.6890	0.000	1	110.6890	0.000	1	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]3)	112.5440	0.676	2	112.5440	0.457	2	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	111.1580	0.000	1	111.1580	0.000	1	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,2|C<2>,2|C<3>}	H(C[3x6]C[6,6]3)	110.3470	0.000	1	110.3470	0.000	1	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]3)	110.4260	0.000	1	110.4783	0.016	3	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]3)	110.5045	0.168	2	110.4783	0.016	3	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]3)	110.8650	0.000	1	110.8650	0.000	1	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	111.3880	0.176	4	111.3880	0.031	4	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,2|S<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[3x6]C[6,6]3)	101.6491	13.296	2	101.6491	176.790	2	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|C<2>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|H<1>,2|C<2>,2|C<4>}	H(C[3x6]C[6,6]3)	109.6200	0.000	1	109.6200	0.000	1	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,2|C<2>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<2>}	H(C[3x6]C[6,6]3)	110.6910	0.000	1	110.6910	0.000	1	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{3|C<3>,3|H<1>}	H(C[3x6]C[6,6]3)	111.1580	0.089	2	111.4293	2.597	7	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[6,6]3)	112.4530	3.544	2	111.4293	2.597	7	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[6,6]3)	110.9277	0.086	3	111.4293	2.597	7	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<4>,2|C<2>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[3x6]C[6,6]3)	110.2780	0.154	4	110.2780	0.024	4	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(H){2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[3x6]C[6,6]3)	110.8270	0.000	1	110.8270	0.000	1	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CO)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CO)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(H)2{1|O<2>,2|C<3>,3|C<4>}	H(C[3x6]C[6,6]3)	109.8690	0.000	1	109.8690	0.000	1	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CO)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CO)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|O<2>,2|C<3>,3|C<4>}	H(C[3x6]C[6,6]3)	112.7650	0.000	1	112.7650	0.000	1	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[3x6]C[6,6]3)	110.9530	0.000	1	110.9530	0.000	1	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[3x6]C[6,6]3)	111.7780	0.000	1	111.7780	0.000	1	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,2|C<2>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[3x6]C[6,6]3)	110.7330	0.000	1	110.7330	0.000	1	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]3)	110.3870	0.000	1	110.3870	0.000	1	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]3)	110.7560	0.000	1	110.7560	0.000	1	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HW)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HW)(C[6,6]C[6,6]O)(H){1|C<2>,1|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|W<7>,2|O<2>}	H(C[3x6]C[6,6]3)	108.8520	0.000	1	108.8520	0.000	1	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HW)(C[6,6]N[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HW)(C[6,6]N[6,6]O)(H){1|C<2>,1|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|H<1>,1|N<2>,1|W<7>,2|O<2>}	H(C[3x6]C[6,6]3)	113.0210	0.000	1	112.5967	0.136	3	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HW)(C[6,6]N[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HW)(C[6,6]N[6,6]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|H<1>,1|N<2>,1|W<7>,2|O<2>}	H(C[3x6]C[6,6]3)	112.3845	0.033	2	112.5967	0.136	3	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]Br)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]Br)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[3x6]C[6,6]3)	111.0465	0.026	2	111.0465	0.001	2	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]Br)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HS)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]Br)(H){1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HS)(H)2{1|Br<1>,1|H<1>,2|C<3>,2|O<2>}	H(C[3x6]C[6,6]3)	111.4770	0.000	1	111.4770	0.000	1	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<2>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|N<4>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]3)	110.6160	0.000	1	110.7197	0.015	3	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[3x6]C[6,6]3)	110.8530	0.000	1	110.7197	0.015	3	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|N<4>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]3)	110.6900	0.000	1	110.7197	0.015	3	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]2)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]2)(H){1|C<3>,1|I<1>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[6,6]3)	110.5710	0.060	4	110.4117	0.096	8	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]2)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]2)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[6,6]3)	110.2525	0.392	4	110.4117	0.096	8	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(H){1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]3)	111.6790	0.000	1	111.6790	0.000	1	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(H){1|C<4>,1|O<1>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[3x6]C[6,6]3)	111.1250	0.006	2	111.2235	0.013	4	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(H){1|C<4>,1|O<1>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]3)	111.3220	0.021	2	111.2235	0.013	4	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]I)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]I)(H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|I<1>,3|H<1>}	H(C[3x6]C[6,6]3)	111.1490	0.047	4	111.1490	0.002	4	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]N)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]N)(H){1|C<3>,1|N<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[3x6]C[6,6]3)	111.2575	0.081	4	111.1724	0.020	12	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]N)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]N)(H){1|N<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]3)	111.1788	0.152	4	111.1724	0.020	12	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]N)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]N)(H){1|N<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|N<2>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	111.0810	0.149	4	111.1724	0.020	12	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[3x6]C[6,6]3)	110.6967	0.074	3	110.6967	0.005	3	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]O)(H){1|C<3>,1|N<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[3x6]C[6,6]3)	111.1350	0.133	36	111.1350	0.018	36	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]N)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]N)(H){1|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(C[3x6]C[6,6]3)	111.0800	0.008	2	111.0800	0.000	2	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){4|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<4>,1|O<1>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]3)	110.8940	0.000	1	110.8940	0.000	1	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[3x6]C[6,6]3)	110.6910	0.000	1	110.6910	0.000	1	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]N)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]N)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[3x6]C[6,6]3)	110.4853	0.301	3	110.4853	0.091	3	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[3x6]C[6,6]3)	110.4860	0.000	1	110.4112	0.108	4	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[3x6]C[6,6]3)	110.2725	0.490	2	110.4112	0.108	4	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[3x6]C[6,6]3)	110.6140	0.000	1	110.4112	0.108	4	110.8303	2.962	139	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:N[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.4830	0.075	2	110.4830	0.006	2	110.4830	0.006	2	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[4x6]H)(H)	C[6,6](C[4x6]C[3x6]C[6x6]O)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[4x6]H)(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[4x6]C[3x6]C[6x6]O)(C[3x6]C[6,6]2H)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[3x6]C[6,6]3)	111.6930	0.000	1	111.6930	0.000	1	110.5382	2.860	11	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]C)(H)	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[3x6]C[6,6]3)	110.5270	0.081	3	110.5270	0.006	3	110.5382	2.860	11	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]C)(H)	C[6,6](C[4x6]C[5,6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[4x6]C[5,6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<2>,2|H<1>,4|C<4>}	H(C[3x6]C[6,6]3)	110.5213	0.104	3	110.5213	0.011	3	110.5382	2.860	11	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]O)(H)	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]O)(H){3|C<4>,4|H<1>}	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[3x6]C[6,6]3)	106.3840	0.000	1	108.4360	8.421	2	110.5382	2.860	11	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]O)(H)	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]O)(H){3|C<4>,4|H<1>}	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[3x6]C[6,6]3)	110.4880	0.000	1	108.4360	8.421	2	110.5382	2.860	11	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]O)(H)	C[6,6](C[4x6]C[4x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]O)(H){3|C<4>,4|H<1>}	C[6,6](C[4x6]C[4x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[3x6]C[6,6]3)	113.6960	0.000	1	113.6960	0.000	1	110.5382	2.860	11	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]O)(H)	C[6,6](C[4x6]C[5,6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]O)(H){3|C<4>,4|H<1>}	C[6,6](C[4x6]C[5,6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[3x6]C[6,6]3)	110.5140	0.000	1	110.5140	0.000	1	110.5382	2.860	11	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,3x6]HO)(C[6,6]C[6,6]C)(H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,5x6]O)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,3x6]HO)(C[6,6]C[6,6]C)(H){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,5x6]O)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|O<2>,6|C<4>}	H(C[3x6]C[6,6]3)	108.5480	2.621	2	108.5480	6.867	2	110.5013	1.866	10	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,3x6]HO)(C[6,6]C[6,6]C)(H)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,3x6]HO)(C[6,6]C[6,6]C)(H){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[3x6]C[6,6]3)	110.6870	0.000	2	110.6870	0.000	2	110.5013	1.866	10	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[5,3x6]C[5,4x6]C[5,6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]O)(H){3|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,4x6]C[5,6,6]H)(C[3x6]C[6,6]2H)(H)2{1|O<1>,2|H<1>,6|C<4>}	H(C[3x6]C[6,6]3)	111.2870	0.000	1	111.2870	0.000	1	110.5013	1.866	10	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	H(C[3x6]C[6,6]3)	111.2580	0.000	1	111.2580	0.000	1	110.5013	1.866	10	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[3x6]C[6,6]3)	110.9250	0.083	2	110.9250	0.007	2	110.5013	1.866	10	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,3x6]C[4x5,6,6]C[3x6]O[5,6])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[4x5,6,6]C[3x6]O[5,6])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	111.1530	0.000	1	111.1530	0.000	1	110.5013	1.866	10	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[6,6]2H)(H)2{1|O<2>,2|H<1>,2|O<1>,4|C<4>}	H(C[3x6]C[6,6]3)	110.9950	0.000	1	110.9950	0.000	1	110.5013	1.866	10	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,5,3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[5,5,3x6]C[5,5,3x6]C[5,6]O[5,6])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6](C[5,5,3x6]C[5,5,3x6]C[5,6]O[5,6])(C[3x6]C[6,6]2H)(H)2{2|H<1>,2|O<1>,5|C<4>}	H(C[3x6]C[6,6]3)	111.0810	0.000	1	111.0810	0.000	1	111.0810	0.000	1	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]N[6]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(H)	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]N[6]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|N<3>,1|O<1>,2|O<2>,4|C<4>}	H(C[3x6]C[6,6]3)	110.9310	0.000	1	110.9310	0.000	1	112.8502	48.169	16	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]O)(H){3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[3x6]C[6,6]3)	111.2890	0.000	1	111.2890	0.000	1	112.8502	48.169	16	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,5,6,6]CO)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,6,6]C[5,3x6]S[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,5,6,6]CO)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H){1|N<3>,1|S<4>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,3x6]S[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<2>,1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	H(C[3x6]C[6,6]3)	110.8410	0.000	1	110.8410	0.000	1	112.8502	48.169	16	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[5,6,6]N[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]C)(H){1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6,6]N[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[3x6]C[6,6]3)	111.4390	0.000	1	111.4390	0.000	1	112.8502	48.169	16	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]O)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[3x6]C[6,6]3)	111.2320	0.000	1	111.2320	0.000	1	112.8502	48.169	16	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[5,6,6]C[5,3x6]O[5]O)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,2|O<2>,3|H<1>}	C[6,6](C[5,6,6]C[5,3x6]O[5]O)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[3x6]C[6,6]3)	111.0035	0.149	2	111.0035	0.022	2	112.8502	48.169	16	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,6,6]C[3x6]O[5]2)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[5,6,6]C[3x6]O[5]2)(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[3x6]C[6,6]3)	111.3640	0.117	4	111.3640	0.014	4	112.8502	48.169	16	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,6,6]C[3x6]S[5]2)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,2|S<2>,3|H<1>}	C[6,6](C[5,6,6]C[3x6]S[5]2)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	124.9935	19.610	2	124.9935	384.560	2	112.8502	48.169	16	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,6,6]C[5,3x6]N[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,3x6]N[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[3x6]C[6,6]3)	110.9620	0.000	1	110.9620	0.000	1	112.8502	48.169	16	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[5,6,6]C[5,3x6]O[5]C)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6](C[5,6,6]C[5,3x6]O[5]C)(C[3x6]C[6,6]2H)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]3)	110.7295	0.071	2	110.7295	0.005	2	112.8502	48.169	16	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]3)	110.9585	0.056	2	110.9585	0.003	2	110.9427	0.038	16	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]3)	111.0510	0.000	1	111.0510	0.000	1	110.9427	0.038	16	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[6,6]C[5,5,3x6]HH)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[5,5,3x6]HH)(C[3x6]C[6,6]2H)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]3)	111.0480	0.000	1	111.0480	0.000	1	110.9427	0.038	16	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]3)	110.9700	0.252	2	110.9700	0.063	2	110.9427	0.038	16	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[3x6]C[6,6]3)	110.9560	0.000	1	110.9560	0.000	1	110.9427	0.038	16	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]3)	110.7890	0.126	2	110.7890	0.016	2	110.9427	0.038	16	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,2|C<2>,2|H<1>}	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(H)2{1|C<4>,1|H<1>,2|C<2>,4|C<3>}	H(C[3x6]C[6,6]3)	110.9470	0.000	1	110.9470	0.000	1	110.9427	0.038	16	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[3x6]H)(H)	C[6,6](C[6,6]C[4x6]C[6a]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[6,6]C[4x6]C[6a]H)(C[3x6]C[6,6]2H)(H)2{1|C<4>,1|H<1>,2|O<2>,4|C<3>}	H(C[3x6]C[6,6]3)	111.1527	0.090	3	111.1527	0.008	3	110.9427	0.038	16	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,4|C<4>}	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|N<3>,4|H<1>}	H(C[3x6]C[6,6]3)	111.0230	0.000	1	110.7293	0.065	3	110.9427	0.038	16	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2{1|N<3>,1|N<4>,2|C<3>,4|H<1>}	H(C[3x6]C[6,6]3)	110.5825	0.009	2	110.7293	0.065	3	110.9427	0.038	16	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:Br-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]BrH)(C[6,6]C[3x6]HH)(N[6,6]C[3x6]S)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(Br)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[3x6]BrH)(C[6,6]C[3x6]HH)(N[6,6]C[3x6]S)(H){1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(Br)(H){1|S<4>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]2N[6,6])	110.5870	0.160	2	110.5870	0.026	2	110.5870	0.026	2	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]BrH)(C[6,6]C[3x6]HH)(N[6,6]C[3x6]S)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[3x6]BrH)(C[6,6]C[3x6]HH)(N[6,6]C[3x6]S)(H){1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2{2|Br<1>,1|S<4>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]2N[6,6])	110.5990	0.156	2	110.5990	0.024	2	110.0913	0.143	18	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(N[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]C)(H)2	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(N[6,6]C[3x6]C)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]C)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]2N[6,6])	110.5820	0.000	1	110.7745	0.074	2	110.0913	0.143	18	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(N[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]C)(H)2	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(N[6,6]C[3x6]C)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]C)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]2N[6,6])	110.9670	0.000	1	110.7745	0.074	2	110.0913	0.143	18	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)2(H)2	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]C)(H){1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)2(H)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]2N[6,6])	109.8923	0.130	4	109.8923	0.017	4	110.0913	0.143	18	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(H){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[3x6]C[6,6]2N[6,6])	109.9870	0.055	2	109.8003	0.030	6	110.0913	0.143	18	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|O<1>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]2N[6,6])	109.7070	0.119	4	109.8003	0.030	6	110.0913	0.143	18	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)2(H)2	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(H){1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)2(H)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]2N[6,6])	110.1312	0.053	4	110.1312	0.003	4	110.0913	0.143	18	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N[5]H)(H)2	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N[5]H)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]2N[6,6])	109.8950	0.000	1	109.8950	0.000	1	109.9651	0.147	14	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(N[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]HH)2(N[6,6]C[6,6]H)(H){1|C<4>,1|N<2>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[3x6]C[6,6]2N[6,6])	110.4640	0.044	2	110.4640	0.002	2	109.9651	0.147	14	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(N[6,6]N[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]HH)2(N[6,6]N[6,6]C)(H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]2N[6,6])	109.8808	0.365	11	109.8808	0.133	11	109.9651	0.147	14	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[4x6]HH)(N[6,6]C[3x6]C)(H)	C[6,6](C[4x6]C[3,3x6]O[6,6]C[6])(C[3x6]C[6,6]N[6,6]H)(H)2	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[4x6]HH)(N[6,6]C[3x6]C)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[4x6]C[3,3x6]O[6,6]C[6])(C[3x6]C[6,6]N[6,6]H)(H)2{1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[3x6]C[6,6]2N[6,6])	110.8570	0.000	1	110.8570	0.000	1	110.8673	0.003	3	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[4x6]HH)(N[6,6]C[3x6]C)(H)	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[3x6]C[6,6]N[6,6]H)(H)2	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[4x6]HH)(N[6,6]C[3x6]C)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[3x6]C[6,6]N[6,6]H)(H)2{1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[3x6]C[6,6]2N[6,6])	110.8725	0.081	2	110.8725	0.007	2	110.8673	0.003	3	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	P[4x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](P[4x6]As[4x6]C[3x6]W)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]P[4x6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]2P[4x6])	C[3x6](P[4x6]As[4x6]C[3x6]W)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]P[4x6]H)(C[6,6]C[3x6]HH)(H)2{1|As<3>,1|C<3>,1|C<4>,1|W<6>,2|H<1>}	H(C[3x6]C[6,6]2P[4x6])	109.2525	0.091	2	109.2525	0.008	2	109.2525	0.008	2	110.7455	3.449	415	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,4x6]-4:C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[5,4x6]C[5,5,3x6]C[5,6,6]O[6])(C[6,6]C[3x6]HO)(C[6]C[6,6a]O)(H)	C[6,6](C[3x6]C[5,5,3x6]C[6,6]H)(C[3x6]C[5,4x6]C[6]H)(OC)(H)	H(C[3x6]C[5,4x6]C[6,6]C[6])	C[3x6](C[5,4x6]C[5,5,3x6]C[5,6,6]O[6])(C[6,6]C[3x6]HO)(C[6]C[6,6a]O)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[5,5,3x6]C[6,6]H)(C[3x6]C[5,4x6]C[6]H)(OC)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>,3|O<2>}	H(C[3x6]C[5,4x6]C[6,6]C[6])	107.0340	0.000	1	107.0340	0.000	1	107.0043	0.005	3	109.8257	2.450	31	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,4x6]-4:C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]HO)(C[6]C[6,6a]O)(H)	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2H)(OC)(H)	H(C[3x6]C[5,4x6]C[6,6]C[6])	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]HO)(C[6]C[6,6a]O)(H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2H)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	H(C[3x6]C[5,4x6]C[6,6]C[6])	106.9895	0.088	2	106.9895	0.008	2	107.0043	0.005	3	109.8257	2.450	31	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HO)(OH)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HO)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.4140	0.062	2	111.4140	0.004	2	111.4140	0.004	2	109.8257	2.450	31	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)2(OC)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(C[6,6]C[3x6]H)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(OC)(H){2|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	109.6910	0.000	1	109.6910	0.000	1	110.3045	0.753	2	109.8257	2.450	31	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[3x6]C[4x6]H)(C[3x6]C[6,6]2H)(OH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[4x6]H)(C[3x6]C[6,6]2H)(OH)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[3x6]C[6,6]3)	110.9180	0.000	1	110.9180	0.000	1	110.3045	0.753	2	109.8257	2.450	31	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CN)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CN)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[3x6]C[6,6]3)	111.0420	0.000	1	111.0420	0.000	1	111.0420	0.000	1	109.8257	2.450	31	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HN)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]OO)(OH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HN)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]C)(H){1|Br<1>,1|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]OO)(OH)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]3)	110.6345	0.210	2	110.6345	0.044	2	110.6345	0.044	2	109.8257	2.450	31	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(O[6]C[6])(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]3)	107.6360	0.000	1	107.6360	0.000	1	107.8356	0.143	5	109.8257	2.450	31	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	108.0775	0.018	2	107.8855	0.175	4	107.8356	0.143	5	109.8257	2.450	31	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	107.6935	0.613	2	107.8855	0.175	4	107.8356	0.143	5	109.8257	2.450	31	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,3x6]HO)(C[6,6]C[6,6]C)(H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,3x6]HO)(C[6,6]C[6,6]C)(H){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OH)(H){1|C<3>,2|H<1>,6|C<4>}	H(C[3x6]C[6,6]3)	110.7330	0.000	2	110.7330	0.000	2	110.7738	1.457	6	109.8257	2.450	31	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,3x6]HO)(C[6,6]C[6,6]C)(H)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,3x6]HO)(C[6,6]C[6,6]C)(H){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	H(C[3x6]C[6,6]3)	111.2765	2.519	2	111.2765	6.347	2	110.7738	1.457	6	109.8257	2.450	31	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HO)2(C[6,6]C[6,6]C)(H)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HO)2(C[6,6]C[6,6]C)(H){3|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H){1|C<3>,1|H<1>,1|O<2>,6|C<4>}	H(C[3x6]C[6,6]3)	110.3260	0.000	1	110.3260	0.000	1	110.7738	1.457	6	109.8257	2.450	31	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HO)2(C[6,6]C[6,6]C)(H)	C[6,6](C[5,3x6]C[5,5,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HO)2(C[6,6]C[6,6]C)(H){3|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,5,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[3x6]C[6,6]3)	110.2980	0.000	1	110.2980	0.000	1	110.7738	1.457	6	109.8257	2.450	31	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]O)(H)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(OH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(OH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	110.7520	0.000	1	110.7520	0.000	1	110.7520	0.000	1	109.8257	2.450	31	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(N[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(OH)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(N[6,6]C[3x6]C)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]2N[6,6])	110.5850	0.000	1	110.5850	0.000	1	110.8242	0.025	5	109.8257	2.450	31	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(N[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(OSi)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(N[6,6]C[3x6]C)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(OSi)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]2N[6,6])	110.9630	0.000	1	110.9630	0.000	1	110.8242	0.025	5	109.8257	2.450	31	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[4x6]HH)(N[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[3,3x6]O[6,6]H)(C[3x6]C[6,6]N[6,6]H)(OH)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[4x6]HH)(N[6,6]C[3x6]C)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[3,3x6]O[6,6]H)(C[3x6]C[6,6]N[6,6]H)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[3x6]C[6,6]2N[6,6])	110.8860	0.000	1	110.8860	0.000	1	110.8242	0.025	5	109.8257	2.450	31	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[4x6]HH)(N[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[6,6]N[6,6]H)(OH)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[4x6]HH)(N[6,6]C[3x6]C)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[6,6]N[6,6]H)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[3x6]C[6,6]2N[6,6])	110.8435	0.138	2	110.8435	0.019	2	110.8242	0.025	5	109.8257	2.450	31	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CN)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CN)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]2N[6,6])	109.1725	0.021	2	109.1725	0.000	2	109.1725	0.000	2	109.8257	2.450	31	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HO)2(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(OC)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]HO)2(N[6,6]C[6,6]C)(H){1|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]2N[6,6])	110.3990	0.052	2	110.3990	0.003	2	110.3990	0.003	2	109.8257	2.450	31	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:2:2:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CC)(CN)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(H){1|C<3>,1|H<1>,2|C<2>,4|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CC)(CN)2{1|H<1>,2|C<3>,3|C<4>}	H(C[3x6]C[5,6,6]C[6,6]2)	107.4930	0.000	1	107.4930	0.000	1	108.4465	3.958	4	108.8275	6.149	12	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:2:2:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CC)(CN)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(H){1|C<3>,1|H<1>,2|C<2>,4|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CC)(CN)2{1|H<1>,2|C<3>,3|C<4>}	H(C[3x6]C[5,6,6]C[6,6]2)	106.1040	0.000	1	106.1040	0.000	1	108.4465	3.958	4	108.8275	6.149	12	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:2:2:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CC)(CN)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(H){2|C<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CC)(CN)2{1|C<3>,1|H<1>,4|C<4>}	H(C[3x6]C[5,6,6]C[6,6]2)	110.0945	0.213	2	110.0945	0.045	2	108.4465	3.958	4	108.8275	6.149	12	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:2:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CN)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]O)(H){2|C<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CN)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[3x6]C[6,6]3)	106.2370	0.000	1	106.2370	0.000	1	107.2375	9.712	4	108.8275	6.149	12	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:2:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CN)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|C<2>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CN)2{1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	108.1420	0.000	1	108.1420	0.000	1	107.2375	9.712	4	108.8275	6.149	12	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:2:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CN)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,2|C<2>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CN)2{1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[6,6]3)	110.9810	0.000	1	107.2855	27.313	2	107.2375	9.712	4	108.8275	6.149	12	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:2:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CN)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,2|C<2>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CN)2{1|C<2>,1|C<4>,1|O<2>,3|H<1>}	H(C[3x6]C[6,6]3)	103.5900	0.000	1	107.2855	27.313	2	107.2375	9.712	4	108.8275	6.149	12	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:2:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-2:O-2:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]Br)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(OC)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]Br)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(OC)2{1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	111.0495	0.018	2	111.0495	0.000	2	111.0495	0.000	2	108.8275	6.149	12	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:2:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,5,6,6]-4:C[3x6]-4:C-2:O-2:	C[3x6]-4:	C[3x6](C[6,6]C[5,5,6,6]CO)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,5,6,6]C[5,3x6]N[5,5]C[5])(C[3x6]C[6,6]2H)(CC)(OH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,5,6,6]CO)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H){1|N<3>,1|S<4>,2|C<4>,2|H<1>}	C[6,6](C[5,5,6,6]C[5,3x6]N[5,5]C[5])(C[3x6]C[6,6]2H)(CC)(OH){1|C<3>,1|S<4>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	110.8170	0.000	1	110.8170	0.000	1	110.8170	0.000	1	108.8275	6.149	12	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:2:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C-2:C-2:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(CN)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(CN)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6]3)	110.2780	0.000	1	110.2780	0.000	1	110.2780	0.000	1	108.8275	6.149	12	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5,6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]O)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2)(H){1|O<1>,2|O<2>,5|C<4>,8|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]O)(H){2|C<3>,4|H<1>,6|C<4>}	H(C[3x6]C[3x6]C[6,6]2)	108.4980	0.210	4	108.4980	0.044	4	108.4980	0.044	4	109.6631	2.336	87	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[5,6]N[3x6]H)(C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]N)(H)	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[3x6]C[6,6]H)(CC[6a]O)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[5,6]N[3x6]H)(C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]N)(H){1|H<1>,2|C<4>,5|C<3>}	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[3x6]C[6,6]H)(CC[6a]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>,3|N<3>}	H(C[3x6]C[3x6]C[6,6]2)	110.3020	0.000	1	110.3020	0.000	1	110.3020	0.000	1	109.6631	2.336	87	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6]HH)(N[6]C[6]C)(H)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.0850	0.000	1	107.0850	0.000	1	107.3369	0.203	10	109.6631	2.336	87	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.5780	0.000	1	107.3649	0.220	9	107.3369	0.203	10	109.6631	2.336	87	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.3383	0.494	8	107.3649	0.220	9	107.3369	0.203	10	109.6631	2.336	87	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[4,5,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(CC[6a]O)(H)	H(C[3x6]C[4,5,3x6]C[6,6]2)	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(CC[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[4,5,3x6]C[6,6]2)	111.8363	0.102	3	111.8363	0.010	3	111.8363	0.010	3	109.6631	2.336	87	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:C[3x6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CH)(C[6]C[6a]C[6])(H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(CCH)(H)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CH)(C[6]C[6a]C[6])(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(CCH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[3x6]C[4x6]C[6,6]C[6])	109.2470	0.000	1	109.2470	0.000	1	109.2470	0.000	1	109.6631	2.336	87	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]Cl)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[6]O[6]HH)(C[6]C[6]H)(H)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]Cl)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|Cl<1>,1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6,6](C[3x6]C[4x6]C[6]H)(C[6]O[6]HH)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	109.1670	0.000	1	109.1670	0.000	1	109.1670	0.000	1	109.6631	2.336	87	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]CH)(CCH)(H)	H(C[3x6]C[5,3x6]C[6,6]2)	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]CH)(CCH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[5,3x6]C[6,6]2)	110.6480	0.000	1	110.6480	0.000	1	110.6480	0.000	1	109.6631	2.336	87	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	H(C[3x6]C[5,3x6]C[6,6]C[6])	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[3x6]C[5,3x6]C[6,6]C[6])	108.0487	1.005	9	107.9976	0.925	10	107.9976	0.925	10	109.6631	2.336	87	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	H(C[3x6]C[5,3x6]C[6,6]C[6])	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){2|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[3x6]C[5,3x6]C[6,6]C[6])	107.5380	0.000	1	107.9976	0.925	10	107.9976	0.925	10	109.6631	2.336	87	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,4x6]-4:C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:C[3x6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[5,4x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]CH)(C[6]C[6]C)(H)	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2C)(CCH)(H)	H(C[3x6]C[5,4x6]C[6,6]C[6])	C[3x6](C[5,4x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]CH)(C[6]C[6]C)(H){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2C)(CCH)(H){1|C<3>,2|O<1>,4|C<4>}	H(C[3x6]C[5,4x6]C[6,6]C[6])	107.1350	0.000	1	107.1350	0.000	1	107.1350	0.000	1	109.6631	2.336	87	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,4x6]-4:C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:C[3x6]-4:N[6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]N[6]H)(C[6]C[6,6a]O)(H)	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2H)(N[6]C[6]2)(H)	H(C[3x6]C[5,4x6]C[6,6]C[6])	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]N[6]H)(C[6]C[6,6a]O)(H){1|O<2>,2|H<1>,3|C<3>,5|C<4>}	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2H)(N[6]C[6]2)(H){1|C<3>,1|O<2>,2|O<1>,4|C<4>,6|H<1>}	H(C[3x6]C[5,4x6]C[6,6]C[6])	107.0600	0.000	1	107.0600	0.000	1	107.0600	0.000	1	109.6631	2.336	87	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(CCH)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(CCH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	110.9420	0.000	1	110.9420	0.000	1	111.0770	0.036	2	109.6631	2.336	87	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(CRuH)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(CRuH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.2120	0.000	1	111.2120	0.000	1	111.0770	0.036	2	109.6631	2.336	87	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[6a]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]C[6a]H)(C[3x6]C[5,3x6]O[6]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[6,6]C[5,6,6]C[6a]H)(C[3x6]C[5,3x6]O[6]H)(C[6,6]C[6,6]H)(H){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|O<2>,3|C<3>,5|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	110.9160	0.000	1	110.9160	0.000	1	110.9160	0.000	1	109.6631	2.336	87	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHO)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHO)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.8120	0.000	1	110.8120	0.000	1	110.6090	0.082	2	109.6631	2.336	87	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CH)(C[6,6]C[3x6]O)(H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(CCH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CH)(C[6,6]C[3x6]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(CCH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[3x6]C[6,6]3)	110.4060	0.000	1	110.4060	0.000	1	110.6090	0.082	2	109.6631	2.336	87	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[3x6]C[6]2)(C[3x6]C[6,6]2H)(NC[6a]H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){3|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6]2)(C[3x6]C[6,6]2H)(NC[6a]H)(H){1|O<1>,4|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	111.2450	1.093	2	111.2450	1.195	2	111.2450	1.195	2	109.6631	2.336	87	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:N[6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]N[6]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(H)	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2H)(N[6]C[6]2)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]N[6]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2H)(N[6]C[6]2)(H){1|C<3>,1|O<2>,2|O<1>,4|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	110.9460	0.000	1	110.9460	0.000	1	110.9460	0.000	1	109.6631	2.336	87	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(COO)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(COO)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]3)	110.5767	0.205	3	110.5767	0.042	3	110.5939	0.386	29	109.6631	2.336	87	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[4x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]HH)(COO)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[4x6]H)(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]HH)(COO)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	111.7190	0.000	1	111.7190	0.000	1	110.5939	0.386	29	109.6631	2.336	87	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCC)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]O)(H){2|C<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|C<2>}	H(C[3x6]C[6,6]3)	110.8780	0.000	1	110.8780	0.000	1	110.5939	0.386	29	109.6631	2.336	87	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CN[5]O)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CN[5]O)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	112.4590	0.000	1	112.4590	0.000	1	110.5939	0.386	29	109.6631	2.336	87	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(COO)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(COO)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	108.3940	0.000	1	108.3940	0.000	1	110.5939	0.386	29	109.6631	2.336	87	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCO)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCO)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	111.0400	0.000	1	111.0400	0.000	1	110.5939	0.386	29	109.6631	2.336	87	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CC[6a]O)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CC[6a]O)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.8690	0.093	2	110.8690	0.009	2	110.5939	0.386	29	109.6631	2.336	87	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CCH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<4>,2|C<2>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CCH)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]3)	110.2438	0.156	4	110.2438	0.024	4	110.5939	0.386	29	109.6631	2.336	87	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)2(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(COO)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)2(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(COO)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[6,6]3)	110.5526	0.084	15	110.5526	0.007	15	110.5939	0.386	29	109.6631	2.336	87	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]O)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H){1|Br<1>,1|H<1>,1|O<1>,3|C<4>,4|C<3>}	H(C[3x6]C[6,6]3)	110.4680	0.000	1	110.4680	0.000	1	110.4283	0.088	4	109.6631	2.336	87	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H){3|C<3>,3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.0270	0.000	1	110.0270	0.000	1	110.4283	0.088	4	109.6631	2.336	87	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(C[6a]C[6a]2)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,2|C<2>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[3x6]C[6,6]3)	110.7410	0.000	1	110.7410	0.000	1	110.4283	0.088	4	109.6631	2.336	87	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(C[6a]C[6a]2)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	110.4770	0.000	1	110.4770	0.000	1	110.4283	0.088	4	109.6631	2.336	87	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HN)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(NOO)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HN)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]C)(H){1|Br<1>,1|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(NOO)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]3)	110.6490	0.156	2	110.6490	0.024	2	110.6490	0.024	2	109.6631	2.336	87	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6]2H)2(C[6,6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6]2H)2(C[6,6]C[6]2)(H){2|O<1>,2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	108.1850	0.000	1	108.1850	0.000	1	107.8263	0.243	3	109.6631	2.336	87	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HO)(C[6]C[6]C)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HO)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	107.6470	0.542	2	107.6470	0.293	2	107.8263	0.243	3	109.6631	2.336	87	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(COO)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(COO)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[3x6]C[6,6]3)	110.3900	0.000	1	110.4540	0.016	3	110.4880	0.015	4	109.6631	2.336	87	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(COO)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(COO)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[3x6]C[6,6]3)	110.4860	0.160	2	110.4540	0.016	3	110.4880	0.015	4	109.6631	2.336	87	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(COO)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(COO)(H){1|O<1>,2|N<3>,3|C<3>,4|H<1>}	H(C[3x6]C[6,6]3)	110.5900	0.000	1	110.5900	0.000	1	110.4880	0.015	4	109.6631	2.336	87	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[3x6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]O)(H)	C[6,6](C[6,6]C[5,3x6]CH)(C[3x6]C[6,6]2H)(CC[6a]O)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,3x6]CH)(C[3x6]C[6,6]2H)(CC[6a]O)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]3)	111.2550	0.000	1	111.2550	0.000	1	111.0840	0.058	2	109.6631	2.336	87	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[3x6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]C)(H)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(COO)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(COO)(H){1|H<1>,2|O<2>,5|C<3>}	H(C[3x6]C[6,6]3)	110.9130	0.000	1	110.9130	0.000	1	111.0840	0.058	2	109.6631	2.336	87	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCO)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCO)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]2N[6,6])	108.7720	0.000	1	108.7720	0.000	1	108.7720	0.000	1	109.6631	2.336	87	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]N[6,6]HH)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]N[6,6]HH)(N[6,6]C[6,6]C)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	H(C[3x6]C[6,6]2N[6,6])	109.9600	0.000	1	109.9600	0.000	1	109.9600	0.000	1	109.6631	2.336	87	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)2(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H){5|C<4>,9|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)2(H){1|C<3>,2|H<1>,6|C<4>}	H(C[3x6]C[3x6]C[6,6]2)	109.7310	0.000	1	109.7310	0.000	1	109.7310	0.000	1	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CN)(H)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CN)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.7230	0.000	1	107.7230	0.000	1	107.7230	0.000	1	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	H(C[3x6]C[5,3x6]C[6,6]C[6])	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[3x6]C[5,3x6]C[6,6]C[6])	108.9263	0.488	8	108.9263	0.238	8	108.9263	0.238	8	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]O[5]H)(CH3)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]O[5]H)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	110.9020	0.000	1	110.9020	0.000	1	110.9020	0.000	1	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]N[5,6,6]C[5,6a]C)(C[6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5]C[5,6a]N[5]C)(C[6,6]C[3x6]CH)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]N[5,6,6]C[5,6a]C)(C[6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|N<3>,2|C<4>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5]C[5,6a]N[5]C)(C[6,6]C[3x6]CH)(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.1575	0.128	2	111.1575	0.016	2	111.1575	0.016	2	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(CRuCH)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(CRuCH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	110.9985	0.260	2	110.9985	0.067	2	110.7293	0.308	4	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CCCH)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CCCH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	110.9920	0.000	1	110.9920	0.000	1	110.7293	0.308	4	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]N[5,6,6]C[6a]O[5])(C[6,6]C[6,6]CH)(C[6,6]N[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CH3)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]N[5,6,6]C[6a]O[5])(C[6,6]C[6,6]CH)(C[6,6]N[6,6]O)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	H(C[3x6]C[5,6,6]C[6,6]2)	109.9280	0.000	1	109.9280	0.000	1	110.7293	0.308	4	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHHO)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHHO)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	110.6850	0.000	1	110.5225	0.053	2	110.5225	0.053	2	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHHO)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H){1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHHO)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]3)	110.3600	0.000	1	110.5225	0.053	2	110.5225	0.053	2	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(H)	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(H){4|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2H)(H){1|O<1>,6|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	110.0170	0.000	1	110.0170	0.000	1	110.0170	0.000	1	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(CHHO)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(CHHO)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]3)	110.4200	0.000	1	110.4200	0.000	1	110.6308	0.106	8	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(H){2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[3x6]C[6,6]3)	110.0570	0.000	1	110.0570	0.000	1	110.6308	0.106	8	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CH3)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(H){2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CH3)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]3)	110.8370	0.000	1	110.8370	0.000	1	110.6308	0.106	8	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CCHH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CCHH)(H){1|C<3>,1|N<3>,4|H<1>}	H(C[3x6]C[6,6]3)	110.2980	0.000	1	110.2980	0.000	1	110.6308	0.106	8	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)2(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CHHO)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)2(C[6,6]C[6,6]H)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CHHO)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	110.8585	0.045	4	110.8585	0.002	4	110.6308	0.106	8	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:N[5]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(N[5]C[5]2H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){4|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(N[5]C[5]2H)(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	110.8540	0.000	1	110.8540	0.000	1	110.8540	0.000	1	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6]2H)2(C[6,6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6]2H)2(C[6,6]C[6]2)(H){2|O<1>,2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[3x6]C[6,6]3)	108.2360	0.000	1	108.2360	0.000	1	107.9725	0.068	4	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	108.0210	0.016	2	107.8847	0.056	3	107.9725	0.068	4	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	107.6120	0.000	1	107.8847	0.056	3	107.9725	0.068	4	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:N[6,6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(CC[6a]HH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<2>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(CC[6a]HH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	110.6110	0.000	1	110.6505	0.003	2	110.6505	0.003	2	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:N[6,6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(CC[6a]HH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(CC[6a]HH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	110.6900	0.000	1	110.6505	0.003	2	110.6505	0.003	2	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[5,6,6]N[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(CHHO)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]C)(H){1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6,6]N[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(CHHO)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	111.4980	0.000	1	111.4980	0.000	1	111.1440	0.251	2	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,6,6]C[5,3x6]C[3x6]O[5])(C[3x6]C[6,6]2H)(CCHH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[3x6]O[5])(C[3x6]C[6,6]2H)(CCHH)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6]3)	110.7900	0.000	1	110.7900	0.000	1	111.1440	0.251	2	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[3,6]-4:C[6,6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3,6]C[6,6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3,6]C[3,6]O[3]H)(C[6,6]N[6,6]C[6]H)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[3,6]C[6,6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){1|C<2>,1|N<3>,1|O<2>,3|C<4>,9|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3,6]C[3,6]O[3]H)(C[6,6]N[6,6]C[6]H)(H){1|C<3>,3|H<1>,6|C<4>}	H(C[3x6]C[6,6]2N[6,6])	109.0120	0.000	1	109.0120	0.000	1	109.0120	0.000	1	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[3,6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3,6]C[3,6]O[3]H)(C[6]N[6,6]HH)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H){1|C<2>,1|N<3>,1|O<2>,3|C<4>,9|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3,6]C[3,6]O[3]H)(C[6]N[6,6]HH)(H){1|C<3>,1|H<1>,5|C<4>}	H(C[3x6]C[6,6]2N[6,6])	108.1320	0.000	1	108.1320	0.000	1	108.1320	0.000	1	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){1|C<3>,1|H<1>,4|C<4>}	H(C[3x6]C[6,6]2N[6,6])	109.3990	0.000	1	109.3803	0.007	4	109.1827	0.185	9	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[3x6]C[6,6]2N[6,6])	109.4165	0.098	2	109.3803	0.007	4	109.1827	0.185	9	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[3x6]C[6,6]2N[6,6])	109.2890	0.000	1	109.3803	0.007	4	109.1827	0.185	9	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]2N[6,6])	108.7920	0.180	4	109.0246	0.295	5	109.1827	0.185	9	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]2N[6,6])	109.9550	0.000	1	109.0246	0.295	5	109.1827	0.185	9	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H){1|C<2>,1|N<3>,1|O<2>,3|C<4>,9|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	H(C[3x6]C[6,6]2N[6,6])	108.1420	0.000	1	108.1420	0.000	1	108.1251	0.088	12	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){10|H<1>,1|C<3>,1|N<3>,2|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|H<1>,5|C<4>}	H(C[3x6]C[6,6]2N[6,6])	108.3620	0.000	1	108.1235	0.097	11	108.1251	0.088	12	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){10|H<1>,1|C<3>,1|N<3>,2|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	H(C[3x6]C[6,6]2N[6,6])	108.6100	0.000	1	108.1235	0.097	11	108.1251	0.088	12	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){10|H<1>,1|C<3>,1|N<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	H(C[3x6]C[6,6]2N[6,6])	108.0695	0.128	2	108.1235	0.097	11	108.1251	0.088	12	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){10|H<1>,1|N<3>,4|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	H(C[3x6]C[6,6]2N[6,6])	107.9820	0.021	2	108.1235	0.097	11	108.1251	0.088	12	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){11|H<1>,1|N<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	H(C[3x6]C[6,6]2N[6,6])	108.3113	0.215	3	108.1235	0.097	11	108.1251	0.088	12	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){11|H<1>,1|N<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	H(C[3x6]C[6,6]2N[6,6])	107.7520	0.000	1	108.1235	0.097	11	108.1251	0.088	12	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){11|H<1>,1|N<4>,3|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	H(C[3x6]C[6,6]2N[6,6])	107.5980	0.000	1	108.1235	0.097	11	108.1251	0.088	12	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){10|H<1>,1|C<3>,1|N<3>,2|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|H<1>,2|C<3>,4|C<4>}	H(C[3x6]C[6,6]2N[6,6])	108.6140	0.000	1	108.1335	0.096	11	108.0921	0.108	12	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){10|H<1>,1|C<3>,1|N<3>,2|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]2N[6,6])	108.3520	0.000	1	108.1335	0.096	11	108.0921	0.108	12	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){10|H<1>,1|C<3>,1|N<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[3x6]C[6,6]2N[6,6])	108.0915	0.074	2	108.1335	0.096	11	108.0921	0.108	12	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){10|H<1>,1|N<3>,4|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[3x6]C[6,6]2N[6,6])	107.9905	0.070	2	108.1335	0.096	11	108.0921	0.108	12	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){11|H<1>,1|N<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[3x6]C[6,6]2N[6,6])	108.1677	0.367	4	108.1335	0.096	11	108.0921	0.108	12	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){11|H<1>,1|N<4>,3|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){3|H<1>,6|C<4>}	H(C[3x6]C[6,6]2N[6,6])	107.6670	0.000	1	108.1335	0.096	11	108.0921	0.108	12	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){11|H<1>,1|O<2>,3|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[3x6]C[6,6]2N[6,6])	107.6370	0.000	1	107.6370	0.000	1	108.0921	0.108	12	109.1921	1.427	72	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-4:O-2:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CH3)(OH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]O)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CH3)(OH){1|O<1>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]3)	110.6115	0.135	2	110.6115	0.018	2	110.6115	0.018	2	109.8183	1.896	3	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:2:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:O-2:	C[3x6]-4:	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2O)(N[6,6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2O)(N[6,6]C[6]2)(H){11|H<1>,1|O<2>,3|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<3>,4|C<4>,4|H<1>}	H(C[3x6]C[6,6]2N[6,6])	108.2320	0.000	1	108.2320	0.000	1	108.2320	0.000	1	109.8183	1.896	3	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:3:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(COO)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){11|H<1>,1|O<2>,3|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(COO){4|C<4>,5|H<1>}	H(C[3x6]C[6,6]2N[6,6])	107.6070	0.000	1	107.6070	0.000	1	107.8875	0.157	2	107.8875	0.157	2	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:3:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2O)(N[6,6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(COO)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2O)(N[6,6]C[6]2)(H){11|H<1>,1|O<2>,3|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(COO){1|O<2>,4|C<4>,4|H<1>}	H(C[3x6]C[6,6]2N[6,6])	108.1680	0.000	1	108.1680	0.000	1	107.8875	0.157	2	107.8875	0.157	2	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C-4:C-4:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(CH3)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(CH3)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[3x6]C[5,6,6]C[6,6]2)	110.6515	0.179	2	110.6515	0.032	2	110.6515	0.032	2	110.4350	0.157	3	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CH3)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(H){2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CH3)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[3x6]C[6,6]3)	110.0020	0.000	1	110.0020	0.000	1	110.0020	0.000	1	110.4350	0.157	3	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	3:3:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6a]O[6]2)(C[6,6]C[6,6a]2H)(C[6]O[6]HO)(H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])2(C[3x6]C[3x6]C[6]H)(H)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6a]O[6]2)(C[6,6]C[6,6a]2H)(C[6]O[6]HO)(H){6|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])2(C[3x6]C[3x6]C[6]H)(H){1|H<1>,4|O<2>,7|C<3>}	H(C[3x6]C[3x6]C[6,6]C[6])	108.3400	0.000	1	108.3400	0.000	1	108.3400	0.000	1	108.3400	0.000	1	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	3:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5a,6]-3:C[6,6a]-3:C[3x6]-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[5a,6]C[6,6a]C)(C[6,6]C[6]O[6]H)2(H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)(CH3)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5a,6]C[6,6a]C)(C[6,6]C[6]O[6]H)2(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)(CH3){1|N<2>,1|N<3>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	107.5080	0.000	1	107.5080	0.000	1	107.5080	0.000	1	107.5080	0.000	1	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-3:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.2540	0.120	2	110.2540	0.014	2	110.3472	0.017	9	110.2229	0.136	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-3:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]N[5,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]N[5,6,6]HH)(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2H)(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[3x6]C[6,6]3)	110.4887	0.036	3	110.4887	0.001	3	110.3472	0.017	9	110.2229	0.136	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-3:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)2(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)2(C[6,6]C[6,6]HH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.2878	0.100	4	110.2878	0.010	4	110.3472	0.017	9	110.2229	0.136	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[3x6]-3:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]N[3x6]HH)(H)	C[6,6](N[3x6]C[4x6]C[6])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]N[3x6]HH)(H){1|C<3>,1|H<1>,4|C<4>}	C[6,6](N[3x6]C[4x6]C[6])(C[3x6]C[6,6]2H)(H)2{3|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	109.6180	0.000	1	109.6180	0.000	1	109.6180	0.000	1	110.2229	0.136	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[5,6,6]-3:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]N[5,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](N[5,6,6]C[5,3x6]O[5])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]N[5,6,6]HH)(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](N[5,6,6]C[5,3x6]O[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	110.6017	0.045	3	110.6017	0.002	3	110.4022	0.160	4	110.2229	0.136	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[5,6,6]-3:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]N[5,6,6]HH)(C[6,6]C[6,6]HH)2(H)	C[6,6](N[5,6,6]C[5,3x6]S[5])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]N[5,6,6]HH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|S<4>,4|H<1>}	C[6,6](N[5,6,6]C[5,3x6]S[5])(C[3x6]C[6,6]2H)(H)2{1|O<2>,2|O<1>,3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	109.8040	0.000	1	109.8040	0.000	1	110.4022	0.160	4	110.2229	0.136	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[6,6]-3:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]BrH)(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]HH)(H)	C[6,6](N[6,6]C[5,3x6]C)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]BrH)(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]HH)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](N[6,6]C[5,3x6]C)(C[3x6]C[6,6]2H)(H)2{1|Br<1>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	109.7220	0.000	1	109.6070	0.026	2	109.6070	0.026	2	110.2229	0.136	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[6,6]-3:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]BrH)(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]HH)(H)	C[6,6](N[6,6]C[5,3x6]C)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]BrH)(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](N[6,6]C[5,3x6]C)(C[3x6]C[6,6]2H)(H)2{1|Br<1>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	109.4920	0.000	1	109.6070	0.026	2	109.6070	0.026	2	110.2229	0.136	16	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	3:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6a]-3:C[3x6]-4:O[6]-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]O[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)(O[6]C[6])(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]O[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[3x6]C[6,6]3)	108.5850	0.000	1	108.5850	0.000	1	108.5850	0.000	1	108.5850	0.000	1	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	3:4:2:4:	4:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[5a,6]-3:C[3x6]-4:O[6]-2:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[5a,6]O[6]C)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[3x6]C[3x6]C[6]H)(O[6]C[6])(CH3)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[6,6]C[5a,6]O[6]C)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[3x6]C[3x6]C[6]H)(O[6]C[6])(CH3){2|C<3>,3|C<4>,6|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	105.8125	0.415	2	105.8125	0.172	2	105.8125	0.172	2	105.8125	0.172	2	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	3:4:3:1:	4:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[5a,6]-3:C[3x6]-4:N[6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5a,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[3x6]C[6]H)(N[6]C[6]C)(H)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[6,6]C[5a,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[3x6]C[6]H)(N[6]C[6]C)(H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.2330	1.179	2	107.2330	1.391	2	107.2330	1.391	2	107.6064	0.469	7	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	3:4:3:1:	4:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	N[5a,6]-3:C[3x6]-4:N[6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]N[5a,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]O[6]CH)(H)	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[3x6]C[6]H)(N[6]C[6]C)(H)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[6,6]N[5a,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]O[6]CH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[3x6]C[6]H)(N[6]C[6]C)(H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.3020	0.000	1	107.4085	0.023	2	107.4085	0.023	2	107.6064	0.469	7	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	3:4:3:1:	4:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	N[5a,6]-3:C[3x6]-4:N[6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]N[5a,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]O[6]CH)(H)	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[3x6]C[6]H)(N[6]C[6]C)(H)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[6,6]N[5a,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]O[6]CH)(H){2|H<1>,3|C<3>,3|C<4>}	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[3x6]C[6]H)(N[6]C[6]C)(H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.5150	0.000	1	107.4085	0.023	2	107.4085	0.023	2	107.6064	0.469	7	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5a,6]-3:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(H)	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]2H)(C[6]O[6]O)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]2H)(C[6]O[6]O)(H){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	H(C[3x6]C[6,6]3)	107.5500	0.000	1	107.5500	0.000	1	107.5500	0.000	1	107.6064	0.469	7	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5a,6]-3:C[3x6]-4:N[6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[3x6]C[6,6]2H)(N[6]C[6]H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[3x6]C[6,6]2H)(N[6]C[6]H)(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	107.8050	0.000	1	107.8050	0.000	1	107.8050	0.000	1	107.6064	0.469	7	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6a]-3:C[3x6]-4:N[6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]O[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)(N[6]C[6,6a]H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]O[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)(N[6]C[6,6a]H)(H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6]3)	108.6070	0.000	1	108.6070	0.000	1	108.6070	0.000	1	107.6064	0.469	7	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HP)(H)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(H){1|P<4>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HP)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	108.1850	0.000	1	108.1850	0.000	1	108.1850	0.000	1	107.6638	5.820	6	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[5a,6]-3:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5a,6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[5a,6]N[5a,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6]O[6]HH)(H)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[6,6]C[5a,6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|N<3>,6|H<1>}	C[6,6](C[5a,6]N[5a,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6]O[6]HH)(H){2|C<3>,3|H<1>,4|C<4>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.4170	0.000	1	107.4170	0.000	1	107.4170	0.000	1	107.6638	5.820	6	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-3:C[3x6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[5,4x6]O)(C[3x6]C[6,6]2H)(CH3)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[5,4x6]O)(C[3x6]C[6,6]2H)(CH3)(H){3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.2745	0.182	2	110.2745	0.033	2	110.2745	0.033	2	107.6638	5.820	6	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[5,6]-3:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]N[5,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6]2H)(H)	C[6,6](N[5,6]C[5,6]N[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]N[5,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6]2H)(H){1|N<3>,3|C<4>,7|H<1>}	C[6,6](N[5,6]C[5,6]N[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	104.9160	0.000	2	104.9160	0.000	2	104.9160	0.000	2	107.6638	5.820	6	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	3:4:4:3:	4:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[5a,6]-3:C[3x6]-4:C[6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[5a,6]C[6]C)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[5a,6]N[5a,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6]O[6]HH)(COO)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[6,6]C[5a,6]C[6]C)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|N<3>,6|H<1>}	C[6,6](C[5a,6]N[5a,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6]O[6]HH)(COO){2|C<3>,3|H<1>,4|C<4>}	H(C[3x6]C[3x6]C[6,6]C[6])	108.0260	0.000	1	108.0260	0.000	1	108.0260	0.000	1	108.0260	0.000	1	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:2:1:1:	4:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:O[6,6]-2:F-1:H-1:	C[3x6]-4:	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]O[6,6]FH)(C[6,6]O[6,6]HH)(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(O[6,6]C[3x6])(F)(H)	H(C[3x6]C[3,6,6]C[6,6]2)	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]O[6,6]FH)(C[6,6]O[6,6]HH)(H){1|C<4>,1|H<1>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(O[6,6]C[3x6])(F)(H){1|C<4>,2|O<2>,4|H<1>}	H(C[3x6]C[3,6,6]C[6,6]2)	109.1070	0.000	1	109.1070	0.000	1	109.1070	0.000	1	111.1776	3.420	9	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:2:1:1:	4:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]O[6,6]FH)(C[6,6]O[6,6]HH)(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(O[6,6]C[3x6])(H)2	H(C[3x6]C[3,6,6]C[6,6]2)	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]O[6,6]FH)(C[6,6]O[6,6]HH)(H){1|C<4>,1|H<1>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(O[6,6]C[3x6])(H)2{1|C<4>,1|F<1>,2|O<2>,3|H<1>}	H(C[3x6]C[3,6,6]C[6,6]2)	112.0950	0.000	1	112.0950	0.000	1	112.0950	0.000	1	111.1776	3.420	9	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:2:1:1:	4:	C[4,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:	C[3x6](C[4,3x6]C[4,5,6]C[4,6,6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[4,3x6]C[6]H)(O[6,6]C[4,5,6,6])(H)2	H(C[3x6]C[4,3x6]C[6,6]C[6])	C[3x6](C[4,3x6]C[4,5,6]C[4,6,6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[4,3x6]C[6]H)(O[6,6]C[4,5,6,6])(H)2{3|H<1>,4|C<4>}	H(C[3x6]C[4,3x6]C[6,6]C[6])	107.9340	0.000	1	107.9340	0.000	1	107.9340	0.000	1	111.1776	3.420	9	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:O[6,6]-2:F-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]O[6,6]FH)(C[6,6]O[6,6]HH)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(F)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]O[6,6]FH)(C[6,6]O[6,6]HH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(F)(H){1|C<4>,2|O<2>,4|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	112.2733	1.896	3	112.2733	3.596	3	112.2733	3.596	3	111.1776	3.420	9	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]O[6,6]FH)(C[6,6]O[6,6]HH)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]O[6,6]FH)(C[6,6]O[6,6]HH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(H)2{1|C<4>,1|F<1>,2|O<2>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.5473	0.502	3	111.5473	0.252	3	111.5473	0.252	3	111.1776	3.420	9	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:2:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:O[6,6]-2:C-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[4x6]HO)(C[6,6]O[6,6]CH)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(O[6,6]C[4x6])(CH3)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[4x6]HO)(C[6,6]O[6,6]CH)(H){1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(O[6,6]C[4x6])(CH3)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	110.4390	0.000	1	110.4390	0.000	1	110.4390	0.000	1	108.5070	1.900	4	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:2:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:O[6]-2:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5a,6]C[6,6a]C)(C[6,6]C[6]O[6]H)2(H)	C[6,6](C[3x6]C[6,6]2H)(O[6]C[5a,6])(C[6]C[6]HH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5a,6]C[6,6a]C)(C[6,6]C[6]O[6]H)2(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(O[6]C[5a,6])(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	107.5480	0.000	1	107.5480	0.000	1	107.8630	0.361	3	108.5070	1.900	4	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:2:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:O[6]-2:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5a,6]C[6,6a]C)(C[6,6]C[6]O[6]H)2(H)	C[6,6](C[3x6]C[6,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5a,6]C[6,6a]C)(C[6,6]C[6]O[6]H)2(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[3x6]C[6,6]3)	107.4850	0.000	1	107.4850	0.000	1	107.8630	0.361	3	108.5070	1.900	4	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:2:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:O[6]-2:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]O[6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(O[6]C[6,6a])(C[6]C[6]HO)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]O[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6]2H)(O[6]C[6,6a])(C[6]C[6]HO)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[3x6]C[6,6]3)	108.5560	0.000	1	108.5560	0.000	1	107.8630	0.361	3	108.5070	1.900	4	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:2:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:O[6,6]-2:C-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]O[6,6]CC)(H)	C[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(CH3)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]O[6,6]CC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(CH3)2{3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.0150	0.000	1	107.5760	11.897	2	107.5760	11.897	2	107.5760	11.897	2	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:2:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:O[6,6]-2:C-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]O[6,6]CC)(H)	C[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(CH3)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]O[6,6]CC)(H){1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(CH3)2{3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	105.1370	0.000	1	107.5760	11.897	2	107.5760	11.897	2	107.5760	11.897	2	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(H)2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]HH)2(H){1|N<3>,1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(H)2{3|H<1>,4|C<4>}	H(C[3x6]C[3x6]C[6,6]2)	108.9175	0.462	2	108.9175	0.213	2	108.9175	0.213	2	109.2158	4.041	41	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]N)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]N)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	110.3910	0.000	1	110.3910	0.000	1	109.9613	0.138	3	109.2158	4.041	41	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	109.7465	0.006	2	109.7465	0.000	2	109.9613	0.138	3	109.2158	4.041	41	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<4>,1|N<3>,2|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2)(H)2{1|C<3>,1|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	107.8730	0.721	2	108.6890	7.560	14	108.6890	7.560	14	109.2158	4.041	41	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2)(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	108.8250	2.957	12	108.6890	7.560	14	108.6890	7.560	14	109.2158	4.041	41	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]O)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]HH)(H){1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]O)(H)2{3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.0710	0.000	1	110.0710	0.000	1	110.1482	0.123	6	109.2158	4.041	41	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,1|O<1>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2{3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	109.7560	0.000	1	109.7560	0.000	1	110.1482	0.123	6	109.2158	4.041	41	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	109.8850	0.000	1	109.8850	0.000	1	110.1482	0.123	6	109.2158	4.041	41	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	110.7570	0.000	1	110.5135	0.119	2	110.1482	0.123	6	109.2158	4.041	41	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.2700	0.000	1	110.5135	0.119	2	110.1482	0.123	6	109.2158	4.041	41	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){2|C<4>,3|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[3x6]C[6,6]3)	110.1500	0.000	1	110.1500	0.000	1	110.1482	0.123	6	109.2158	4.041	41	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:N[3x6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(H){1|C<3>,1|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{1|O<1>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.7510	0.000	1	109.8385	0.015	2	109.8385	0.015	2	109.2158	4.041	41	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:N[3x6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{2|C<3>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.9260	0.000	1	109.8385	0.015	2	109.8385	0.015	2	109.2158	4.041	41	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{2|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	109.6140	0.011	2	109.1368	3.878	14	109.1368	3.878	14	109.2158	4.041	41	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{2|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	109.6150	0.000	1	109.1368	3.878	14	109.1368	3.878	14	109.2158	4.041	41	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{2|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	110.1000	0.000	1	109.1368	3.878	14	109.1368	3.878	14	109.2158	4.041	41	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{2|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	108.0083	3.623	4	109.1368	3.878	14	109.1368	3.878	14	109.2158	4.041	41	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{2|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	109.7910	0.257	2	109.1368	3.878	14	109.1368	3.878	14	109.2158	4.041	41	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	107.8190	0.000	1	109.1368	3.878	14	109.1368	3.878	14	109.2158	4.041	41	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{2|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	109.6850	0.025	2	109.1368	3.878	14	109.1368	3.878	14	109.2158	4.041	41	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){2|C<4>,3|C<3>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{1|C<3>,1|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	110.1680	0.000	1	109.1368	3.878	14	109.1368	3.878	14	109.2158	4.041	41	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-3:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(OH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HO)(H){1|C<3>,1|N<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(OH)(H){2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.3937	0.101	6	110.3937	0.010	6	110.3937	0.010	6	110.3937	0.010	6	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:3:2:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]OO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]O)(OC)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]OO)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]O)(OC)2{3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	109.9290	0.000	1	110.0557	0.029	3	110.0557	0.029	3	110.0557	0.029	3	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:3:2:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]OO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]O)(OC)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]OO)(H){1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]O)(OC)2{3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.1190	0.182	2	110.0557	0.029	3	110.0557	0.029	3	110.0557	0.029	3	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:3:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-3:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]2H)(C[6]C[6]HI)(H)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]C)(H)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]2H)(C[6]C[6]HI)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>,3|O<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]C)(H){1|C<4>,1|I<1>,2|H<1>,4|C<3>}	H(C[3x6]C[3x6]C[6,6]C[6])	108.3890	0.000	1	108.3890	0.000	1	108.3890	0.000	1	108.9543	0.259	3	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:3:3:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:N[3x6]-3:C[6a]-3:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]O[6,6]H)(C[6,6]N[3x6]C[6a]H)(C[6]C[6a]N[6]H)(H)	C[6,6](C[3x6]C[4x6]C[6]H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]O[6,6]H)(C[6,6]N[3x6]C[6a]H)(C[6]C[6a]N[6]H)(H){2|H<1>,3|C<4>,4|C<3>}	C[6,6](C[3x6]C[4x6]C[6]H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,7|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	109.2370	0.195	2	109.2370	0.038	2	109.2370	0.038	2	108.9543	0.259	3	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:3:3:2:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-2:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6,6]N[6,6]N[6])(CN)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]2C)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6,6]N[6,6]N[6])(CN){1|C<2>,2|C<3>,4|H<1>,5|C<4>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.9055	0.349	2	107.9055	0.122	2	107.9055	0.122	2	107.8843	0.062	3	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:3:3:2:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-3:C[6]-3:C-2:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]N[6]N)(CN)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]N[6]N)(CN){1|C<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.8420	0.000	1	107.8420	0.000	1	107.8420	0.000	1	107.8843	0.062	3	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:3:3:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[5,6]-3:C[6]-3:C-4:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]C)(C[6,6]C[6]O[6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]O)(CH3)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]C)(C[6,6]C[6]O[6]H)(H){1|C<3>,1|O<1>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]O)(CH3){1|O<2>,4|H<1>,7|C<4>}	H(C[3x6]C[5,6,6]C[6,6]2)	104.1400	0.000	1	104.1400	0.000	1	104.1400	0.000	1	104.1400	0.000	1	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:N[6,6]-3:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]CH)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(CCHH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]CH)(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(CCHH)(H){2|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	109.7110	0.000	1	109.7110	0.000	1	109.7110	0.000	1	109.8355	0.031	2	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	C[3x6]-4:C[5a]-3:C[6,6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]CO)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]CO)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){1|O<1>,3|C<3>,3|H<1>,4|C<4>}	H(C[3x6]C[6,6]2N[6,6])	109.9600	0.000	1	109.9600	0.000	1	109.9600	0.000	1	109.8355	0.031	2	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:3:4:3:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO){2|C<3>,4|H<1>,5|C<4>}	H(C[3x6]C[6,6]2N[6,6])	110.2180	0.000	1	110.2180	0.000	1	110.2180	0.000	1	110.2180	0.000	1	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-3:C[6]-4:C-4:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6]C)(H)	C[6,6](C[3x6]C[3x6]2H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[3x6]C[3x6]2C[6,6])	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6]C)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6,6](C[3x6]C[3x6]2H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[3x6]C[3x6]2C[6,6])	105.3550	0.000	1	105.3550	0.000	1	105.3550	0.000	1	105.3550	0.000	1	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3,5,6,6]C[3,5,6]C[3,6]C[5])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[3,5,6,6]C[6,6]H)(C[6,6]C[6]2H)(H)2	H(C[3x6]C[3,5,6,6]C[6,6]2)	C[3x6](C[3,5,6,6]C[3,5,6]C[3,6]C[5])(C[6,6]C[6,6]HH)2(H){2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[3,5,6,6]C[6,6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[3x6]C[3,5,6,6]C[6,6]2)	109.3240	0.021	2	109.3240	0.000	2	109.3240	0.000	2	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6,6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[3,6,6]C[4x6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[3,6,6]C[4x6]C[6,6])	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(H){1|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[3,6,6]C[4x6]H)(C[6,6]C[3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[3x6]C[3,6,6]C[4x6]C[6,6])	110.4035	0.135	2	110.4035	0.018	2	110.4035	0.018	2	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3,6,6]C[3,3]2C[3x6])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[3,6,6]C[6,6]2)	C[3x6](C[3,6,6]C[3,3]2C[3x6])(C[6,6]C[3x6]HH)2(H){2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	H(C[3x6]C[3,6,6]C[6,6]2)	109.5740	0.113	6	109.5740	0.013	6	109.9475	0.137	46	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3,6,6]C[3,6,6]C[3x6]Se[3])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[3,6,6]C[6,6]2)	C[3x6](C[3,6,6]C[3,6,6]C[3x6]Se[3])(C[6,6]C[3x6]HH)2(H){3|H<1>,6|C<4>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|Se<3>,3|C<4>,6|H<1>}	H(C[3x6]C[3,6,6]C[6,6]2)	110.0899	0.161	7	110.0899	0.026	7	109.9475	0.137	46	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3,6,6]C[3x6]C[3]2)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[3,6,6]C[6,6]2)	C[3x6](C[3,6,6]C[3x6]C[3]2)(C[6,6]C[3x6]HH)2(H){2|C<2>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	H(C[3x6]C[3,6,6]C[6,6]2)	109.9253	1.055	4	109.9253	1.114	4	109.9475	0.137	46	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3,6,6]C[3x6]C[3]N[3])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2F)(H)2	H(C[3x6]C[3,6,6]C[6,6]2)	C[3x6](C[3,6,6]C[3x6]C[3]N[3])(C[6,6]C[3x6]HH)2(H){1|C<3>,1|F<1>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2F)(H)2{1|C<3>,1|N<2>,2|C<4>,6|H<1>}	H(C[3x6]C[3,6,6]C[6,6]2)	110.1460	0.023	2	110.1460	0.001	2	109.9475	0.137	46	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3,6,6]C[3x6]C[3]N[3])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[3,6,6]C[6,6]2)	C[3x6](C[3,6,6]C[3x6]C[3]N[3])(C[6,6]C[3x6]HH)2(H){1|C<3>,1|F<1>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<2>,2|C<4>,6|H<1>}	H(C[3x6]C[3,6,6]C[6,6]2)	110.1380	0.011	2	110.1380	0.000	2	109.9475	0.137	46	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3,6,6]C[3x6]C[3]S[3])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[3,6,6]C[6,6]2)	C[3x6](C[3,6,6]C[3x6]C[3]S[3])(C[6,6]C[3x6]HH)2(H){2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|S<2>,3|C<4>,6|H<1>}	H(C[3x6]C[3,6,6]C[6,6]2)	110.0650	0.069	10	110.0650	0.005	10	109.9475	0.137	46	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3,6,6]C[3x6]N[3]2)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[3,6,6]C[6,6]2)	C[3x6](C[3,6,6]C[3x6]N[3]2)(C[6,6]C[3x6]HH)2(H){1|Ru<6>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|N<3>,2|C<4>,6|H<1>}	H(C[3x6]C[3,6,6]C[6,6]2)	110.1211	0.294	7	110.1211	0.087	7	109.9475	0.137	46	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3,6,6]Si[3,4]C[3x6]O[3])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[3,6,6]C[6,6]2)	C[3x6](C[3,6,6]Si[3,4]C[3x6]O[3])(C[6,6]C[3x6]HH)2(H){1|Cl<1>,2|N<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|Si<5>,1|O<2>,2|C<4>,6|H<1>}	H(C[3x6]C[3,6,6]C[6,6]2)	109.6200	0.037	4	109.6200	0.001	4	109.9475	0.137	46	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3,6,6]Si[3,5]C[3x6]O[3])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[3,6,6]C[6,6]2)	C[3x6](C[3,6,6]Si[3,5]C[3x6]O[3])(C[6,6]C[3x6]HH)2(H){3|H<1>,5|C<4>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|Si<4>,1|O<2>,2|C<4>,6|H<1>}	H(C[3x6]C[3,6,6]C[6,6]2)	109.8160	0.136	4	109.8160	0.019	4	109.9475	0.137	46	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3,6,6]C[3,6,6]O[3]C)(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[5,4x6]HH)(H)2	H(C[3x6]C[3,6,6]C[6,6]2)	C[3x6](C[3,6,6]C[3,6,6]O[3]C)(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[5,4x6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[3x6]C[3,6,6]C[6,6]2)	110.2683	0.164	3	110.2683	0.027	3	110.2683	0.027	3	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3,6,6]C[3,6,6]O[3]C)(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[3,6,6]C[6,6]H)(H)2	H(C[3x6]C[3,6,6]C[6,6]2)	C[3x6](C[3,6,6]C[3,6,6]O[3]C)(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[3,6,6]C[6,6]H)(H)2{1|O<1>,2|H<1>,2|O<2>,5|C<4>}	H(C[3x6]C[3,6,6]C[6,6]2)	110.2897	0.175	3	110.2897	0.031	3	110.2897	0.031	3	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]2)(C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[3x6]C[4x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[3x6]C[4x6]C[6,6])	C[3x6](C[3x6]C[3x6]C[6]2)(C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(H){11|H<1>,1|C<3>,1|N<3>,1|O<2>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[4x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|H<1>,6|C<4>}	H(C[3x6]C[3x6]C[4x6]C[6,6])	104.4260	0.000	1	104.4260	0.000	1	104.4260	0.000	1	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[4,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4,3x6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[4,6,6]HH)(H)	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[3x6]C[3x6]C[5,6]H)(H)2	H(C[3x6]C[3x6]C[5,6]C[6,6])	C[3x6](C[3x6]C[4,3x6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[4,6,6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[3x6]C[3x6]C[5,6]H)(H)2{1|C<3>,4|C<4>,4|H<1>}	H(C[3x6]C[3x6]C[5,6]C[6,6])	106.4960	0.057	2	106.4960	0.003	2	106.4960	0.003	2	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]B[3x6]C[6]2)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]B[3x6]C[6]2)(C[6,6]C[3x6]HH)2(H){1|N<3>,5|C<4>,6|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|B<4>,3|C<4>,6|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	108.3220	0.246	2	108.3220	0.061	2	109.3183	0.301	51	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[3x6]HH)2(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	109.6510	1.105	4	109.2252	0.304	17	109.3183	0.301	51	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[3x6]HH)2(H){1|N<3>,4|C<4>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<2>,3|C<4>,6|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	109.0712	0.155	4	109.2252	0.304	17	109.3183	0.301	51	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[3x6]HH)2(H){1|Rh<4>,1|N<3>,4|C<4>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	109.1695	0.009	2	109.2252	0.304	17	109.3183	0.301	51	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[3x6]HH)2(H){5|C<4>,7|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	109.0859	0.167	7	109.2252	0.304	17	109.3183	0.301	51	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]N[6])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]N[6])(C[6,6]C[3x6]HH)2(H){1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,3|C<4>,6|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	109.4147	0.030	4	109.4147	0.001	4	109.3183	0.301	51	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]O[6]2)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]O[6]2)(C[6,6]C[3x6]HH)2(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{2|C<4>,2|O<2>,6|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	109.8407	0.052	3	109.7884	0.025	11	109.3183	0.301	51	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]O[6]2)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]O[6]2)(C[6,6]C[3x6]HH)2(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{2|C<4>,2|O<2>,6|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	109.6222	0.134	4	109.7884	0.025	11	109.3183	0.301	51	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]O[6]2)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]O[6]2)(C[6,6]C[3x6]HH)2(H){2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{2|C<4>,2|O<2>,6|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	109.9153	0.039	4	109.7884	0.025	11	109.3183	0.301	51	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]S[6]2)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]S[6]2)(C[6,6]C[3x6]HH)2(H){3|H<1>,5|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{2|C<4>,2|S<2>,6|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	109.4567	0.069	7	109.4567	0.005	7	109.3183	0.301	51	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2C)(H)2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(H){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2C)(H)2{1|H<1>,2|O<1>,5|C<4>}	H(C[3x6]C[3x6]C[6,6]2)	107.7325	0.040	2	107.7325	0.002	2	109.3183	0.301	51	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[3x6]HH)2(H){1|C<3>,3|H<1>,5|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{3|C<4>,7|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	109.2295	0.016	2	109.2295	0.000	2	109.3183	0.301	51	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]N[6]C)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[4x6]N[6]C)(C[6,6]C[3x6]HH)2(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,3|C<4>,6|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	109.4400	0.007	2	109.4400	0.000	2	109.3183	0.301	51	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6a]C[3x6]O[6])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[6,6a]C[3x6]O[6])(C[6,6]C[3x6]HH)2(H){3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	109.3568	0.073	4	109.3568	0.005	4	109.3183	0.301	51	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]2Cr)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]2Cr)(C[6,6]C[6,6]HH)2(H){4|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|Cr<9>,3|C<4>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	110.2022	1.338	6	110.2022	1.789	6	109.6404	1.697	11	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]BrH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]BrH)(C[6,6]C[6,6]HH)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2{1|Br<1>,3|C<4>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	110.1780	0.000	1	110.1780	0.000	1	109.6404	1.697	11	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	109.8720	0.000	1	109.8720	0.000	1	109.6404	1.697	11	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6]O[6]C)(H)2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H){1|O<1>,1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6]O[6]C)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	108.0590	0.000	1	108.0590	0.000	1	109.6404	1.697	11	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]HH)2(H){1|N<3>,1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	108.3610	0.110	2	108.3610	0.012	2	109.6404	1.697	11	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[5,4x6]C[6]C)(C[6,6]C[4x6]HH)(C[6,6]N[3x6]HH)(H)	C[6,6](C[4x6]C[5,3x6]C[3x6]H)(C[3x6]C[3x6]C[6,6]H)(H)2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[5,4x6]C[6]C)(C[6,6]C[4x6]HH)(C[6,6]N[3x6]HH)(H){3|H<1>,5|C<4>}	C[6,6](C[4x6]C[5,3x6]C[3x6]H)(C[3x6]C[3x6]C[6,6]H)(H)2{1|N<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[3x6]C[3x6]C[6,6]2)	109.4730	0.000	1	109.4730	0.000	1	109.4730	0.000	1	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:Br-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]BrH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[3x6]C[6,6]H)(Br)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]BrH)(C[6,6]C[6,6]HH)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[3x6]C[6,6]H)(Br)(H){4|C<4>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	110.2550	0.000	1	110.2550	0.000	1	110.2550	0.000	1	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[4,6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(C[6]C[6,6a]HH)(H)	C[6,6](C[3x6]C[3x6]C[6]H)(C[4,6,6]C[4,6]2H)(H)2	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(C[6]C[6,6a]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[4,6,6]C[4,6]2H)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	106.5640	0.839	2	106.5640	0.703	2	106.5640	0.703	2	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4,3x6]C[4,6,6]C[4,6]C)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[4,3x6]C[6]H)(C[6,6]C[4,6,6]HH)(H)2	H(C[3x6]C[4,3x6]C[6,6]C[6])	C[3x6](C[4,3x6]C[4,6,6]C[4,6]C)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[4,3x6]C[6]H)(C[6,6]C[4,6,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[3x6]C[4,3x6]C[6,6]C[6])	108.0475	0.220	2	108.0797	0.027	3	108.1865	0.064	4	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4,3x6]C[4,6,6]C[4,6]C)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[4,3x6]C[6]H)(C[6,6]C[4,6,6]HH)(H)2	H(C[3x6]C[4,3x6]C[6,6]C[6])	C[3x6](C[4,3x6]C[4,6,6]C[4,6]C)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[4,3x6]C[6]H)(C[6,6]C[4,6,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[3x6]C[4,3x6]C[6,6]C[6])	108.1440	0.000	1	108.0797	0.027	3	108.1865	0.064	4	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4,3x6]C[4,6,6]C[4,6]H)(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H)	C[6,6](C[3x6]C[4,3x6]C[6]H)(C[6,6]C[4,6,6]HH)(H)2	H(C[3x6]C[4,3x6]C[6,6]C[6])	C[3x6](C[4,3x6]C[4,6,6]C[4,6]H)(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H){1|S<4>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[4,3x6]C[6]H)(C[6,6]C[4,6,6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[3x6]C[4,3x6]C[6,6]C[6])	108.5070	0.000	1	108.5070	0.000	1	108.1865	0.064	4	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4,6,6]C[3x6]S[4]2)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[4,6,6]C[6,6]2)	C[3x6](C[4,6,6]C[3x6]S[4]2)(C[6,6]C[3x6]HH)2(H){3|H<1>,4|C<4>}	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{2|C<4>,2|S<2>,6|H<1>}	H(C[3x6]C[4,6,6]C[6,6]2)	109.7260	0.054	3	109.7260	0.003	3	109.8987	0.214	14	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4,6,6]C[4,3x6]C[4]H)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[4,6,6]C[6,6]2)	C[3x6](C[4,6,6]C[4,3x6]C[4]H)(C[6,6]C[3x6]HH)2(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{3|C<4>,7|H<1>}	H(C[3x6]C[4,6,6]C[6,6]2)	110.9550	0.004	2	110.4405	0.362	4	109.8987	0.214	14	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4,6,6]C[4,3x6]C[4]H)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[4,6,6]C[6,6]2)	C[3x6](C[4,6,6]C[4,3x6]C[4]H)(C[6,6]C[3x6]HH)2(H){3|H<1>,5|C<4>}	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{3|C<4>,7|H<1>}	H(C[3x6]C[4,6,6]C[6,6]2)	109.9260	0.167	2	110.4405	0.362	4	109.8987	0.214	14	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4,6,6]C[4,6,6]C[3x6]O[4])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2C)(H)2	H(C[3x6]C[4,6,6]C[6,6]2)	C[3x6](C[4,6,6]C[4,6,6]C[3x6]O[4])(C[6,6]C[3x6]HH)2(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2C)(H)2{1|O<2>,3|C<4>,6|H<1>}	H(C[3x6]C[4,6,6]C[6,6]2)	109.6230	0.007	2	109.6230	0.000	2	109.8987	0.214	14	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4,6,6]C[4,6,6]C[3x6]O[4])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[4,6,6]C[6,6]2)	C[3x6](C[4,6,6]C[4,6,6]C[3x6]O[4])(C[6,6]C[3x6]HH)2(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|O<2>,3|C<4>,6|H<1>}	H(C[3x6]C[4,6,6]C[6,6]2)	109.6090	0.016	2	109.6792	0.007	5	109.8987	0.214	14	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4,6,6]C[4,6,6]C[3x6]O[4])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[4,6,6]C[6,6]2)	C[3x6](C[4,6,6]C[4,6,6]C[3x6]O[4])(C[6,6]C[3x6]HH)2(H){1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|O<2>,3|C<4>,6|H<1>}	H(C[3x6]C[4,6,6]C[6,6]2)	109.7260	0.073	3	109.6792	0.007	5	109.8987	0.214	14	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:Br-1:H-1:	C[3x6]-4:	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]BrH)(Br)(H)	H(C[3x6]C[4,6,6]C[6,6]2)	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H){2|Br<1>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]BrH)(Br)(H){3|C<4>,4|H<1>}	H(C[3x6]C[4,6,6]C[6,6]2)	111.2915	0.825	2	111.2915	0.681	2	111.2915	0.681	2	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4,6,6]C[4,5,6,6]O[4]H)(C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[3x6]C[4,6,6]C[6,6]2)	C[3x6](C[4,6,6]C[4,5,6,6]O[4]H)(C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(H){3|C<4>,4|H<1>}	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[3x6]C[4,6,6]C[6,6]2)	110.8510	0.000	1	110.8510	0.000	1	111.0717	0.335	3	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[4,6,6]C[6,6]2)	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H){2|Br<1>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|Br<1>,3|C<4>,3|H<1>}	H(C[3x6]C[4,6,6]C[6,6]2)	111.1820	0.772	2	111.1820	0.596	2	111.0717	0.335	3	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[5,6,6]C[6,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[4x6]C[6,6]H)(H)2	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[5,6,6]C[6,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){2|C<3>,4|C<4>,8|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[4x6]C[6,6]H)(H)2{1|H<1>,2|C<3>,6|C<4>}	H(C[3x6]C[4x6]C[6,6]2)	106.1165	0.212	4	106.1165	0.045	4	105.5549	0.280	21	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){10|H<1>,1|C<3>,4|C<4>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|H<1>,6|C<4>}	H(C[3x6]C[4x6]C[6,6]2)	104.8960	0.000	1	105.4227	0.244	17	105.5549	0.280	21	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){10|H<1>,1|C<3>,4|C<4>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|O<1>,1|O<2>,7|C<4>}	H(C[3x6]C[4x6]C[6,6]2)	105.2120	0.000	1	105.4227	0.244	17	105.5549	0.280	21	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){10|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,6|C<4>}	H(C[3x6]C[4x6]C[6,6]2)	105.0350	0.000	1	105.4227	0.244	17	105.5549	0.280	21	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){10|H<1>,5|C<4>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|O<2>,2|H<1>,7|C<4>}	H(C[3x6]C[4x6]C[6,6]2)	104.8380	0.000	1	105.4227	0.244	17	105.5549	0.280	21	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,6|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|H<1>,5|C<4>}	H(C[3x6]C[4x6]C[6,6]2)	104.5810	0.000	1	105.4227	0.244	17	105.5549	0.280	21	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<1>,4|C<4>,8|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|H<1>,5|C<4>}	H(C[3x6]C[4x6]C[6,6]2)	105.4630	0.000	1	105.4227	0.244	17	105.5549	0.280	21	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){1|C<3>,5|C<4>,8|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,7|C<4>}	H(C[3x6]C[4x6]C[6,6]2)	105.4800	0.000	1	105.4227	0.244	17	105.5549	0.280	21	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){1|C<3>,5|C<4>,8|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|H<1>,6|C<4>}	H(C[3x6]C[4x6]C[6,6]2)	105.9923	0.204	3	105.4227	0.244	17	105.5549	0.280	21	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){1|O<2>,5|C<4>,9|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|O<2>,2|H<1>,7|C<4>}	H(C[3x6]C[4x6]C[6,6]2)	104.9330	0.201	2	105.4227	0.244	17	105.5549	0.280	21	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){2|C<3>,4|C<4>,8|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|H<1>,6|C<4>}	H(C[3x6]C[4x6]C[6,6]2)	105.5315	0.019	2	105.4227	0.244	17	105.5549	0.280	21	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){2|C<3>,4|C<4>,8|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,2|C<3>,6|C<4>}	H(C[3x6]C[4x6]C[6,6]2)	105.9250	0.116	3	105.4227	0.244	17	105.5549	0.280	21	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:Br-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]BrH)(Br)(H)	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H){1|Br<1>,1|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]BrH)(Br)(H){3|C<4>,4|H<1>}	H(C[3x6]C[4x6]C[6,6]2)	109.5855	0.120	2	109.5855	0.014	2	109.5855	0.014	2	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H){1|Br<1>,1|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|Br<1>,3|C<4>,3|H<1>}	H(C[3x6]C[4x6]C[6,6]2)	109.6040	0.041	2	109.6040	0.002	2	109.6040	0.002	2	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(C[6]C[3x6]HH)(H)	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(C[6]C[3x6]HH)(H){2|C<3>,3|C<4>,3|H<1>,3|O<2>}	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	107.8810	0.000	1	107.8810	0.000	1	108.1055	1.112	40	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]CH)(H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]CH)(H){1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{3|H<1>,7|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	107.9750	0.000	1	107.9750	0.000	1	108.1055	1.112	40	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	108.6367	0.370	3	108.6367	0.137	3	108.1055	1.112	40	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6]C[6]CC)(H)	C[6,6](C[3x6]C[5,3x6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6]C[6]CC)(H){3|C<4>,3|O<2>,6|H<1>}	C[6,6](C[3x6]C[5,3x6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2{1|C<3>,7|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	105.2720	0.000	1	105.2720	0.000	1	108.1055	1.112	40	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]Cl)(C[6,6]C[3x6]HH)(C[6]O[6]HH)(H)	C[6,6](C[3x6]C[6,6]N[6,6]Cl)(C[3x6]C[4x6]C[6]H)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]Cl)(C[6,6]C[3x6]HH)(C[6]O[6]HH)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]Cl)(C[3x6]C[4x6]C[6]H)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	110.6810	0.000	1	110.6810	0.000	1	108.1055	1.112	40	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6,6a]CH)(H)	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[3x6]C[4x6]C[6]H)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6,6a]CH)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[3x6]C[4x6]C[6]H)(H)2{2|C<4>,4|C<3>,4|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	108.2100	0.000	1	108.2100	0.000	1	108.1055	1.112	40	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6,6a]HH)(H)	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[3x6]C[4x6]C[6]H)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[3x6]C[4x6]C[6]H)(H)2{1|C<4>,4|C<3>,5|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	108.2435	0.206	2	108.2435	0.042	2	108.1055	1.112	40	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|I<1>,2|C<4>,6|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	109.2460	0.000	1	109.2460	0.000	1	108.1055	1.112	40	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]N[6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]N[6]HH)(H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	108.4215	0.040	2	108.4215	0.002	2	108.1055	1.112	40	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]O[6,6]O)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]O[6,6]O)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|O<1>,2|C<4>,2|O<2>,4|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	108.7195	0.019	2	108.7195	0.000	2	108.1055	1.112	40	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2{4|C<4>,4|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	107.7545	0.165	2	107.7545	0.027	2	108.1055	1.112	40	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	108.6995	0.308	2	108.8141	0.043	8	108.1055	1.112	40	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	108.8523	0.184	6	108.8141	0.043	8	108.1055	1.112	40	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[5,6,6]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[5,6,6]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	108.3037	0.714	4	108.3037	0.510	4	108.1055	1.112	40	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6,6a]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6]C[6]CC)(H)	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6,6a]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2{2|C<3>,5|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	105.3660	0.085	2	105.3660	0.007	2	108.1055	1.112	40	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	108.0850	0.000	1	108.0850	0.000	1	108.1055	1.112	40	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,8|H<1>}	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	108.2870	0.000	1	107.5678	0.233	6	108.1055	1.112	40	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	107.9510	0.000	1	107.5678	0.233	6	108.1055	1.112	40	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,4|C<4>,4|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	107.1410	0.000	1	107.5678	0.233	6	108.1055	1.112	40	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<1>,5|H<1>}	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	107.6470	0.000	1	107.5678	0.233	6	108.1055	1.112	40	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,4|C<4>,4|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	107.3100	0.000	1	107.5678	0.233	6	108.1055	1.112	40	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,8|H<1>}	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|O<1>,4|C<4>,4|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	107.0710	0.000	1	107.5678	0.233	6	108.1055	1.112	40	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[6,6]S[6,6]C)(C[3x6]C[4x6]C[6]H)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|O<1>,1|S<3>,3|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]S[6,6]C)(C[3x6]C[4x6]C[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	107.4085	0.151	2	107.4085	0.023	2	108.1055	1.112	40	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[5x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]O[6,6]2C[6])(C[6,6]C[5x6]HH)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[5x6]C[4x6]2C[6])(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]O[6,6]2C[6])(C[6,6]C[5x6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[4x6]C[6]H)(C[5x6]C[4x6]2C[6])(H)2{1|C<3>,3|O<2>,4|H<1>,5|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	109.9270	0.000	1	109.9270	0.000	1	109.9270	0.000	1	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5,6]CC)(H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[3x6]C[4x6]C[6]H)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5,6]CC)(H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[3x6]C[4x6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,6|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	106.6800	0.000	1	106.4373	0.044	3	107.1801	2.392	11	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5,6]CC)(H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[3x6]C[4x6]C[6]H)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5,6]CC)(H){1|C<3>,1|O<1>,2|C<4>,2|N<3>,4|H<1>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[3x6]C[4x6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,6|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	106.3160	0.000	2	106.4373	0.044	3	107.1801	2.392	11	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5a,6]CC)(H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[3x6]C[4x6]C[6]H)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5a,6]CC)(H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,3|H<1>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[3x6]C[4x6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,5|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	106.2820	0.157	4	106.3738	0.061	5	107.1801	2.392	11	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5a,6]CC)(H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[3x6]C[4x6]C[6]H)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5a,6]CC)(H){1|C<4>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[3x6]C[4x6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,5|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	106.7410	0.000	1	106.3738	0.061	5	107.1801	2.392	11	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[6,6a]HH)(H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[3x6]C[4x6]C[6]H)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[3x6]C[4x6]C[6]H)(H)2{1|N<2>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	111.1790	0.000	1	111.1790	0.000	1	107.1801	2.392	11	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[6]HH)(H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[3x6]C[4x6]C[6]H)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[3x6]C[4x6]C[6]H)(H)2{1|C<3>,1|N<2>,2|O<2>,3|C<4>,4|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	108.3105	0.375	2	108.3105	0.141	2	107.1801	2.392	11	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(H)	C[6,6](C[3,6,6]C[3,5,6]N[3,5,6]H)(C[3x6]C[5,3x6]C[6,6]H)(H)2	H(C[3x6]C[5,3x6]C[6,6]2)	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(H){10|H<1>,1|N<4>,4|C<4>}	C[6,6](C[3,6,6]C[3,5,6]N[3,5,6]H)(C[3x6]C[5,3x6]C[6,6]H)(H)2{1|H<1>,7|C<4>}	H(C[3x6]C[5,3x6]C[6,6]2)	105.3100	0.000	1	105.3100	0.000	1	105.3100	0.000	1	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3,6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(H)	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[3,6,6]C[3,5,6]2H)(H)2	H(C[3x6]C[5,3x6]C[6,6]2)	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(H){10|H<1>,5|C<4>}	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[3,6,6]C[3,5,6]2H)(H)2{1|H<1>,7|C<4>}	H(C[3x6]C[5,3x6]C[6,6]2)	104.6870	0.000	1	104.6870	0.000	1	104.6870	0.000	1	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,4x6]C[5,6,6]N[5,6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]HO)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[3x6]C[5,4x6]C[6]H)(H)2	H(C[3x6]C[5,4x6]C[6,6]C[6])	C[3x6](C[5,4x6]C[5,6,6]N[5,6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]HO)(H){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[3x6]C[5,4x6]C[6]H)(H)2{1|C<4>,2|C<3>,2|N<3>,2|O<2>,3|H<1>}	H(C[3x6]C[5,4x6]C[6,6]C[6])	108.2860	0.000	1	108.2860	0.000	1	108.0953	0.889	7	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]CO)(H)	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2	H(C[3x6]C[5,4x6]C[6,6]C[6])	C[3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]CO)(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2{1|C<4>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	H(C[3x6]C[5,4x6]C[6,6]C[6])	106.7740	0.008	2	106.7740	0.000	2	108.0953	0.889	7	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]HO)(H)	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2	H(C[3x6]C[5,4x6]C[6,6]C[6])	C[3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]HO)(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2{1|C<4>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	H(C[3x6]C[5,4x6]C[6,6]C[6])	108.9200	0.000	1	108.7083	0.101	4	108.0953	0.889	7	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]HO)(H)	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2	H(C[3x6]C[5,4x6]C[6,6]C[6])	C[3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]HO)(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2{1|O<2>,2|C<3>,2|N<3>,4|H<1>}	H(C[3x6]C[5,4x6]C[6,6]C[6])	108.7780	0.000	1	108.7083	0.101	4	108.0953	0.889	7	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]HO)(H)	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2	H(C[3x6]C[5,4x6]C[6,6]C[6])	C[3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]HO)(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2{1|O<2>,2|N<3>,3|C<3>,3|H<1>}	H(C[3x6]C[5,4x6]C[6,6]C[6])	108.2410	0.000	1	108.7083	0.101	4	108.0953	0.889	7	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]HO)(H)	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2	H(C[3x6]C[5,4x6]C[6,6]C[6])	C[3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]HO)(H){1|C<4>,1|O<2>,6|C<3>}	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2{1|O<2>,2|N<3>,3|C<3>,3|H<1>}	H(C[3x6]C[5,4x6]C[6,6]C[6])	108.8940	0.000	1	108.7083	0.101	4	108.0953	0.889	7	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,5,3x6]C[5,5,3x6]O[5,5]O[5,6])(C[6,6]C[5,6,6]HH)(C[6,6]C[3x6]HO)(H)	C[6,6](C[3x6]C[5,5,3x6]C[6,6]H)(C[5,6,6]C[5,4x6]C[5]H)(H)2	H(C[3x6]C[5,5,3x6]C[6,6]2)	C[3x6](C[5,5,3x6]C[5,5,3x6]O[5,5]O[5,6])(C[6,6]C[5,6,6]HH)(C[6,6]C[3x6]HO)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3x6]C[5,5,3x6]C[6,6]H)(C[5,6,6]C[5,4x6]C[5]H)(H)2{1|H<1>,4|C<4>,5|O<2>}	H(C[3x6]C[5,5,3x6]C[6,6]2)	110.8790	0.000	1	110.8790	0.000	1	110.8790	0.000	1	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[3x6]C[5]2)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[3x6]C[5]2)(C[6,6]C[3x6]HH)2(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	110.9140	1.457	4	110.9140	2.122	4	110.0098	1.467	18	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[3x6]S[5]2)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[3x6]S[5]2)(C[6,6]C[3x6]HH)2(H){1|S<2>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{2|C<4>,2|S<2>,6|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	109.7710	0.071	7	109.7710	0.005	7	110.0098	1.467	18	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,3x6]C[5,5]H)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,3x6]C[5,5]H)(C[6,6]C[3x6]HH)2(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{3|C<4>,7|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	110.1545	0.045	2	110.1545	0.002	2	110.0098	1.467	18	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[5,6]N[4x6]H)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[5,6]N[4x6]H)(H)2{1|N<2>,2|H<1>,5|C<4>}	H(C[3x6]C[5,6,6]C[6,6]2)	110.9210	0.000	1	110.9210	0.000	1	110.0098	1.467	18	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,3x6]N[5]H)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,3x6]N[5]H)(C[6,6]C[3x6]HH)2(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,2|C<4>,7|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	108.3500	2.910	2	108.3500	8.471	2	110.0098	1.467	18	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,3x6]O[5]C)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,3x6]O[5]C)(C[6,6]C[3x6]HH)2(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|O<2>,3|C<4>,6|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	110.0965	0.005	2	110.0965	0.000	2	110.0098	1.467	18	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2{2|F<1>,4|C<4>,4|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	109.7330	0.000	1	109.8410	0.023	2	109.8410	0.023	2	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|F<1>,4|C<4>,5|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	109.9490	0.000	1	109.8410	0.023	2	109.8410	0.023	2	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2{3|C<4>,4|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	109.8640	0.000	1	109.9045	0.003	2	110.5343	0.484	27	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2{3|C<4>,4|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	109.9450	0.000	1	109.9045	0.003	2	110.5343	0.484	27	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]2Li)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]2Li)(C[6,6]C[6,6]HH)2(H){4|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|Li<7>,3|C<4>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.4735	0.092	4	111.4735	0.008	4	110.5343	0.484	27	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]N)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]N)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	110.3510	0.000	1	110.3510	0.000	1	110.5343	0.484	27	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	110.1450	0.004	2	110.1450	0.000	2	110.5343	0.484	27	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	109.9630	0.007	2	110.2668	0.280	12	110.5343	0.484	27	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	110.0619	0.071	8	110.2668	0.280	12	110.5343	0.484	27	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.3905	0.040	2	110.2668	0.280	12	110.5343	0.484	27	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]Li)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]Li)(C[6,6]C[6,6]HH)2(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|Li<7>,3|C<4>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.3525	0.026	4	111.3525	0.001	4	110.5343	0.484	27	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	109.7350	0.017	2	109.7350	0.000	2	110.5343	0.484	27	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]S[5]2)(C[6,6]C[5,6,6]HH)2(H)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]C)(C[3x6]C[5,6,6]C[6,6]H)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]S[5]2)(C[6,6]C[5,6,6]HH)2(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,4|C<4>}	C[6,6](C[5,6,6]C[5,5,3x6]C[5]C)(C[3x6]C[5,6,6]C[6,6]H)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>,2|S<2>}	H(C[3x6]C[5,6,6]C[6,6]2)	109.5660	0.000	1	109.5660	0.000	1	109.5910	0.001	2	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]S[5]2)(C[6,6]C[5,6,6]HH)2(H)	C[6,6](C[5,6,6]C[5,5,3x6]N[5]H)(C[3x6]C[5,6,6]C[6,6]H)(H)2	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]S[5]2)(C[6,6]C[5,6,6]HH)2(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,4|C<4>}	C[6,6](C[5,6,6]C[5,5,3x6]N[5]H)(C[3x6]C[5,6,6]C[6,6]H)(H)2{2|C<4>,2|H<1>,2|S<2>,3|C<3>}	H(C[3x6]C[5,6,6]C[6,6]2)	109.6160	0.000	1	109.6160	0.000	1	109.5910	0.001	2	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6]C[5,6,6]N[5]H)(C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[4x6]C[5,6]C[6,6])	C[3x6](C[5,6]C[5,6,6]N[5]H)(C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(H){1|O<1>,1|S<4>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]C[4x6]C[5,6]C[6,6])	107.8013	0.961	3	107.8013	0.924	3	107.8013	0.924	3	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5x6]C[4x6]S[6,6]2)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[5x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[5x6]C[6,6]2)	C[3x6](C[5x6]C[4x6]S[6,6]2)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,2|S<2>,4|H<1>}	C[6,6](C[3x6]C[5x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,2|S<2>,3|H<1>}	H(C[3x6]C[5x6]C[6,6]2)	111.0585	0.191	4	111.0585	0.037	4	111.0585	0.037	4	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[4x6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[4x6]C[3x6]3)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[6,6]C[3x6]HH)2(C[4x6]C[3x6]3)(H){1|O<2>,4|H<1>,7|C<4>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	H(C[3x6]C[4x6]C[6,6]2)	108.3775	2.347	6	108.3775	5.509	6	108.3775	5.509	6	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	B[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H)	C[6,6](B[3x6]C[3x6]C[6,6]N[6])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H){1|N<3>,2|H<1>,3|C<4>}	C[6,6](B[3x6]C[3x6]C[6,6]N[6])(C[3x6]C[6,6]2H)(H)2{2|C<3>,4|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	110.6040	1.732	2	110.6040	3.001	2	109.9362	1.474	17	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	B[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H)	C[6,6](B[3x6]C[6,6]2N)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H){1|H<1>,1|N<4>,4|C<4>}	C[6,6](B[3x6]C[6,6]2N)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.3033	0.180	4	109.3033	0.033	4	109.9362	1.474	17	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	B[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H)	C[6,6](B[3x6]C[6,6]2N[3x6])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H){1|N<4>,2|H<1>,3|C<4>}	C[6,6](B[3x6]C[6,6]2N[3x6])(C[3x6]C[6,6]2H)(H)2{5|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.1370	0.048	3	109.1370	0.002	3	109.9362	1.474	17	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	B[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H)	C[6,6](B[3x6]C[6,6]2N[6])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H){1|N<3>,2|H<1>,3|C<4>}	C[6,6](B[3x6]C[6,6]2N[6])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.4600	0.472	2	109.4600	0.223	2	109.9362	1.474	17	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	B[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H)	C[6,6](B[3x6]C[6,6]2O[5])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H){1|O<3>,2|H<1>,3|C<4>}	C[6,6](B[3x6]C[6,6]2O[5])(C[3x6]C[6,6]2H)(H)2{4|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	110.6938	1.545	6	110.6938	2.388	6	109.9362	1.474	17	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H){1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|B<4>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	108.1630	0.501	2	108.1630	0.251	2	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H){1|H<1>,1|N<4>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{1|B<4>,1|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.3247	0.154	4	109.3247	0.024	4	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H){1|H<1>,1|N<4>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|B<4>,1|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.3095	0.182	4	108.8226	0.597	26	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H){1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|B<4>,1|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	108.8440	0.595	5	108.8226	0.597	26	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H){1|N<4>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|B<4>,1|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.1008	0.052	5	108.8226	0.597	26	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H){1|O<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|B<4>,1|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	108.5354	1.003	12	108.8226	0.597	26	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]AuH)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]AuH)(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Au<2>,2|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	109.3372	0.146	4	109.3372	0.021	4	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|H<1>,2|O<1>,5|C<4>}	H(C[3x6]C[6,6]3)	107.9610	0.875	2	107.9610	0.766	2	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(H){2|C<4>,4|C<3>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|O<2>,2|O<1>,4|C<4>}	H(C[3x6]C[6,6]3)	108.1075	0.104	2	108.1075	0.011	2	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(H){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{3|H<1>,7|C<4>}	H(C[3x6]C[6,6]3)	109.3770	0.000	1	109.3770	0.000	1	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2F)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(H){1|F<1>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2F)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.5245	0.476	2	109.5245	0.226	2	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(H){1|H<1>,2|N<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{4|H<1>,6|C<4>}	H(C[3x6]C[6,6]3)	108.3980	0.000	1	108.3980	0.000	1	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(H){1|F<1>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{4|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.4860	0.086	2	109.3199	0.096	12	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(H){1|H<1>,2|N<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{4|H<1>,6|C<4>}	H(C[3x6]C[6,6]3)	108.4160	0.000	1	109.3199	0.096	12	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.3834	0.131	9	109.3199	0.096	12	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)2(H){1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{3|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	108.4020	0.042	2	108.4020	0.002	2	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CN)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CN)(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,1|N<3>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.4582	0.093	25	109.4582	0.009	25	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<2>,1|O<2>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.6388	0.106	4	109.3719	0.769	52	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.2208	0.160	6	109.3719	0.769	52	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|O<2>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.3154	0.702	18	109.3719	0.769	52	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|O<3>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.4075	1.145	24	109.3719	0.769	52	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[3]H)(C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[3]H)(C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(H){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{1|H<1>,2|O<1>,5|C<4>}	H(C[3x6]C[6,6]3)	107.7930	0.000	1	107.7930	0.000	1	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[5]Al)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[5]Al)(C[6,6]C[3x6]HH)2(H){1|Ti<14>,3|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Al<4>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.2545	0.086	4	109.2545	0.007	4	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[5]C)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[5]C)(C[6,6]C[3x6]HH)2(H){1|Cr<8>,3|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{4|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.3433	0.045	3	109.3433	0.002	3	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[5]Ga)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[5]Ga)(C[6,6]C[3x6]HH)2(H){1|Ti<15>,3|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Ga<5>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.2560	0.042	3	109.2560	0.002	3	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[5]H)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[5]H)(C[6,6]C[3x6]HH)2(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,2|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	109.4125	0.182	4	109.3619	0.377	41	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[5]H)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[5]H)(C[6,6]C[3x6]HH)2(H){1|Ti<11>,3|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{3|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	109.4170	0.042	3	109.3619	0.377	41	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[5]H)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[5]H)(C[6,6]C[3x6]HH)2(H){1|Ti<12>,3|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{3|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	109.3401	0.717	30	109.3619	0.377	41	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[5]H)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[5]H)(C[6,6]C[3x6]HH)2(H){1|Ti<13>,3|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{3|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	109.4338	0.098	4	109.3619	0.377	41	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[5]Ti)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[5]Ti)(C[6,6]C[3x6]HH)2(H){3|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Ti<12>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.3687	1.015	18	109.4224	0.851	22	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[5]Ti)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[5]Ti)(C[6,6]C[3x6]HH)2(H){3|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Ti<13>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.6640	0.143	4	109.4224	0.851	22	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)2(H){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|O<1>,3|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	109.0410	0.000	1	109.0118	0.855	13	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)2(H){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{3|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	109.0480	0.000	1	109.0118	0.855	13	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)2(H){4|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{3|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	109.0059	1.013	11	109.0118	0.855	13	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[6]Cl)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[6]Cl)(C[6,6]C[3x6]HH)2(H){4|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Cl<1>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.4981	0.087	7	109.4981	0.008	7	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[6a]H)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[6a]H)(C[6,6]C[3x6]HH)2(H){3|C<3>,5|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	108.9682	0.267	4	108.9682	0.071	4	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[6a]N[5a])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[6a]N[5a])(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,1|N<3>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.1900	0.030	4	109.1900	0.001	4	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[6a]O)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[6a]O)(C[6,6]C[3x6]HH)2(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.1605	0.092	4	109.1605	0.008	4	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]FeO)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]FeO)(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Fe<6>,1|O<2>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.4111	0.168	8	109.4111	0.028	8	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HI)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HI)(C[6,6]C[6,6]HH)(H){1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|I<1>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	110.7860	0.000	1	110.7860	0.000	1	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<4>,5|H<1>}	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.5410	0.000	1	110.5410	0.000	1	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]HH)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|O<2>,2|H<1>,7|C<4>}	H(C[3x6]C[6,6]3)	109.5730	0.081	3	109.5730	0.007	3	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(H)	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(H){2|C<4>,2|H<1>,3|O<2>}	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[3x6]C[6,6]2H)(H)2{2|H<1>,2|O<2>,6|C<4>}	H(C[3x6]C[6,6]3)	109.8260	0.000	1	109.6993	0.017	3	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(H)	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(H){2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[3x6]C[6,6]2H)(H)2{2|H<1>,2|O<2>,6|C<4>}	H(C[3x6]C[6,6]3)	109.6360	0.095	2	109.6993	0.017	3	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]N[3x6]HH)(H)	C[6,6](C[3x6]C[4x6]C[5,6]C)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]N[3x6]HH)(H){1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[3x6]C[4x6]C[5,6]C)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|C<4>,2|N<3>,5|H<1>}	H(C[3x6]C[6,6]3)	109.6420	0.000	1	109.6420	0.000	1	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|N<2>,2|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	109.3817	0.045	3	109.4970	0.071	45	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|N<3>,2|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	109.5052	0.274	42	109.4970	0.071	45	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H){1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[3x6]C[6,6]2H)(H)2{1|N<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	109.6730	0.578	2	109.6730	0.335	2	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H){1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	109.6375	0.641	2	109.6375	0.411	2	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	109.6905	0.026	2	109.9546	0.596	58	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|O<2>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	110.7150	0.000	1	109.9546	0.596	58	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|O<2>,2|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	110.2050	0.762	2	109.9546	0.596	58	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|O<2>,2|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	109.6303	0.081	4	109.9546	0.596	58	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|O<2>,2|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	109.9661	0.818	49	109.9546	0.596	58	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HS)(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HS)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|S<2>,2|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	109.8755	0.209	4	109.8755	0.044	4	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]OO)(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]OO)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,2|O<2>,6|H<1>}	H(C[3x6]C[6,6]3)	109.9991	2.280	16	109.9991	5.197	16	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]SS)(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]SS)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,2|S<2>,6|H<1>}	H(C[3x6]C[6,6]3)	109.5670	0.087	7	109.5670	0.008	7	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[4x6]HH)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[4x6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.4090	0.018	2	109.4807	0.016	3	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[4x6]HH)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[4x6]HH)(H){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{3|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	109.6240	0.000	1	109.4807	0.016	3	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[4x6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[4x6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.4170	0.021	2	109.4423	0.009	4	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[4x6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[4x6]HH)(H){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.4675	0.158	2	109.4423	0.009	4	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[5x6]HH)(H)	C[6,6](C[3x6]C[5x6]C[6,6]I)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[5x6]HH)(H){1|H<1>,1|I<1>,4|C<4>}	C[6,6](C[3x6]C[5x6]C[6,6]I)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.1890	0.059	2	109.1890	0.004	2	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[5x6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[5x6]HH)(H){1|H<1>,1|I<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.2085	0.043	2	109.2085	0.002	2	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(H){1|C<3>,1|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{1|C<4>,1|N<3>,1|O<1>,6|H<1>}	H(C[3x6]C[6,6]3)	109.7940	0.000	1	109.7940	0.000	1	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(H){1|C<3>,1|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<4>,1|N<3>,8|H<1>}	H(C[3x6]C[6,6]3)	109.7770	0.000	1	110.0290	0.048	3	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[3x6]C[6,6]3)	110.1550	0.024	2	110.0290	0.048	3	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[3,5,6]C[6,6]2)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[3,5,6]C[6,6]2)(C[3x6]C[6,6]2H)(H)2{1|B<4>,1|C<3>,1|P<4>,2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.4467	0.196	3	109.4467	0.038	3	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|F<1>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<2>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.4415	0.025	2	109.4987	0.208	41	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|N<3>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.1407	0.298	7	109.4987	0.208	41	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|S<2>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.5924	0.092	8	109.4987	0.208	41	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|Se<3>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.5039	0.096	8	109.4987	0.208	41	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|Si<4>,1|O<2>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.5370	0.019	3	109.4987	0.208	41	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|Si<5>,1|O<2>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.5593	0.082	3	109.4987	0.208	41	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.6521	0.846	10	109.4987	0.208	41	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[3x6]C[6,6]2)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]2)(C[3x6]C[6,6]2H)(H)2{5|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	108.8302	0.595	6	108.8302	0.354	6	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<2>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.5340	0.044	2	109.6075	0.183	41	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.5100	0.147	4	109.6075	0.183	41	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.8890	1.033	7	109.6075	0.183	41	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.5877	0.077	3	109.6075	0.183	41	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{2|C<4>,2|O<2>,6|H<1>}	H(C[3x6]C[6,6]3)	109.4922	0.074	8	109.6075	0.183	41	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{2|C<4>,2|S<2>,6|H<1>}	H(C[3x6]C[6,6]3)	109.5605	0.082	10	109.6075	0.183	41	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.6099	0.052	7	109.6075	0.183	41	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|O<2>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.4660	0.017	2	109.5522	0.004	10	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|O<2>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.5493	0.053	4	109.5522	0.004	10	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{2|C<4>,2|S<2>,6|H<1>}	H(C[3x6]C[6,6]3)	109.5983	0.031	4	109.5522	0.004	10	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	110.4785	1.760	2	109.5058	8.178	6	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.0195	3.414	4	109.5058	8.178	6	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	108.1605	4.226	2	108.1605	17.862	2	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[5,5]C[6,6]2)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[5,5]C[6,6]2)(C[3x6]C[6,6]2H)(H)2{1|O<2>,4|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.3886	0.151	12	109.3886	0.023	12	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.9570	2.045	4	109.6819	1.455	10	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{2|C<4>,2|S<2>,6|H<1>}	H(C[3x6]C[6,6]3)	109.4985	0.093	6	109.6819	1.455	10	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|Br<1>,1|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	108.9580	0.897	2	109.2638	0.361	5	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|Br<1>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.4677	0.404	3	109.2638	0.361	5	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|Br<1>,1|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	108.7480	1.049	2	109.3404	0.884	631	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.6493	0.696	34	109.3404	0.884	631	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.1093	0.581	4	109.3404	0.884	631	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	108.4453	1.658	3	109.3404	0.884	631	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.4819	0.439	175	109.3404	0.884	631	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<5>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{1|Ir<4>,1|Li<3>,1|H<2>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.7025	1.029	2	109.3404	0.884	631	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.4520	0.130	2	109.3404	0.884	631	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|H<1>,2|C<2>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	108.9224	0.713	8	109.3404	0.884	631	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.0955	1.471	61	109.3404	0.884	631	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.3334	0.215	40	109.3404	0.884	631	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,5|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.2304	1.490	32	109.3404	0.884	631	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<4>,5|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.3101	0.196	8	109.3404	0.884	631	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{1|H<2>,2|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	109.4715	0.221	2	109.3404	0.884	631	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.3043	1.041	258	109.3404	0.884	631	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C[3])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C[3])(C[3x6]C[6,6]2H)(H)2{1|Si<2>,1|Si<3>,2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.3350	0.217	3	109.3350	0.047	3	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C[4])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C[4])(C[3x6]C[6,6]2H)(H)2{1|Ge<3>,1|P<2>,2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.4085	0.200	6	109.3626	0.099	12	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C[4])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C[4])(C[3x6]C[6,6]2H)(H)2{1|P<2>,1|P<3>,2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.4557	0.139	3	109.3626	0.099	12	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C[4])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C[4])(C[3x6]C[6,6]2H)(H)2{2|Si<4>,1|C<3>,2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.1777	0.595	3	109.3626	0.099	12	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C[4a])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C[4a])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|S<2>,2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	108.5494	2.662	12	108.5494	7.088	12	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	108.5618	1.317	5	109.3834	0.216	76	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|N<3>,2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.3562	0.175	46	109.3834	0.216	76	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|O<2>,2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.7358	0.506	12	109.3834	0.216	76	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|P<2>,2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.5237	0.061	3	109.3834	0.216	76	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2{1|Si<4>,1|P<3>,2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.4912	0.106	5	109.3834	0.216	76	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,3|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.3690	0.031	2	109.3834	0.216	76	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2{1|O<2>,3|C<4>,9|H<1>}	H(C[3x6]C[6,6]3)	109.4507	0.055	3	109.3834	0.216	76	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<2>,2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.5504	0.212	7	109.4445	0.042	79	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.4280	0.235	45	109.4445	0.042	79	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|N<3>,2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.4087	0.140	3	109.4445	0.042	79	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|O<2>,2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.4340	0.067	9	109.4445	0.042	79	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|S<2>,2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.4579	0.171	15	109.4445	0.042	79	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<2>,2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.5280	0.027	2	109.4092	0.055	63	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.1167	0.688	3	109.4092	0.055	63	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|P<3>,2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.3557	0.296	3	109.4092	0.055	63	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.4086	0.216	31	109.4092	0.055	63	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|O<2>,2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.4587	0.067	3	109.4092	0.055	63	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.5640	0.145	3	109.4092	0.055	63	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2{1|N<2>,3|C<4>,9|H<1>}	H(C[3x6]C[6,6]3)	109.4880	0.193	3	109.4092	0.055	63	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2{1|N<3>,3|C<4>,9|H<1>}	H(C[3x6]C[6,6]3)	109.4351	0.171	12	109.4092	0.055	63	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2{1|O<2>,4|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.2960	0.092	3	109.4092	0.055	63	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<2>,2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.5023	0.496	6	109.3413	0.128	247	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.3847	0.421	148	109.3413	0.128	247	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<2>,2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.2584	0.184	7	109.3413	0.128	247	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.2847	0.174	77	109.3413	0.128	247	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.0694	0.154	9	109.3413	0.128	247	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2F)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|F<1>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2F)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.6885	0.223	2	109.6885	0.050	2	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2Ge)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|Ge<4>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2Ge)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.4690	0.203	3	109.4690	0.041	3	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2I)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|H<1>,2|I<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2I)(H)2{1|O<2>,2|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	109.3357	0.253	3	109.3357	0.064	3	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.9528	0.927	4	109.4587	0.509	649	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<4>,1|N<3>,2|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<3>,6|H<1>}	H(C[3x6]C[6,6]3)	113.4130	0.000	1	109.4587	0.509	649	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|H<1>,1|N<3>,1|O<2>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.6380	0.221	2	109.4587	0.509	649	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|H<1>,2|N<4>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.2459	0.362	8	109.4587	0.509	649	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.5555	0.768	168	109.4587	0.509	649	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.3939	0.703	324	109.4587	0.509	649	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.2915	0.746	17	109.4587	0.509	649	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<4>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.4885	0.565	121	109.4587	0.509	649	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<4>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.3015	0.224	4	109.4587	0.509	649	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.8377	0.736	3	109.4255	0.413	104	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|H<1>,1|N<3>,1|O<2>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.6335	0.226	2	109.4255	0.413	104	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.2456	0.419	8	109.4255	0.413	104	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2{1|O<2>,2|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	109.6330	0.174	4	109.4255	0.413	104	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.4135	0.674	87	109.4255	0.413	104	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|P<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.3508	0.128	16	109.3260	0.075	251	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|P<4>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.3243	0.282	235	109.3260	0.075	251	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|S<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	110.3596	1.884	12	109.8865	2.510	57	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|S<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.4396	0.487	36	109.8865	2.510	57	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|S<4>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	111.0433	2.985	9	109.8865	2.510	57	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|Br<1>,1|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	110.4390	1.820	2	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|Br<1>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.5207	0.339	6	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.7668	0.629	64	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	108.5563	0.832	4	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.9997	0.947	3	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	109.6015	0.153	2	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.5780	0.522	72	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Fe<5>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.1833	0.050	4	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Mn<8>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.6030	0.108	4	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|N<2>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.5793	0.141	4	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|N<3>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.4750	0.043	4	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|O<1>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.7660	0.000	1	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|O<1>,3|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	109.7080	0.000	1	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|O<2>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.5500	0.000	1	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|O<2>,2|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	109.5827	0.098	3	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Ru<6>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.5932	0.099	4	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	109.4330	0.000	1	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.4066	0.460	47	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.4667	0.576	1025	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<5>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Ir<4>,1|Li<3>,1|H<2>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.7470	1.020	2	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<5>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.7620	1.097	2	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|F<1>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{4|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	108.9825	1.668	2	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|Ge<4>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.4550	0.170	5	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|H<1>,1|N<3>,1|O<2>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.6590	0.192	2	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.8206	0.515	8	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|H<1>,2|C<2>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.7447	0.860	4	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.4108	1.179	79	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|H<1>,2|I<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.4425	0.234	2	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|H<1>,2|N<4>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.2245	0.350	4	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.3414	0.201	21	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|Ir<5>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	110.5410	0.434	4	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.6649	0.714	316	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.6170	0.033	2	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Ru<9>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.4240	0.226	2	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.4967	0.777	1073	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{3|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	109.5555	0.069	2	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<4>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.5157	0.474	234	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|O<2>,2|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	109.6097	0.157	4	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.5484	1.094	167	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|P<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.3968	0.137	44	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|P<4>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.3223	0.283	461	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|S<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	110.5178	1.920	21	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|S<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.4603	0.475	72	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|S<4>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	111.6580	3.200	13	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|Se<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.5155	0.217	6	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|U<12>,1|N<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<4>,1|C<5>,8|H<1>}	H(C[3x6]C[6,6]3)	110.0484	1.799	11	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,1|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	108.9223	2.902	22	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|H<2>,2|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	109.4957	0.088	3	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.4992	0.827	559	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Al<4>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.4810	0.067	3	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Au<2>,2|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	109.4997	0.026	3	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<2>,1|O<2>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.5135	0.058	4	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,1|N<3>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.5556	0.115	31	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.6529	0.155	11	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,2|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	109.5667	0.015	4	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.5069	0.176	11	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Cl<1>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.5888	0.102	6	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Fe<6>,1|O<2>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.6756	0.117	8	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Ga<5>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.6347	0.033	4	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|N<2>,2|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	109.5768	0.033	4	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|N<3>,2|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	109.7038	0.210	44	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|N<4>,2|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	109.5732	0.197	12	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|O<2>,2|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	109.5327	0.380	49	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|O<2>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.4856	0.744	19	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|O<3>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.4804	1.029	24	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|S<2>,2|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	109.7578	0.265	4	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Se<2>,2|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	109.3692	0.069	4	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Si<4>,1|O<2>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.6238	0.052	6	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Si<4>,2|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	109.4420	0.025	2	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Ti<12>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.6706	0.490	20	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Ti<13>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.4992	0.104	4	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Zn<4>,2|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	109.6300	0.029	5	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,2|O<2>,6|H<1>}	H(C[3x6]C[6,6]3)	108.0616	3.062	16	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,2|S<2>,6|H<1>}	H(C[3x6]C[6,6]3)	109.5534	0.169	7	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.6286	0.873	248	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{3|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	109.6277	1.068	46	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{4|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.5353	0.115	4	109.5065	0.606	5002	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2Ir)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|Ir<5>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2Ir)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	110.4377	0.461	3	110.4377	0.212	3	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2N[3])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2N[3])(C[3x6]C[6,6]2H)(H)2{2|Ge<5>,2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.6377	0.103	3	109.6377	0.011	3	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2N[4])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2N[4])(C[3x6]C[6,6]2H)(H)2{1|B<4>,1|C<3>,2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.4640	0.032	3	109.4827	0.015	18	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2N[4])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2N[4])(C[3x6]C[6,6]2H)(H)2{1|Si<5>,1|C<3>,2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.4220	0.146	3	109.4827	0.015	18	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2N[4])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2N[4])(C[3x6]C[6,6]2H)(H)2{2|C<4>,2|P<3>,8|H<1>}	H(C[3x6]C[6,6]3)	109.5026	0.134	12	109.4827	0.015	18	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{1|C<2>,1|N<2>,2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	107.9473	3.172	6	109.3698	0.483	208	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<2>,2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.6908	0.858	17	109.3698	0.483	208	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.3364	0.214	31	109.3698	0.483	208	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,4|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	109.5650	0.065	2	109.3698	0.483	208	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{1|Ru<9>,1|C<3>,4|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.4705	0.211	2	109.3698	0.483	208	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{1|Si<4>,1|N<2>,2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.5120	0.196	5	109.3698	0.483	208	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.3907	0.395	142	109.3698	0.483	208	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{2|C<4>,2|S<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.3183	0.162	3	109.3698	0.483	208	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2N[5a])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2N[5a])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<2>,2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.3945	0.202	13	109.4011	0.033	16	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2N[5a])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2N[5a])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.4293	0.045	3	109.4011	0.033	16	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2N[6])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2N[6])(C[3x6]C[6,6]2H)(H)2{1|Ge<2>,1|C<3>,2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.2340	0.361	3	109.2340	0.130	3	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2N[6a])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2N[6a])(C[3x6]C[6,6]2H)(H)2{1|B<3>,1|C<3>,2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.3177	0.199	6	109.2792	0.046	9	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2N[6a])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2N[6a])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.2023	0.264	3	109.2792	0.046	9	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2P[5])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|P<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2P[5])(C[3x6]C[6,6]2H)(H)2{1|P<3>,3|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.5647	0.128	3	109.3111	0.036	18	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2P[5])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|P<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2P[5])(C[3x6]C[6,6]2H)(H)2{4|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.4697	0.110	3	109.3111	0.036	18	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2P[5])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|P<4>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2P[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,4|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.2081	0.122	12	109.3111	0.036	18	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2Se)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|Se<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2Se)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.4503	0.119	3	109.4503	0.014	3	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|O<1>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.5565	0.041	4	109.5565	0.002	4	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]N[3x4,3x6a]C[6,6]2)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<4>,2|H<1>,3|C<4>}	C[6,6](C[3x6]N[3x4,3x6a]C[6,6]2)(C[3x6]C[6,6]2H)(H)2{3|Ge<3>,2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.7523	0.097	4	109.7523	0.009	4	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]N[4]H)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]N[4]H)(C[6,6]C[3x6]HH)2(H){2|Ga<4>,1|N<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|N<4>,2|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	109.5376	0.212	14	109.5376	0.045	14	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]RuC)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]RuC)(C[6,6]C[3x6]HH)2(H){1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Ru<9>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.9420	0.004	2	109.9420	0.000	2	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]SeH)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]SeH)(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Se<2>,2|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	109.9733	0.250	3	109.9733	0.063	3	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]Si[5]H)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]Si[5]H)(C[6,6]C[3x6]HH)2(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Si<4>,2|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	109.4110	0.038	4	109.4110	0.001	4	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]Si[5]O)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]Si[5]O)(C[6,6]C[3x6]HH)2(H){2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Si<4>,1|O<2>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.2867	0.141	7	109.2867	0.020	7	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]ZnH)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]ZnH)(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Zn<4>,2|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	109.1679	0.051	7	109.1679	0.003	7	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4,3x6]HH)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4,3x6]HH)(C[6,6]C[3x6]HH)2(H){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{3|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	108.6925	0.572	4	108.6925	0.327	4	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4,3x6]HH)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4,3x6]HH)(C[6,6]C[3x6]HH)2(H){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.7812	1.334	4	109.7812	1.780	4	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H){1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|O<2>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.4710	0.656	2	109.6054	0.225	9	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,2|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	110.2465	0.405	2	109.6054	0.225	9	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|N<2>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.3017	0.176	3	109.6054	0.225	9	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{3|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	109.5545	0.026	2	109.6054	0.225	9	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H){1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.4690	0.653	2	109.5419	0.139	10	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	110.0460	0.085	2	109.5419	0.139	10	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.3000	0.137	4	109.5419	0.139	10	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.5945	0.019	2	109.5419	0.139	10	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)2(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[5,4x6]N[6]O)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)2(C[6,6]C[3x6]HH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|C<4>}	C[6,6](C[3x6]C[5,4x6]N[6]O)(C[3x6]C[6,6]2H)(H)2{4|H<1>,5|C<4>}	H(C[3x6]C[6,6]3)	109.7500	0.000	1	109.7500	0.000	1	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]ClH)(C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]ClH)(C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2{1|Cl<1>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]3)	111.1090	0.000	1	111.1090	0.000	1	109.4687	0.593	8092	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:I-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HI)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[4x6]O[6]H)(C[3x6]C[6,6]2H)(H)(I)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HI)(C[6,6]C[6,6]HH)(H){1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[4x6]O[6]H)(C[3x6]C[6,6]2H)(H)(I){1|C<3>,2|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	110.7420	0.000	1	110.7420	0.000	1	110.7420	0.000	1	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2C)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)3(H){1|C<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2C)(H)2{4|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.4550	0.061	2	109.4254	0.189	5	109.5319	0.302	76	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2C)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2C)(H)2{4|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	108.7040	0.000	1	109.4254	0.189	5	109.5319	0.302	76	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2C)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)3(H){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2C)(H)2{4|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.7565	0.110	2	109.4254	0.189	5	109.5319	0.302	76	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)3(H){1|C<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|C<2>,4|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	109.4663	0.042	4	109.5322	0.345	61	109.5319	0.302	76	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{4|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	108.7235	0.026	2	109.5322	0.345	61	109.5319	0.302	76	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)3(H){1|N<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|N<2>,4|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	109.5070	0.014	2	109.5322	0.345	61	109.5319	0.302	76	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)3(H){1|N<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{4|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.7555	0.028	2	109.5322	0.345	61	109.5319	0.302	76	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)3(H){1|N<4>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|N<4>,4|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	109.4510	0.474	7	109.5322	0.345	61	109.5319	0.302	76	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)3(H){1|N<4>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{4|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.7423	0.445	3	109.5322	0.345	61	109.5319	0.302	76	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)3(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{4|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.7815	0.030	2	109.5322	0.345	61	109.5319	0.302	76	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)3(H){1|P<4>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{4|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.4290	0.014	2	109.5322	0.345	61	109.5319	0.302	76	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)3(H){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{5|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	109.7570	0.109	2	109.5322	0.345	61	109.5319	0.302	76	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.7440	1.249	6	109.5322	0.345	61	109.5319	0.302	76	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|C<3>,4|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	108.7500	0.047	2	109.5322	0.345	61	109.5319	0.302	76	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|N<2>,4|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	109.4970	0.011	2	109.5322	0.345	61	109.5319	0.302	76	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|O<2>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	110.0377	0.622	3	109.5322	0.345	61	109.5319	0.302	76	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|O<2>,4|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	109.4692	0.410	5	109.5322	0.345	61	109.5319	0.302	76	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|P<4>,4|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	109.3800	0.000	1	109.5322	0.345	61	109.5319	0.302	76	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{4|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.5041	0.646	14	109.5322	0.345	61	109.5319	0.302	76	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)3(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{5|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	109.7260	0.058	2	109.5322	0.345	61	109.5319	0.302	76	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2N)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)3(H){1|N<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2N)(H)2{4|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.6010	0.147	2	109.5811	0.152	8	109.5319	0.302	76	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2N)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)3(H){1|N<4>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2N)(H)2{1|N<4>,4|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	109.7330	0.428	4	109.5811	0.152	8	109.5319	0.302	76	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2N)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)3(H){1|N<4>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2N)(H)2{4|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.2575	0.435	2	109.5811	0.152	8	109.5319	0.302	76	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2O)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)3(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2O)(H)2{4|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.7980	0.000	1	109.7980	0.000	1	109.5319	0.302	76	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2P)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)3(H){1|P<4>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2P)(H)2{4|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.3920	0.000	1	109.3920	0.000	1	109.5319	0.302	76	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:Cl-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]ClH)(C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]CH)(Cl)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]ClH)(C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]CH)(Cl)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	111.1010	0.000	1	111.1010	0.000	1	111.1010	0.000	1	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(H){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2{2|H<1>,5|C<4>}	H(C[3x6]C[6,6]3)	109.3660	0.000	1	109.3660	0.000	1	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HI)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HI)(C[6,6]C[6,6]HH)(H){1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2{1|I<1>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.7220	0.000	1	110.7220	0.000	1	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(H)2{3|H<1>,4|C<4>}	H(C[3x6]C[6,6]3)	110.5790	0.000	1	110.5790	0.000	1	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]HH)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[3x6]C[6,6]3)	109.5947	0.093	3	109.5947	0.009	3	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(H){2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[3x6]C[6,6]3)	109.5795	0.090	2	109.5795	0.008	2	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(H){2|C<4>,2|H<1>,3|O<2>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[3x6]C[6,6]3)	109.8920	0.000	1	109.8920	0.000	1	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]N[3x6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]N[3x6]HH)(H){1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[3x6]C[6,6]3)	109.5950	0.000	1	109.5950	0.000	1	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]HH)(H){3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]HH)(H)2{3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.0810	0.000	1	110.0810	0.000	1	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]P[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]P[6,6]HH)(H){1|Pd<4>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|P<4>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	108.3035	0.165	2	108.1280	0.055	5	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]P[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]P[6,6]HH)(H){1|Pt<4>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|P<4>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	107.9205	0.206	2	108.1280	0.055	5	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]P[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]P[6,6]HH)(H){3|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|P<4>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	108.1920	0.000	1	108.1280	0.055	5	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	111.2370	0.000	1	111.2370	0.000	1	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	112.8730	2.288	2	110.9961	2.872	7	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.3800	0.768	4	110.9961	2.872	7	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,1|O<1>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	109.7070	0.000	1	110.9961	2.872	7	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	110.1420	0.000	1	109.9968	1.643	86	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	110.3101	0.849	23	109.9968	1.643	86	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{3|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	109.8475	0.291	4	109.9968	1.643	86	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|Al<5>,1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	110.1070	0.202	2	109.9968	1.643	86	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|B<4>,1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	110.4335	0.339	2	109.9968	1.643	86	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|B<4>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	110.1795	0.129	2	109.9968	1.643	86	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	109.7046	1.669	42	109.9968	1.643	86	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	110.4029	0.354	10	109.9968	1.643	86	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	110.2030	0.000	1	110.3036	1.519	86	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	110.5080	1.040	22	110.3036	1.519	86	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{3|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	109.8705	0.217	4	110.3036	1.519	86	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|Al<5>,1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	110.2395	0.272	2	110.3036	1.519	86	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|B<4>,1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	110.4210	0.365	2	110.3036	1.519	86	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|B<4>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	110.1375	0.206	2	110.3036	1.519	86	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.1741	1.559	42	110.3036	1.519	86	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	110.5618	0.588	10	110.3036	1.519	86	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|N<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.7180	0.000	1	110.3036	1.519	86	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CN)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CN)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	111.8360	6.473	2	111.8360	41.898	2	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[3x6]C[6,6]3)	109.9190	0.000	1	109.9190	0.000	1	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2C)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[6]2C)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2C)2(H){2|C<4>,2|N<3>,2|O<1>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[6]2C)(H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[3x6]C[6,6]3)	107.2570	0.000	1	107.2570	0.000	1	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[3x6]C[6,6]3)	110.3180	0.000	1	110.1230	0.124	8	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[3x6]C[6,6]3)	110.7150	0.000	1	110.1230	0.124	8	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H){1|C<4>,1|N<2>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<2>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	109.9245	0.510	2	110.1230	0.124	8	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H){1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.0255	0.185	4	110.1230	0.124	8	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H){1|C<4>,1|N<2>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(H)2{1|N<2>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	109.9340	0.515	2	109.9945	0.069	6	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H){1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.0247	0.151	4	109.9945	0.069	6	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H){1|N<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|N<4>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.0587	1.873	12	110.0587	3.508	12	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HO)(H){1|C<3>,1|N<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[3x6]C[6,6]3)	110.4061	0.078	12	110.1191	0.077	110	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HO)(H){1|N<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	110.0237	0.111	3	110.1191	0.077	110	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HO)(H){1|N<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.0851	0.280	87	110.1191	0.077	110	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HO)(H){1|N<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	110.0935	0.240	8	110.1191	0.077	110	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]CH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]CH)(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	109.6990	0.000	1	109.6990	0.000	1	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[3x6]C[6,6]3)	109.6090	0.013	2	109.9349	0.623	14	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[3x6]C[6,6]3)	110.0500	0.000	1	109.9349	0.623	14	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[3x6]C[6,6]3)	110.4597	1.400	4	109.9349	0.623	14	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[3x6]C[6,6]3)	109.7980	0.276	2	109.9349	0.623	14	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|N<4>,5|H<1>}	H(C[3x6]C[6,6]3)	109.6250	0.000	1	109.9349	0.623	14	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[3x6]C[6,6]3)	109.1930	0.000	1	109.9349	0.623	14	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[3x6]C[6,6]3)	109.7170	0.082	2	109.9349	0.623	14	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|N<4>,5|H<1>}	H(C[3x6]C[6,6]3)	110.1340	0.000	1	109.9349	0.623	14	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){1|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|N<4>,5|H<1>}	H(C[3x6]C[6,6]3)	109.8760	0.037	2	109.8760	0.001	2	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[3x6]C[6,6]3)	109.6245	0.005	2	109.6245	0.000	2	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]O[6,6]CC)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]O[6,6]CC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[3x6]C[6,6]3)	110.0310	0.000	1	111.4187	5.814	3	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]O[6,6]CC)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]O[6,6]CC)(H){1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[3x6]C[6,6]3)	112.1125	2.956	2	111.4187	5.814	3	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]O[6,6]CC)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]O[6,6]CC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[3x6]C[6,6]3)	110.0330	0.000	1	110.0330	0.000	1	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)3(H){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.1096	0.259	5	110.1096	0.067	5	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)3(H){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.1124	0.261	10	110.1389	0.058	21	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.1630	0.229	11	110.1389	0.058	21	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.2135	0.251	6	110.2135	0.063	6	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)3(H){1|C<3>,1|N<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{2|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	109.8757	0.248	4	110.4451	0.365	94	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)3(H){1|N<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.8744	0.512	20	110.4451	0.365	94	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|Al<4>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.3890	0.031	2	110.4451	0.365	94	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|B<4>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.7730	0.178	4	110.4451	0.365	94	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|Cu<4>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.4273	0.030	3	110.4451	0.365	94	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|F<1>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.2520	0.052	2	110.4451	0.365	94	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|Ga<4>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.2349	0.108	8	110.4451	0.365	94	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|In<4>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.9997	0.825	9	110.4451	0.365	94	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|Li<4>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.6282	1.201	6	110.4451	0.365	94	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|Sn<4>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.4465	0.047	2	110.4451	0.365	94	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|Zn<5>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.2932	0.033	5	110.4451	0.365	94	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{2|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	110.0756	0.330	29	110.4451	0.365	94	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,1|N<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.1045	0.019	2	110.1045	0.000	2	110.1793	1.017	487	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:N[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(H)2{2|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	110.0510	0.000	1	110.0510	0.000	1	109.8800	0.038	3	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:N[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CO)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CO)(H)2{2|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	109.6670	0.000	1	109.6670	0.000	1	109.8800	0.038	3	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:N[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){1|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	109.9220	0.000	1	109.9220	0.000	1	109.8800	0.038	3	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:P[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]P[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(P[6,6]C[3x6]CC)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]P[6,6]HH)(H){3|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(P[6,6]C[3x6]CC)(H)2{3|H<1>,4|C<4>}	H(C[3x6]C[6,6]3)	108.1960	0.000	1	108.1960	0.000	1	108.1960	0.000	1	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[4,3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4,3x6]HH)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[4,3x6]C[4,6,6]C[6,6]C[4])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4,3x6]HH)(C[6,6]C[3x6]HH)2(H){2|H<1>,4|C<4>}	C[6,6](C[4,3x6]C[4,6,6]C[6,6]C[4])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	108.5675	0.407	2	108.8385	0.210	4	109.2470	0.369	7	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[4,3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4,3x6]HH)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[4,3x6]C[4,6,6]C[6,6]C[4])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4,3x6]HH)(C[6,6]C[3x6]HH)2(H){2|H<1>,4|C<4>}	C[6,6](C[4,3x6]C[4,6,6]C[6,6]C[4])(C[3x6]C[6,6]2H)(H)2{4|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.1095	0.414	2	108.8385	0.210	4	109.2470	0.369	7	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[4,3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4,3x6]HH)(C[6,6]C[4x6]HH)2(H)	C[6,6](C[4,3x6]C[4,3x6]2H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4,3x6]HH)(C[6,6]C[4x6]HH)2(H){3|C<4>,3|H<1>}	C[6,6](C[4,3x6]C[4,3x6]2H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	109.7917	0.115	3	109.7917	0.013	3	109.2470	0.369	7	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[4x6]HH)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[4x6]HH)(H){2|H<1>,4|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[6,6]2H)(H)2{4|C<4>,9|H<1>}	H(C[3x6]C[6,6]3)	109.4725	0.217	2	109.4725	0.047	2	109.8836	0.632	27	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[4x6]HH)(H)	C[6,6](C[4x6]C[6,6a]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[4x6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[4x6]C[6,6a]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(H)2{1|N<3>,2|C<3>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.4150	0.017	2	109.4150	0.000	2	109.8836	0.632	27	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4,3x6]HH)(C[6,6]C[4x6]HH)2(H)	C[6,6](C[4x6]C[4,3x6]C[3x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4,3x6]HH)(C[6,6]C[4x6]HH)2(H){3|C<4>,3|H<1>}	C[6,6](C[4x6]C[4,3x6]C[3x6]H)(C[3x6]C[6,6]2H)(H)2{3|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	109.7810	0.170	3	109.7628	0.017	6	109.8836	0.632	27	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4,3x6]HH)(C[6,6]C[4x6]HH)2(H)	C[6,6](C[4x6]C[4,3x6]C[3x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4,3x6]HH)(C[6,6]C[4x6]HH)2(H){3|C<4>,3|H<1>}	C[6,6](C[4x6]C[4,3x6]C[3x6]H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.7447	0.115	3	109.7628	0.017	6	109.8836	0.632	27	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]HH)(H)	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]HH)(H){1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.0940	0.000	1	110.0940	0.000	1	109.8836	0.632	27	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]HH)(H)	C[6,6](C[4x6]C[5,6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]HH)(H){1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[4x6]C[5,6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	110.1050	0.000	1	110.1050	0.000	1	109.8836	0.632	27	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]HH)(H)	C[6,6](C[4x6]C[6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]HH)(H){3|C<4>,4|H<1>}	C[6,6](C[4x6]C[6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	110.0290	0.004	2	110.0290	0.000	2	109.8836	0.632	27	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]OO)(H)	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]OO)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[3x6]C[6,6]3)	109.9290	0.000	1	110.0583	0.026	3	109.8836	0.632	27	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]OO)(H)	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]OO)(H){1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|H<1>,3|O<2>,4|C<4>}	H(C[3x6]C[6,6]3)	110.1230	0.165	2	110.0583	0.026	3	109.8836	0.632	27	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]OO)(H)	C[6,6](C[4x6]C[6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]OO)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[4x6]C[6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	H(C[3x6]C[6,6]3)	109.9360	0.000	1	110.0720	0.025	3	109.8836	0.632	27	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]OO)(H)	C[6,6](C[4x6]C[6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]OO)(H){1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[4x6]C[6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,3|H<1>,3|O<2>}	H(C[3x6]C[6,6]3)	110.1400	0.147	2	110.0720	0.025	3	109.8836	0.632	27	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6x6]HH)(H)	C[6,6](C[4x6]C[4x6]C[5x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6x6]HH)(H){2|H<1>,4|C<4>}	C[6,6](C[4x6]C[4x6]C[5x6]H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	110.0207	1.724	6	110.0207	2.974	6	109.8836	0.632	27	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)2(C[6,6]C[4x6]HH)(H)	C[6,6](C[4x6]C[5,3x6]2H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)2(C[6,6]C[4x6]HH)(H){3|C<4>,3|H<1>}	C[6,6](C[4x6]C[5,3x6]2H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.7330	0.000	1	109.7330	0.000	1	109.8836	0.632	27	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[3x6]C[6,6]2H)(H)2{1|N<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.2972	0.134	4	109.2972	0.018	4	109.6492	0.947	17	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H){2|H<1>,4|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]2H)(H)2{1|N<3>,3|C<4>,9|H<1>}	H(C[3x6]C[6,6]3)	109.6130	0.010	2	109.6130	0.000	2	109.6492	0.947	17	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]N[5])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H){1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]N[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	109.4695	0.668	2	109.4695	0.447	2	109.6492	0.947	17	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,2|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	108.0575	1.672	2	108.0575	2.797	2	109.6492	0.947	17	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2H)(H)2{1|N<3>,2|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	110.2585	0.050	2	110.2585	0.003	2	109.6492	0.947	17	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]CO)(H)	C[6,6](C[5,3x6]C[5,3x6]C[5,4x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]CO)(H){3|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,3x6]C[5,4x6]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,2|O<2>,7|C<4>}	H(C[3x6]C[6,6]3)	110.0700	0.000	1	110.0700	0.000	1	109.6492	0.947	17	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[3x6]C[6,6]3)	110.2255	0.156	2	110.2255	0.024	2	109.6492	0.947	17	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[5,3x6]C[5,4x6]O[5]O[6])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	C[6,6](C[5,3x6]C[5,4x6]O[5]O[6])(C[3x6]C[6,6]2H)(H)2{1|C<3>,4|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	111.7950	0.000	1	111.7950	0.000	1	109.6492	0.947	17	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)2(C[6,6]C[4x6]HH)(H)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)2(C[6,6]C[4x6]HH)(H){3|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.7350	0.000	1	109.7350	0.000	1	109.6492	0.947	17	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,5,6,6]HH)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]HO)(H)	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5]2)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,5,6,6]HH)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]HO)(H){1|H<1>,2|O<2>,4|C<4>}	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5]2)(C[3x6]C[6,6]2H)(H)2{4|C<4>,4|O<2>,5|H<1>}	H(C[3x6]C[6,6]3)	110.3310	0.000	1	110.3310	0.000	1	110.3310	0.000	1	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:Br-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]BrH)(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(Br)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]BrH)(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]HH)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(Br)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[3x6]C[6,6]3)	109.8250	0.000	1	109.6715	0.047	2	109.6715	0.047	2	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:Br-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]BrH)(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(Br)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]BrH)(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(Br)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[3x6]C[6,6]3)	109.5180	0.000	1	109.6715	0.047	2	109.6715	0.047	2	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.2600	0.068	2	110.2600	0.005	2	110.3242	0.471	25	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,5,6,6]HH)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]HO)(H)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,5,6,6]HH)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]HO)(H){1|H<1>,2|O<2>,4|C<4>}	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|O<2>,4|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	110.2370	0.000	1	110.2370	0.000	1	110.3242	0.471	25	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]BrH)(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]Br)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]BrH)(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]HH)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5]Br)(C[3x6]C[6,6]2H)(H)2{1|Br<1>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[3x6]C[6,6]3)	109.7190	0.000	1	109.7190	0.000	1	110.3242	0.471	25	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]BrH)(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]BrH)(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|Br<1>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[3x6]C[6,6]3)	109.4890	0.000	1	109.4890	0.000	1	110.3242	0.471	25	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,6,6]N[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<4>,5|H<1>}	C[6,6](C[5,6,6]N[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,4|H<1>,5|C<4>}	H(C[3x6]C[6,6]3)	109.8080	0.000	1	109.8080	0.000	1	110.3242	0.471	25	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[3x6]C[6,6]2H)(H)2{1|O<1>,4|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.3960	0.000	1	110.3960	0.000	1	110.3242	0.471	25	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]N[5,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]N[5,6,6]HH)(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,6|H<1>}	H(C[3x6]C[6,6]3)	110.5320	0.041	3	110.5320	0.002	3	110.3242	0.471	25	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)2(C[6,6]C[3x6]HH)(H)	C[6,6](C[5,6,6]C[5,4x6]C[5]C)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)2(C[6,6]C[3x6]HH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,4x6]C[5]C)(C[3x6]C[6,6]2H)(H)2{1|O<1>,4|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	109.7780	0.000	1	109.7780	0.000	1	110.3242	0.471	25	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)2(C[6,6]C[3x6]HH)(H)	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)2(C[6,6]C[3x6]HH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.7480	0.000	1	109.7480	0.000	1	110.3242	0.471	25	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)2(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)2(C[6,6]C[6,6]HH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.2903	0.128	4	110.2903	0.016	4	110.3242	0.471	25	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)2(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)2(C[6,6]C[6,6]HH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	110.2263	0.138	4	110.2263	0.019	4	110.3242	0.471	25	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)3(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]2)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)3(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5]2)(C[3x6]C[6,6]2H)(H)2{1|O<1>,1|O<2>,5|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	109.9110	0.000	1	109.9110	0.000	1	110.3242	0.471	25	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)3(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)3(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.9800	0.000	1	109.9800	0.000	1	110.3242	0.471	25	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)3(H)	C[6,6](C[5,6,6]C[5,3x6]O[5]2)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)3(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,3x6]O[5]2)(C[3x6]C[6,6]2H)(H)2{4|H<1>,5|C<4>}	H(C[3x6]C[6,6]3)	110.0460	0.000	1	110.0460	0.000	1	110.3242	0.471	25	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]N[5,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]N[5,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6]2H)(H){1|N<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[3x6]C[6,6]2H)(H)2{2|N<3>,4|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	112.4050	0.000	2	112.4050	0.000	2	110.3242	0.471	25	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[5x6]HH)(H)	C[6,6](C[5x6]C[3x6]C[5x6]C[6,6])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[5x6]HH)(H){1|H<1>,1|I<1>,4|C<4>}	C[6,6](C[5x6]C[3x6]C[5x6]C[6,6])(C[3x6]C[6,6]2H)(H)2{1|I<1>,6|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.1975	0.070	2	109.1975	0.005	2	109.1975	0.005	2	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:Cl-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]ClH)(C[6,6]C[6,6]HO)2(H)	C[6,6](C[6,6]C[3x6]ClH)(C[3x6]C[6,6]2H)(Cl)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]ClH)(C[6,6]C[6,6]HO)2(H){1|Cl<1>,1|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[3x6]ClH)(C[3x6]C[6,6]2H)(Cl)(H){2|C<4>,2|O<2>,3|H<1>}	H(C[3x6]C[6,6]3)	110.1215	0.036	2	110.1215	0.001	2	110.1215	0.001	2	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[3,6]C[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,4|H<1>,5|C<4>}	H(C[3x6]C[6,6]3)	106.4050	0.000	1	106.4050	0.000	1	109.7080	2.449	32	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	110.2360	0.180	2	110.2360	0.032	2	109.7080	2.449	32	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.6630	0.000	1	110.6630	0.000	1	109.7080	2.449	32	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[6,6]C[5,4x6]HN)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[5,4x6]HN)(C[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	106.8850	0.000	1	106.8850	0.000	1	109.7080	2.449	32	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]N[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<4>,5|H<1>}	C[6,6](C[6,6]N[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2{3|H<1>,4|C<4>}	H(C[3x6]C[6,6]3)	109.8250	0.000	1	109.8250	0.000	1	109.7080	2.449	32	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.3830	0.000	1	110.3830	0.000	1	109.7080	2.449	32	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[6,6]C[5,3x6]HN)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6,6](C[6,6]C[5,3x6]HN)(C[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.3400	0.000	1	110.3400	0.000	1	109.7080	2.449	32	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[5a,6]N[6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]3)	107.5960	0.000	1	107.5960	0.000	1	109.7080	2.449	32	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(C[6,6]C[6]2H)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,7|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|O<1>,2|C<3>,4|C<4>}	H(C[3x6]C[6,6]3)	107.8370	0.045	2	107.9340	0.029	3	109.7080	2.449	32	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(C[6,6]C[6]2H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,7|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[3x6]C[6,6]3)	108.1280	0.000	1	107.9340	0.029	3	109.7080	2.449	32	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]CH)(H)	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]CH)(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|C<4>,2|N<3>,4|H<1>}	H(C[3x6]C[6,6]3)	109.7520	0.000	1	109.7520	0.000	1	109.7080	2.449	32	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	H(C[3x6]C[6,6]3)	110.1110	0.000	1	109.9764	0.050	5	109.7080	2.449	32	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	H(C[3x6]C[6,6]3)	109.7945	0.295	2	109.9764	0.050	5	109.7080	2.449	32	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|N<4>,5|H<1>}	H(C[3x6]C[6,6]3)	110.0650	0.000	1	109.9764	0.050	5	109.7080	2.449	32	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){2|C<4>,3|C<3>}	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|N<3>,5|H<1>}	H(C[3x6]C[6,6]3)	110.1170	0.000	1	109.9764	0.050	5	109.7080	2.449	32	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	H(C[3x6]C[6,6]3)	109.5640	0.045	2	110.5470	3.662	10	109.7080	2.449	32	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	H(C[3x6]C[6,6]3)	111.1658	2.733	4	110.5470	3.662	10	109.7080	2.449	32	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|N<4>,5|H<1>}	H(C[3x6]C[6,6]3)	109.6200	0.000	1	110.5470	3.662	10	109.7080	2.449	32	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,4|H<1>}	H(C[3x6]C[6,6]3)	112.7150	0.000	1	110.5470	3.662	10	109.7080	2.449	32	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	H(C[3x6]C[6,6]3)	109.6720	0.028	2	110.5470	3.662	10	109.7080	2.449	32	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]N[3x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)3(H){1|C<3>,1|N<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	109.8435	0.230	2	109.8435	0.053	2	109.7080	2.449	32	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]N[5,6,6]HH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]N[5,6,6]HH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|S<4>,4|H<1>}	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	109.7475	0.264	2	109.7475	0.070	2	109.7080	2.449	32	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6x6]HH)(H)	C[6,6](C[6x6]C[5x6]2C[6,6])(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6x6]HH)(H){2|H<1>,4|C<4>}	C[6,6](C[6x6]C[5x6]2C[6,6])(C[3x6]C[6,6]2H)(H)2{5|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.9015	0.227	2	109.9015	0.052	2	109.6011	0.440	14	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6x6]HH)3(H)	C[6,6](C[6x6]C[6,6]C[6x6]2)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6x6]HH)3(H){6|C<4>}	C[6,6](C[6x6]C[6,6]C[6x6]2)(C[3x6]C[6,6]2H)(H)2{1|O<2>,5|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	109.4700	0.445	3	109.5510	0.496	12	109.6011	0.440	14	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6x6]HH)3(H)	C[6,6](C[6x6]C[6,6]C[6x6]2)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6x6]HH)3(H){6|C<4>}	C[6,6](C[6x6]C[6,6]C[6x6]2)(C[3x6]C[6,6]2H)(H)2{5|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.5780	0.793	9	109.5510	0.496	12	109.6011	0.440	14	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	P[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]P[6,6]HH)(H)	C[6,6](P[6,6]C[3x6]PdC)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]P[6,6]HH)(H){1|Pd<4>,3|C<4>,3|H<1>}	C[6,6](P[6,6]C[3x6]PdC)(C[3x6]C[6,6]2H)(H)2{3|H<1>,4|C<4>}	H(C[3x6]C[6,6]3)	108.3205	0.022	2	108.3205	0.000	2	108.0893	0.084	4	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	P[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]P[6,6]HH)(H)	C[6,6](P[6,6]C[3x6]PtC)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]P[6,6]HH)(H){1|Pt<4>,3|C<4>,3|H<1>}	C[6,6](P[6,6]C[3x6]PtC)(C[3x6]C[6,6]2H)(H)2{3|H<1>,4|C<4>}	H(C[3x6]C[6,6]3)	107.8580	0.194	2	107.8580	0.038	2	108.0893	0.084	4	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(N[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]HH)2(N[6,6]C[6,6]HH)(H){1|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	H(C[3x6]C[6,6]2N[6,6])	111.6435	0.021	2	111.6435	0.000	2	111.6435	0.000	2	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:P[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(P[6,6]C[6,6]CC)(H)	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]2P[6,6])	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(P[6,6]C[6,6]CC)(H){3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|H<1>,5|C<4>}	H(C[3x6]C[6,6]2P[6,6])	110.2910	0.000	1	110.2910	0.000	1	110.2910	0.000	1	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	N[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](N[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6a]O[6]H)(H)	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]N[4x6]C[6])	C[3x6](N[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6a]O[6]H)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[3x6]C[6,6]N[4x6]C[6])	107.0760	0.000	1	107.0760	0.000	1	107.0760	0.000	1	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](N[5,6,6]Ga[3x5,3x6]C[5]H)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]N[5,6,6]C[6,6]H)2(H)2	H(C[3x6]N[5,6,6]C[6,6]2)	C[3x6](N[5,6,6]Ga[3x5,3x6]C[5]H)(C[6,6]C[3x6]HH)2(H){1|C<3>,1|C<4>,2|N<4>,3|O<2>,4|H<1>}	C[6,6](C[3x6]N[5,6,6]C[6,6]H)2(H)2{1|Ga<6>,3|C<4>,6|H<1>}	H(C[3x6]N[5,6,6]C[6,6]2)	108.3305	0.118	2	108.3305	0.014	2	108.3305	0.014	2	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](N[5,6,6]N[5,6,6]C[5]H)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]N[5,6,6]C[6,6]2)	C[3x6](N[5,6,6]N[5,6,6]C[5]H)(C[6,6]C[6,6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[3x6]N[5,6,6]C[6,6]2)	110.8285	0.005	2	110.8285	0.000	2	110.8285	0.000	2	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	P[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](P[6,6]C[6,6]PdC)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]2P[6,6])	C[3x6](P[6,6]C[6,6]PdC)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H){3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|Pd<4>,2|H<1>,4|C<4>}	H(C[3x6]C[6,6]2P[6,6])	109.6150	0.198	2	109.6150	0.039	2	109.9500	0.192	4	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	P[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](P[6,6]C[6,6]PtC)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]2P[6,6])	C[3x6](P[6,6]C[6,6]PtC)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H){3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|Pt<4>,2|H<1>,4|C<4>}	H(C[3x6]C[6,6]2P[6,6])	110.2850	0.294	2	110.2850	0.087	2	109.9500	0.192	4	109.4993	0.728	9120	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[3,6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[3,6]C[3,6,6]O[3]H)(C[4x6]C[3x6]O[6,6]O)(C[6,6]C[3x6]HO)(H)	C[6,6](C[3x6]C[3,6]C[4x6]H)(C[3x6]C[6,6]2C)(OC)(H)	H(C[3x6]C[3,6]C[4x6]C[6,6])	C[3x6](C[3,6]C[3,6,6]O[3]H)(C[4x6]C[3x6]O[6,6]O)(C[6,6]C[3x6]HO)(H){6|C<4>}	C[6,6](C[3x6]C[3,6]C[4x6]H)(C[3x6]C[6,6]2C)(OC)(H){3|C<4>,3|O<2>,4|H<1>}	H(C[3x6]C[3,6]C[4x6]C[6,6])	108.2100	0.000	1	108.2100	0.000	1	108.2100	0.000	1	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[3x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]2)(C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HO)(H)	C[6,6](C[3x6]C[3x6]C[4x6]H)(C[3x6]C[6,6]2H)(OH)(H)	H(C[3x6]C[3x6]C[4x6]C[6,6])	C[3x6](C[3x6]C[3x6]C[6]2)(C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HO)(H){1|C<3>,1|N<2>,1|O<1>,4|C<4>,9|H<1>}	C[6,6](C[3x6]C[3x6]C[4x6]H)(C[3x6]C[6,6]2H)(OH)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[3x6]C[3x6]C[4x6]C[6,6])	105.3250	0.000	1	105.3250	0.000	1	105.3250	0.000	1	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[4x6]HO)(C[6,6]O[6,6]CH)(H)	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[3x6]C[3x6]C[6,6]H)(OH)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[4x6]HO)(C[6,6]O[6,6]CH)(H){1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[3x6]C[3x6]C[6,6]H)(OH)(H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	110.3580	0.000	1	110.3580	0.000	1	110.3580	0.000	1	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[3x6]C[6,6]H)(OH)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[3x6]C[6,6]H)(OH)(H){4|C<4>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	111.2930	0.000	1	111.2930	0.000	1	111.2930	0.000	1	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CC)(H)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]CO)(O[6]C[6])(H)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CC)(H){1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]CO)(O[6]C[6])(H){1|O<2>,4|H<1>,5|C<4>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.4150	0.000	1	107.4150	0.000	1	107.4150	0.000	1	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[3x6]-4:O[6]-2:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[5,6]C[6]N[6])(C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]O[5])(C[3x6]C[3x6]C[6]H)(O[6]C[6])(H)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[5,6]C[6]N[6])(C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(H){2|C<3>,2|C<4>,3|H<1>,3|O<2>}	C[6,6](C[5,6]C[5,6]C[5]O[5])(C[3x6]C[3x6]C[6]H)(O[6]C[6])(H){1|N<3>,1|O<1>,3|C<4>,3|O<2>,5|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.1620	0.000	1	107.1620	0.000	1	107.1620	0.000	1	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3,6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3,6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){3|C<4>,4|O<2>,5|H<1>}	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H){1|C<3>,7|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	104.8190	0.000	1	104.8190	0.000	1	105.4458	0.851	14	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(OH)(H)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(OH)(H){1|C<3>,6|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	104.5040	0.000	1	104.5040	0.000	1	105.4458	0.851	14	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	C[6,6](C[3x6]C[3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){3|C<4>,3|O<2>,6|H<1>}	C[6,6](C[3x6]C[3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H){1|H<1>,7|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	105.0220	0.000	1	105.0220	0.000	1	105.4458	0.851	14	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OC)(H)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){3|C<4>,3|O<2>,6|H<1>}	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OC)(H){8|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	105.9045	0.081	2	105.9045	0.007	2	105.4458	0.851	14	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){1|C<3>,1|N<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H){2|C<3>,6|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	104.8860	0.000	1	105.2237	0.093	8	105.4458	0.851	14	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H){2|C<3>,6|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	105.3850	0.109	2	105.2237	0.093	8	105.4458	0.851	14	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){3|C<4>,3|O<2>,6|H<1>}	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H){1|C<3>,7|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	105.3240	0.663	2	105.2237	0.093	8	105.4458	0.851	14	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){3|C<4>,3|O<2>,6|H<1>}	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H){8|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	105.1620	0.004	3	105.2237	0.093	8	105.4458	0.851	14	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2O[6])(C[6,6]C[3x6]HO)(C[6]C[6]CH)(H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[4x6]C[6]H)(OH)(H)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]2O[6])(C[6,6]C[3x6]HO)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[4x6]C[6]H)(OH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	108.2970	0.000	1	108.2970	0.000	1	105.4458	0.851	14	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[4x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[4x6]HO)(C[6]C[6]CC)(H)	C[6,6](C[4x6]C[5,4x6]O[6,6]O[6])(C[3x6]C[4x6]C[6]H)(OH)(H)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[4x6]HO)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,3|O<2>,5|H<1>}	C[6,6](C[4x6]C[5,4x6]O[6,6]O[6])(C[3x6]C[4x6]C[6]H)(OH)(H){2|C<3>,7|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	107.6570	0.000	1	107.6570	0.000	1	105.9505	5.824	2	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[4x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[4x6]HO)(C[6]C[6]CC)(H)	C[6,6](C[4x6]C[5,4x6]O[6,6]O[6])(C[3x6]C[4x6]C[6]H)(OH)(H)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[4x6]HO)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,3|O<2>,5|H<1>}	C[6,6](C[4x6]C[5,4x6]O[6,6]O[6])(C[3x6]C[4x6]C[6]H)(OH)(H){2|C<3>,7|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	104.2440	0.000	1	104.2440	0.000	1	105.9505	5.824	2	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[5,5,3x6]C[5,5,3x6]O[5,5]O[5,6])(C[6,6]C[5,6,6]HH)(C[6,6]C[3x6]HO)(H)	C[6,6](C[3x6]C[5,5,3x6]C[6,6]H)(C[3x6]C[5,4x6]C[6]H)(OC)(H)	H(C[3x6]C[5,5,3x6]C[6,6]2)	C[3x6](C[5,5,3x6]C[5,5,3x6]O[5,5]O[5,6])(C[6,6]C[5,6,6]HH)(C[6,6]C[3x6]HO)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3x6]C[5,5,3x6]C[6,6]H)(C[3x6]C[5,4x6]C[6]H)(OC)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>,3|O<2>}	H(C[3x6]C[5,5,3x6]C[6,6]2)	110.8670	0.000	1	110.8670	0.000	1	110.8670	0.000	1	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]C)(C[6,6]C[6]O[6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(O[6]C[5,6])(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]C)(C[6,6]C[6]O[6]H)(H){1|C<3>,1|O<1>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(O[6]C[5,6])(H){1|O<2>,2|C<3>,7|C<4>}	H(C[3x6]C[5,6,6]C[6,6]2)	104.1360	0.000	1	104.1360	0.000	1	104.1360	0.000	1	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5x6]-4:C[6,6]-4:C[6]-4:H-1:	C[4x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[5x6]C[4x6]2C[6])(C[6,6]C[4x6]HO)(C[6]C[6]CC)(H)	C[6,6](C[4x6]C[5,5x6]O[3x6]O)(C[3x6]C[5x6]C[6]H)(OH)(H)	H(C[3x6]C[5x6]C[6,6]C[6])	C[3x6](C[5x6]C[4x6]2C[6])(C[6,6]C[4x6]HO)(C[6]C[6]CC)(H){3|C<4>,3|O<2>,6|H<1>}	C[6,6](C[4x6]C[5,5x6]O[3x6]O)(C[3x6]C[5x6]C[6]H)(OH)(H){1|C<3>,7|C<4>}	H(C[3x6]C[5x6]C[6,6]C[6])	104.6350	0.000	1	104.6350	0.000	1	104.6350	0.000	1	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(HIr)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(HIr)(H){2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.5650	0.000	1	109.5650	0.000	1	109.5650	0.000	1	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:N-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H)	C[6,6](C[3x6]C[6,6]2H)2(NC)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(NC)(H){2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.3695	0.086	2	109.3695	0.007	2	109.3695	0.007	2	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(OC)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(H){2|C<4>,4|C<3>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(OC)(H){2|H<1>,2|O<1>,4|C<4>}	H(C[3x6]C[6,6]3)	109.0450	1.423	2	109.0450	2.024	2	109.4211	0.817	32	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(OC)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(OC)(H){2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.5850	0.000	1	109.5850	0.000	1	109.4211	0.817	32	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(OH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(OH)(H){2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.7510	0.000	1	109.7510	0.000	1	109.4211	0.817	32	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H)	C[6,6](C[3x6]C[6,6]2H)2(OC)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(OC)(H){2|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	110.7540	0.000	1	109.7940	0.119	16	109.4211	0.817	32	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H)	C[6,6](C[3x6]C[6,6]2H)2(OC)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(OC)(H){2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.7300	0.239	15	109.7940	0.119	16	109.4211	0.817	32	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H)	C[6,6](C[3x6]C[6,6]2H)2(OC[5])(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(OC[5])(H){2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.6455	0.064	2	109.6455	0.004	2	109.4211	0.817	32	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H)	C[6,6](C[3x6]C[6,6]2H)2(OC[6a])(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(OC[6a])(H){2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	108.9875	1.463	2	108.9875	2.140	2	109.4211	0.817	32	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H)	C[6,6](C[3x6]C[6,6]2H)2(OH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(OH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.6810	0.021	2	109.6810	0.000	2	109.4211	0.817	32	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H)	C[6,6](C[3x6]C[6,6]2H)2(OS)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(OS)(H){2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	108.4527	1.448	6	108.4527	2.096	6	109.4211	0.817	32	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:S-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HS)(H)	C[6,6](C[3x6]C[6,6]2H)2(SW)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HS)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(SW)(H){2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.9375	0.235	2	109.9375	0.055	2	109.9375	0.055	2	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:Se-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]SeH)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(SeW)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]SeH)(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(SeW)(H){2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.8750	0.223	2	109.8750	0.050	2	109.8750	0.050	2	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:N-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(NC)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H){1|C<4>,1|N<2>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(NC)(H){2|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	109.9960	0.448	2	109.9960	0.201	2	109.9960	0.201	2	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]ClH)(C[6,6]C[6,6]HO)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(OC)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]ClH)(C[6,6]C[6,6]HO)2(H){1|Cl<1>,1|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(OC)(H){1|Cl<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	110.1100	0.035	3	110.1100	0.001	3	110.0806	0.084	54	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HO)(H){1|N<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H){2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	109.9835	0.100	2	110.0789	0.089	51	110.0806	0.084	54	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HO)(H){1|N<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H){2|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	110.0804	0.309	45	110.0789	0.089	51	110.0806	0.084	54	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HO)(H){1|N<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H){3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.1095	0.267	4	110.0789	0.089	51	110.0806	0.084	54	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,6|C<4>}	H(C[3x6]C[6,6]3)	102.0510	0.000	1	102.0510	0.000	1	106.1183	4.814	8	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6,6]HO)(O[6]C[6])(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6,6]HO)(O[6]C[6])(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	107.8830	0.000	1	107.8830	0.000	1	106.1183	4.814	8	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(O[6]C[6])(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2C)(H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[3x6]C[6,6]3)	105.0810	0.000	1	105.0810	0.000	1	106.1183	4.814	8	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(O[6]S[6])(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2C)(H){1|O<1>,1|S<3>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(O[6]S[6])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[3x6]C[6,6]3)	104.9945	0.039	2	104.9945	0.002	2	106.1183	4.814	8	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2N)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CO)(O[6]C[6])(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2N)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CO)(O[6]C[6])(H){1|N<2>,1|O<1>,3|H<1>,4|C<4>}	H(C[3x6]C[6,6]3)	108.0140	0.157	2	108.0140	0.025	2	106.1183	4.814	8	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CO)(O[6]C[6])(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)2(H){1|C<3>,1|N<2>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CO)(O[6]C[6])(H){1|O<1>,4|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	107.9140	0.000	1	107.9140	0.000	1	106.1183	4.814	8	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]CO)(H)	C[6,6](C[5,6,6]C[5,4x6]C[5,6]H)(C[3x6]C[6,6]2H)(OH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]CO)(H){3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,4x6]C[5,6]H)(C[3x6]C[6,6]2H)(OH)(H){1|N<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[3x6]C[6,6]3)	110.0350	0.000	1	110.0350	0.000	1	110.1495	0.026	2	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,5,6,6]HH)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]HO)(H)	C[6,6](C[5,6,6]C[5,5,3x6]O[5]O)(C[3x6]C[6,6]2H)(OC)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,5,6,6]HH)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]HO)(H){1|H<1>,2|O<2>,4|C<4>}	C[6,6](C[5,6,6]C[5,5,3x6]O[5]O)(C[3x6]C[6,6]2H)(OC)(H){4|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.2640	0.000	1	110.2640	0.000	1	110.1495	0.026	2	108.9272	3.818	130	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:C-2:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(OSi)(CN)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(OSi)(CN){2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.6170	0.187	2	109.6170	0.035	2	109.6170	0.035	2	109.1881	2.481	18	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:O-2:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]OO)(H)	C[6,6](C[3x6]C[6,6]2H)2(OO)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]OO)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(OO)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.4100	1.154	8	109.4100	1.331	8	109.4100	1.331	8	109.1881	2.481	18	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:S-2:S-2:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]SS)(H)	C[6,6](C[3x6]C[6,6]2H)2(SC)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]SS)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(SC)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.5570	0.037	4	109.5570	0.001	4	109.5570	0.001	4	109.1881	2.481	18	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:O-2:O-2:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(OC)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(H){2|C<4>,2|H<1>,3|O<2>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(OC)2{3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	109.8110	0.000	1	109.6680	0.020	3	109.6680	0.020	3	109.1881	2.481	18	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:O-2:O-2:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(OC)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(H){2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(OC)2{3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	109.5965	0.093	2	109.6680	0.020	3	109.6680	0.020	3	109.1881	2.481	18	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:O[6]-2:O-2:	C[3x6]-4:	C[3x6](C[6,6]C[6]O[6]O)(C[6,6]C[6]2C)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HO)(O[6]C[6])(OH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6]O[6]O)(C[6,6]C[6]2C)2(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HO)(O[6]C[6])(OH){1|C<3>,3|H<1>,6|C<4>}	H(C[3x6]C[6,6]3)	103.6400	0.000	1	103.6400	0.000	1	103.6400	0.000	1	109.1881	2.481	18	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:O[6]-2:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[5,6]HH)(O[6]C[6])(CH3)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[5,6]HH)(O[6]C[6])(CH3){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	H(C[3x6]C[6,6]3)	103.1850	0.000	1	103.1850	0.000	1	104.5178	0.810	4	104.5178	0.810	4	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:O[6]-2:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(CH3)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2C)(H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(CH3){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[3x6]C[6,6]3)	105.1150	0.000	1	105.1150	0.000	1	104.5178	0.810	4	104.5178	0.810	4	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:2:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:O[6]-2:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]S[6])(CH3)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2C)(H){1|O<1>,1|S<3>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]S[6])(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	104.8855	0.166	2	104.8855	0.028	2	104.5178	0.810	4	104.5178	0.810	4	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H){1|C<3>,5|C<4>,8|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){3|H<1>,6|C<4>}	H(C[3x6]C[3x6]C[6,6]2)	107.6570	0.000	1	107.6570	0.000	1	107.4377	0.095	8	109.2475	2.172	147	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H){1|O<1>,5|C<4>,8|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){5|C<4>,5|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	107.2945	0.078	2	107.2945	0.006	2	107.4377	0.095	8	109.2475	2.172	147	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]O)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H){1|O<2>,2|C<3>,2|C<4>,2|O<1>,6|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	107.3058	0.222	4	107.3058	0.049	4	107.4377	0.095	8	109.2475	2.172	147	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H){1|O<1>,1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	108.0330	0.000	1	108.0330	0.000	1	107.4377	0.095	8	109.2475	2.172	147	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,8|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.0300	0.000	1	107.0300	0.000	1	107.0300	0.000	1	109.2475	2.172	147	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[4,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[5,6,6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[4,6,6]C[4,5,6,6]O[4]H)(C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(COO)(H)	H(C[3x6]C[4,6,6]C[6,6]2)	C[3x6](C[4,6,6]C[4,5,6,6]O[4]H)(C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(H){3|C<4>,4|H<1>}	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(COO)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[3x6]C[4,6,6]C[6,6]2)	110.7680	0.000	1	110.7680	0.000	1	110.7680	0.000	1	109.2475	2.172	147	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6a]-3:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6a]N[6,6]2)(C[6,6]C[3x6]C[6a]H)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6a]N[6,6]2)(C[6,6]C[3x6]C[6a]H)(C[6]C[6]HH)(H){5|H<1>,6|C<3>}	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){2|C<4>,2|N<3>,2|O<1>,3|C<3>,3|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	108.2825	0.265	2	108.2825	0.070	2	108.2825	0.070	2	109.2475	2.172	147	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[3x6]C[5,3x6]C[6,6]C[6])	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|N<4>,1|O<2>,3|C<4>,3|H<1>}	H(C[3x6]C[5,3x6]C[6,6]C[6])	107.5970	0.000	1	107.5970	0.000	1	107.5970	0.000	1	109.2475	2.172	147	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	H(C[3x6]C[5,3x6]C[6,6]C[6])	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[3x6]C[5,3x6]C[6,6]C[6])	108.4180	0.164	2	107.7330	1.279	5	107.7330	1.279	5	109.2475	2.172	147	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	H(C[3x6]C[5,3x6]C[6,6]C[6])	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[3x6]C[5,3x6]C[6,6]C[6])	107.2763	1.328	3	107.7330	1.279	5	107.7330	1.279	5	109.2475	2.172	147	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]ClH)(C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHO)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]ClH)(C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHO)(H){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	111.0900	0.000	1	111.0900	0.000	1	111.0900	0.000	1	109.2475	2.172	147	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[5]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[5]H)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5]2)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[5]H)(C[6,6]C[3x6]HH)2(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5]2)(H){10|H<1>,2|C<3>,3|C<4>}	H(C[3x6]C[6,6]3)	109.3950	0.314	2	109.3950	0.099	2	109.3950	0.099	2	109.2475	2.172	147	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6a]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[6a]H)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[6a]H)(C[6,6]C[3x6]HH)2(H){3|C<3>,5|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){10|H<1>,2|C<3>,2|C<4>}	H(C[3x6]C[6,6]3)	108.9745	0.276	2	108.9745	0.076	2	108.9745	0.076	2	109.2475	2.172	147	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H)	C[6,6](C[3x6]C[6,6]2H)2(NCC)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(NCC)(H){2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.3870	0.129	2	109.3870	0.017	2	109.5407	0.097	25	109.2475	2.172	147	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H)	C[6,6](C[3x6]C[6,6]2H)2(NCH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H){1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(NCH)(H){2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.6665	0.636	2	109.6128	0.142	4	109.5407	0.097	25	109.2475	2.172	147	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H)	C[6,6](C[3x6]C[6,6]2H)2(NCH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(NCH)(H){2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.5590	0.106	2	109.6128	0.142	4	109.5407	0.097	25	109.2475	2.172	147	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H)	C[6,6](C[3x6]C[6,6]2H)2(NC[5]C)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(NC[5]C)(H){2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.7661	0.388	8	109.7661	0.150	8	109.5407	0.097	25	109.2475	2.172	147	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H)	C[6,6](C[3x6]C[6,6]2H)2(NC[6a]C)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(NC[6a]C)(H){2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.3839	0.081	9	109.3839	0.007	9	109.5407	0.097	25	109.2475	2.172	147	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H)	C[6,6](C[3x6]C[6,6]2H)2(NN[6]Al)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(NN[6]Al)(H){2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.3545	0.070	2	109.3545	0.005	2	109.5407	0.097	25	109.2475	2.172	147	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CC[6a]O)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CC[6a]O)(H){2|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	109.9370	0.000	1	109.9370	0.000	1	109.5434	2.366	84	109.2475	2.172	147	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(COO)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(COO)(H){2|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	110.0670	0.000	1	110.0670	0.000	1	109.5434	2.366	84	109.2475	2.172	147	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CN)(COO)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CN)(COO)(H){2|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	102.8440	0.000	1	102.8440	0.000	1	109.5434	2.366	84	109.2475	2.172	147	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO)(H){2|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	106.6430	0.000	1	106.6430	0.000	1	109.5434	2.366	84	109.2475	2.172	147	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H){2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.2280	0.000	1	109.6749	1.817	78	109.5434	2.366	84	109.2475	2.172	147	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H){2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	109.6517	1.213	22	109.6749	1.817	78	109.5434	2.366	84	109.2475	2.172	147	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H){1|Al<5>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.2395	0.238	2	109.6749	1.817	78	109.5434	2.366	84	109.2475	2.172	147	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H){1|B<4>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.4930	0.368	2	109.6749	1.817	78	109.5434	2.366	84	109.2475	2.172	147	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H){2|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	109.5520	1.579	41	109.6749	1.817	78	109.5434	2.366	84	109.2475	2.172	147	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H){3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	109.8983	0.793	10	109.6749	1.817	78	109.5434	2.366	84	109.2475	2.172	147	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(COO)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(COO)(H){2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	109.0860	0.000	1	108.7565	0.217	2	109.5434	2.366	84	109.2475	2.172	147	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(COO)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(COO)(H){2|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	108.4270	0.000	1	108.7565	0.217	2	109.5434	2.366	84	109.2475	2.172	147	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(C[6a]C[6a]2)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(C[6a]C[6a]2)(H){1|C<4>,3|C<3>,7|H<1>}	H(C[3x6]C[6,6]3)	109.8890	0.000	1	109.8890	0.000	1	109.8890	0.000	1	109.2475	2.172	147	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(NPdC)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H){1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(NPdC)(H){2|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	110.0460	0.157	4	110.0460	0.025	4	110.0460	0.025	4	109.2475	2.172	147	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:N[6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(N[6]C[6]2)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,1|N<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(N[6]C[6]2)(H){1|C<3>,1|O<1>,3|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	110.1000	0.000	1	110.1000	0.000	1	110.1000	0.000	1	109.2475	2.172	147	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6]2H)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]C)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6]2H)3(H){1|C<3>,1|N<2>,6|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]C)(H){4|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	106.0140	0.000	1	106.0140	0.000	1	106.7928	0.512	5	109.2475	2.172	147	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6]2H)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6]2H)3(H){2|O<1>,4|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,4|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	107.4840	0.000	1	107.4840	0.000	1	106.7928	0.512	5	109.2475	2.172	147	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6]2H)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6]2H)3(H){2|O<1>,3|C<4>,8|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	107.0140	0.861	2	106.8220	0.481	3	106.7928	0.512	5	109.2475	2.172	147	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6]2H)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6]2H)3(H){2|O<1>,4|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	106.4380	0.000	1	106.8220	0.481	3	106.7928	0.512	5	109.2475	2.172	147	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){4|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	106.1220	0.000	1	106.1220	0.000	1	106.1220	0.000	1	109.2475	2.172	147	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:N-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(NOO)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(NOO)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[3x6]C[6,6]3)	110.2500	0.000	1	110.5485	0.178	2	110.5485	0.178	2	109.2475	2.172	147	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:N-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(NOO)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(NOO)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[3x6]C[6,6]3)	110.8470	0.000	1	110.5485	0.178	2	110.5485	0.178	2	109.2475	2.172	147	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]CO)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCO)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]CO)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCO)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]2N[6,6])	109.9090	0.000	1	109.9090	0.000	1	109.9090	0.000	1	109.2475	2.172	147	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C-3:O-2:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(CNO)(OH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(CNO)(OH){2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.4055	0.134	2	109.4055	0.018	2	109.2650	0.039	4	109.2192	0.030	6	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C-3:O-2:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(CSeN)(OH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(CSeN)(OH){2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.1245	0.139	2	109.1245	0.019	2	109.2650	0.039	4	109.2192	0.030	6	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6a]-3:O-2:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[6a]O)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(C[6a]C[6a]2)(OH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[6a]O)(C[6,6]C[3x6]HH)2(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(C[6a]C[6a]2)(OH){2|C<4>,3|C<3>,9|H<1>}	H(C[3x6]C[6,6]3)	109.1275	0.078	2	109.1275	0.006	2	109.1275	0.006	2	109.2192	0.030	6	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:3:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C-3:N-3:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CN)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(CNO)(NCH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CN)(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(CNO)(NCH){2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.4504	0.096	22	109.4504	0.009	22	109.4504	0.009	22	109.1386	0.773	27	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:3:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6a]-3:N[5a]-3:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[6a]N[5a])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(C[6a]C[6a]2)(N[5a]C[5a]2)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[6a]N[5a])(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6]2H)2(C[6a]C[6a]2)(N[5a]C[5a]2){11|H<1>,1|N<2>,1|O<2>,2|C<4>,3|C<3>}	H(C[3x6]C[6,6]3)	109.2090	0.034	2	109.2090	0.001	2	109.2090	0.001	2	109.1386	0.773	27	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:3:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-3:N-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CN)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(COO)(NCH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CN)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(COO)(NCH){2|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	105.8310	0.000	1	105.8310	0.000	1	105.8310	0.000	1	109.1386	0.773	27	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:3:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-3:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2C)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]N[6]O)(COO)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2C)2(H){2|C<4>,2|N<3>,2|O<1>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]N[6]O)(COO){2|C<3>,2|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	107.2925	0.046	2	107.2925	0.002	2	107.2925	0.002	2	109.1386	0.773	27	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[3x6]-4:	C[3x6](C[3x6]C[3,6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(CCHH)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[3,6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,3|O<2>,4|C<4>,6|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(CCHH){4|C<4>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.3840	0.000	1	107.3840	0.000	1	107.0115	0.278	2	107.5085	3.265	14	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HO)(H)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HO)(C[6]O[6]O)(CH3)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,7|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HO)(C[6]O[6]O)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	106.6390	0.000	1	106.6390	0.000	1	107.0115	0.278	2	107.5085	3.265	14	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-3:C-4:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H)	C[6,6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	H(C[3x6]C[5,3x6]C[5,6,6]C[6,6])	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H){2|C<3>,2|O<1>,3|C<4>,7|H<1>}	C[6,6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>,5|C<4>}	H(C[3x6]C[5,3x6]C[5,6,6]C[6,6])	105.5570	0.000	1	105.5570	0.000	1	105.5570	0.000	1	107.5085	3.265	14	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C-3:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(CC[6a]O)(CCHH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(CC[6a]O)(CCHH){2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.4032	0.209	4	109.4032	0.044	4	109.3972	0.033	5	107.5085	3.265	14	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C-3:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(CC[6a]O)(CHHN)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(CC[6a]O)(CHHN){2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.3730	0.000	1	109.3730	0.000	1	109.3972	0.033	5	107.5085	3.265	14	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)2(H){1|O<2>,3|C<3>,3|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){5|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	104.8330	0.000	1	104.8330	0.000	1	106.4255	2.571	6	107.5085	3.265	14	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]N[6]HH)(C[6]O[6]O)(CCHH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(C[6,6]C[6]2H)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]N[6]HH)(C[6]O[6]O)(CCHH){1|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	107.7885	0.008	2	107.8843	0.028	3	106.4255	2.571	6	107.5085	3.265	14	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]N[6]HH)(C[6]O[6]O)(CCHH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(C[6,6]C[6]2H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]N[6]HH)(C[6]O[6]O)(CCHH){3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	108.0760	0.000	1	107.8843	0.028	3	106.4255	2.571	6	107.5085	3.265	14	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2C)(H){1|O<1>,1|S<3>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){2|O<2>,3|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	105.0335	0.067	2	105.0335	0.005	2	106.4255	2.571	6	107.5085	3.265	14	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H){1|C<3>,1|N<2>,6|C<4>,6|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	108.5890	0.000	1	107.8422	0.290	4	107.6917	0.178	10	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H){1|C<3>,1|N<2>,6|C<4>,7|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	107.3320	0.000	1	107.8422	0.290	4	107.6917	0.178	10	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H){1|C<3>,1|O<2>,6|C<4>,7|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	107.7240	0.157	2	107.8422	0.290	4	107.6917	0.178	10	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CN)(C[6]C[6]HH)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H){1|C<3>,1|N<2>,6|C<4>,6|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	108.1520	0.000	1	107.7410	0.338	2	107.6917	0.178	10	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CN)(C[6]C[6]HH)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H){1|C<3>,1|N<2>,6|C<4>,7|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CN)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	107.3300	0.000	1	107.7410	0.338	2	107.6917	0.178	10	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CO)(C[6]C[6]HH)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H){1|C<3>,1|O<2>,6|C<4>,7|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CO)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	107.7245	0.036	2	107.7245	0.001	2	107.6917	0.178	10	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)2(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H){1|O<1>,5|C<4>,8|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)2(H){1|C<3>,4|H<1>,5|C<4>}	H(C[3x6]C[3x6]C[6,6]2)	107.3085	0.028	2	107.3085	0.001	2	107.6917	0.178	10	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]C[6]N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6]C[6]N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,8|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|N<3>,3|C<4>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.5265	0.220	2	107.5265	0.048	2	107.7964	1.121	8	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)2(H)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){10|H<1>,1|C<3>,1|S<4>,2|C<4>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	110.1440	0.000	1	107.8863	1.520	6	107.7964	1.121	8	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)2(H)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){10|H<1>,1|C<3>,1|S<4>,2|C<4>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.7890	0.000	3	107.8863	1.520	6	107.7964	1.121	8	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)2(H)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){10|H<1>,2|C<3>,2|C<4>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[3x6]C[3x6]C[6,6]C[6])	106.3820	0.000	1	107.8863	1.520	6	107.7964	1.121	8	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)2(H)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){11|H<1>,1|C<4>,2|C<3>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.4250	0.000	1	107.8863	1.520	6	107.7964	1.121	8	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.8510	0.000	1	107.7010	0.019	3	107.7010	0.019	3	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,9|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.6260	0.064	2	107.7010	0.019	3	107.7010	0.019	3	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[6]C[6]HH)2(H)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,9|H<1>}	C[6,6](C[3x6]C[4x6]C[6]H)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	106.4660	0.088	2	106.4660	0.008	2	106.4660	0.008	2	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[6,6]-4:Si[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]CH)(Si[6]O[6]CC)(H)	C[6,6](C[3x6]C[4x6]Si[6]H)(C[3x6]C[6,6]2C)(CCHH)(H)	H(C[3x6]C[4x6]C[6,6]Si[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]CH)(Si[6]O[6]CC)(H){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[4x6]Si[6]H)(C[3x6]C[6,6]2C)(CCHH)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[3x6]C[4x6]C[6,6]Si[6])	105.6350	0.000	1	104.9930	0.309	3	104.9930	0.309	3	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[6,6]-4:Si[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]CH)(Si[6]O[6]CC)(H)	C[6,6](C[3x6]C[4x6]Si[6]H)(C[3x6]C[6,6]2C)(CCHH)(H)	H(C[3x6]C[4x6]C[6,6]Si[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]CH)(Si[6]O[6]CC)(H){1|O<1>,3|H<1>,5|C<4>}	C[6,6](C[3x6]C[4x6]Si[6]H)(C[3x6]C[6,6]2C)(CCHH)(H){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	H(C[3x6]C[4x6]C[6,6]Si[6])	104.6720	0.000	2	104.9930	0.309	3	104.9930	0.309	3	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[3x6]C[5,3x6]C[6,6]C[6])	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|N<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[3x6]C[5,3x6]C[6,6]C[6])	104.9080	0.000	1	104.9080	0.000	1	105.5077	0.271	3	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)2(H)	H(C[3x6]C[5,3x6]C[6,6]C[6])	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|Cl<1>,2|C<3>,3|C<4>,8|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[3x6]C[5,3x6]C[6,6]C[6])	105.8380	0.000	1	105.8075	0.002	2	105.5077	0.271	3	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)2(H)	H(C[3x6]C[5,3x6]C[6,6]C[6])	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[3x6]C[5,3x6]C[6,6]C[6])	105.7770	0.000	1	105.8075	0.002	2	105.5077	0.271	3	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3,6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]N[5,6,6]C[5,6a]C)(C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]C[5]H)(H)	C[6,6](C[3x6]C[3,6,6]C[5,6,6]H)(C[5]C[5,6a]N[5]C)(C[6,6]C[3x6]CH)(H)	H(C[3x6]C[3,6,6]C[5,6,6]C[6,6])	C[3x6](C[5,6,6]N[5,6,6]C[5,6a]C)(C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]C[5]H)(H){1|N<3>,2|C<4>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[3,6,6]C[5,6,6]H)(C[5]C[5,6a]N[5]C)(C[6,6]C[3x6]CH)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	H(C[3x6]C[3,6,6]C[5,6,6]C[6,6])	110.7810	0.000	1	110.7810	0.000	1	110.7810	0.000	1	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]N[4x6]CH)(CHHO)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]N[4x6]CH)(CHHO)(H){3|C<4>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	110.8710	0.000	1	110.8710	0.000	1	110.3767	0.183	3	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CCCH)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	110.1290	0.000	1	110.1290	0.000	1	110.3767	0.183	3	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CH3)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	110.1300	0.000	1	110.1300	0.000	1	110.3767	0.183	3	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3,6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3,6]C[3,6]C[3]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[3,6]C[3,6]C[3]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){2|Br<1>,1|N<3>,4|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	106.1140	0.000	1	106.1140	0.000	1	106.1140	0.000	1	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(CH3)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(CH3)(H){2|O<1>,3|H<1>,4|C<4>}	H(C[3x6]C[6,6]3)	108.2815	0.520	2	108.2815	0.270	2	108.3427	0.146	3	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(CC[6a]RuH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)2(H){1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(CC[6a]RuH)(H){1|C<3>,3|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	108.4650	0.000	1	108.4650	0.000	1	108.3427	0.146	3	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[3]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[3]H)(C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(C[3]C[3]O[3]H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[3]H)(C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(H){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(C[3]C[3]O[3]H)(H){2|H<1>,2|O<1>,6|C<4>}	H(C[3x6]C[6,6]3)	107.7660	0.000	1	107.7660	0.000	1	107.7660	0.000	1	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[5]H)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5]2Ti)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[5]H)(C[6,6]C[3x6]HH)2(H){1|Ti<11>,3|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5]2Ti)(H){10|H<1>,4|C<4>}	H(C[3x6]C[6,6]3)	109.4215	0.043	2	109.6212	0.285	20	109.6212	0.285	20	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[5]H)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5]2Ti)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[5]H)(C[6,6]C[3x6]HH)2(H){1|Ti<12>,3|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5]2Ti)(H){10|H<1>,4|C<4>}	H(C[3x6]C[6,6]3)	109.6719	0.587	16	109.6212	0.285	20	109.6212	0.285	20	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[5]H)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5]2Ti)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[5]H)(C[6,6]C[3x6]HH)2(H){1|Ti<13>,3|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5]2Ti)(H){10|H<1>,4|C<4>}	H(C[3x6]C[6,6]3)	109.4155	0.199	2	109.6212	0.285	20	109.6212	0.285	20	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)2(H){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2H)(H){1|O<1>,6|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.0220	0.000	1	109.7651	0.344	7	109.7651	0.344	7	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)2(H){4|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2H)(H){10|H<1>,1|C<3>,5|C<4>}	H(C[3x6]C[6,6]3)	109.5090	0.276	2	109.7651	0.344	7	109.7651	0.344	7	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)2(H){4|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2H)(H){10|H<1>,6|C<4>}	H(C[3x6]C[6,6]3)	110.0790	0.551	4	109.7651	0.344	7	109.7651	0.344	7	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-4:Cl-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[6]Cl)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(C[6]C[6]2H)(Cl)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[6]Cl)(C[6,6]C[3x6]HH)2(H){4|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(C[6]C[6]2H)(Cl){11|H<1>,1|N<3>,1|O<2>,3|C<4>}	H(C[3x6]C[6,6]3)	109.4950	0.064	4	109.4950	0.004	4	109.4950	0.004	4	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:N[4]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]N[4]H)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(N[4]Ga[4]2N[6])(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]N[4]H)(C[6,6]C[3x6]HH)2(H){2|Ga<4>,1|N<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(N[4]Ga[4]2N[6])(H){1|N<4>,8|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.5317	0.215	7	109.5317	0.046	7	109.5317	0.046	7	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:Si[5]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]Si[5]H)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(Si[5]C[5]2O)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]Si[5]H)(C[6,6]C[3x6]HH)2(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(Si[5]C[5]2O)(H){2|C<4>,4|C<3>,8|H<1>}	H(C[3x6]C[6,6]3)	109.4105	0.006	2	109.4105	0.000	2	109.4105	0.000	2	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(CCHH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(CCHH)(H){3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.6070	0.000	1	110.6070	0.000	1	110.1699	0.155	8	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCHH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCHH)(H){2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	109.8593	0.312	3	109.9930	0.091	5	110.1699	0.155	8	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCHH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCHH)(H){1|B<4>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.1935	0.192	2	109.9930	0.091	5	110.1699	0.155	8	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CClCH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CClCH)(H){2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.0230	0.000	1	110.0230	0.000	1	110.1699	0.155	8	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CH3)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|N<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CH3)(H){2|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	110.7640	0.000	1	110.7640	0.000	1	110.1699	0.155	8	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:N-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(NH3)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H){1|N<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(NH3)(H){2|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	110.7318	0.582	6	110.7318	0.339	6	110.7318	0.339	6	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(C[6,6]C[6]2H)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]3)	107.8400	0.014	2	107.9497	0.036	3	107.6897	0.636	15	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(C[6,6]C[6]2H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	108.1690	0.000	1	107.9497	0.036	3	107.6897	0.636	15	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2H)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2H)2(H){1|C<3>,1|O<2>,5|C<4>,8|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){4|H<1>,6|C<4>}	H(C[3x6]C[6,6]3)	106.2680	0.000	1	106.2680	0.000	1	107.6897	0.636	15	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2H)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2H)2(H){1|C<3>,1|O<2>,5|C<4>,8|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|H<1>,6|C<4>}	H(C[3x6]C[6,6]3)	106.2900	0.000	1	106.2900	0.000	1	107.6897	0.636	15	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6]2H)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6]2H)3(H){1|C<3>,1|N<2>,6|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	108.9370	0.000	1	108.9370	0.000	1	107.6897	0.636	15	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6]2H)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CN)(C[6]C[6]HH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6]2H)3(H){1|C<3>,1|N<2>,6|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	108.7300	0.000	1	108.7300	0.000	1	107.6897	0.636	15	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6]2H)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6]2H)3(H){2|O<1>,3|C<4>,8|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	107.8550	0.000	1	107.8555	0.000	2	107.6897	0.636	15	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6]2H)3(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6]2H)3(H){2|O<1>,4|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	107.8560	0.000	1	107.8555	0.000	2	107.6897	0.636	15	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2N)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2N)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<2>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	107.9570	0.000	1	108.0525	0.018	2	107.6897	0.636	15	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2N)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2N)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<2>,1|O<2>,3|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	108.1480	0.000	1	108.0525	0.018	2	107.6897	0.636	15	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)2(H){1|C<3>,1|N<2>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	107.9070	0.000	1	107.9070	0.000	1	107.6897	0.636	15	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CN)(C[6]C[6]HH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)2(H){1|C<3>,1|N<2>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	107.9410	0.000	1	107.9410	0.000	1	107.6897	0.636	15	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]N[5,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6]2H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]N[5,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6]2H)(H){1|N<3>,3|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){2|N<3>,4|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	106.8040	0.000	2	106.8040	0.000	2	107.6897	0.636	15	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]N[5,3x6]HH)(C[3x6]C[6,6]2H)(CCHH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<4>,5|H<1>}	C[6,6](C[6,6]N[5,3x6]HH)(C[3x6]C[6,6]2H)(CCHH)(H){3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	109.8340	0.000	1	109.8340	0.000	1	109.7585	0.011	2	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[6,6]C[3x6]N[5]H)(C[3x6]C[6,6]2H)(CCHH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,1|O<1>,3|H<1>}	C[6,6](C[6,6]C[3x6]N[5]H)(C[3x6]C[6,6]2H)(CCHH)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.6830	0.000	1	109.6830	0.000	1	109.7585	0.011	2	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[3x6]C[6,6]2H)(C[6]C[5a,6]HH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[3x6]C[6,6]2H)(C[6]C[5a,6]HH)(H){1|C<3>,1|N<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	107.8900	0.000	1	107.8900	0.000	1	106.3675	4.636	2	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)2(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)2(H){1|O<2>,3|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){3|C<3>,3|H<1>,5|C<4>}	H(C[3x6]C[6,6]3)	104.8450	0.000	1	104.8450	0.000	1	106.3675	4.636	2	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]2N[6,6])	110.2100	0.000	1	110.2100	0.000	1	110.2100	0.000	1	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2H)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2H)(H){11|H<1>,1|N<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	H(C[3x6]C[6,6]2N[6,6])	107.7705	0.736	2	107.7705	0.542	2	107.0840	0.883	4	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2O)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2O)(H){11|H<1>,1|N<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[3x6]C[6,6]2N[6,6])	106.0650	0.000	1	106.0650	0.000	1	107.0840	0.883	4	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(N[6,6]C[6]2O)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(N[6,6]C[6]2O)(H){11|H<1>,1|N<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	H(C[3x6]C[6,6]2N[6,6])	106.7300	0.000	1	106.7300	0.000	1	107.0840	0.883	4	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2H)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2H)(H){11|H<1>,1|N<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[3x6]C[6,6]2N[6,6])	107.7085	0.814	2	107.7085	0.662	2	107.1670	1.211	3	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2O)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2O)(H){11|H<1>,1|N<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[3x6]C[6,6]2N[6,6])	106.0840	0.000	1	106.0840	0.000	1	107.1670	1.211	3	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:P[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(P[6,6]C[6,6]CC)(H)	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]CC)(CH3)(H)	H(C[3x6]C[6,6]2P[6,6])	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(P[6,6]C[6,6]CC)(H){3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]CC)(CH3)(H){3|H<1>,4|C<4>}	H(C[3x6]C[6,6]2P[6,6])	110.2460	0.000	1	110.2460	0.000	1	110.2460	0.000	1	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	P[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](P[6,6]C[6,6]PdC)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]CC)(CH3)(H)	H(C[3x6]C[6,6]2P[6,6])	C[3x6](P[6,6]C[6,6]PdC)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H){3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]CC)(CH3)(H){1|Pd<4>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]2P[6,6])	109.6350	0.239	2	109.6350	0.057	2	109.9910	0.200	4	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	P[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](P[6,6]C[6,6]PtC)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]CC)(CH3)(H)	H(C[3x6]C[6,6]2P[6,6])	C[3x6](P[6,6]C[6,6]PtC)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H){3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]CC)(CH3)(H){1|Pt<4>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]2P[6,6])	110.3470	0.188	2	110.3470	0.035	2	109.9910	0.200	4	108.6738	2.405	124	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C-4:O-2:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(CCHH)(OH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(CCHH)(OH){2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.0620	0.894	8	109.0620	0.798	8	109.1626	0.672	10	109.0282	0.827	20	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C-4:O-2:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(CHHO)(OC)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(CHHO)(OC){2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.5650	0.231	2	109.5650	0.053	2	109.1626	0.672	10	109.0282	0.827	20	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:O-2:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CH3)(OH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]HH)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CH3)(OH){3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	109.5495	0.029	2	109.5495	0.001	2	109.5495	0.001	2	109.0282	0.827	20	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:N-2:	C[3x6]-4:	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2N)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(NN)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2N)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(NN){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	108.0700	0.000	1	107.9705	0.020	2	107.9705	0.020	2	109.0282	0.827	20	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:N-2:	C[3x6]-4:	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2N)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(NN)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2N)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(NN){1|O<2>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	107.8710	0.000	1	107.9705	0.020	2	107.9705	0.020	2	109.0282	0.827	20	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:C-4:O-2:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]CO)(H)	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(CH3)(OH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]CO)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(CH3)(OH){1|O<2>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	109.9830	0.000	1	109.9830	0.000	1	109.9830	0.000	1	109.0282	0.827	20	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	Si[5]-4:C[3x6]-4:C[3x6]-4:O-2:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]Si[5]O)(C[6,6]C[3x6]HH)2(H)	C[6,6](Si[5]C[6,6]C[5]2)(C[3x6]C[6,6]2H)2(OH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]Si[5]O)(C[6,6]C[3x6]HH)2(H){2|C<3>,3|H<1>,4|C<4>}	C[6,6](Si[5]C[6,6]C[5]2)(C[3x6]C[6,6]2H)2(OH){1|O<2>,4|C<3>,4|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.3032	0.148	4	109.3032	0.022	4	109.3032	0.022	4	109.0282	0.827	20	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:O-2:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(N[6,6]C[6]2O)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(OH)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(N[6,6]C[6]2O)(H){11|H<1>,1|N<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[3x6]C[6,6]2N[6,6])	106.7020	0.000	1	106.7020	0.000	1	106.7020	0.000	1	109.0282	0.827	20	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-3:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(COO)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){10|H<1>,2|O<2>,3|C<4>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(COO){4|C<4>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	106.5380	0.000	1	106.5380	0.000	1	106.5380	0.000	1	108.4985	1.570	15	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C-4:C-3:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]CC)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2Br)(CH3)(COO)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]CC)(C[6]C[6]HH)(H){1|Br<1>,1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2Br)(CH3)(COO){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	106.9550	0.000	1	106.9550	0.000	1	106.8675	0.015	2	108.4985	1.570	15	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C-4:C-3:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]CC)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(CH3)(COO)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]CC)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(CH3)(COO){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	106.7800	0.000	1	106.7800	0.000	1	106.8675	0.015	2	108.4985	1.570	15	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C-4:O-3:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(CCCH)(OLi2)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(CCCH)(OLi2){2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	108.9337	0.978	12	108.9337	0.957	12	108.9337	0.957	12	108.4985	1.570	15	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2C)(CH3)2	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(H){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2C)(CH3)2{2|O<1>,3|C<4>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	107.6645	0.023	2	107.6645	0.001	2	107.6645	0.001	2	106.3999	2.684	59	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){10|H<1>,1|N<2>,3|C<4>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	108.0960	0.000	1	107.3255	1.187	2	107.2067	0.636	3	106.3999	2.684	59	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){11|H<1>,1|N<3>,3|C<4>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	106.5550	0.000	1	107.3255	1.187	2	107.2067	0.636	3	106.3999	2.684	59	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HO)(CH3)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|O<2>,4|C<4>,6|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HO)(CH3){3|C<4>,5|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	106.9690	0.000	1	106.9690	0.000	1	107.2067	0.636	3	106.3999	2.684	59	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:	C[3x6](C[4x6]C[5,6,6]C[6,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[5,6,6]C[6,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){2|C<3>,4|C<4>,8|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,6|H<1>}	H(C[3x6]C[4x6]C[6,6]2)	106.1488	0.193	4	106.1488	0.037	4	105.5613	0.269	22	106.3999	2.684	59	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){10|H<1>,1|C<3>,4|C<4>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[3x6]C[4x6]C[6,6]2)	104.9020	0.000	1	105.4983	0.211	16	105.5613	0.269	22	106.3999	2.684	59	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){10|H<1>,1|C<3>,4|C<4>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[3x6]C[4x6]C[6,6]2)	105.2635	0.008	2	105.4983	0.211	16	105.5613	0.269	22	106.3999	2.684	59	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){10|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[3x6]C[4x6]C[6,6]2)	105.0750	0.000	1	105.4983	0.211	16	105.5613	0.269	22	106.3999	2.684	59	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){10|H<1>,5|C<4>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[3x6]C[4x6]C[6,6]2)	104.9430	0.000	1	105.4983	0.211	16	105.5613	0.269	22	106.3999	2.684	59	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,6|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[3x6]C[4x6]C[6,6]2)	104.6140	0.000	1	105.4983	0.211	16	105.5613	0.269	22	106.3999	2.684	59	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<1>,4|C<4>,8|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[3x6]C[4x6]C[6,6]2)	105.5050	0.000	1	105.4983	0.211	16	105.5613	0.269	22	106.3999	2.684	59	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){1|C<3>,5|C<4>,8|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[3x6]C[4x6]C[6,6]2)	105.9172	0.259	4	105.4983	0.211	16	105.5613	0.269	22	106.3999	2.684	59	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){2|C<3>,4|C<4>,8|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,6|H<1>}	H(C[3x6]C[4x6]C[6,6]2)	105.7476	0.232	5	105.4983	0.211	16	105.5613	0.269	22	106.3999	2.684	59	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){1|O<2>,5|C<4>,9|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[3x6]C[4x6]C[6,6]2)	104.8900	0.173	2	104.8900	0.030	2	105.5613	0.269	22	106.3999	2.684	59	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(H)	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[3x6]C[5,3x6]C[6,6]2)	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(H){10|H<1>,1|N<4>,4|C<4>}	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[3x6]C[5,3x6]C[6,6]2)	105.3780	0.000	1	105.0000	0.286	2	105.0000	0.286	2	106.3999	2.684	59	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(H)	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[3x6]C[5,3x6]C[6,6]2)	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(H){10|H<1>,5|C<4>}	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[3x6]C[5,3x6]C[6,6]2)	104.6220	0.000	1	105.0000	0.286	2	105.0000	0.286	2	106.3999	2.684	59	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	H(C[3x6]C[5,3x6]C[6,6]C[6])	C[3x6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){10|H<1>,1|N<3>,4|C<4>}	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|Cl<1>,4|C<4>,4|H<1>}	H(C[3x6]C[5,3x6]C[6,6]C[6])	107.5440	0.000	1	107.5440	0.000	1	107.5440	0.000	1	106.3999	2.684	59	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H)	C[6,6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[3x6]C[5,3x6]C[5,6,6]C[6,6])	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H){10|H<1>,1|O<2>,5|C<4>}	C[6,6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[3x6]C[5,3x6]C[5,6,6]C[6,6])	104.2755	0.472	2	104.1943	0.131	3	104.1943	0.131	3	106.3999	2.684	59	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H)	C[6,6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[3x6]C[5,3x6]C[5,6,6]C[6,6])	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H){11|H<1>,5|C<4>}	C[6,6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[3x6]C[5,3x6]C[5,6,6]C[6,6])	104.0320	0.000	1	104.1943	0.131	3	104.1943	0.131	3	106.3999	2.684	59	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(CH3)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(CH3)2{4|C<4>,4|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	106.2460	0.000	1	106.2460	0.000	1	106.5963	0.194	3	106.3999	2.684	59	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]HO)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(CH3)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,2|C<4>,2|O<1>,4|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(CH3)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[3x6]C[4x6]C[6,6]C[6])	106.4520	0.000	1	106.7715	0.204	2	106.5963	0.194	3	106.3999	2.684	59	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]HO)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(CH3)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]HO)(H){1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(CH3)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	107.0910	0.000	1	106.7715	0.204	2	106.5963	0.194	3	106.3999	2.684	59	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)2(CH3)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(CH3)2{2|O<1>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	108.2425	0.517	2	108.2425	0.267	2	108.3577	1.215	9	106.3999	2.684	59	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(CH3)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(H){2|C<4>,4|C<3>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(CH3)2{1|O<2>,2|C<4>,2|O<1>,3|H<1>}	H(C[3x6]C[6,6]3)	107.0785	1.452	2	107.0785	2.107	2	108.3577	1.215	9	106.3999	2.684	59	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6]O)(C[3x6]C[6,6]2H)(CH3)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(H){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[4x6]C[6]O)(C[3x6]C[6,6]2H)(CH3)2{4|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	109.4290	0.000	1	109.4290	0.000	1	108.3577	1.215	9	106.3999	2.684	59	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(CH3)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(H){1|H<1>,2|N<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(CH3)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	108.4620	0.000	1	108.4620	0.000	1	108.3577	1.215	9	106.3999	2.684	59	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(CC[6a]HH)(CCCH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(H){1|F<1>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(CC[6a]HH)(CCCH){2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	109.4580	0.348	2	109.4580	0.121	2	108.3577	1.215	9	106.3999	2.684	59	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[3]H)(C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(CH3)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[3]H)(C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(H){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(CH3)2{2|O<1>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	107.7700	0.000	1	107.7700	0.000	1	108.3577	1.215	9	106.3999	2.684	59	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[5]-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[5]C)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5]2Cr)(CH3)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[5]C)(C[6,6]C[3x6]HH)2(H){1|Cr<8>,3|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5]2Cr)(CH3){10|H<1>,4|C<4>}	H(C[3x6]C[6,6]3)	109.2840	0.004	2	109.2840	0.000	2	109.2840	0.000	2	106.3999	2.684	59	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]P[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]P[6,6]HH)(H){1|Pd<4>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)2{1|C<4>,1|P<4>,5|H<1>}	H(C[3x6]C[6,6]3)	108.2595	0.202	2	108.0920	0.072	5	108.0920	0.072	5	106.3999	2.684	59	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]P[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]P[6,6]HH)(H){1|Pt<4>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)2{1|C<4>,1|P<4>,5|H<1>}	H(C[3x6]C[6,6]3)	107.8705	0.285	2	108.0920	0.072	5	108.0920	0.072	5	106.3999	2.684	59	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]P[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]P[6,6]HH)(H){3|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)2{1|C<4>,1|P<4>,5|H<1>}	H(C[3x6]C[6,6]3)	108.2000	0.000	1	108.0920	0.072	5	108.0920	0.072	5	106.3999	2.684	59	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]N[6]HH)(C[6]O[6]CH)(CCHH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]N[6]HH)(C[6]O[6]CH)(CCHH){1|C<4>,2|C<3>,4|H<1>}	H(C[3x6]C[6,6]3)	107.6020	0.000	1	107.6020	0.000	1	105.1722	2.375	6	106.3999	2.684	59	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)2(H){1|O<2>,3|C<3>,3|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(CH3){2|C<3>,3|H<1>,4|C<4>}	H(C[3x6]C[6,6]3)	104.8970	0.000	1	104.8970	0.000	1	105.1722	2.375	6	106.3999	2.684	59	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2H)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2H)2(H){1|C<3>,1|O<2>,5|C<4>,8|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){4|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	106.2180	0.000	1	106.2180	0.000	1	105.1722	2.375	6	106.3999	2.684	59	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(CH3)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2C)(H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(CH3){2|O<2>,3|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	105.0660	0.000	1	105.0660	0.000	1	105.1722	2.375	6	106.3999	2.684	59	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6]O[6]O)(C[6,6]C[6]2C)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6]O[6]O)(C[6,6]C[6]2C)2(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[3x6]C[6,6]3)	103.6370	0.000	1	103.6250	0.000	2	105.1722	2.375	6	106.3999	2.684	59	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6]O[6]O)(C[6,6]C[6]2C)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6]O[6]O)(C[6,6]C[6]2C)2(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|O<2>,4|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	103.6130	0.000	1	103.6250	0.000	2	105.1722	2.375	6	106.3999	2.684	59	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6]-4:C[3x6]-4:C[6]-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH)(CH3)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|H<1>,3|O<2>,5|C<4>}	H(C[3x6]C[6,6]3)	103.1030	0.000	1	103.1030	0.000	1	103.1030	0.000	1	106.3999	2.684	59	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	4:4:4:5:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[5]-4:Ga-5:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[5]Ga)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5]2Ti)(GaTiC3)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[5]Ga)(C[6,6]C[3x6]HH)2(H){1|Ti<15>,3|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5]2Ti)(GaTiC3){10|H<1>,4|C<4>}	H(C[3x6]C[6,6]3)	109.2650	0.049	2	109.2650	0.002	2	109.2650	0.002	2	109.2650	0.002	2	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	4:4:4:1:	5:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-5:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]C[6,6]2NU)(C[3x6]C[6,6]2H)(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(H){1|U<12>,1|N<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2NU)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	108.6112	1.471	6	108.6112	2.164	6	108.6112	2.164	6	108.6112	2.164	6	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	5:4:4:1:	4:4:1:1:	4:	C[6,6]-5:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]IrLiH)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]IrLiH)(C[6,6]C[3x6]HH)2(H){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Ir<4>,1|Li<3>,1|H<2>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	108.4635	0.005	2	108.4635	0.000	2	108.4635	0.000	2	108.4635	0.000	2	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	H	6:4:3:1:	4:3:1:1:	4:	C[5x3,5x5,22x6]-6:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]O)(H)2	H(C[3x6]C[5x3,5x5,22x6]C[6,6]2)	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,5|B<6>,5|H<1>}	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]O)(H)2{1|C<3>,1|C<6>,2|H<1>,4|B<6>}	H(C[3x6]C[5x3,5x5,22x6]C[6,6]2)	111.1900	0.594	2	111.1900	0.353	2	111.1900	0.353	2	111.1900	0.353	2	109.5904	1.348	11639	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	3:4:3:1:	3:4:1:1:	4:	N[4x6]-3:C[6]-4:C[6,6]-3:H-1:	C[5a,6]-3:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](N[4x6]C[3x6]C[6,6])(C[6]C[5a,6]HH)(C[6,6]C[3x6]O)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(H)2	H(C[3x6]C[6,6]N[4x6]C[6])	C[3x6](N[4x6]C[3x6]C[6,6])(C[6]C[5a,6]HH)(C[6,6]C[3x6]O)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,3|C<4>}	H(C[3x6]C[6,6]N[4x6]C[6])	108.0530	0.000	1	107.8247	0.051	4	107.8247	0.051	4	107.8247	0.051	4	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	3:4:3:1:	3:4:1:1:	4:	N[4x6]-3:C[6]-4:C[6,6]-3:H-1:	C[5a,6]-3:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](N[4x6]C[3x6]C[6,6])(C[6]C[5a,6]HH)(C[6,6]C[3x6]O)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(H)2	H(C[3x6]C[6,6]N[4x6]C[6])	C[3x6](N[4x6]C[3x6]C[6,6])(C[6]C[5a,6]HH)(C[6,6]C[3x6]O)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,3|C<4>}	H(C[3x6]C[6,6]N[4x6]C[6])	107.7487	0.204	3	107.8247	0.051	4	107.8247	0.051	4	107.8247	0.051	4	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	N[4x6]-3:C[6,6]-4:C[6]-4:H-1:	C[5a,6]-3:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(H)2	H(C[3x6]C[6,6]N[4x6]C[6])	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	H(C[3x6]C[6,6]N[4x6]C[6])	108.4360	0.000	1	108.2735	0.053	2	108.2735	0.053	2	108.2735	0.053	2	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	N[4x6]-3:C[6,6]-4:C[6]-4:H-1:	C[5a,6]-3:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(H)2	H(C[3x6]C[6,6]N[4x6]C[6])	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	H(C[3x6]C[6,6]N[4x6]C[6])	108.1110	0.000	1	108.2735	0.053	2	108.2735	0.053	2	108.2735	0.053	2	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	3:4:4:1:	3:4:2:1:	4:	N[4x6]-3:C[6,6]-4:C[6]-4:H-1:	C[5a,6]-3:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(OH)(H)	H(C[3x6]C[6,6]N[4x6]C[6])	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HO)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(OH)(H){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	H(C[3x6]C[6,6]N[4x6]C[6])	107.6650	0.000	1	107.6650	0.000	1	107.6650	0.000	1	107.6650	0.000	1	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[3x6]-3:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[3x6]2C[6])	107.1160	0.000	1	107.1160	0.000	1	107.1160	0.000	1	107.1160	0.000	1	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[3x6]-3:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]CH)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(COO)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]CH)(H){1|Br<1>,1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(COO)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[3x6]2C[6])	105.8920	0.000	1	105.8660	0.001	2	105.8660	0.001	2	105.8660	0.001	2	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[3x6]-3:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]CH)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(COO)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]CH)(H){2|Br<1>,1|C<3>,2|C<4>,5|H<1>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(COO)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[3x6]2C[6])	105.8400	0.000	1	105.8660	0.001	2	105.8660	0.001	2	105.8660	0.001	2	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[4x6]-4:C[6,6]-3:C[6]-4:H-1:	C[3x6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[6]C[6]HH)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]H)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	108.4380	0.000	1	108.4380	0.000	1	108.4380	0.000	1	108.4380	0.000	1	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[4x6]-4:N[3x6]-3:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[5,3x6]C[6,6]H)(N[3x6]C[3x6]C[6,6])(C[6]C[6]HH)(H)	C[6](C[3x6]C[4x6]N[3x6]H)(C[6]C[6]HH)(H)2	H(C[3x6]C[4x6]N[3x6]C[6])	C[3x6](C[4x6]C[5,3x6]C[6,6]H)(N[3x6]C[3x6]C[6,6])(C[6]C[6]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6](C[3x6]C[4x6]N[3x6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[3x6]C[4x6]N[3x6]C[6])	106.1530	0.000	1	106.1530	0.000	1	106.1530	0.000	1	106.1530	0.000	1	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,4x6]-4:N[3x6]-3:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[5,4x6]C[5,3x6]C[3x6]C[5])(N[3x6]C[3x6]C[6,6])(C[6]C[6]CH)(H)	C[6](C[3x6]C[5,4x6]N[3x6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[3x6]C[5,4x6]N[3x6]C[6])	C[3x6](C[5,4x6]C[5,3x6]C[3x6]C[5])(N[3x6]C[3x6]C[6,6])(C[6]C[6]CH)(H){1|O<2>,7|C<4>,7|H<1>}	C[6](C[3x6]C[5,4x6]N[3x6]H)(C[6]C[6]HH)(CCCH)(H){2|H<1>,5|C<4>}	H(C[3x6]C[5,4x6]N[3x6]C[6])	106.2350	0.000	1	106.2350	0.000	1	106.2350	0.000	1	106.2350	0.000	1	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:3:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-3:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(C[6]C[6]CC)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(C[6]C[6]CC)(H){3|C<4>,3|O<2>,6|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	104.8710	0.000	1	104.8710	0.000	1	105.2715	0.321	2	105.2715	0.321	2	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:3:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-3:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]O)(C[6]C[6]CC)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]O)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	105.6720	0.000	1	105.6720	0.000	1	105.2715	0.321	2	105.2715	0.321	2	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6]C[6,6]HH)(O[6,6]C[3x6])(H)	C[6](C[3x6]C[4x6]O[6,6]H)(C[6,6]C[6,6]O[6,6]H)(H)2	H(C[3x6]C[4x6]O[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6]C[6,6]HH)(O[6,6]C[3x6])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[3x6]C[4x6]O[6,6]H)(C[6,6]C[6,6]O[6,6]H)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[3x6]C[4x6]O[6,6]C[6])	109.1070	0.000	1	109.1070	0.000	1	109.1070	0.000	1	109.1070	0.000	1	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:S[6]-2:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[4x6]C[3x6]O[6,6]O)(C[6]S[6]HH)(H)	C[6](C[3x6]C[3x6]C[4x6]H)(S[6]C[6])(H)2	H(C[3x6]C[3x6]C[4x6]C[6])	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[4x6]C[3x6]O[6,6]O)(C[6]S[6]HH)(H){2|H<1>,4|C<4>}	C[6](C[3x6]C[3x6]C[4x6]H)(S[6]C[6])(H)2{2|C<4>,3|H<1>,3|O<2>}	H(C[3x6]C[3x6]C[4x6]C[6])	107.5430	0.000	1	107.5430	0.000	1	107.7635	0.097	2	107.8306	0.625	5	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:S[6]-2:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[4x6]O[6,6]2C[6])(C[6]S[6]HH)(H)	C[6](C[3x6]C[3x6]C[4x6]H)(S[6]C[6])(H)2	H(C[3x6]C[3x6]C[4x6]C[6])	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[4x6]O[6,6]2C[6])(C[6]S[6]HH)(H){3|H<1>,4|C<4>}	C[6](C[3x6]C[3x6]C[4x6]H)(S[6]C[6])(H)2{2|C<4>,3|H<1>,3|O<2>}	H(C[3x6]C[3x6]C[4x6]C[6])	107.9840	0.000	1	107.9840	0.000	1	107.7635	0.097	2	107.8306	0.625	5	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:O[6]-2:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[5,6]C[6]N[6])(C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(H)	C[6](C[3x6]C[3x6]C[6,6]H)(O[6]C[6])(H)2	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[5,6]C[6]N[6])(C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(H){2|C<3>,2|C<4>,3|H<1>,3|O<2>}	C[6](C[3x6]C[3x6]C[6,6]H)(O[6]C[6])(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.1880	0.000	1	107.1880	0.000	1	107.1880	0.000	1	107.8306	0.625	5	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[4x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:S[6]-2:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]O[6,6]O)(C[3x6]O[6,6]2C)(C[6]S[6]HH)(H)	C[6](C[3x6]C[3x6]C[4x6]H)(S[6]C[6])(H)2	H(C[3x6]C[3x6]C[4x6]C[6])	C[3x6](C[4x6]C[3x6]O[6,6]O)(C[3x6]O[6,6]2C)(C[6]S[6]HH)(H){1|H<1>,3|C<4>}	C[6](C[3x6]C[3x6]C[4x6]H)(S[6]C[6])(H)2{2|C<4>,2|H<1>,4|O<2>}	H(C[3x6]C[3x6]C[4x6]C[6])	107.3030	0.000	1	107.3030	0.000	1	107.3030	0.000	1	107.8306	0.625	5	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:O[6]-2:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]Cl)(C[6,6]C[3x6]HH)(C[6]O[6]HH)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(O[6]C[6])(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]Cl)(C[6,6]C[3x6]HH)(C[6]O[6]HH)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[3x6]C[4x6]C[6,6]H)(O[6]C[6])(H)2{1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	109.1350	0.000	1	109.1350	0.000	1	109.1350	0.000	1	107.8306	0.625	5	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:2:2:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:O[6]-2:O-2:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6a]O[6]2)(C[6,6]C[6,6a]2H)(C[6]O[6]HO)(H)	C[6](C[3x6]C[3x6]C[6,6]H)(O[6]C[6,6a])(OC)(H)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6a]O[6]2)(C[6,6]C[6,6a]2H)(C[6]O[6]HO)(H){6|C<3>}	C[6](C[3x6]C[3x6]C[6,6]H)(O[6]C[6,6a])(OC)(H){1|H<1>,2|O<2>,4|C<3>}	H(C[3x6]C[3x6]C[6,6]C[6])	108.3920	0.000	1	108.3920	0.000	1	108.3920	0.000	1	108.3920	0.000	1	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:O[6]-2:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]N[5a,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]O[6]CH)(H)	C[6](C[3x6]C[3x6]C[6,6]H)(O[6]C[6])(CH3)(H)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[6,6]N[5a,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]O[6]CH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[3x6]C[3x6]C[6,6]H)(O[6]C[6])(CH3)(H){2|C<4>,2|N<3>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.3520	0.000	1	107.4360	0.014	2	107.4360	0.014	2	107.4360	0.014	2	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:O[6]-2:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]N[5a,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]O[6]CH)(H)	C[6](C[3x6]C[3x6]C[6,6]H)(O[6]C[6])(CH3)(H)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[6,6]N[5a,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]O[6]CH)(H){2|H<1>,3|C<3>,3|C<4>}	C[6](C[3x6]C[3x6]C[6,6]H)(O[6]C[6])(CH3)(H){2|C<4>,2|N<3>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.5200	0.000	1	107.4360	0.014	2	107.4360	0.014	2	107.4360	0.014	2	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6a]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(C[6]C[6,6a]HH)(H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(C[6]C[6,6a]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[3x6]C[3x6]C[6,6]C[6])	106.5815	0.870	2	106.5815	0.758	2	106.5815	0.758	2	108.2716	0.727	25	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]O)(H)2	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,6|H<1>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<4>,1|O<2>,2|C<3>,2|C<4>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.8110	0.000	1	107.8110	0.000	1	107.8110	0.000	1	108.2716	0.727	25	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[4,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:N[6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[4,3x6]C[4,6,6]C[4,6]H)(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H)	C[6](C[3x6]C[4,3x6]C[6,6]H)(N[6]C[6]S)(H)2	H(C[3x6]C[4,3x6]C[6,6]C[6])	C[3x6](C[4,3x6]C[4,6,6]C[4,6]H)(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H){1|S<4>,3|C<4>,4|H<1>}	C[6](C[3x6]C[4,3x6]C[6,6]H)(N[6]C[6]S)(H)2{3|C<4>,5|H<1>}	H(C[3x6]C[4,3x6]C[6,6]C[6])	108.3350	0.000	1	108.3350	0.000	1	108.3350	0.000	1	108.2716	0.727	25	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6a]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6,6a]HH)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	108.1715	0.187	2	108.1715	0.035	2	108.5743	0.504	3	108.2716	0.727	25	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6a]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[6,6a]HH)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|N<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	109.3800	0.000	1	109.3800	0.000	1	108.5743	0.504	3	108.2716	0.727	25	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]H)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]H)(H)2{1|Br<1>,2|H<1>,4|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	108.5760	0.318	3	108.5760	0.101	3	108.5332	0.446	15	108.2716	0.727	25	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]O[6]O)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]O[6]O)(H)2{3|C<4>,3|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	109.3560	0.000	1	109.3560	0.000	1	108.5332	0.446	15	108.2716	0.727	25	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]H)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	108.7065	0.325	2	108.8296	0.062	8	108.5332	0.446	15	108.2716	0.727	25	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]H)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	108.8707	0.241	6	108.8296	0.062	8	108.5332	0.446	15	108.2716	0.727	25	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]O)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]O)(H)2{4|C<4>,4|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	106.8340	0.000	1	107.2455	0.339	2	108.5332	0.446	15	108.2716	0.727	25	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]O)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<1>,5|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	107.6570	0.000	1	107.2455	0.339	2	108.5332	0.446	15	108.2716	0.727	25	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]O[6,6]2C[6])(C[6,6]C[5x6]HH)(C[6]C[6]HH)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]H)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]O[6,6]2C[6])(C[6,6]C[5x6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]H)(H)2{2|C<4>,2|O<2>,3|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	107.7860	0.000	1	107.7860	0.000	1	108.5332	0.446	15	108.2716	0.727	25	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:N[6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]N[6]HH)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(N[6]C[6]S)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]N[6]HH)(H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	108.4690	0.187	2	108.4690	0.035	2	108.4690	0.035	2	108.2716	0.727	25	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[5,3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6]C[6]HH)(H)	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]O)(H)2	H(C[3x6]C[5,3x6]C[5,6,6]C[6])	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[3x6]C[5,3x6]C[5,6,6]C[6])	106.8220	0.000	1	106.8220	0.000	1	106.8220	0.000	1	108.2716	0.727	25	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-3:O-2:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HO)(H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6,6]H)(OH)(H)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,7|H<1>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6,6]H)(OH)(H){1|C<3>,6|C<4>}	H(C[3x6]C[3x6]C[6,6]C[6])	106.6880	0.000	1	106.6880	0.000	1	106.6880	0.000	1	107.5265	1.262	11	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6a]-3:O-2:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]HO)(H)	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(OC)(H)	H(C[3x6]C[5,3x6]C[3x6]C[6])	C[3x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]HO)(H){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(OC)(H){2|C<3>,3|H<1>,4|C<4>}	H(C[3x6]C[5,3x6]C[3x6]C[6])	105.5360	0.000	1	105.5360	0.000	1	106.0535	0.536	2	107.5265	1.262	11	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6a]-3:O-2:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]HO)(H)	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	H(C[3x6]C[5,3x6]C[3x6]C[6])	C[3x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]HO)(H){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){2|C<3>,3|H<1>,4|C<4>}	H(C[3x6]C[5,3x6]C[3x6]C[6])	106.5710	0.000	1	106.5710	0.000	1	106.0535	0.536	2	107.5265	1.262	11	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6a]-3:O-2:H-1:	C[3x6]-4:	C[3x6](C[5,4x6]C[5,6,6]N[5,6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]HO)(H)	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	H(C[3x6]C[5,4x6]C[6,6]C[6])	C[3x6](C[5,4x6]C[5,6,6]N[5,6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]HO)(H){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	H(C[3x6]C[5,4x6]C[6,6]C[6])	108.1270	0.000	1	108.1270	0.000	1	108.5894	0.149	5	107.5265	1.262	11	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6a]-3:O-2:H-1:	C[3x6]-4:	C[3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]HO)(H)	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	H(C[3x6]C[5,4x6]C[6,6]C[6])	C[3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]HO)(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	H(C[3x6]C[5,4x6]C[6,6]C[6])	108.6293	0.361	3	108.7050	0.110	4	108.5894	0.149	5	107.5265	1.262	11	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6a]-3:O-2:H-1:	C[3x6]-4:	C[3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]HO)(H)	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	H(C[3x6]C[5,4x6]C[6,6]C[6])	C[3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]HO)(H){1|C<4>,1|O<2>,6|C<3>}	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	H(C[3x6]C[5,4x6]C[6,6]C[6])	108.9320	0.000	1	108.7050	0.110	4	108.5894	0.149	5	107.5265	1.262	11	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-3:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]HO)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[5,6,6]O)(OC)(H)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]HO)(H){1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[5,6,6]O)(OC)(H){1|C<3>,7|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	107.1210	0.000	1	107.1210	0.000	1	107.0350	0.015	2	107.5265	1.262	11	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-3:O-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]HO)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[5,6,6]O)(OH)(H)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,2|C<4>,2|O<1>,4|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[5,6,6]O)(OH)(H){2|C<3>,6|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	106.9490	0.000	1	106.9490	0.000	1	107.0350	0.015	2	107.5265	1.262	11	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	N[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6a]-3:O[6]-2:H-1:	C[3x6]-4:	C[3x6](N[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6a]O[6]H)(H)	C[6](C[3x6]C[6,6]N[4x6]H)(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H)	H(C[3x6]C[6,6]N[4x6]C[6])	C[3x6](N[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6a]O[6]H)(H){2|C<3>,3|C<4>,7|H<1>}	C[6](C[3x6]C[6,6]N[4x6]H)(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H){1|O<1>,3|C<3>,3|H<1>,5|C<4>}	H(C[3x6]C[6,6]N[4x6]C[6])	106.9800	0.000	1	106.9800	0.000	1	106.9800	0.000	1	107.5265	1.262	11	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6a]-3:N[6]-3:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]O[6,6]H)(C[6,6]N[3x6]C[6a]H)(C[6]C[6a]N[6]H)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]O[6,6]H)(C[6,6]N[3x6]C[6a]H)(C[6]C[6a]N[6]H)(H){2|H<1>,3|C<4>,4|C<3>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,5|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	109.2580	0.221	2	109.2580	0.049	2	109.2580	0.049	2	109.2580	0.049	2	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6a]-3:C-4:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6,6a]CH)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6,6a]CH)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	108.2170	0.000	1	108.2170	0.000	1	108.2170	0.000	1	108.2170	0.000	1	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:3:4:2:	4:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-3:C-4:O-2:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]C)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CH3)(OH)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]C)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CH3)(OH){1|H<1>,2|C<3>,4|C<4>}	H(C[3x6]C[3x6]2C[6])	106.7600	0.000	1	106.7600	0.000	1	106.5242	0.447	5	106.7649	0.462	8	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:3:4:2:	4:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-3:C-4:O-2:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CCCH)(OH)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CCCH)(OH){2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[3x6]2C[6])	107.0370	0.139	2	107.0370	0.019	2	106.5242	0.447	5	106.7649	0.462	8	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:3:4:2:	4:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-3:C-4:O-2:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CH3)(OH)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CH3)(OH){2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[3x6]2C[6])	105.8935	0.626	2	105.8935	0.392	2	106.5242	0.447	5	106.7649	0.462	8	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:3:4:2:	4:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-3:C-4:O-2:	C[3x6]-4:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CO)(H)	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[6]O)(CCHH)(OH)	H(C[3x6]C[5,3x6]C[3x6]C[6])	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CO)(H){1|O<1>,2|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[6]O)(CCHH)(OH){2|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[5,3x6]C[3x6]C[6])	107.8360	0.000	1	107.8360	0.000	1	107.8360	0.000	1	106.7649	0.462	8	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:3:4:2:	4:	C[5,4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6a]-3:C-4:O-2:	C[3x6]-4:	C[3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]CO)(H)	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	H(C[3x6]C[5,4x6]C[6,6]C[6])	C[3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]CO)(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	H(C[3x6]C[5,4x6]C[6,6]C[6])	106.8310	0.023	2	106.8310	0.001	2	106.8310	0.001	2	106.7649	0.462	8	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[5,6]-3:C-4:C-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5,6]CC)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[5,6]C[5,6]N[5])(CH3)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5,6]CC)(H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[5,6]C[5,6]N[5])(CH3)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	106.6720	0.000	1	106.6720	0.000	1	106.6720	0.000	1	105.8978	0.970	8	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[5a,6]-3:C-4:C-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5a,6]CC)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[5a,6]C[5a,6]N[5a])(CH3)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5a,6]CC)(H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,3|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[5a,6]C[5a,6]N[5a])(CH3)2{1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[3x6]C[4x6]C[6,6]C[6])	106.3020	0.000	1	106.3492	0.056	5	106.3492	0.056	5	105.8978	0.970	8	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[5a,6]-3:C-4:C-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5a,6]CC)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[5a,6]C[5a,6]N[5a])(CH3)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5a,6]CC)(H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,3|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[5a,6]C[5a,6]N[5a])(CH3)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	106.2443	0.169	3	106.3492	0.056	5	106.3492	0.056	5	105.8978	0.970	8	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[5a,6]-3:C-4:C-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5a,6]CC)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[5a,6]C[5a,6]N[5a])(CH3)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5a,6]CC)(H){1|C<4>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[5a,6]C[5a,6]N[5a])(CH3)2{1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[3x6]C[4x6]C[6,6]C[6])	106.7110	0.000	1	106.3492	0.056	5	106.3492	0.056	5	105.8978	0.970	8	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-3:C-4:C-4:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]H)(CH3)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){1|C<3>,1|N<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]H)(CH3)2{1|O<2>,2|H<1>,4|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	104.8020	0.000	1	104.8020	0.000	1	104.8020	0.000	1	105.8978	0.970	8	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,3x6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-3:C-4:C-4:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,6]2C[6])(C[5,6,6]C[5,6]2H)(C[6]C[6]CC)(H)	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]O)(CCHH)(CH3)	H(C[3x6]C[5,3x6]C[5,6,6]C[6])	C[3x6](C[5,3x6]C[5,6]2C[6])(C[5,6,6]C[5,6]2H)(C[6]C[6]CC)(H){1|C<3>,1|O<1>,2|C<4>,9|H<1>}	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]O)(CCHH)(CH3){1|C<3>,2|H<1>,4|C<4>}	H(C[3x6]C[5,3x6]C[5,6,6]C[6])	103.9620	0.000	1	103.9620	0.000	1	103.9620	0.000	1	105.8978	0.970	8	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]HH)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[3x6]2C[6])	107.8820	0.000	1	106.8950	1.948	2	106.5296	2.596	5	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]HH)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]HH)(H){3|H<1>,6|C<3>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[3x6]C[3x6]2C[6])	105.9080	0.000	1	106.8950	1.948	2	106.5296	2.596	5	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]2Cl)(C[6]C[6]HH)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]2Cl)(C[6]C[6]HH)(H){2|Cl<1>,1|C<4>,3|C<3>,4|H<1>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2{1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[3x6]2C[6])	105.3440	1.633	2	105.3440	2.668	2	106.5296	2.596	5	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6,6a]2C[6a])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[6,6,6a]2C[6a])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(H){1|C<4>,5|H<1>,6|C<3>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[3x6]C[3x6]2C[6])	108.1700	0.000	1	108.1700	0.000	1	106.5296	2.596	5	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]C[6]C)(C[4x6]C[6,6]2C[6])(C[6]C[6]HH)(H)	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6]CC)(H)2	H(C[3x6]C[3x6]C[4x6]C[6])	C[3x6](C[3x6]C[4x6]C[6]C)(C[4x6]C[6,6]2C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|O<1>,4|H<1>,5|C<4>}	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[3x6]C[3x6]C[4x6]C[6])	106.6230	0.000	1	106.6230	0.000	1	105.5645	2.241	2	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]N[5,6,6]C[4x6]H)(C[4x6]C[5,3x6]C[4x6]O)(C[6]C[6]HH)(H)	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	H(C[3x6]C[3x6]C[4x6]C[6])	C[3x6](C[3x6]N[5,6,6]C[4x6]H)(C[4x6]C[5,3x6]C[4x6]O)(C[6]C[6]HH)(H){5|H<1>,6|C<4>}	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,5|C<4>}	H(C[3x6]C[3x6]C[4x6]C[6])	104.5060	0.000	1	104.5060	0.000	1	105.5645	2.241	2	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3,6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[3,6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,3|O<2>,4|C<4>,6|H<1>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.4380	0.000	1	107.4380	0.000	1	106.9916	0.997	18	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[4x6]HH)(H)2	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){11|H<1>,1|N<3>,3|C<4>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[4x6]HH)(H)2{8|C<4>}	H(C[3x6]C[3x6]C[6,6]C[6])	106.5240	0.000	1	106.5240	0.000	1	106.9916	0.997	18	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]2C)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<2>,2|H<1>,3|C<3>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.9430	0.351	2	107.9430	0.123	2	106.9916	0.997	18	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<2>,2|H<1>,3|C<3>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.8430	0.000	1	107.8430	0.000	1	106.9916	0.997	18	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|O<2>,4|C<4>,6|H<1>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[3x6]C[3x6]C[6,6]C[6])	106.9490	0.000	1	106.9490	0.000	1	106.9916	0.997	18	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]C[6]N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6]C[6]N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,8|H<1>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.5350	0.150	2	107.5350	0.022	2	106.9916	0.997	18	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,8|H<1>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.0700	0.000	1	107.3603	0.078	3	106.9916	0.997	18	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,9|H<1>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,3|C<4>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.5055	0.169	2	107.3603	0.078	3	106.9916	0.997	18	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){10|H<1>,1|C<3>,1|S<4>,2|C<4>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	H(C[3x6]C[3x6]C[6,6]C[6])	105.4995	0.793	4	105.9782	1.020	6	106.9916	0.997	18	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){10|H<1>,2|C<3>,2|C<4>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<4>}	H(C[3x6]C[3x6]C[6,6]C[6])	106.4540	0.000	1	105.9782	1.020	6	106.9916	0.997	18	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){11|H<1>,1|C<4>,2|C<3>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<4>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.4170	0.000	1	105.9782	1.020	6	106.9916	0.997	18	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(H){1|P<4>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	108.1880	0.000	1	108.1880	0.000	1	106.9916	0.997	18	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:I-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]2H)(C[6]C[6]HI)(H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]O[6]CH)(H)(I)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]2H)(C[6]C[6]HI)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>,3|O<1>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]O[6]CH)(H)(I){1|H<1>,5|C<3>}	H(C[3x6]C[3x6]C[6,6]C[6])	108.4280	0.000	1	108.4280	0.000	1	108.4280	0.000	1	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4,3x6]C[4,6,6]C[4,6]C[6])(C[3x6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[3x6]C[4,3x6]C[3x6]H)(C[6]C[5,6]HH)(H)2	H(C[3x6]C[4,3x6]C[3x6]C[6])	C[3x6](C[4,3x6]C[4,6,6]C[4,6]C[6])(C[3x6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,9|H<1>}	C[6](C[3x6]C[4,3x6]C[3x6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[3x6]C[4,3x6]C[3x6]C[6])	106.4605	0.145	2	106.4605	0.021	2	106.4605	0.021	2	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4,3x6]C[4,5,6]C[4,6,6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[3x6]C[4,3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[3x6]C[4,3x6]C[6,6]C[6])	C[3x6](C[4,3x6]C[4,5,6]C[4,6,6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[3x6]C[4,3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[3x6]C[4,3x6]C[6,6]C[6])	109.1390	0.000	1	109.1390	0.000	1	108.3688	0.290	4	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4,3x6]C[4,6,6]C[4,6]C)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[3x6]C[4,3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[3x6]C[4,3x6]C[6,6]C[6])	C[3x6](C[4,3x6]C[4,6,6]C[4,6]C)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[3x6]C[4,3x6]C[6,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[3x6]C[4,3x6]C[6,6]C[6])	108.0705	0.260	2	108.1120	0.039	3	108.3688	0.290	4	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4,3x6]C[4,6,6]C[4,6]C)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[3x6]C[4,3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[3x6]C[4,3x6]C[6,6]C[6])	C[3x6](C[4,3x6]C[4,6,6]C[4,6]C)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[3x6]C[4,3x6]C[6,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[3x6]C[4,3x6]C[6,6]C[6])	108.1950	0.000	1	108.1120	0.039	3	108.3688	0.290	4	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6]HH)(H)2	H(C[3x6]C[3x6]C[4x6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(H){4|C<4>,4|O<2>,7|H<1>}	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	H(C[3x6]C[3x6]C[4x6]C[6])	106.8340	0.000	1	106.8340	0.000	1	106.0365	2.220	4	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[5,6]C[6,6]O[6,6])(C[3x6]C[4x6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	H(C[3x6]C[3x6]C[4x6]C[6])	C[3x6](C[4x6]C[5,6]C[6,6]O[6,6])(C[3x6]C[4x6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[3x6]C[3x6]C[4x6]C[6])	103.8150	0.000	1	103.8150	0.000	1	106.0365	2.220	4	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]N[5a,6,6]C[6,6]C[6])(C[3x6]C[4x6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6a]C[6]H)(H)2	H(C[3x6]C[3x6]C[4x6]C[6])	C[3x6](C[4x6]N[5a,6,6]C[6,6]C[6])(C[3x6]C[4x6]C[6]C)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6a]C[6]H)(H)2{1|N<3>,2|H<1>,3|C<4>,4|C<3>}	H(C[3x6]C[3x6]C[4x6]C[6])	106.7485	0.275	2	106.7485	0.076	2	106.0365	2.220	4	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[5,3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3,6,6]C[3x6]C[6,6])(C[5,3x6]C[3x6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	H(C[3x6]C[5,3x6]C[4x6]C[6])	C[3x6](C[4x6]C[3,6,6]C[3x6]C[6,6])(C[5,3x6]C[3x6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|O<2>,6|H<1>}	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[3x6]C[5,3x6]C[4x6]C[6])	105.5330	0.000	1	105.5330	0.000	1	105.5330	0.000	1	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(C[6]C[3x6]HH)(H)	C[6](C[3x6]C[6,6]O[6,6]C[6])(C[3x6]C[4x6]C[6,6]H)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(C[6]C[3x6]HH)(H){2|C<3>,3|C<4>,3|H<1>,3|O<2>}	C[6](C[3x6]C[6,6]O[6,6]C[6])(C[3x6]C[4x6]C[6,6]H)(H)2{3|C<3>,4|C<4>,4|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	107.9100	0.000	1	107.9100	0.000	1	107.9100	0.000	1	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]O[6,6]O)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]O[6,6]O)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	108.6860	0.000	1	108.6860	0.000	1	107.6508	0.427	22	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	107.7880	0.107	2	107.7880	0.012	2	107.6508	0.427	22	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[5,6,6]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HO)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[5,6,6]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	107.8820	0.272	4	107.8820	0.074	4	107.6508	0.427	22	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	107.1790	0.000	1	107.2563	0.037	4	107.6508	0.427	22	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|O<1>,1|S<3>,3|C<4>,6|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	107.3970	0.151	2	107.2563	0.037	4	107.6508	0.427	22	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,8|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	107.0520	0.000	1	107.2563	0.037	4	107.6508	0.427	22	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HO)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	108.1270	0.000	1	108.1270	0.000	1	107.6508	0.427	22	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]N[6]HH)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,8|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>,3|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	108.3140	0.000	1	108.3140	0.000	1	107.6508	0.427	22	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]O[6]CO)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]O[6]CO)(H)2{2|H<1>,4|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	107.3110	0.000	1	107.3110	0.000	1	107.6508	0.427	22	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[6]HH)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,4|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	108.2695	0.344	2	108.2695	0.119	2	107.6508	0.427	22	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,9|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	106.4695	0.101	2	106.4695	0.010	2	107.6508	0.427	22	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]CC)(C[6]C[6]HH)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]CC)(C[6]C[6]HH)(H){1|Br<1>,1|C<4>,3|H<1>,4|C<3>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	107.0330	0.000	1	106.8445	0.071	2	107.6508	0.427	22	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]CC)(C[6]C[6]HH)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]CC)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<3>,4|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	106.6560	0.000	1	106.8445	0.071	2	107.6508	0.427	22	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6a]N[6,6]2)(C[6,6]C[3x6]C[6a]H)(C[6]C[6]HH)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6a]N[6,6]2)(C[6,6]C[3x6]C[6a]H)(C[6]C[6]HH)(H){5|H<1>,6|C<3>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,2|N<3>,3|C<3>}	H(C[3x6]C[4x6]C[6,6]C[6])	108.2920	0.153	2	108.2920	0.023	2	107.6508	0.427	22	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[5,6]HH)(H)2	H(C[3x6]C[5,3x6]C[3x6]C[6])	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){1|Br<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[5,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[5,3x6]C[3x6]C[6])	106.4960	0.000	1	106.4960	0.000	1	106.3616	1.583	5	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[6]HH)(H)2	H(C[3x6]C[5,3x6]C[3x6]C[6])	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){1|C<3>,2|O<1>,3|C<4>,7|H<1>}	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[5,3x6]C[3x6]C[6])	107.0720	0.000	1	107.0720	0.000	1	106.3616	1.583	5	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,3x6]C[6]N[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[6]HH)(H)2	H(C[3x6]C[5,3x6]C[3x6]C[6])	C[3x6](C[5,3x6]C[5,3x6]C[6]N[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[5,3x6]C[3x6]C[6])	107.7000	0.000	1	107.7000	0.000	1	106.3616	1.583	5	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[6]HH)(H)2	H(C[3x6]C[5,3x6]C[3x6]C[6])	C[3x6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(H){2|Cl<1>,1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[3x6]C[5,3x6]C[3x6]C[6])	105.2700	1.278	2	105.2700	1.634	2	106.3616	1.583	5	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	H(C[3x6]C[5,3x6]C[4x6]C[6])	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,4|O<2>,7|H<1>}	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[3x6]C[5,3x6]C[4x6]C[6])	107.2000	0.349	2	107.3457	0.164	8	106.9257	0.511	12	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	H(C[3x6]C[5,3x6]C[4x6]C[6])	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,2|O<1>,3|O<2>,4|C<4>,6|H<1>}	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[3x6]C[5,3x6]C[4x6]C[6])	107.6155	0.033	2	107.3457	0.164	8	106.9257	0.511	12	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	H(C[3x6]C[5,3x6]C[4x6]C[6])	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|O<2>,9|H<1>}	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[3x6]C[5,3x6]C[4x6]C[6])	106.9560	0.000	1	107.3457	0.164	8	106.9257	0.511	12	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	H(C[3x6]C[5,3x6]C[4x6]C[6])	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|O<2>,9|H<1>}	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[3x6]C[5,3x6]C[4x6]C[6])	106.8590	0.000	1	107.3457	0.164	8	106.9257	0.511	12	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	H(C[3x6]C[5,3x6]C[4x6]C[6])	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,5|O<2>,8|H<1>}	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[3x6]C[5,3x6]C[4x6]C[6])	107.3060	0.000	1	107.3457	0.164	8	106.9257	0.511	12	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	H(C[3x6]C[5,3x6]C[4x6]C[6])	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|O<2>,7|H<1>}	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[3x6]C[5,3x6]C[4x6]C[6])	108.0140	0.000	1	107.3457	0.164	8	106.9257	0.511	12	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[6]HH)(H)2	H(C[3x6]C[5,3x6]C[4x6]C[6])	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<1>,4|C<4>,5|O<2>,7|H<1>}	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[3x6]C[5,3x6]C[4x6]C[6])	106.0855	0.281	4	106.0855	0.079	4	106.9257	0.511	12	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]N[5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H)	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]HH)(H)2	H(C[3x6]C[5,3x6]C[5,6,6]C[6])	C[3x6](C[5,3x6]N[5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[3x6]C[5,3x6]C[5,6,6]C[6])	108.0530	1.138	3	108.3620	1.361	6	108.3620	1.361	6	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]N[5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H)	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]HH)(H)2	H(C[3x6]C[5,3x6]C[5,6,6]C[6])	C[3x6](C[5,3x6]N[5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	H(C[3x6]C[5,3x6]C[5,6,6]C[6])	108.6710	1.350	3	108.3620	1.361	6	108.3620	1.361	6	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[5,4x6]HH)(H)2	H(C[3x6]C[5,3x6]C[6,6]C[6])	C[3x6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){10|H<1>,1|N<3>,4|C<4>}	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[5,4x6]HH)(H)2{8|C<4>}	H(C[3x6]C[5,3x6]C[6,6]C[6])	107.5190	0.000	1	107.5190	0.000	1	107.0650	1.402	10	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[3x6]C[5,3x6]C[6,6]C[6])	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	H(C[3x6]C[5,3x6]C[6,6]C[6])	108.3100	0.000	1	107.8186	0.279	5	107.0650	1.402	10	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[3x6]C[5,3x6]C[6,6]C[6])	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|N<3>,3|C<4>}	H(C[3x6]C[5,3x6]C[6,6]C[6])	108.4510	0.000	1	107.8186	0.279	5	107.0650	1.402	10	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[3x6]C[5,3x6]C[6,6]C[6])	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(C[3x6]C[5,3x6]C[6,6]C[6])	107.4440	0.161	3	107.8186	0.279	5	107.0650	1.402	10	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[3x6]C[5,3x6]C[6,6]C[6])	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[5,3x6]C[6,6]C[6])	107.6060	0.000	1	106.0095	1.333	4	107.0650	1.402	10	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[3x6]C[5,3x6]C[6,6]C[6])	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<4>}	H(C[3x6]C[5,3x6]C[6,6]C[6])	104.8500	0.000	1	106.0095	1.333	4	107.0650	1.402	10	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[3x6]C[5,3x6]C[6,6]C[6])	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|Cl<1>,2|C<3>,3|C<4>,8|H<1>}	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<4>}	H(C[3x6]C[5,3x6]C[6,6]C[6])	105.7200	0.000	1	106.0095	1.333	4	107.0650	1.402	10	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[3x6]C[5,3x6]C[6,6]C[6])	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<4>}	H(C[3x6]C[5,3x6]C[6,6]C[6])	105.8620	0.000	1	106.0095	1.333	4	107.0650	1.402	10	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,4x6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,4x6]C[5,6,6]C[4x6]C[5])(C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)	C[6](C[3x6]C[5,4x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	H(C[3x6]C[5,4x6]C[4x6]C[6])	C[3x6](C[5,4x6]C[5,6,6]C[4x6]C[5])(C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,4|O<2>,6|H<1>}	C[6](C[3x6]C[5,4x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[3x6]C[5,4x6]C[4x6]C[6])	107.9670	0.000	1	107.9670	0.000	1	108.0425	0.011	2	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,4x6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,4x6]C[5,6,6]C[4x6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[3x6]C[5,4x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	H(C[3x6]C[5,4x6]C[4x6]C[6])	C[3x6](C[5,4x6]C[5,6,6]C[4x6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,3|O<2>,7|H<1>}	C[6](C[3x6]C[5,4x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[3x6]C[5,4x6]C[4x6]C[6])	108.1180	0.000	1	108.1180	0.000	1	108.0425	0.011	2	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6]N[5,6]H)(C[3x6]C[6]3)(C[6]C[6]HH)(H)	C[6](C[3x6]C[5,6,6]C[3x6]H)(C[6]C[6]HH)(H)2	H(C[3x6]C[5,6,6]C[3x6]C[6])	C[3x6](C[5,6,6]C[5,6]N[5,6]H)(C[3x6]C[6]3)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|C<4>,8|H<1>}	C[6](C[3x6]C[5,6,6]C[3x6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	H(C[3x6]C[5,6,6]C[3x6]C[6])	106.7295	0.252	2	106.7295	0.064	2	106.7295	0.064	2	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5a,6]C[6]C)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]N[6]HH)(H)2	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[6,6]C[5a,6]C[6]C)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|N<3>,6|H<1>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[3x6]C[3x6]C[6,6]C[6])	108.0370	0.000	1	108.0370	0.000	1	107.6828	1.260	6	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5a,6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]N[6]HH)(H)2	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[6,6]C[5a,6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|N<3>,6|H<1>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.3900	0.000	1	107.3900	0.000	1	107.6828	1.260	6	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5a,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]O[6]HH)(H)2	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[6,6]C[5a,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]O[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	106.6125	1.218	2	106.6125	1.484	2	107.6828	1.260	6	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5a,6]O[6]C)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]N[6]HH)(H)2	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[6,6]C[5a,6]O[6]C)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[3x6]C[3x6]C[6,6]C[6])	108.7225	0.391	2	108.7225	0.153	2	107.6828	1.260	6	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]HH)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,7|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	106.2480	0.000	1	106.2480	0.000	1	106.2480	0.000	1	107.1921	1.265	104	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[6]C[6]HO)(H)	C[6](C[6]C[5,5]C[6]H)(C[3x6]C[3x6]2H)(OH)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[6]C[6]HO)(H){1|O<2>,4|H<1>,5|C<4>}	C[6](C[6]C[5,5]C[6]H)(C[3x6]C[3x6]2H)(OH)(H){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	H(C[3x6]C[3x6]2C[6])	105.5290	0.000	1	105.5290	0.000	1	105.5290	0.000	1	106.3194	2.136	7	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[4x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HO)(H)	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6]CC)(OH)(H)	H(C[3x6]C[3x6]C[4x6]C[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HO)(H){2|O<1>,4|H<1>,7|C<4>}	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6]CC)(OH)(H){2|H<1>,3|C<3>,3|C<4>}	H(C[3x6]C[3x6]C[4x6]C[6])	107.8705	0.603	2	107.8705	0.364	2	107.8705	0.364	2	106.3194	2.136	7	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HO)(H)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OC)(H)	H(C[3x6]C[5,3x6]C[4x6]C[6])	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HO)(H){1|C<3>,1|O<1>,3|O<2>,4|C<4>,8|H<1>}	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OC)(H){1|H<1>,2|C<3>,5|C<4>}	H(C[3x6]C[5,3x6]C[4x6]C[6])	105.1010	0.000	1	105.0995	0.000	2	105.7415	1.893	4	106.3194	2.136	7	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HO)(H)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OC)(H)	H(C[3x6]C[5,3x6]C[4x6]C[6])	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HO)(H){2|C<3>,3|C<4>,4|O<2>,9|H<1>}	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|H<1>,6|C<4>}	H(C[3x6]C[5,3x6]C[4x6]C[6])	105.0980	0.000	1	105.0995	0.000	2	105.7415	1.893	4	106.3194	2.136	7	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HO)(H)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OH)(H)	H(C[3x6]C[5,3x6]C[4x6]C[6])	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HO)(H){1|C<3>,4|C<4>,4|O<2>,9|H<1>}	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	H(C[3x6]C[5,3x6]C[4x6]C[6])	106.3835	2.007	2	106.3835	4.030	2	105.7415	1.893	4	106.3194	2.136	7	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[4x6]-4:C[6]-4:C[3x6]-4:H-1:	C[6,6]-4:C[3x6]-4:C[6a]-3:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6]C[6,6]C[6a]H)(C[3x6]C[6,6]2H)(H)	C[6](C[6,6]C[6,6a]C[6,6]O)(C[3x6]C[3x6]C[4x6]H)(C[6a]C[6a]2)(H)	H(C[3x6]C[3x6]C[4x6]C[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[6]C[6,6]C[6a]H)(C[3x6]C[6,6]2H)(H){10|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]O)(C[3x6]C[3x6]C[4x6]H)(C[6a]C[6a]2)(H){3|H<1>,5|C<3>,6|C<4>}	H(C[3x6]C[3x6]C[4x6]C[6])	106.5040	0.000	1	106.5040	0.000	1	106.5040	0.000	1	106.7110	0.086	2	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6]C[6]CH)(H)	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]HO)(COO)(H)	H(C[3x6]C[5,3x6]C[5,6,6]C[6])	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6]C[6]CH)(H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]HO)(COO)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[3x6]C[5,3x6]C[5,6,6]C[6])	106.9180	0.000	1	106.9180	0.000	1	106.9180	0.000	1	106.7110	0.086	2	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]CH)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]CH)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	107.9280	0.000	1	107.9280	0.000	1	108.0810	0.047	2	108.0810	0.047	2	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2O[6])(C[6,6]C[3x6]HO)(C[6]C[6]CH)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]CH)(CCHH)(H)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]2O[6])(C[6,6]C[3x6]HO)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[3x6]C[4x6]C[6,6]C[6])	108.2340	0.000	1	108.2340	0.000	1	108.0810	0.047	2	108.0810	0.047	2	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CC)(H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CC)(H){1|O<2>,4|H<1>,5|C<4>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|C<4>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.3420	0.000	1	107.3420	0.000	1	107.3420	0.000	1	105.4302	0.675	25	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]O[5]H)(C[6]C[6]CC)(H)	C[6](C[3x6]C[5,6,6]C[4x6]H)(C[6]C[6]HH)(CH3)2	H(C[3x6]C[5,6,6]C[4x6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]O[5]H)(C[6]C[6]CC)(H){1|C<3>,3|C<4>,3|O<2>,6|H<1>}	C[6](C[3x6]C[5,6,6]C[4x6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	H(C[3x6]C[5,6,6]C[4x6]C[6])	104.8893	0.182	4	104.8893	0.033	4	104.8893	0.033	4	105.4302	0.675	25	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[5,6]-4:C-4:C-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5,6]CC)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[5,6]C[5,6]N[5]H)(CH3)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5,6]CC)(H){1|C<3>,1|O<1>,2|C<4>,2|N<3>,4|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[5,6]C[5,6]N[5]H)(CH3)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	106.3600	0.000	2	106.3600	0.000	2	106.3600	0.000	2	105.4302	0.675	25	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[3x6]-4:	C[3x6](C[4x6]C[3,6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[3,6,6]HH)(CH3)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3,6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){3|C<4>,4|O<2>,5|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[3,6,6]HH)(CH3)2{1|H<1>,2|O<2>,5|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	106.9270	0.000	1	106.9270	0.000	1	105.3838	0.552	17	105.4302	0.675	25	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[4x6]HO)(C[6]C[6]CC)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]HH)(CH3)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[4x6]HO)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,3|O<2>,5|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]HH)(CH3)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	104.1560	0.000	1	104.1560	0.000	1	105.3838	0.552	17	105.4302	0.675	25	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6]C[6]CC)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6]C[6]CC)(H){3|C<4>,3|O<2>,6|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	105.2400	0.000	1	105.2400	0.000	1	105.3838	0.552	17	105.4302	0.675	25	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]HH)(CH3)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]HH)(CH3)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	104.9620	0.000	1	104.9620	0.000	1	105.3838	0.552	17	105.4302	0.675	25	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	104.5320	0.000	1	105.2608	0.228	10	105.3838	0.552	17	105.4302	0.675	25	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	105.2720	0.000	1	105.2608	0.228	10	105.3838	0.552	17	105.4302	0.675	25	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){3|C<4>,3|O<2>,6|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	105.3505	0.457	8	105.2608	0.228	10	105.3838	0.552	17	105.4302	0.675	25	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[4x6]HO)(C[6]C[6]CC)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HO)(CH3)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[4x6]HO)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,3|O<2>,5|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	106.9640	0.000	1	106.9640	0.000	1	105.3838	0.552	17	105.4302	0.675	25	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6,6a]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6]C[6]CC)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6,6a]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	105.4600	0.000	1	105.3340	0.032	2	105.3838	0.552	17	105.4302	0.675	25	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6,6a]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6]C[6]CC)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6,6a]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	105.2080	0.000	1	105.3340	0.032	2	105.3838	0.552	17	105.4302	0.675	25	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[3x6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[3x6]-4:	C[3x6](C[5x6]C[4x6]2C[6])(C[6,6]C[4x6]HO)(C[6]C[6]CC)(H)	C[6](C[3x6]C[5x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	H(C[3x6]C[5x6]C[6,6]C[6])	C[3x6](C[5x6]C[4x6]2C[6])(C[6,6]C[4x6]HO)(C[6]C[6]CC)(H){3|C<4>,3|O<2>,6|H<1>}	C[6](C[3x6]C[5x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	H(C[3x6]C[5x6]C[6,6]C[6])	104.6100	0.000	1	104.6100	0.000	1	104.6100	0.000	1	105.4302	0.675	25	107.0887	1.679	219	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	3:4:4:1:	4:3:2:1:	4:	C[6,6,6a]-3:C[3x6]-4:C[3x6]-4:H-1:	C[4x6]-4:N[6,6]-3:O[6]-2:H-1:	C[4x6]-4:	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]C[6,6]C)(C[3x6]N[6,6]O[6]H)(H)	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(N[6,6]C[3x6]C)(O[6]C[6,6a])(H)	H(C[4x6]C[6,6,6a]C[3x6]2)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]C[6,6]C)(C[3x6]N[6,6]O[6]H)(H){2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(N[6,6]C[3x6]C)(O[6]C[6,6a])(H){1|H<1>,2|C<4>,4|C<3>}	H(C[4x6]C[6,6,6a]C[3x6]2)	110.6850	0.000	1	110.7095	0.001	2	110.7095	0.001	2	110.7095	0.001	2	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	3:4:4:1:	4:3:2:1:	4:	C[6,6,6a]-3:C[3x6]-4:C[3x6]-4:H-1:	C[4x6]-4:N[6,6]-3:O[6]-2:H-1:	C[4x6]-4:	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]C[6,6]C)(C[3x6]N[6,6]O[6]H)(H)	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(N[6,6]C[3x6]C)(O[6]C[6,6a])(H)	H(C[4x6]C[6,6,6a]C[3x6]2)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]C[6,6]C)(C[3x6]N[6,6]O[6]H)(H){2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(N[6,6]C[3x6]C)(O[6]C[6,6a])(H){3|C<4>,4|C<3>}	H(C[4x6]C[6,6,6a]C[3x6]2)	110.7340	0.000	1	110.7095	0.001	2	110.7095	0.001	2	110.7095	0.001	2	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	3:4:4:1:	4:3:4:4:	4:	C[6,6,6a]-3:C[3x6]-4:C[3x6]-4:H-1:	C[4x6]-4:C[6,6a]-3:C[6,6]-4:C-4:	C[4x6]-4:	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]C[6,6]C)(C[3x6]N[6,6]O[6]H)(H)	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(CH3)	H(C[4x6]C[6,6,6a]C[3x6]2)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]C[6,6]C)(C[3x6]N[6,6]O[6]H)(H){2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|O<2>,3|C<3>}	H(C[4x6]C[6,6,6a]C[3x6]2)	110.7220	0.000	1	110.6895	0.002	2	110.6895	0.002	2	109.6017	3.551	3	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	3:4:4:1:	4:3:4:4:	4:	C[6,6,6a]-3:C[3x6]-4:C[3x6]-4:H-1:	C[4x6]-4:C[6,6a]-3:C[6,6]-4:C-4:	C[4x6]-4:	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]C[6,6]C)(C[3x6]N[6,6]O[6]H)(H)	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(CH3)	H(C[4x6]C[6,6,6a]C[3x6]2)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]C[6,6]C)(C[3x6]N[6,6]O[6]H)(H){2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(CH3){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	H(C[4x6]C[6,6,6a]C[3x6]2)	110.6570	0.000	1	110.6895	0.002	2	110.6895	0.002	2	109.6017	3.551	3	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	3:4:4:1:	4:3:4:4:	4:	C[6,6,6a]-3:C[3x6]-4:C[3x6]-4:H-1:	C[4x6]-4:N[6,6]-3:C[6]-4:C-4:	C[4x6]-4:	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]C[6]C)(C[3x6]N[6,6]C[6]C)(H)	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(N[6,6]C[3x6]C)(C[6]C[6]HH)(CH3)	H(C[4x6]C[6,6,6a]C[3x6]2)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]C[6]C)(C[3x6]N[6,6]C[6]C)(H){1|C<4>,4|C<3>,7|H<1>}	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(N[6,6]C[3x6]C)(C[6]C[6]HH)(CH3){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[4x6]C[6,6,6a]C[3x6]2)	107.4260	0.000	1	107.4260	0.000	1	107.4260	0.000	1	109.6017	3.551	3	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	3:4:4:1:	4:4:4:1:	4:	C[5a,6,6]-3:C[4x6]-4:C[3x6]-4:H-1:	C[4x6]-4:C[4x6]-4:C-4:H-1:	C[4x6]-4:	C[4x6](C[5a,6,6]C[5a,6,6]N[5a])(C[4x6]C[3x6]C[6,6]C)(C[3x6]C[4x6]CH)(H)	C[3x6](C[4x6]C[5a,6,6]C[4x6]H)(C[4x6]C[4x6]C[6,6]H)(CH3)(H)	H(C[4x6]C[5a,6,6]C[3x6]C[4x6])	C[4x6](C[5a,6,6]C[5a,6,6]N[5a])(C[4x6]C[3x6]C[6,6]C)(C[3x6]C[4x6]CH)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[4x6]C[5a,6,6]C[4x6]H)(C[4x6]C[4x6]C[6,6]H)(CH3)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>}	H(C[4x6]C[5a,6,6]C[3x6]C[4x6])	112.7680	0.000	1	112.7680	0.000	1	112.7680	0.000	1	112.7680	0.000	1	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	3:4:4:1:	4:4:4:4:	4:	C[6,6,6a]-3:C[3x6]-4:C[3x6]-4:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:C-4:	C[4x6]-4:	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]C[6]C)(C[3x6]N[6,6]C[6]C)(H)	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(CH3)	H(C[4x6]C[6,6,6a]C[3x6]2)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]C[6]C)(C[3x6]N[6,6]C[6]C)(H){1|C<4>,4|C<3>,7|H<1>}	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(C[4x6]C[6,6,6a]C[3x6]2)	109.4820	0.000	1	109.4820	0.000	1	109.4820	0.000	1	109.4820	0.000	1	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:3:4:1:	4:2:2:1:	4:	C[5,4x6]-4:C[6,6,6a]-3:C[3x6]-4:H-1:	C[4x6]-4:O[6,6]-2:O[6]-2:H-1:	C[4x6]-4:	C[4x6](C[5,4x6]C[5,3x6]O[5,6]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]O[6,6]O[6]H)(H)	C[3x6](C[4x6]C[6,6,6a]C[5,4x6]H)(O[6,6]C[3x6])(O[6]C[5,6])(H)	H(C[4x6]C[6,6,6a]C[5,4x6]C[3x6])	C[4x6](C[5,4x6]C[5,3x6]O[5,6]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]O[6,6]O[6]H)(H){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[3x6](C[4x6]C[6,6,6a]C[5,4x6]H)(O[6,6]C[3x6])(O[6]C[5,6])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[4x6]C[6,6,6a]C[5,4x6]C[3x6])	111.4595	0.139	2	111.3300	0.030	4	111.3300	0.030	4	111.3300	0.030	4	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:3:4:1:	4:2:2:1:	4:	C[5,4x6]-4:C[6,6,6a]-3:C[3x6]-4:H-1:	C[4x6]-4:O[6,6]-2:O[6]-2:H-1:	C[4x6]-4:	C[4x6](C[5,4x6]C[5,3x6]O[5,6]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]O[6,6]O[6]H)(H)	C[3x6](C[4x6]C[6,6,6a]C[5,4x6]H)(O[6,6]C[3x6])(O[6]C[5,6])(H)	H(C[4x6]C[6,6,6a]C[5,4x6]C[3x6])	C[4x6](C[5,4x6]C[5,3x6]O[5,6]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]O[6,6]O[6]H)(H){2|C<3>,3|H<1>,5|C<4>}	C[3x6](C[4x6]C[6,6,6a]C[5,4x6]H)(O[6,6]C[3x6])(O[6]C[5,6])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[4x6]C[6,6,6a]C[5,4x6]C[3x6])	111.2005	0.056	2	111.3300	0.030	4	111.3300	0.030	4	111.3300	0.030	4	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:3:4:1:	4:4:4:3:	4:	C[3x6]-4:N[3x6]-3:C[6,6]-4:H-1:	C[4x6]-4:C[5,6]-4:C[6,6]-4:C-3:	C[4x6]-4:	C[4x6](C[3x6]C[5,6]C[6,6]C)(N[3x6]C[6,6]C[6])(C[6,6]C[6,6]CH)(H)	C[3x6](C[4x6]C[6,6]N[3x6]H)(C[5,6]C[5]C[6]N[5])(C[6,6]C[3x6]HH)(COO)	H(C[4x6]C[3x6]C[6,6]N[3x6])	C[4x6](C[3x6]C[5,6]C[6,6]C)(N[3x6]C[6,6]C[6])(C[6,6]C[6,6]CH)(H){1|C<3>,1|N<3>,2|C<4>,8|H<1>}	C[3x6](C[4x6]C[6,6]N[3x6]H)(C[5,6]C[5]C[6]N[5])(C[6,6]C[3x6]HH)(COO){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	H(C[4x6]C[3x6]C[6,6]N[3x6])	109.1890	0.000	1	109.1890	0.000	1	109.1890	0.000	1	109.1890	0.000	1	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[4x6]-4:O[6]-2:H-1:	C[4x6]-4:	C[4x6](C[3x6]C[3x6]O[6]H)2(O[6,6]C[3x6])(H)	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]C[6])(H)	H(C[4x6]C[3x6]2O[6,6])	C[4x6](C[3x6]C[3x6]O[6]H)2(O[6,6]C[3x6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]C[6])(H){2|H<1>,3|C<4>,3|O<2>}	H(C[4x6]C[3x6]2O[6,6])	109.9925	0.037	2	110.0593	0.014	7	110.1939	0.042	12	110.1939	0.042	12	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[4x6]-4:O[6]-2:H-1:	C[4x6]-4:	C[4x6](C[3x6]C[3x6]O[6]H)2(O[6,6]C[3x6])(H)	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]C[6])(H)	H(C[4x6]C[3x6]2O[6,6])	C[4x6](C[3x6]C[3x6]O[6]H)2(O[6,6]C[3x6])(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]C[6])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[4x6]C[3x6]2O[6,6])	110.1760	0.057	3	110.0593	0.014	7	110.1939	0.042	12	110.1939	0.042	12	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[4x6]-4:O[6]-2:H-1:	C[4x6]-4:	C[4x6](C[3x6]C[3x6]O[6]H)2(O[6,6]C[3x6])(H)	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]C[6])(H)	H(C[4x6]C[3x6]2O[6,6])	C[4x6](C[3x6]C[3x6]O[6]H)2(O[6,6]C[3x6])(H){2|C<4>,2|O<2>,3|H<1>}	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]C[6])(H){2|O<2>,3|C<4>,3|H<1>}	H(C[4x6]C[3x6]2O[6,6])	109.9510	0.041	2	110.0593	0.014	7	110.1939	0.042	12	110.1939	0.042	12	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[4x6]-4:O[6]-2:H-1:	C[4x6]-4:	C[4x6](C[3x6]C[3x6]O[6]H)2(O[6,6]C[3x6])(H)	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]S[6])(H)	H(C[4x6]C[3x6]2O[6,6])	C[4x6](C[3x6]C[3x6]O[6]H)2(O[6,6]C[3x6])(H){1|C<3>,1|C<4>,1|S<3>,2|H<1>,2|O<2>}	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]S[6])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[4x6]C[3x6]2O[6,6])	110.4130	0.000	1	110.3824	0.017	5	110.1939	0.042	12	110.1939	0.042	12	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[4x6]-4:O[6]-2:H-1:	C[4x6]-4:	C[4x6](C[3x6]C[3x6]O[6]H)2(O[6,6]C[3x6])(H)	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]S[6])(H)	H(C[4x6]C[3x6]2O[6,6])	C[4x6](C[3x6]C[3x6]O[6]H)2(O[6,6]C[3x6])(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>,2|O<2>}	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]S[6])(H){2|C<4>,2|H<1>,2|O<1>,2|O<2>}	H(C[4x6]C[3x6]2O[6,6])	110.2460	0.031	2	110.3824	0.017	5	110.1939	0.042	12	110.1939	0.042	12	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[4x6]-4:O[6]-2:H-1:	C[4x6]-4:	C[4x6](C[3x6]C[3x6]O[6]H)2(O[6,6]C[3x6])(H)	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]S[6])(H)	H(C[4x6]C[3x6]2O[6,6])	C[4x6](C[3x6]C[3x6]O[6]H)2(O[6,6]C[3x6])(H){1|C<4>,1|S<3>,2|O<2>,3|H<1>}	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]S[6])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[4x6]C[3x6]2O[6,6])	110.5035	0.035	2	110.3824	0.017	5	110.1939	0.042	12	110.1939	0.042	12	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:2:1:	4:4:3:3:	4:	C[3x6]-4:C[4x6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[4x6]-4:C[6,6]-3:C-3:	C[4x6]-4:	C[4x6](C[3x6]C[3x6]C[6,6]C)(C[4x6]C[3x6]2H)(O[6,6]C[6,6])(H)	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[4x6]C[4x6]O[6,6]H)(C[6,6]C[6,6]C[6])(CCH)	H(C[4x6]C[3x6]C[4x6]O[6,6])	C[4x6](C[3x6]C[3x6]C[6,6]C)(C[4x6]C[3x6]2H)(O[6,6]C[6,6])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[4x6]C[4x6]O[6,6]H)(C[6,6]C[6,6]C[6])(CCH){3|C<3>,3|C<4>,3|H<1>}	H(C[4x6]C[3x6]C[4x6]O[6,6])	108.2340	0.000	1	108.2340	0.000	1	108.2340	0.000	1	108.2340	0.000	1	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:O[6,6]-2:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[4x6]-4:	C[4x6](C[3x6]C[6,6]C[6]H)2(O[6,6]C[6,6])(H)	C[3x6](C[4x6]C[3x6]O[6,6]H)(C[6,6]N[3x6]C[6a]H)(C[6]C[6a]N[6]H)(H)	H(C[4x6]C[3x6]2O[6,6])	C[4x6](C[3x6]C[6,6]C[6]H)2(O[6,6]C[6,6])(H){2|N<3>,4|C<3>,6|H<1>}	C[3x6](C[4x6]C[3x6]O[6,6]H)(C[6,6]N[3x6]C[6a]H)(C[6]C[6a]N[6]H)(H){2|H<1>,3|C<4>,4|C<3>}	H(C[4x6]C[3x6]2O[6,6])	108.8355	0.039	2	108.8355	0.002	2	108.8355	0.002	2	108.8355	0.002	2	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:3:1:	4:3:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:C[6]-4:H-1:	C[4x6]-4:	C[4x6](C[3x6]C[6,6]C[6]H)2(C[6,6]C[6,6]O)(H)	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[6]C[6]HH)(H)	H(C[4x6]C[3x6]2C[6,6])	C[4x6](C[3x6]C[6,6]C[6]H)2(C[6,6]C[6,6]O)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[4x6]C[3x6]2C[6,6])	110.4350	0.000	1	110.4350	0.000	1	110.4350	0.000	1	111.2488	0.310	4	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:3:1:	4:3:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6a]-3:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[3x6]C[6,6a]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6a])(H)	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(H)	H(C[4x6]C[3x6]2C[6,6])	C[4x6](C[3x6]C[6,6a]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6a])(H){1|C<4>,4|C<3>,6|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(H){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[4x6]C[3x6]2C[6,6])	111.5960	0.109	2	111.5200	0.023	3	111.5200	0.023	3	111.2488	0.310	4	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:3:1:	4:3:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6a]-3:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[3x6]C[6,6a]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6a])(H)	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(H)	H(C[4x6]C[3x6]2C[6,6])	C[4x6](C[3x6]C[6,6a]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6a])(H){2|C<4>,4|C<3>,5|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(H){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[4x6]C[3x6]2C[6,6])	111.3680	0.000	1	111.5200	0.023	3	111.5200	0.023	3	111.2488	0.310	4	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4,3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[3x6]C[4,3x6]HH)2(C[6,6]C[6,6]F)(H)	C[3x6](C[4,3x6]C[4,3x6]C[4,6]F)(C[4x6]C[3x6]C[6,6]H)(H)2	H(C[4x6]C[3x6]2C[6,6])	C[4x6](C[3x6]C[4,3x6]HH)2(C[6,6]C[6,6]F)(H){2|C<4>,3|F<1>}	C[3x6](C[4,3x6]C[4,3x6]C[4,6]F)(C[4x6]C[3x6]C[6,6]H)(H)2{1|C<3>,1|C<4>,2|F<1>,2|H<1>,2|O<2>}	H(C[4x6]C[3x6]2C[6,6])	111.8880	1.741	2	111.8880	3.031	2	111.8880	3.031	2	111.6008	1.198	4	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:3:1:	4:4:1:1:	4:	C[4x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]H)(H)	C[3x6](C[4x6]C[4x6]C[6,6]H)2(H)2	H(C[4x6]C[3x6]C[4x6]C[6,6])	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,2|C<4>,5|H<1>}	C[3x6](C[4x6]C[4x6]C[6,6]H)2(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[4x6]C[3x6]C[4x6]C[6,6])	110.9720	0.000	1	111.3135	0.233	2	111.3135	0.233	2	111.6008	1.198	4	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:3:1:	4:4:1:1:	4:	C[4x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]H)(H)	C[3x6](C[4x6]C[4x6]C[6,6]H)2(H)2	H(C[4x6]C[3x6]C[4x6]C[6,6])	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]H)(H){1|O<2>,3|C<4>,4|H<1>}	C[3x6](C[4x6]C[4x6]C[6,6]H)2(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[4x6]C[3x6]C[4x6]C[6,6])	111.6550	0.000	1	111.3135	0.233	2	111.3135	0.233	2	111.6008	1.198	4	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:3:1:	4:4:2:1:	4:	C[4x6]-4:C[3x6]-4:C[3x6]-3:H-1:	C[4x6]-4:C[6]-4:O[6,6]-2:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]O[6,6]H)(C[3x6]O[6,6]C[6]H)(C[3x6]C[3x6]C[6])(H)	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6]C[6,6]HH)(O[6,6]C[3x6])(H)	H(C[4x6]C[3x6]2C[4x6])	C[4x6](C[4x6]C[3x6]O[6,6]H)(C[3x6]O[6,6]C[6]H)(C[3x6]C[3x6]C[6])(H){3|C<3>,3|C<4>,4|H<1>}	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6]C[6,6]HH)(O[6,6]C[3x6])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[4x6]C[3x6]2C[4x6])	111.1890	0.000	1	111.1890	0.000	1	111.1890	0.000	1	111.1890	0.000	1	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-4:C[6]-3:H-1:	C[4x6]-4:	C[4x6](C[3x6]C[6,6]C[6]H)2(C[6,6]C[6,6]O)(H)	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CH)(C[6]C[6a]C[6])(H)	H(C[4x6]C[3x6]2C[6,6])	C[4x6](C[3x6]C[6,6]C[6]H)2(C[6,6]C[6,6]O)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CH)(C[6]C[6a]C[6])(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[4x6]C[3x6]2C[6,6])	110.4360	0.000	1	110.4360	0.000	1	110.4360	0.000	1	111.8215	3.839	2	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[4x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[4x6]-4:C-3:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CH)(C[6,6]C[6,6]H)(H)	C[3x6](C[4x6]C[4x6]C[6,6]H)2(CHN)(H)	H(C[4x6]C[3x6]C[4x6]C[6,6])	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CH)(C[6,6]C[6,6]H)(H){2|C<4>,6|H<1>}	C[3x6](C[4x6]C[4x6]C[6,6]H)2(CHN)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[4x6]C[3x6]C[4x6]C[6,6])	113.2070	0.000	1	113.2070	0.000	1	113.2070	0.000	1	111.8215	3.839	2	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[4x6]-4:	C[4x6](C[3x6]C[6,6]C[6]H)2(C[6,6]C[6,6]H)(H)	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]N[6]HH)(H)	H(C[4x6]C[3x6]2C[6,6])	C[4x6](C[3x6]C[6,6]C[6]H)2(C[6,6]C[6,6]H)(H){1|C<4>,2|N<3>,8|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]N[6]HH)(H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[4x6]C[3x6]2C[6,6])	110.6570	0.006	2	110.6570	0.000	2	111.1722	0.230	5	111.1420	0.190	6	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[4x6]-4:	C[4x6](C[3x6]C[6,6a]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6a])(H)	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6,6a]CH)(H)	H(C[4x6]C[3x6]2C[6,6])	C[4x6](C[3x6]C[6,6a]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6a])(H){2|C<4>,4|C<3>,5|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6,6a]CH)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	H(C[4x6]C[3x6]2C[6,6])	111.3620	0.000	1	111.3620	0.000	1	111.1722	0.230	5	111.1420	0.190	6	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[4x6]-4:	C[4x6](C[3x6]C[6,6a]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6a])(H)	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6,6a]HH)(H)	H(C[4x6]C[3x6]2C[6,6])	C[4x6](C[3x6]C[6,6a]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6a])(H){1|C<4>,4|C<3>,6|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	H(C[4x6]C[3x6]2C[6,6])	111.5925	0.028	2	111.5925	0.001	2	111.1722	0.230	5	111.1420	0.190	6	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[4x6]-4:C-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[5a,6,6]C[3x6]C)(C[3x6]C[4x6]CH)(C[6,6]C[6,6]O)(H)	C[3x6](C[4x6]C[5a,6,6]C[4x6]H)(C[4x6]C[4x6]C[6,6]H)(CH3)(H)	H(C[4x6]C[3x6]C[4x6]C[6,6])	C[4x6](C[4x6]C[5a,6,6]C[3x6]C)(C[3x6]C[4x6]CH)(C[6,6]C[6,6]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[3x6](C[4x6]C[5a,6,6]C[4x6]H)(C[4x6]C[4x6]C[6,6]H)(CH3)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>}	H(C[4x6]C[3x6]C[4x6]C[6,6])	110.9910	0.000	1	110.9910	0.000	1	110.9910	0.000	1	111.1420	0.190	6	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:3:1:	4:4:4:2:	4:	C[4x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[4x6]-4:C-4:O-2:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CO)(C[6,6]C[6,6]H)(H)	C[3x6](C[4x6]C[4x6]C[6,6]H)2(CHOP)(OH)	H(C[4x6]C[3x6]C[4x6]C[6,6])	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CO)(C[6,6]C[6,6]H)(H){2|C<4>,6|H<1>}	C[3x6](C[4x6]C[4x6]C[6,6]H)2(CHOP)(OH){1|C<3>,2|C<4>,5|H<1>}	H(C[4x6]C[3x6]C[4x6]C[6,6])	111.4900	0.000	1	111.4900	0.000	1	111.4900	0.000	1	111.4900	0.000	1	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:4:1:	3:4:4:1:	4:	C[3x6]-4:C[6x6]-4:C[6,6]-4:H-1:	N[5,6,6]-3:C[4x6]-4:C[3x6]-4:H-1:	C[4x6]-4:	C[4x6](C[3x6]N[5,6,6]C[3x6]H)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[3x6](N[5,6,6]C[5,3x6]C[5])(C[4x6]C[6,6]C[6x6]H)(C[3x6]C[4x6]C[6]H)(H)	H(C[4x6]C[3x6]C[6,6]C[6x6])	C[4x6](C[3x6]N[5,6,6]C[3x6]H)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	C[3x6](N[5,6,6]C[5,3x6]C[5])(C[4x6]C[6,6]C[6x6]H)(C[3x6]C[4x6]C[6]H)(H){1|O<2>,7|C<4>,7|H<1>}	H(C[4x6]C[3x6]C[6,6]C[6x6])	105.4480	0.000	1	105.4480	0.000	1	105.4480	0.000	1	105.4480	0.000	1	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:N[3x6]-3:C[6]-4:H-1:	C[4x6]-4:	C[4x6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]N[3x6]C[6]H)(C[6,6]C[3x6]HH)(H)	C[3x6](C[4x6]C[5,3x6]C[6,6]H)(N[3x6]C[3x6]C[6,6])(C[6]C[6]HH)(H)	H(C[4x6]C[5,3x6]C[3x6]C[6,6])	C[4x6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]N[3x6]C[6]H)(C[6,6]C[3x6]HH)(H){5|H<1>,6|C<4>}	C[3x6](C[4x6]C[5,3x6]C[6,6]H)(N[3x6]C[3x6]C[6,6])(C[6]C[6]HH)(H){1|O<2>,4|C<4>,7|H<1>}	H(C[4x6]C[5,3x6]C[3x6]C[6,6])	109.7880	0.000	1	109.7880	0.000	1	109.7880	0.000	1	108.8425	1.788	2	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,4x6]-4:C[3x6]-4:C[3x6]-4:H-1:	C[4x6]-4:C[6,6]-3:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[5,4x6]C[5,3x6]2H)(C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2H)(H)	C[3x6](C[4x6]C[5,4x6]C[3x6]H)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]HH)(H)	H(C[4x6]C[5,4x6]C[3x6]2)	C[4x6](C[5,4x6]C[5,3x6]2H)(C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2H)(H){2|Cl<1>,1|O<1>,4|C<4>,6|H<1>}	C[3x6](C[4x6]C[5,4x6]C[3x6]H)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]HH)(H){1|Cl<1>,4|H<1>,5|C<4>}	H(C[4x6]C[5,4x6]C[3x6]2)	107.8970	0.000	1	107.8970	0.000	1	107.8970	0.000	1	108.8425	1.788	2	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4,3x6]C[4,3x6]C[4,6]C)(C[3x6]C[4x6]HH)(C[6,6]C[3x6]HH)(H)	C[3x6](C[4x6]C[4,3x6]C[6,6]H)2(H)2	H(C[4x6]C[4,3x6]C[3x6]C[6,6])	C[4x6](C[4,3x6]C[4,3x6]C[4,6]C)(C[3x6]C[4x6]HH)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[4x6]C[4,3x6]C[6,6]H)2(H)2{4|C<4>,5|H<1>}	H(C[4x6]C[4,3x6]C[3x6]C[6,6])	109.6093	0.162	3	109.6093	0.026	3	109.6530	0.082	6	110.4439	1.037	12	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4,3x6]C[4,3x6]C[4,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[3x6]HH)(H)	C[3x6](C[4x6]C[4,3x6]C[6,6]H)2(H)2	H(C[4x6]C[4,3x6]C[3x6]C[6,6])	C[4x6](C[4,3x6]C[4,3x6]C[4,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[4x6]C[4,3x6]C[6,6]H)2(H)2{4|C<4>,5|H<1>}	H(C[4x6]C[4,3x6]C[3x6]C[6,6])	109.6967	0.415	3	109.6967	0.172	3	109.6530	0.082	6	110.4439	1.037	12	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]HH)(H)	C[3x6](C[4x6]C[4x6]C[6,6]H)2(H)2	H(C[4x6]C[3x6]C[4x6]C[6,6])	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[3x6](C[4x6]C[4x6]C[6,6]H)2(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[4x6]C[3x6]C[4x6]C[6,6])	110.6900	0.000	1	111.3575	0.963	4	111.3575	0.963	4	110.4439	1.037	12	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]HH)(H)	C[3x6](C[4x6]C[4x6]C[6,6]H)2(H)2	H(C[4x6]C[3x6]C[4x6]C[6,6])	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[3x6](C[4x6]C[4x6]C[6,6]H)2(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[4x6]C[3x6]C[4x6]C[6,6])	112.8170	0.000	1	111.3575	0.963	4	111.3575	0.963	4	110.4439	1.037	12	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]HH)(H)	C[3x6](C[4x6]C[4x6]C[6,6]H)2(H)2	H(C[4x6]C[3x6]C[4x6]C[6,6])	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[3x6](C[4x6]C[4x6]C[6,6]H)2(H)2{1|C<3>,2|C<4>,6|H<1>}	H(C[4x6]C[3x6]C[4x6]C[6,6])	110.9615	0.016	2	111.3575	0.963	4	111.3575	0.963	4	110.4439	1.037	12	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:4:1:	4:4:1:1:	4:	C[6x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[5x6]-4:Br-1:H-1:	C[4x6]-4:	C[4x6](C[6x6]C[5x6]C[6x6]H)(C[3x6]C[5x6]BrH)(C[6,6]C[6,6]HH)(H)	C[3x6](C[4x6]C[6,6]C[6x6]H)(C[5x6]C[5x6]2H)(Br)(H)	H(C[4x6]C[3x6]C[6,6]C[6x6])	C[4x6](C[6x6]C[5x6]C[6x6]H)(C[3x6]C[5x6]BrH)(C[6,6]C[6,6]HH)(H){4|C<4>,5|H<1>}	C[3x6](C[4x6]C[6,6]C[6x6]H)(C[5x6]C[5x6]2H)(Br)(H){4|C<4>,5|H<1>}	H(C[4x6]C[3x6]C[6,6]C[6x6])	110.9895	0.648	2	110.9895	0.420	2	110.9895	0.420	2	110.4439	1.037	12	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:4:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[6,6]-4:O[6]-2:H-1:	C[4x6]-4:	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]C[6,6]O[6]H)(C[6,6]C[6,6]HH)(H)	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HI)(O[6]C[6])(H)	H(C[4x6]C[3x6]2C[6,6])	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]C[6,6]O[6]H)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,1|I<1>,7|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HI)(O[6]C[6])(H){1|O<1>,3|C<4>,4|H<1>}	H(C[4x6]C[3x6]2C[6,6])	110.1640	0.000	1	110.1640	0.000	1	110.1640	0.000	1	110.1640	0.000	1	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[4x6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-3:Cl-1:	C[4x6]-4:	C[4x6](C[3x6]C[4x6]C[6,6]Cl)(C[3x6]C[6,6]2H)(C[4x6]C[3x6]2H)(H)	C[3x6](C[4x6]C[3x6]C[4x6]H)2(C[6,6]C[6,6]Cl)(Cl)	H(C[4x6]C[3x6]2C[4x6])	C[4x6](C[3x6]C[4x6]C[6,6]Cl)(C[3x6]C[6,6]2H)(C[4x6]C[3x6]2H)(H){2|Cl<1>,2|C<3>,3|C<4>,5|H<1>}	C[3x6](C[4x6]C[3x6]C[4x6]H)2(C[6,6]C[6,6]Cl)(Cl){1|Cl<1>,2|C<3>,4|H<1>,5|C<4>}	H(C[4x6]C[3x6]2C[4x6])	107.1215	0.137	4	107.1215	0.019	4	107.1215	0.019	4	107.3443	1.192	16	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[4x6]-4:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-3:Cl-1:	C[4x6]-4:	C[4x6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2Cl)(C[4x6]C[3x6]2H)(H)	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(Cl)	H(C[4x6]C[3x6]2C[4x6])	C[4x6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2Cl)(C[4x6]C[3x6]2H)(H){2|Cl<1>,1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(Cl){1|Cl<1>,4|C<4>,4|H<1>}	H(C[4x6]C[3x6]2C[4x6])	106.9765	0.032	2	106.9765	0.001	2	106.9472	0.102	6	107.3443	1.192	16	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[4x6]-4:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-3:Cl-1:	C[4x6]-4:	C[4x6](C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2H)(C[4x6]C[3x6]2H)(H)	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(Cl)	H(C[4x6]C[3x6]2C[4x6])	C[4x6](C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2H)(C[4x6]C[3x6]2H)(H){1|Br<1>,2|Cl<1>,1|C<3>,3|C<4>,6|H<1>}	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(Cl){1|Cl<1>,4|C<4>,4|H<1>}	H(C[4x6]C[3x6]2C[4x6])	106.6030	0.233	2	106.9325	0.168	4	106.9472	0.102	6	107.3443	1.192	16	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[4x6]-4:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-3:Cl-1:	C[4x6]-4:	C[4x6](C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2H)(C[4x6]C[3x6]2H)(H)	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(Cl)	H(C[4x6]C[3x6]2C[4x6])	C[4x6](C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2H)(C[4x6]C[3x6]2H)(H){2|Cl<1>,2|C<3>,2|C<4>,6|H<1>}	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(Cl){1|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	H(C[4x6]C[3x6]2C[4x6])	107.2620	0.127	2	106.9325	0.168	4	106.9472	0.102	6	107.3443	1.192	16	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[4x6]-4:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4x6]-4:	C[4x6](C[3x6]C[4x6]C[6,6]Cl)(C[3x6]C[6,6]2H)(C[4x6]C[3x6]2H)(H)	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[4x6]C[3x6]2C[4x6])	C[4x6](C[3x6]C[4x6]C[6,6]Cl)(C[3x6]C[6,6]2H)(C[4x6]C[3x6]2H)(H){2|Cl<1>,2|C<3>,3|C<4>,5|H<1>}	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	H(C[4x6]C[3x6]2C[4x6])	107.1470	0.179	3	107.1470	0.032	3	107.1998	0.024	5	107.3443	1.192	16	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[4x6]-4:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4x6]-4:	C[4x6](C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2H)(C[4x6]C[3x6]2H)(H)	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[4x6]C[3x6]2C[4x6])	C[4x6](C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2H)(C[4x6]C[3x6]2H)(H){2|Cl<1>,2|C<3>,2|C<4>,6|H<1>}	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	H(C[4x6]C[3x6]2C[4x6])	107.2790	0.112	2	107.2790	0.012	2	107.1998	0.024	5	107.3443	1.192	16	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[4x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C-3:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CH)(C[6,6]C[6,6]HH)(H)	C[3x6](C[4x6]C[4x6]C[6,6]H)2(CHN)(H)	H(C[4x6]C[3x6]C[4x6]C[6,6])	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[3x6](C[4x6]C[4x6]C[6,6]H)2(CHN)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[4x6]C[3x6]C[4x6]C[6,6])	111.3400	0.000	1	111.3400	0.000	1	111.3400	0.000	1	107.3443	1.192	16	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:4:1:	4:4:3:4:	4:	C[4x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:C[6]-3:C-4:	C[4x6]-4:	C[4x6](C[4x6]C[5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]HH)(H)	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[4x6]C[6,6]H)(C[6]N[6]H)(CCHH)	H(C[4x6]C[3x6]C[4x6]C[6,6])	C[4x6](C[4x6]C[5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[4x6]C[6,6]H)(C[6]N[6]H)(CCHH){1|C<3>,2|C<4>,5|H<1>}	H(C[4x6]C[3x6]C[4x6]C[6,6])	108.7180	0.000	1	108.7180	0.000	1	108.7180	0.000	1	108.7180	0.000	1	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[4x6]-4:H-1:	C[3,6,6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2Cl)(C[4x6]C[3x6]2H)(H)	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(H)	H(C[4x6]C[3x6]2C[4x6])	C[4x6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2Cl)(C[4x6]C[3x6]2H)(H){2|Cl<1>,1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(H){1|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	H(C[4x6]C[3x6]2C[4x6])	106.9835	0.028	2	106.9835	0.001	2	106.9835	0.001	2	107.4662	2.336	5	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[4x6]-4:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2H)(C[4x6]C[3x6]2H)(H)	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H)	H(C[4x6]C[3x6]2C[4x6])	C[4x6](C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2H)(C[4x6]C[3x6]2H)(H){1|Br<1>,2|Cl<1>,1|C<3>,3|C<4>,6|H<1>}	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H){1|Br<1>,1|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	H(C[4x6]C[3x6]2C[4x6])	106.5950	0.158	2	106.5950	0.025	2	106.5950	0.025	2	107.4662	2.336	5	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[4x6]-4:	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]C[6,6]O[6]H)(C[6,6]C[6,6]HH)(H)	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	H(C[4x6]C[3x6]2C[6,6])	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]C[6,6]O[6]H)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,1|I<1>,7|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[4x6]C[3x6]2C[6,6])	110.1740	0.000	1	110.1740	0.000	1	110.1740	0.000	1	107.4662	2.336	5	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:4:1:	4:4:4:2:	4:	C[3x6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[5,4x6]-4:C[4x6]-4:C[6]-4:O-2:	C[4x6]-4:	C[4x6](C[3x6]C[5,4x6]C[6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH)	H(C[4x6]C[3x6]C[6,6]C[6x6])	C[4x6](C[3x6]C[5,4x6]C[6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|C<3>,5|C<4>,8|H<1>}	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,5|C<4>,8|H<1>}	H(C[4x6]C[3x6]C[6,6]C[6x6])	107.1780	0.000	1	106.7988	0.311	5	106.7988	0.311	5	107.4945	2.033	8	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:4:1:	4:4:4:2:	4:	C[3x6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[5,4x6]-4:C[4x6]-4:C[6]-4:O-2:	C[4x6]-4:	C[4x6](C[3x6]C[5,4x6]C[6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH)	H(C[4x6]C[3x6]C[6,6]C[6x6])	C[4x6](C[3x6]C[5,4x6]C[6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|O<1>,6|C<4>,6|H<1>}	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH){1|C<3>,1|N<3>,6|C<4>,7|H<1>}	H(C[4x6]C[3x6]C[6,6]C[6x6])	106.9250	0.000	1	106.7988	0.311	5	106.7988	0.311	5	107.4945	2.033	8	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:4:1:	4:4:4:2:	4:	C[3x6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[5,4x6]-4:C[4x6]-4:C[6]-4:O-2:	C[4x6]-4:	C[4x6](C[3x6]C[5,4x6]C[6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH)	H(C[4x6]C[3x6]C[6,6]C[6x6])	C[4x6](C[3x6]C[5,4x6]C[6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|O<2>,2|C<3>,4|C<4>,7|H<1>}	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH){1|N<2>,6|H<1>,7|C<4>}	H(C[4x6]C[3x6]C[6,6]C[6x6])	106.6303	0.706	3	106.7988	0.311	5	106.7988	0.311	5	107.4945	2.033	8	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:4:1:	4:4:4:2:	4:	C[4x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C-4:O-2:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CO)(C[6,6]C[6,6]HH)(H)	C[3x6](C[4x6]C[4x6]C[6,6]H)2(CHOP)(OH)	H(C[4x6]C[3x6]C[4x6]C[6,6])	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CO)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[3x6](C[4x6]C[4x6]C[6,6]H)2(CHOP)(OH){1|C<3>,2|C<4>,5|H<1>}	H(C[4x6]C[3x6]C[4x6]C[6,6])	110.7260	0.000	1	110.7260	0.000	1	110.7260	0.000	1	107.4945	2.033	8	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:4:1:	4:4:4:2:	4:	C[6x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6]-4:O-2:	C[4x6]-4:	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[3x6]C[4x6]C[6]O)(C[6,6]C[3x6]HH)(H)	C[3x6](C[4x6]C[6,6]C[6x6]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]HH)(OH)	H(C[4x6]C[3x6]C[6,6]C[6x6])	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[3x6]C[4x6]C[6]O)(C[6,6]C[3x6]HH)(H){1|O<1>,6|C<4>,6|H<1>}	C[3x6](C[4x6]C[6,6]C[6x6]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]HH)(OH){1|C<2>,1|C<3>,1|O<2>,4|C<4>,8|H<1>}	H(C[4x6]C[3x6]C[6,6]C[6x6])	107.8380	0.000	1	107.6180	0.097	2	107.6180	0.097	2	107.4945	2.033	8	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	H	4:4:4:1:	4:4:4:2:	4:	C[6x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6]-4:O-2:	C[4x6]-4:	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[3x6]C[4x6]C[6]O)(C[6,6]C[3x6]HH)(H)	C[3x6](C[4x6]C[6,6]C[6x6]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]HH)(OH)	H(C[4x6]C[3x6]C[6,6]C[6x6])	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[3x6]C[4x6]C[6]O)(C[6,6]C[3x6]HH)(H){1|O<1>,6|C<4>,6|H<1>}	C[3x6](C[4x6]C[6,6]C[6x6]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,6|C<4>,7|H<1>}	H(C[4x6]C[3x6]C[6,6]C[6x6])	107.3980	0.000	1	107.6180	0.097	2	107.6180	0.097	2	107.4945	2.033	8	109.4717	3.631	91	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	3:4:4:1:	4:4:3:4:	4:	C[5a,6,6]-3:C[4x6]-4:C[3x6]-4:H-1:	C[4x6]-4:C[6,6]-4:C[3x6]-3:C-4:	C[4x6]-4:	C[4x6](C[5a,6,6]C[5a,6,6]N[5a])(C[4x6]C[3x6]C[6,6]C)(C[3x6]C[4x6]CH)(H)	C[4x6](C[4x6]C[5a,6,6]C[3x6]H)(C[6,6]C[6,6]HH)(C[3x6]C[4x6]O)(CH3)	H(C[4x6]C[5a,6,6]C[3x6]C[4x6])	C[4x6](C[5a,6,6]C[5a,6,6]N[5a])(C[4x6]C[3x6]C[6,6]C)(C[3x6]C[4x6]CH)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[4x6](C[4x6]C[5a,6,6]C[3x6]H)(C[6,6]C[6,6]HH)(C[3x6]C[4x6]O)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(C[4x6]C[5a,6,6]C[3x6]C[4x6])	112.7970	0.000	1	112.7970	0.000	1	112.7970	0.000	1	112.7970	0.000	1	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:3:4:1:	4:4:3:1:	4:	C[4x6]-4:C[3x6]-3:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-3:Br-1:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]C[6,6]Br)(C[3x6]C[3x6]C[6])(C[6,6]C[6]2H)(H)	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]O[6]H)(C[6,6]O[6,6]O)(Br)	H(C[4x6]C[3x6]C[4x6]C[6,6])	C[4x6](C[4x6]C[3x6]C[6,6]Br)(C[3x6]C[3x6]C[6])(C[6,6]C[6]2H)(H){1|O<1>,2|C<4>,2|O<2>,7|H<1>}	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]O[6]H)(C[6,6]O[6,6]O)(Br){1|C<3>,3|C<4>,3|H<1>}	H(C[4x6]C[3x6]C[4x6]C[6,6])	110.0310	0.000	1	110.0310	0.000	1	110.0310	0.000	1	110.0310	0.000	1	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:2:1:	4:3:4:3:	4:	C[4x6]-4:C[4x6]-4:O[6,6]-2:H-1:	C[4x6]-4:C[3x6]-3:C[6]-4:C[6]-3:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]C[6]2)(C[4x6]C[6,6]2C[6])(O[6,6]C[6,6])(H)	C[4x6](C[4x6]C[4x6]O[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]CH)(C[6]O[6]O)	H(C[4x6]C[4x6]2O[6,6])	C[4x6](C[4x6]C[3x6]C[6]2)(C[4x6]C[6,6]2C[6])(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,3|O<2>,4|C<4>,5|H<1>}	C[4x6](C[4x6]C[4x6]O[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]CH)(C[6]O[6]O){1|C<3>,4|C<4>,4|H<1>}	H(C[4x6]C[4x6]2O[6,6])	108.7340	0.000	1	108.7340	0.000	1	108.7340	0.000	1	108.7340	0.000	1	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:2:1:	4:4:3:1:	4:	C[3x6]-4:C[4x6]-4:O[6,6]-2:H-1:	C[4x6]-4:C[3x6]-4:C[3x6]-3:H-1:	C[4x6]-4:	C[4x6](C[3x6]C[3x6]C[6,6]C)(C[4x6]C[3x6]2H)(O[6,6]C[6,6])(H)	C[4x6](C[4x6]C[3x6]O[6,6]H)(C[3x6]O[6,6]C[6]H)(C[3x6]C[3x6]C[6])(H)	H(C[4x6]C[3x6]C[4x6]O[6,6])	C[4x6](C[3x6]C[3x6]C[6,6]C)(C[4x6]C[3x6]2H)(O[6,6]C[6,6])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[4x6](C[4x6]C[3x6]O[6,6]H)(C[3x6]O[6,6]C[6]H)(C[3x6]C[3x6]C[6])(H){3|C<3>,3|C<4>,4|H<1>}	H(C[4x6]C[3x6]C[4x6]O[6,6])	108.3070	0.000	1	108.3070	0.000	1	108.3070	0.000	1	108.3070	0.000	1	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:2:1:	4:4:3:4:	4:	C[4x6]-4:C[4x6]-4:O[6,6]-2:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]C[6]2)(C[4x6]C[6,6]2C[6])(O[6,6]C[6,6])(H)	C[4x6](C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HO)(C[6,6]C[6]2)(C[6]O[6]HH)	H(C[4x6]C[4x6]2O[6,6])	C[4x6](C[4x6]C[3x6]C[6]2)(C[4x6]C[6,6]2C[6])(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,3|O<2>,4|C<4>,5|H<1>}	C[4x6](C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HO)(C[6,6]C[6]2)(C[6]O[6]HH){2|C<4>,3|C<3>,4|H<1>}	H(C[4x6]C[4x6]2O[6,6])	108.8180	0.000	1	108.9900	0.059	2	108.9900	0.059	2	108.9900	0.059	2	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:2:1:	4:4:3:4:	4:	C[4x6]-4:C[4x6]-4:O[6,6]-2:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]C[6]2)(C[4x6]C[6,6]2C[6])(O[6,6]C[6,6])(H)	C[4x6](C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HO)(C[6,6]C[6]2)(C[6]O[6]HH)	H(C[4x6]C[4x6]2O[6,6])	C[4x6](C[4x6]C[3x6]C[6]2)(C[4x6]C[6,6]2C[6])(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,3|O<2>,4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HO)(C[6,6]C[6]2)(C[6]O[6]HH){2|C<3>,3|C<4>,4|H<1>}	H(C[4x6]C[4x6]2O[6,6])	109.1620	0.000	1	108.9900	0.059	2	108.9900	0.059	2	108.9900	0.059	2	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:2:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:O[6,6]-2:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(O[6,6]C[3x6])(H)	C[4x6](C[4x6]C[4x6]2C[6,6])(C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HH)(H)	H(C[4x6]C[4x6]2O[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)2(O[6,6]C[3x6])(H){5|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]2C[6,6])(C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HH)(H){5|H<1>,7|C<4>}	H(C[4x6]C[4x6]2O[6,6])	107.9507	0.143	3	107.9507	0.021	3	108.6107	2.864	6	108.6107	2.864	6	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:2:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:O[6,6]-2:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(O[6,6]C[3x6])(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HH)(H)	H(C[4x6]C[4x6]2O[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)2(O[6,6]C[3x6])(H){5|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HH)(H){4|C<4>,5|H<1>}	H(C[4x6]C[4x6]2O[6,6])	109.2707	2.415	3	109.2707	5.832	3	108.6107	2.864	6	108.6107	2.864	6	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:2:1:	4:4:4:3:	4:	C[4x6]-4:C[4x6]-4:O[6,6]-2:H-1:	C[4x6]-4:C[3x6]-4:C[6]-4:C[6]-3:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]C[6]2)(C[4x6]C[6,6]2C[6])(O[6,6]C[6,6])(H)	C[4x6](C[4x6]C[4x6]O[6,6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)	H(C[4x6]C[4x6]2O[6,6])	C[4x6](C[4x6]C[3x6]C[6]2)(C[4x6]C[6,6]2C[6])(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,3|O<2>,4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]O[6,6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]CH)(C[6]O[6]O){1|C<3>,4|C<4>,4|H<1>}	H(C[4x6]C[4x6]2O[6,6])	109.2170	0.000	1	109.2170	0.000	1	109.2170	0.000	1	109.2170	0.000	1	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:3:1:	3:4:3:4:	4:	C[4x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[5a,6,6]-3:C[4x6]-4:C[3x6]-3:C-4:	C[4x6]-4:	C[4x6](C[4x6]C[5a,6,6]C[3x6]C)(C[3x6]C[4x6]CH)(C[6,6]C[6,6]O)(H)	C[4x6](C[5a,6,6]C[5a,6,6]C[5a,6a])(C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]O)(CH3)	H(C[4x6]C[3x6]C[4x6]C[6,6])	C[4x6](C[4x6]C[5a,6,6]C[3x6]C)(C[3x6]C[4x6]CH)(C[6,6]C[6,6]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[4x6](C[5a,6,6]C[5a,6,6]C[5a,6a])(C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]O)(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<3>,4|C<4>}	H(C[4x6]C[3x6]C[4x6]C[6,6])	110.9890	0.000	1	110.9890	0.000	1	110.9890	0.000	1	110.9890	0.000	1	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:3:1:	4:4:2:1:	4:	C[4x6]-4:C[3x6]-4:C[3x6]-3:H-1:	C[3x6]-4:C[4x6]-4:O[6,6]-2:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]O[6,6]H)(C[3x6]O[6,6]C[6]H)(C[3x6]C[3x6]C[6])(H)	C[4x6](C[3x6]C[3x6]C[6,6]C)(C[4x6]C[3x6]2H)(O[6,6]C[6,6])(H)	H(C[4x6]C[3x6]2C[4x6])	C[4x6](C[4x6]C[3x6]O[6,6]H)(C[3x6]O[6,6]C[6]H)(C[3x6]C[3x6]C[6])(H){3|C<3>,3|C<4>,4|H<1>}	C[4x6](C[3x6]C[3x6]C[6,6]C)(C[4x6]C[3x6]2H)(O[6,6]C[6,6])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[4x6]C[3x6]2C[4x6])	111.2310	0.000	1	111.2310	0.000	1	111.2310	0.000	1	111.2310	0.000	1	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:3:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CH)(C[6,6]C[6,6]H)(H)	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]HH)(H)	H(C[4x6]C[3x6]C[4x6]C[6,6])	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CH)(C[6,6]C[6,6]H)(H){2|C<4>,6|H<1>}	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[4x6]C[3x6]C[4x6]C[6,6])	113.1820	0.000	1	113.1820	0.000	1	111.8300	0.922	4	110.1089	4.442	13	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:3:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CO)(C[6,6]C[6,6]H)(H)	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]HH)(H)	H(C[4x6]C[3x6]C[4x6]C[6,6])	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CO)(C[6,6]C[6,6]H)(H){2|C<4>,6|H<1>}	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[4x6]C[3x6]C[4x6]C[6,6])	111.5200	0.000	1	111.5200	0.000	1	111.8300	0.922	4	110.1089	4.442	13	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:3:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]H)(H)	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CH)(C[6,6]C[6,6]HH)(H)	H(C[4x6]C[3x6]C[4x6]C[6,6])	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,2|C<4>,5|H<1>}	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[4x6]C[3x6]C[4x6]C[6,6])	110.9220	0.000	1	110.9220	0.000	1	111.8300	0.922	4	110.1089	4.442	13	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:3:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]H)(H)	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CO)(C[6,6]C[6,6]HH)(H)	H(C[4x6]C[3x6]C[4x6]C[6,6])	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]H)(H){1|O<2>,3|C<4>,4|H<1>}	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CO)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[4x6]C[3x6]C[4x6]C[6,6])	111.6960	0.000	1	111.6960	0.000	1	111.8300	0.922	4	110.1089	4.442	13	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:3:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]C[6,6])(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]C[6,6])(H){6|C<4>,7|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	H(C[4x6]C[4x6]2C[6,6])	108.1652	1.137	6	108.1652	1.293	6	108.1652	1.293	6	110.1089	4.442	13	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:3:1:	4:4:4:1:	4:	C[4x6]-4:C[6,6]-4:C[3x6]-3:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[3x6]C[4x6]O)(H)	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]HH)(H)	H(C[4x6]C[3x6]C[4x6]C[6,6])	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[3x6]C[4x6]O)(H){2|C<4>,7|H<1>}	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[4x6]C[3x6]C[4x6]C[6,6])	112.0100	0.000	1	112.0100	0.000	1	112.2530	0.118	2	110.1089	4.442	13	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:3:1:	4:4:4:1:	4:	C[4x6]-4:C[6,6]-4:C[3x6]-3:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HO)(C[3x6]C[4x6]O)(H)	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]HH)(H)	H(C[4x6]C[3x6]C[4x6]C[6,6])	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HO)(C[3x6]C[4x6]O)(H){2|C<4>,7|H<1>}	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[4x6]C[3x6]C[4x6]C[6,6])	112.4960	0.000	1	112.4960	0.000	1	112.2530	0.118	2	110.1089	4.442	13	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,3x6]-4:C[4x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[5,3x6]C[5,6a]C[5,6]C[6,6])(C[4x6]C[3x6]C[6,6]H)(C[6,6]O[6,6]O)(H)	C[4x6](C[4x6]C[5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]HH)(H)	H(C[4x6]C[5,3x6]C[4x6]C[6,6])	C[4x6](C[5,3x6]C[5,6a]C[5,6]C[6,6])(C[4x6]C[3x6]C[6,6]H)(C[6,6]O[6,6]O)(H){1|N<2>,3|C<3>,3|C<4>,4|H<1>}	C[4x6](C[4x6]C[5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[4x6]C[5,3x6]C[4x6]C[6,6])	110.5990	0.000	1	110.5990	0.000	1	110.5990	0.000	1	110.1089	4.442	13	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:2:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:O[6,6]-2:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]2C[6,6])(C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(O[6,6]C[3x6])(H)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]2C[6,6])(C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HH)(H){5|H<1>,7|C<4>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(O[6,6]C[3x6])(H){5|C<4>,6|H<1>}	H(C[4x6]C[4x6]2C[6,6])	107.8703	1.778	3	107.8703	3.161	3	108.1274	2.144	5	108.1274	2.144	5	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:2:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:O[6,6]-2:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(O[6,6]C[3x6])(H)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HH)(H){4|C<4>,5|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(O[6,6]C[3x6])(H){5|C<4>,6|H<1>}	H(C[4x6]C[4x6]2C[6,6])	108.5130	1.325	2	108.5130	1.756	2	108.1274	2.144	5	108.1274	2.144	5	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:3:1:	4:	C[4x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CH)(C[6,6]C[6,6]HH)(H)	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]H)(H)	H(C[4x6]C[3x6]C[4x6]C[6,6])	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[4x6]C[3x6]C[4x6]C[6,6])	111.3410	0.000	1	111.3410	0.000	1	111.4133	1.081	4	109.9051	3.195	13	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:3:1:	4:	C[4x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CO)(C[6,6]C[6,6]HH)(H)	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]H)(H)	H(C[4x6]C[3x6]C[4x6]C[6,6])	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CO)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]H)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[4x6]C[3x6]C[4x6]C[6,6])	110.6770	0.000	1	110.6770	0.000	1	111.4133	1.081	4	109.9051	3.195	13	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:3:1:	4:	C[4x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]HH)(H)	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CH)(C[6,6]C[6,6]H)(H)	H(C[4x6]C[3x6]C[4x6]C[6,6])	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CH)(C[6,6]C[6,6]H)(H){2|C<4>,6|H<1>}	H(C[4x6]C[3x6]C[4x6]C[6,6])	112.9060	0.000	1	112.9060	0.000	1	111.4133	1.081	4	109.9051	3.195	13	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:3:1:	4:	C[4x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]HH)(H)	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CO)(C[6,6]C[6,6]H)(H)	H(C[4x6]C[3x6]C[4x6]C[6,6])	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CO)(C[6,6]C[6,6]H)(H){2|C<4>,6|H<1>}	H(C[4x6]C[3x6]C[4x6]C[6,6])	110.7290	0.000	1	110.7290	0.000	1	111.4133	1.081	4	109.9051	3.195	13	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:3:1:	4:	C[4x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[6,6]-4:C[3x6]-3:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]HH)(H)	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[3x6]C[4x6]O)(H)	H(C[4x6]C[3x6]C[4x6]C[6,6])	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[3x6]C[4x6]O)(H){2|C<4>,7|H<1>}	H(C[4x6]C[3x6]C[4x6]C[6,6])	110.8910	0.000	1	110.8910	0.000	1	110.9325	0.003	2	109.9051	3.195	13	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:3:1:	4:	C[4x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[6,6]-4:C[3x6]-3:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]HH)(H)	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HO)(C[3x6]C[4x6]O)(H)	H(C[4x6]C[3x6]C[4x6]C[6,6])	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HO)(C[3x6]C[4x6]O)(H){2|C<4>,7|H<1>}	H(C[4x6]C[3x6]C[4x6]C[6,6])	110.9740	0.000	1	110.9740	0.000	1	110.9325	0.003	2	109.9051	3.195	13	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:3:1:	4:	C[4x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[4x6]-4:C[6,6]-3:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]HH)(H)	C[4x6](C[5,3x6]C[5,6a]C[5,6]C[6,6])(C[4x6]C[3x6]C[6,6]H)(C[6,6]O[6,6]O)(H)	H(C[4x6]C[3x6]C[4x6]C[6,6])	C[4x6](C[4x6]C[5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[4x6](C[5,3x6]C[5,6a]C[5,6]C[6,6])(C[4x6]C[3x6]C[6,6]H)(C[6,6]O[6,6]O)(H){1|N<2>,3|C<3>,3|C<4>,4|H<1>}	H(C[4x6]C[3x6]C[4x6]C[6,6])	108.7290	0.000	1	108.7290	0.000	1	108.7290	0.000	1	109.9051	3.195	13	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:3:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-3:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]C[6,6])(H)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]C[6,6])(H){6|C<4>,7|H<1>}	H(C[4x6]C[4x6]2C[6,6])	108.7532	1.705	6	108.7532	2.909	6	108.7532	2.909	6	109.9051	3.195	13	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[4x6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[4x6]-4:H-1:	C[4x6]-4:	C[4x6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2Cl)(C[4x6]C[3x6]2H)(H)	C[4x6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2Cl)(C[4x6]C[3x6]2H)(H)	H(C[4x6]C[3x6]2C[4x6])	C[4x6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2Cl)(C[4x6]C[3x6]2H)(H){2|Cl<1>,1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[4x6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2Cl)(C[4x6]C[3x6]2H)(H){2|Cl<1>,1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[4x6]C[3x6]2C[4x6])	106.9640	0.076	2	106.9640	0.006	2	107.0158	0.088	10	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[4x6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[4x6]-4:H-1:	C[4x6]-4:	C[4x6](C[3x6]C[4x6]C[6,6]Cl)(C[3x6]C[6,6]2H)(C[4x6]C[3x6]2H)(H)	C[4x6](C[3x6]C[4x6]C[6,6]Cl)(C[3x6]C[6,6]2H)(C[4x6]C[3x6]2H)(H)	H(C[4x6]C[3x6]2C[4x6])	C[4x6](C[3x6]C[4x6]C[6,6]Cl)(C[3x6]C[6,6]2H)(C[4x6]C[3x6]2H)(H){2|Cl<1>,2|C<3>,3|C<4>,5|H<1>}	C[4x6](C[3x6]C[4x6]C[6,6]Cl)(C[3x6]C[6,6]2H)(C[4x6]C[3x6]2H)(H){2|Cl<1>,2|C<3>,3|C<4>,5|H<1>}	H(C[4x6]C[3x6]2C[4x6])	107.1347	0.152	4	107.1347	0.023	4	107.0158	0.088	10	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[4x6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[4x6]-4:H-1:	C[4x6]-4:	C[4x6](C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2H)(C[4x6]C[3x6]2H)(H)	C[4x6](C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2H)(C[4x6]C[3x6]2H)(H)	H(C[4x6]C[3x6]2C[4x6])	C[4x6](C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2H)(C[4x6]C[3x6]2H)(H){1|Br<1>,2|Cl<1>,1|C<3>,3|C<4>,6|H<1>}	C[4x6](C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2H)(C[4x6]C[3x6]2H)(H){1|Br<1>,2|Cl<1>,1|C<3>,3|C<4>,6|H<1>}	H(C[4x6]C[3x6]2C[4x6])	106.5430	0.178	2	106.9228	0.207	4	107.0158	0.088	10	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[4x6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[4x6]-4:H-1:	C[4x6]-4:	C[4x6](C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2H)(C[4x6]C[3x6]2H)(H)	C[4x6](C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2H)(C[4x6]C[3x6]2H)(H)	H(C[4x6]C[3x6]2C[4x6])	C[4x6](C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2H)(C[4x6]C[3x6]2H)(H){2|Cl<1>,2|C<3>,2|C<4>,6|H<1>}	C[4x6](C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2H)(C[4x6]C[3x6]2H)(H){2|Cl<1>,2|C<3>,2|C<4>,6|H<1>}	H(C[4x6]C[3x6]2C[4x6])	107.3025	0.117	2	106.9228	0.207	4	107.0158	0.088	10	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]2C[6,6])(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]2C[6,6])(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H){7|C<4>,7|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|O<2>,4|C<4>,6|H<1>}	H(C[4x6]C[4x6]2C[6,6])	108.1750	1.264	3	108.1750	1.599	3	109.0349	0.620	119	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]C)(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]C)(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]C)(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H){1|C<2>,4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]C)(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H){1|C<2>,4|C<4>,6|H<1>}	H(C[4x6]C[4x6]2C[6,6])	108.8495	0.018	4	108.8483	0.009	7	109.0349	0.620	119	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]C)(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]C)(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]C)(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H){5|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]C)(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H){5|C<4>,6|H<1>}	H(C[4x6]C[4x6]2C[6,6])	108.8467	0.162	3	108.8483	0.009	7	109.0349	0.620	119	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]C)(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]C)(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H){4|C<4>,7|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	H(C[4x6]C[4x6]2C[6,6])	108.7790	0.109	2	108.7790	0.012	2	109.0349	0.620	119	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H){1|N<2>,4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H){1|N<2>,4|C<4>,6|H<1>}	H(C[4x6]C[4x6]2C[6,6])	109.0035	0.037	2	109.6772	0.351	6	109.0349	0.620	119	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H){1|N<4>,4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H){1|N<4>,4|C<4>,6|H<1>}	H(C[4x6]C[4x6]2C[6,6])	110.0140	0.362	4	109.6772	0.351	6	109.0349	0.620	119	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H){1|N<4>,4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|N<4>,4|C<4>,6|H<1>}	H(C[4x6]C[4x6]2C[6,6])	109.0710	0.536	4	109.0902	0.175	6	109.0349	0.620	119	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H){4|C<4>,7|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|N<2>,4|C<4>,6|H<1>}	H(C[4x6]C[4x6]2C[6,6])	109.1285	0.097	2	109.0902	0.175	6	109.0349	0.620	119	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]O)(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]O)(C[6,6]C[3x6]HH)(H){4|C<4>,7|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|O<2>,4|C<4>,6|H<1>}	H(C[4x6]C[4x6]2C[6,6])	109.0195	0.039	2	109.0195	0.002	2	109.0349	0.620	119	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]P)(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]P)(C[6,6]C[3x6]HH)(H){4|C<4>,7|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|P<4>,4|C<4>,6|H<1>}	H(C[4x6]C[4x6]2C[6,6])	109.3650	0.127	2	109.3650	0.016	2	109.0349	0.620	119	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HH)(H){4|C<4>,5|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|O<2>,4|C<4>,6|H<1>}	H(C[4x6]C[4x6]2C[6,6])	109.4380	0.116	3	109.4380	0.013	3	109.0349	0.620	119	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]2C[6,6])(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|O<2>,4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]2C[6,6])(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H){7|C<4>,7|H<1>}	H(C[4x6]C[4x6]2C[6,6])	108.2050	1.347	3	108.2050	1.814	3	109.0349	0.620	119	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]C)(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]C)(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H){4|C<4>,7|H<1>}	H(C[4x6]C[4x6]2C[6,6])	108.6240	0.000	1	108.6240	0.000	1	109.0349	0.620	119	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|N<2>,4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H){4|C<4>,7|H<1>}	H(C[4x6]C[4x6]2C[6,6])	109.0070	0.055	2	108.9160	0.062	6	109.0349	0.620	119	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|N<4>,4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H){1|N<4>,4|C<4>,6|H<1>}	H(C[4x6]C[4x6]2C[6,6])	108.8705	0.306	4	108.9160	0.062	6	109.0349	0.620	119	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]O)(C[6,6]C[3x6]HH)(H)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|O<2>,4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]O)(C[6,6]C[3x6]HH)(H){4|C<4>,7|H<1>}	H(C[4x6]C[4x6]2C[6,6])	108.9045	0.066	2	108.9045	0.004	2	109.0349	0.620	119	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]P)(C[6,6]C[3x6]HH)(H)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|P<4>,4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]P)(C[6,6]C[3x6]HH)(H){4|C<4>,7|H<1>}	H(C[4x6]C[4x6]2C[6,6])	108.7990	0.150	2	108.7990	0.022	2	109.0349	0.620	119	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HH)(H)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|O<2>,4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HH)(H){4|C<4>,5|H<1>}	H(C[4x6]C[4x6]2C[6,6])	109.1403	0.233	3	109.1403	0.054	3	109.0349	0.620	119	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|C<2>,4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|C<2>,4|C<4>,6|H<1>}	H(C[4x6]C[4x6]2C[6,6])	109.0097	0.039	4	109.0687	0.782	71	109.0349	0.620	119	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	H(C[4x6]C[4x6]2C[6,6])	109.3128	1.750	6	109.0687	0.782	71	109.0349	0.620	119	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){4|C<4>,7|H<1>}	H(C[4x6]C[4x6]2C[6,6])	108.1808	1.569	6	109.0687	0.782	71	109.0349	0.620	119	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	H(C[4x6]C[4x6]2C[6,6])	109.0933	1.354	6	109.0687	0.782	71	109.0349	0.620	119	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){4|C<4>,7|H<1>}	H(C[4x6]C[4x6]2C[6,6])	108.6375	0.043	2	109.0687	0.782	71	109.0349	0.620	119	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|N<2>,4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){4|C<4>,7|H<1>}	H(C[4x6]C[4x6]2C[6,6])	109.0165	0.087	2	109.0687	0.782	71	109.0349	0.620	119	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|N<3>,4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){4|C<4>,7|H<1>}	H(C[4x6]C[4x6]2C[6,6])	108.9276	0.218	12	109.0687	0.782	71	109.0349	0.620	119	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|N<4>,4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|N<4>,4|C<4>,6|H<1>}	H(C[4x6]C[4x6]2C[6,6])	108.8545	0.313	4	109.0687	0.782	71	109.0349	0.620	119	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|O<2>,4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){4|C<4>,7|H<1>}	H(C[4x6]C[4x6]2C[6,6])	108.9300	0.004	2	109.0687	0.782	71	109.0349	0.620	119	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|P<4>,4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){4|C<4>,7|H<1>}	H(C[4x6]C[4x6]2C[6,6])	108.7595	0.103	2	109.0687	0.782	71	109.0349	0.620	119	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){4|C<4>,7|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	H(C[4x6]C[4x6]2C[6,6])	109.4697	0.955	6	109.0687	0.782	71	109.0349	0.620	119	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){4|C<4>,7|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	H(C[4x6]C[4x6]2C[6,6])	110.4835	0.022	2	109.0687	0.782	71	109.0349	0.620	119	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){4|C<4>,7|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|N<2>,4|C<4>,6|H<1>}	H(C[4x6]C[4x6]2C[6,6])	108.9730	0.000	1	109.0687	0.782	71	109.0349	0.620	119	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){4|C<4>,7|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|N<3>,4|C<4>,6|H<1>}	H(C[4x6]C[4x6]2C[6,6])	109.3284	0.223	12	109.0687	0.782	71	109.0349	0.620	119	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){4|C<4>,7|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|O<2>,4|C<4>,6|H<1>}	H(C[4x6]C[4x6]2C[6,6])	109.2375	0.028	2	109.0687	0.782	71	109.0349	0.620	119	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){4|C<4>,7|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|P<4>,4|C<4>,6|H<1>}	H(C[4x6]C[4x6]2C[6,6])	108.9540	0.004	2	109.0687	0.782	71	109.0349	0.620	119	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[5x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[5x6]C[6,6]H)2(C[6,6]C[4x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6,6]C[3x6]HH)(H)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[5x6]C[6,6]H)2(C[6,6]C[4x6]HH)(H){4|C<4>,7|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6,6]C[3x6]HH)(H){1|C<3>,4|H<1>,6|C<4>}	H(C[4x6]C[4x6]2C[6,6])	109.4423	0.126	4	109.2471	0.112	7	108.8372	0.835	13	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[5x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[5x6]C[6,6]H)2(C[6,6]C[4x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6,6]C[3x6]HH)(H)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[5x6]C[6,6]H)2(C[6,6]C[4x6]HH)(H){4|C<4>,7|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6,6]C[3x6]HH)(H){5|H<1>,6|C<4>}	H(C[4x6]C[4x6]2C[6,6])	108.9870	0.367	3	109.2471	0.112	7	108.8372	0.835	13	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[5x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[5x6]C[6,6]H)2(C[6,6]C[6x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[5x6]C[6x6]H)(C[6,6]C[3x6]HH)(H)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[5x6]C[6,6]H)2(C[6,6]C[6x6]HH)(H){5|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[5x6]C[6x6]H)(C[6,6]C[3x6]HH)(H){1|C<3>,4|H<1>,6|C<4>}	H(C[4x6]C[4x6]2C[6,6])	107.1735	0.039	2	108.3588	1.359	6	108.8372	0.835	13	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[5x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[5x6]C[6,6]H)2(C[6,6]C[6x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[5x6]C[6x6]H)(C[6,6]C[3x6]HH)(H)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[5x6]C[6,6]H)2(C[6,6]C[6x6]HH)(H){5|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[5x6]C[6x6]H)(C[6,6]C[3x6]HH)(H){1|P<4>,4|H<1>,6|C<4>}	H(C[4x6]C[4x6]2C[6,6])	109.5290	0.253	2	108.3588	1.359	6	108.8372	0.835	13	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[5x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[5x6]C[6,6]H)2(C[6,6]C[6x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[5x6]C[6x6]H)(C[6,6]C[3x6]HH)(H)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[5x6]C[6,6]H)2(C[6,6]C[6x6]HH)(H){5|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[5x6]C[6x6]H)(C[6,6]C[3x6]HH)(H){5|H<1>,6|C<4>}	H(C[4x6]C[4x6]2C[6,6])	108.3740	1.088	2	108.3588	1.359	6	108.8372	0.835	13	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[5x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[5x6]C[6,6]H)2(C[6,6]C[4x6]HH)(H)	H(C[4x6]C[4x6]C[5x6]C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6,6]C[3x6]HH)(H){1|C<3>,4|H<1>,6|C<4>}	C[4x6](C[4x6]C[5x6]C[6,6]H)2(C[6,6]C[4x6]HH)(H){4|C<4>,7|H<1>}	H(C[4x6]C[4x6]C[5x6]C[6,6])	109.4120	0.617	4	109.4829	0.284	7	109.0145	1.466	13	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[5x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[5x6]C[6,6]H)2(C[6,6]C[4x6]HH)(H)	H(C[4x6]C[4x6]C[5x6]C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6,6]C[3x6]HH)(H){5|H<1>,6|C<4>}	C[4x6](C[4x6]C[5x6]C[6,6]H)2(C[6,6]C[4x6]HH)(H){4|C<4>,7|H<1>}	H(C[4x6]C[4x6]C[5x6]C[6,6])	109.5773	0.507	3	109.4829	0.284	7	109.0145	1.466	13	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[5x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[5x6]C[6x6]H)(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[5x6]C[6,6]H)2(C[6,6]C[6x6]HH)(H)	H(C[4x6]C[4x6]C[5x6]C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[5x6]C[6x6]H)(C[6,6]C[3x6]HH)(H){1|C<3>,4|H<1>,6|C<4>}	C[4x6](C[4x6]C[5x6]C[6,6]H)2(C[6,6]C[6x6]HH)(H){5|C<4>,6|H<1>}	H(C[4x6]C[4x6]C[5x6]C[6,6])	109.4305	2.915	2	108.4682	2.513	6	109.0145	1.466	13	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[5x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[5x6]C[6x6]H)(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[5x6]C[6,6]H)2(C[6,6]C[6x6]HH)(H)	H(C[4x6]C[4x6]C[5x6]C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[5x6]C[6x6]H)(C[6,6]C[3x6]HH)(H){1|P<4>,4|H<1>,6|C<4>}	C[4x6](C[4x6]C[5x6]C[6,6]H)2(C[6,6]C[6x6]HH)(H){5|C<4>,6|H<1>}	H(C[4x6]C[4x6]C[5x6]C[6,6])	107.4210	0.047	2	108.4682	2.513	6	109.0145	1.466	13	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[5x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[5x6]C[6x6]H)(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[5x6]C[6,6]H)2(C[6,6]C[6x6]HH)(H)	H(C[4x6]C[4x6]C[5x6]C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[5x6]C[6x6]H)(C[6,6]C[3x6]HH)(H){5|H<1>,6|C<4>}	C[4x6](C[4x6]C[5x6]C[6,6]H)2(C[6,6]C[6x6]HH)(H){5|C<4>,6|H<1>}	H(C[4x6]C[4x6]C[5x6]C[6,6])	108.5530	0.047	2	108.4682	2.513	6	109.0145	1.466	13	108.8863	0.905	155	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:2:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:C-2:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]C)(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(CC)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]C)(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H){1|C<2>,4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(CC){4|C<4>,7|H<1>}	H(C[4x6]C[4x6]2C[6,6])	108.8443	0.036	3	108.8443	0.001	3	108.8443	0.001	3	108.7084	0.702	9	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:2:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:N-2:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(NN)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H){1|N<2>,4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(NN){4|C<4>,7|H<1>}	H(C[4x6]C[4x6]2C[6,6])	109.0025	0.037	2	109.0775	0.011	4	109.0775	0.011	4	108.7084	0.702	9	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:2:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:N-2:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(NN)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H){4|C<4>,7|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(NN){4|C<4>,7|H<1>}	H(C[4x6]C[4x6]2C[6,6])	109.1525	0.097	2	109.0775	0.011	4	109.0775	0.011	4	108.7084	0.702	9	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:2:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:O-2:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]O)(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(OH)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]O)(C[6,6]C[3x6]HH)(H){4|C<4>,7|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(OH){4|C<4>,7|H<1>}	H(C[4x6]C[4x6]2C[6,6])	109.0320	0.000	1	109.0320	0.000	1	109.0320	0.000	1	108.7084	0.702	9	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:2:	4:	C[4x6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[4x6]-4:C[3x6]-4:O-2:	C[4x6]-4:	C[4x6](C[4x6]C[5,3x6]C[3x6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[4x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[4x6]C[6,6]C[6x6]H)(C[3x6]C[3x6]C[6]H)(OH)	H(C[4x6]C[4x6]C[6,6]C[6x6])	C[4x6](C[4x6]C[5,3x6]C[3x6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|C<3>,5|C<4>,8|H<1>}	C[4x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[4x6]C[6,6]C[6x6]H)(C[3x6]C[3x6]C[6]H)(OH){1|N<3>,6|H<1>,7|C<4>}	H(C[4x6]C[4x6]C[6,6]C[6x6])	106.5010	0.000	1	106.5010	0.000	1	106.5010	0.000	1	108.7084	0.702	9	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:3:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:C-3:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]C)(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(CNO)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]C)(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H){4|C<4>,7|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(CNO){4|C<4>,7|H<1>}	H(C[4x6]C[4x6]2C[6,6])	108.7795	0.057	2	108.7795	0.003	2	108.7795	0.003	2	108.7795	0.003	2	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[4x6]-4:C[6,6]-4:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]2C[6,6])(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]2C[6,6])(C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]2C[6,6])(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H){7|C<4>,7|H<1>}	C[4x6](C[4x6]C[4x6]2C[6,6])(C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH){11|H<1>,1|O<2>,8|C<4>}	H(C[4x6]C[4x6]2C[6,6])	109.2653	0.714	3	109.2653	0.510	3	109.3008	0.487	6	109.3295	0.385	20	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[4x6]-4:C[6,6]-4:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]2C[6,6])(C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]2C[6,6])(C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]2C[6,6])(C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HH)(H){5|H<1>,7|C<4>}	C[4x6](C[4x6]C[4x6]2C[6,6])(C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH){11|H<1>,1|O<2>,8|C<4>}	H(C[4x6]C[4x6]2C[6,6])	109.3363	0.839	3	109.3363	0.704	3	109.3008	0.487	6	109.3295	0.385	20	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:C-4:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]C)(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(CHHO)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]C)(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H){5|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(CHHO){4|C<4>,7|H<1>}	H(C[4x6]C[4x6]2C[6,6])	108.8855	0.155	4	108.8855	0.024	4	108.8855	0.024	4	109.3295	0.385	20	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:N-4:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(NH3)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H){1|N<4>,4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(NH3){4|C<4>,7|H<1>}	H(C[4x6]C[4x6]2C[6,6])	108.9755	0.060	2	108.9755	0.004	2	109.5666	0.506	8	109.3295	0.385	20	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:N-4:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(NPtHH)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H){1|N<4>,4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(NPtHH){4|C<4>,7|H<1>}	H(C[4x6]C[4x6]2C[6,6])	109.0935	0.899	2	109.0935	0.808	2	109.5666	0.506	8	109.3295	0.385	20	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:N-4:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(NCCH)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H){1|N<4>,4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(NCCH){4|C<4>,7|H<1>}	H(C[4x6]C[4x6]2C[6,6])	110.0987	0.389	4	110.0987	0.151	4	109.5666	0.506	8	109.3295	0.385	20	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:P-4:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]P)(C[6,6]C[3x6]HH)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(PCl2O)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]P)(C[6,6]C[3x6]HH)(H){4|C<4>,7|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(PCl2O){4|C<4>,7|H<1>}	H(C[4x6]C[4x6]2C[6,6])	109.3555	0.127	2	109.3555	0.016	2	109.3555	0.016	2	109.3295	0.385	20	109.0589	1.418	232	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[5x6]	H	4:2:2:1:	4:4:4:4:	4:	C[5x6]-4:O[6,6]-2:O[3x6]-2:H-1:	C[4x6]-4:C[4x6]-4:C[3x6]-4:C[6]-4:	C[4x6]-4:	C[4x6](C[5x6]C[3x6]C[4x6]C[6])(O[6,6]C[5,3x6])(O[3x6]C[4x6])(H)	C[5x6](C[4x6]C[5,5x6]C[6]H)(C[4x6]O[3x6]O[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[4x6]C[5x6]O[3x6]O[6,6])	C[4x6](C[5x6]C[3x6]C[4x6]C[6])(O[6,6]C[5,3x6])(O[3x6]C[4x6])(H){1|O<2>,5|H<1>,6|C<4>}	C[5x6](C[4x6]C[5,5x6]C[6]H)(C[4x6]O[3x6]O[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<3>,2|O<2>,4|H<1>,6|C<4>}	H(C[4x6]C[5x6]O[3x6]O[6,6])	109.2960	0.000	1	109.2960	0.000	1	109.2960	0.000	1	109.2960	0.000	1	108.6394	1.499	20	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[5x6]	H	4:4:3:1:	4:4:4:3:	4:	C[4,3x6]-4:C[5x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[4x6]-4:C[3x6]-4:N-3:	C[4x6]-4:	C[4x6](C[4,3x6]C[4,3x6]C[4,6,6]H)(C[5x6]C[3x6]C[4x6]N)(C[6,6]C[6,6]C[6])(H)	C[5x6](C[4x6]C[4,3x6]C[6,6]H)(C[4x6]C[4,4x6]C[6]H)(C[3x6]N[6,6]N[6]H)(NOO)	H(C[4x6]C[4,3x6]C[5x6]C[6,6])	C[4x6](C[4,3x6]C[4,3x6]C[4,6,6]H)(C[5x6]C[3x6]C[4x6]N)(C[6,6]C[6,6]C[6])(H){1|C<3>,1|O<1>,3|C<4>,3|N<3>,4|H<1>}	C[5x6](C[4x6]C[4,3x6]C[6,6]H)(C[4x6]C[4,4x6]C[6]H)(C[3x6]N[6,6]N[6]H)(NOO){1|N<3>,2|H<1>,3|C<4>,4|C<3>}	H(C[4x6]C[4,3x6]C[5x6]C[6,6])	109.0710	0.066	2	109.0710	0.004	2	109.0710	0.004	2	109.4573	0.203	4	108.6394	1.499	20	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[5x6]	H	4:4:3:1:	4:4:4:3:	4:	C[4,4x6]-4:C[5x6]-4:C[6]-3:H-1:	C[4x6]-4:C[4x6]-4:C[3x6]-4:N-3:	C[4x6]-4:	C[4x6](C[4,4x6]C[4,3x6]C[4,6,6]N)(C[5x6]C[3x6]C[4x6]N)(C[6]C[6]H)(H)	C[5x6](C[4x6]C[4,3x6]C[6,6]H)(C[4x6]C[4,4x6]C[6]H)(C[3x6]N[6,6]N[6]H)(NOO)	H(C[4x6]C[4,4x6]C[5x6]C[6])	C[4x6](C[4,4x6]C[4,3x6]C[4,6,6]N)(C[5x6]C[3x6]C[4x6]N)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|N<3>,5|H<1>}	C[5x6](C[4x6]C[4,3x6]C[6,6]H)(C[4x6]C[4,4x6]C[6]H)(C[3x6]N[6,6]N[6]H)(NOO){1|N<3>,2|H<1>,3|C<4>,4|C<3>}	H(C[4x6]C[4,4x6]C[5x6]C[6])	109.8435	0.090	2	109.8435	0.008	2	109.8435	0.008	2	109.4573	0.203	4	108.6394	1.499	20	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[5x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[5x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6x6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6,6]C[3x6]HH)(H)	C[5x6](C[4x6]C[4x6]C[6,6]H)2(C[6x6]C[5x6]C[6,6]2)(H)	H(C[4x6]C[4x6]C[5x6]C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6,6]C[3x6]HH)(H){1|C<3>,4|H<1>,6|C<4>}	C[5x6](C[4x6]C[4x6]C[6,6]H)2(C[6x6]C[5x6]C[6,6]2)(H){11|H<1>,5|C<4>}	H(C[4x6]C[4x6]C[5x6]C[6,6])	108.4265	1.061	4	108.4567	0.834	7	108.4567	0.834	7	108.6415	1.395	13	108.6394	1.499	20	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[5x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[5x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6x6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6,6]C[3x6]HH)(H)	C[5x6](C[4x6]C[4x6]C[6,6]H)2(C[6x6]C[5x6]C[6,6]2)(H)	H(C[4x6]C[4x6]C[5x6]C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6,6]C[3x6]HH)(H){5|H<1>,6|C<4>}	C[5x6](C[4x6]C[4x6]C[6,6]H)2(C[6x6]C[5x6]C[6,6]2)(H){11|H<1>,5|C<4>}	H(C[4x6]C[4x6]C[5x6]C[6,6])	108.4970	0.899	3	108.4567	0.834	7	108.4567	0.834	7	108.6415	1.395	13	108.6394	1.499	20	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[5x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[5x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[5x6]-4:C[6x6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[5x6]C[6x6]H)(C[6,6]C[3x6]HH)(H)	C[5x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6x6]C[5x6]C[6,6]2)(H)	H(C[4x6]C[4x6]C[5x6]C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[5x6]C[6x6]H)(C[6,6]C[3x6]HH)(H){1|C<3>,4|H<1>,6|C<4>}	C[5x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6x6]C[5x6]C[6,6]2)(H){7|C<4>,9|H<1>}	H(C[4x6]C[4x6]C[5x6]C[6,6])	108.4240	2.674	2	108.8570	2.243	6	108.8570	2.243	6	108.6415	1.395	13	108.6394	1.499	20	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[5x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[5x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[5x6]-4:C[6x6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[5x6]C[6x6]H)(C[6,6]C[3x6]HH)(H)	C[5x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6x6]C[5x6]C[6,6]2)(H)	H(C[4x6]C[4x6]C[5x6]C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[5x6]C[6x6]H)(C[6,6]C[3x6]HH)(H){1|P<4>,4|H<1>,6|C<4>}	C[5x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6x6]C[5x6]C[6,6]2)(H){7|C<4>,9|H<1>}	H(C[4x6]C[4x6]C[5x6]C[6,6])	109.5225	1.334	2	108.8570	2.243	6	108.8570	2.243	6	108.6415	1.395	13	108.6394	1.499	20	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[5x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[5x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[5x6]-4:C[6x6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[5x6]C[6x6]H)(C[6,6]C[3x6]HH)(H)	C[5x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6x6]C[5x6]C[6,6]2)(H)	H(C[4x6]C[4x6]C[5x6]C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[5x6]C[6x6]H)(C[6,6]C[3x6]HH)(H){5|H<1>,6|C<4>}	C[5x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6x6]C[5x6]C[6,6]2)(H){7|C<4>,9|H<1>}	H(C[4x6]C[4x6]C[5x6]C[6,6])	108.6245	0.957	2	108.8570	2.243	6	108.8570	2.243	6	108.6415	1.395	13	108.6394	1.499	20	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[5x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5x6]-4:C[5x6]-4:C[6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[3x6]-4:C[6]-4:	C[4x6]-4:	C[4x6](C[5,5x6]C[5,3x6]C[4x6]C[5])(C[5x6]C[3x6]C[4x6]C[6])(C[6]C[6]HO)(H)	C[5x6](C[4x6]C[5,5x6]C[6]H)(C[4x6]O[3x6]O[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[4x6]C[5,5x6]C[5x6]C[6])	C[4x6](C[5,5x6]C[5,3x6]C[4x6]C[5])(C[5x6]C[3x6]C[4x6]C[6])(C[6]C[6]HO)(H){1|O<1>,3|O<2>,5|C<4>,7|H<1>}	C[5x6](C[4x6]C[5,5x6]C[6]H)(C[4x6]O[3x6]O[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<3>,2|O<2>,4|H<1>,6|C<4>}	H(C[4x6]C[5,5x6]C[5x6]C[6])	106.9850	0.000	1	106.9850	0.000	1	106.9850	0.000	1	106.6620	0.209	2	108.6394	1.499	20	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[5x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[4x6]-4:C[6]-4:	C[4x6]-4:	C[4x6](C[5x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HO)(C[6,6]C[6]2C)(H)	C[5x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[6,6]N[6]H)(C[4x6]C[6,6]2H)(C[6]C[6]HO)	H(C[4x6]C[5x6]C[6,6]2)	C[4x6](C[5x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HO)(C[6,6]C[6]2C)(H){1|C<3>,1|N<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[5x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[6,6]N[6]H)(C[4x6]C[6,6]2H)(C[6]C[6]HO){1|O<2>,2|C<3>,6|C<4>,6|H<1>}	H(C[4x6]C[5x6]C[6,6]2)	106.3390	0.000	1	106.3390	0.000	1	106.3390	0.000	1	106.6620	0.209	2	108.6394	1.499	20	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6]-3:C[6x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[5,6,6]C[5,4x6]N[5])(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[6,6](C[4x6]C[5,6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[4x6]C[5,6,6]C[6,6]C[6x6])	C[4x6](C[5,6,6]C[5,4x6]N[5])(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[4x6]C[5,6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<2>,2|H<1>,4|C<4>}	H(C[4x6]C[5,6,6]C[6,6]C[6x6])	109.2367	0.130	3	109.2367	0.017	3	109.2367	0.017	3	109.2367	0.017	3	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:3:4:1:	4:4:1:1:	4:	C[6x6]-4:C[3x6]-3:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[3x6]C[4x6]C[6])(C[6,6]C[3x6]HH)(H)	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[4x6]C[3x6]C[6,6]C[6x6])	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[3x6]C[4x6]C[6])(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[4x6]C[3x6]C[6,6]C[6x6])	108.9990	0.000	1	108.9990	0.000	1	108.9990	0.000	1	108.9990	0.000	1	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[3x6]-4:N[3x6]-3:C[6,6]-4:H-1:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[4x6]-4:	C[4x6](C[3x6]C[5,6]C[6,6]C)(N[3x6]C[6,6]C[6])(C[6,6]C[6,6]CH)(H)	C[6,6](C[4x6]C[3x6]N[3x6]H)(C[6,6]C[3x6]HH)(CCHO)(H)	H(C[4x6]C[3x6]C[6,6]N[3x6])	C[4x6](C[3x6]C[5,6]C[6,6]C)(N[3x6]C[6,6]C[6])(C[6,6]C[6,6]CH)(H){1|C<3>,1|N<3>,2|C<4>,8|H<1>}	C[6,6](C[4x6]C[3x6]N[3x6]H)(C[6,6]C[3x6]HH)(CCHO)(H){1|C<3>,1|H<1>,4|C<4>}	H(C[4x6]C[3x6]C[6,6]N[3x6])	109.2230	0.000	1	109.2230	0.000	1	109.2230	0.000	1	109.6345	0.339	2	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-3:C[6,6]-4:H-1:	C[4x6]-4:C[6]-4:C[6]-4:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]C[6,6]Br)(C[3x6]C[3x6]C[6])(C[6,6]C[6]2H)(H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[4x6]C[3x6]C[4x6]C[6,6])	C[4x6](C[4x6]C[3x6]C[6,6]Br)(C[3x6]C[3x6]C[6])(C[6,6]C[6]2H)(H){1|O<1>,2|C<4>,2|O<2>,7|H<1>}	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	H(C[4x6]C[3x6]C[4x6]C[6,6])	110.0460	0.000	1	110.0460	0.000	1	110.0460	0.000	1	109.6345	0.339	2	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[3x6]-3:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[3x6]C[4x6]O)(H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2	H(C[4x6]C[3x6]C[4x6]C[6,6])	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[3x6]C[4x6]O)(H){2|C<4>,7|H<1>}	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[4x6]C[3x6]C[4x6]C[6,6])	112.0020	0.000	1	112.0020	0.000	1	112.0020	0.000	1	110.3055	5.756	2	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(C[6,6]C[4x6]O)(H)	C[6,6](C[4x6]C[6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[4x6]C[6,6]2C[6x6])	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(C[6,6]C[4x6]O)(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[4x6]C[6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	H(C[4x6]C[6,6]2C[6x6])	108.6090	0.000	1	108.6090	0.000	1	108.6090	0.000	1	110.3055	5.756	2	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[4x6]-4:C[6,6]-4:C[3x6]-3:H-1:	C[4x6]-4:C[6,6]-4:O-2:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HO)(C[3x6]C[4x6]O)(H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(OS)(H)	H(C[4x6]C[3x6]C[4x6]C[6,6])	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HO)(C[3x6]C[4x6]O)(H){2|C<4>,7|H<1>}	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(OS)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[4x6]C[3x6]C[4x6]C[6,6])	112.5320	0.000	1	112.5320	0.000	1	112.5320	0.000	1	112.5320	0.000	1	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]C[6,6]O[6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[4x6]C[3x6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[4x6]C[3x6]2C[6,6])	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]C[6,6]O[6]H)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,1|I<1>,7|H<1>}	C[6,6](C[4x6]C[3x6]2H)(C[6,6]C[3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[4x6]C[3x6]2C[6,6])	110.2170	0.000	1	110.2170	0.000	1	110.2170	0.000	1	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[3x6]C[5,4x6]C[6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[4x6]C[3x6]C[6,6]C[6x6])	C[4x6](C[3x6]C[5,4x6]C[6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|C<3>,5|C<4>,8|H<1>}	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[4x6]C[3x6]C[6,6]C[6x6])	107.1250	0.000	1	106.7848	0.279	5	107.6375	4.585	6	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[3x6]C[5,4x6]C[6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[4x6]C[3x6]C[6,6]C[6x6])	C[4x6](C[3x6]C[5,4x6]C[6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|O<1>,6|C<4>,6|H<1>}	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[4x6]C[3x6]C[6,6]C[6x6])	106.8780	0.000	1	106.7848	0.279	5	107.6375	4.585	6	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[3x6]C[5,4x6]C[6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[4x6]C[3x6]C[6,6]C[6x6])	C[4x6](C[3x6]C[5,4x6]C[6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|O<2>,2|C<3>,4|C<4>,7|H<1>}	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[4x6]C[3x6]C[6,6]C[6x6])	106.6403	0.681	3	106.7848	0.279	5	107.6375	4.585	6	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[3x6]N[5,6,6]C[3x6]H)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[4x6]C[3x6]C[6,6]C[6x6])	C[4x6](C[3x6]N[5,6,6]C[3x6]H)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[4x6]C[3x6]C[6,6]C[6x6])	111.9010	0.000	1	111.9010	0.000	1	107.6375	4.585	6	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4,3x6]C[4,3x6]C[4,6]C)(C[3x6]C[4x6]HH)(C[6,6]C[3x6]HH)(H)	C[6,6](C[4x6]C[4,3x6]C[3x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[4x6]C[4,3x6]C[3x6]C[6,6])	C[4x6](C[4,3x6]C[4,3x6]C[4,6]C)(C[3x6]C[4x6]HH)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[4x6]C[4,3x6]C[3x6]H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	H(C[4x6]C[4,3x6]C[3x6]C[6,6])	109.6507	0.224	3	109.6507	0.050	3	109.6867	0.101	6	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4,3x6]C[4,3x6]C[4,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[3x6]HH)(H)	C[6,6](C[4x6]C[4,3x6]C[3x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[4x6]C[4,3x6]C[3x6]C[6,6])	C[4x6](C[4,3x6]C[4,3x6]C[4,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[4x6]C[4,3x6]C[3x6]H)(C[3x6]C[6,6]2H)(H)2{3|C<4>,7|H<1>}	H(C[4x6]C[4,3x6]C[3x6]C[6,6])	109.7227	0.445	3	109.7227	0.198	3	109.6867	0.101	6	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2	H(C[4x6]C[3x6]C[4x6]C[6,6])	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[4x6]C[3x6]C[4x6]C[6,6])	111.3450	0.000	1	111.3450	0.000	1	110.8936	1.430	7	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CO)(C[6,6]C[6,6]HH)(H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2	H(C[4x6]C[3x6]C[4x6]C[6,6])	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CO)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[4x6]C[3x6]C[4x6]C[6,6])	110.7060	0.000	1	110.7060	0.000	1	110.8936	1.430	7	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2	H(C[4x6]C[3x6]C[4x6]C[6,6])	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[4x6]C[3x6]C[4x6]C[6,6])	110.7110	0.000	1	111.4877	1.319	3	110.8936	1.430	7	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2	H(C[4x6]C[3x6]C[4x6]C[6,6])	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[4x6]C[3x6]C[4x6]C[6,6])	112.8070	0.000	1	111.4877	1.319	3	110.8936	1.430	7	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2	H(C[4x6]C[3x6]C[4x6]C[6,6])	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[4x6]C[3x6]C[4x6]C[6,6])	110.9450	0.000	1	111.4877	1.319	3	110.8936	1.430	7	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HO)(H)2	H(C[4x6]C[3x6]C[4x6]C[6,6])	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HO)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[4x6]C[3x6]C[4x6]C[6,6])	111.0000	0.000	1	111.0000	0.000	1	110.8936	1.430	7	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]HH)(H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[5,6]N[6]H)(H)2	H(C[4x6]C[3x6]C[4x6]C[6,6])	C[4x6](C[4x6]C[5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[5,6]N[6]H)(H)2{1|H<1>,1|N<2>,2|C<3>,3|C<4>}	H(C[4x6]C[3x6]C[4x6]C[6,6])	108.7410	0.000	1	108.7410	0.000	1	110.8936	1.430	7	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]2C[6,6])(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]2C[6,6])(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H){7|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{5|C<4>,5|H<1>}	H(C[4x6]C[4x6]2C[6,6])	109.0683	0.443	3	109.0683	0.196	3	109.2391	0.653	84	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]2C[6,6])(C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]2C[6,6])(C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HH)(H){5|H<1>,7|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|O<2>,4|C<4>,5|H<1>}	H(C[4x6]C[4x6]2C[6,6])	109.2867	0.714	3	109.2867	0.510	3	109.2391	0.653	84	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]C)(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]C)(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H){1|C<2>,4|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|C<2>,4|C<4>,5|H<1>}	H(C[4x6]C[4x6]2C[6,6])	108.8437	0.034	3	108.8536	0.011	9	109.2391	0.653	84	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]C)(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]C)(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H){4|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|C<3>,4|C<4>,5|H<1>}	H(C[4x6]C[4x6]2C[6,6])	108.7955	0.056	2	108.8536	0.011	9	109.2391	0.653	84	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]C)(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]C)(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H){5|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{5|C<4>,5|H<1>}	H(C[4x6]C[4x6]2C[6,6])	108.8900	0.154	4	108.8536	0.011	9	109.2391	0.653	84	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H){1|N<2>,4|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|N<2>,4|C<4>,5|H<1>}	H(C[4x6]C[4x6]2C[6,6])	109.0145	0.018	2	109.3829	0.356	12	109.2391	0.653	84	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H){1|N<4>,4|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|N<4>,4|C<4>,5|H<1>}	H(C[4x6]C[4x6]2C[6,6])	109.5280	0.695	8	109.3829	0.356	12	109.2391	0.653	84	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H){4|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|N<2>,4|C<4>,5|H<1>}	H(C[4x6]C[4x6]2C[6,6])	109.1710	0.082	2	109.3829	0.356	12	109.2391	0.653	84	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]O)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]O)(C[6,6]C[3x6]HH)(H){4|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|O<2>,4|C<4>,5|H<1>}	H(C[4x6]C[4x6]2C[6,6])	109.0290	0.030	2	109.0290	0.001	2	109.2391	0.653	84	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]P)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]P)(C[6,6]C[3x6]HH)(H){4|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|P<4>,4|C<4>,5|H<1>}	H(C[4x6]C[4x6]2C[6,6])	109.3415	0.067	2	109.3415	0.005	2	109.2391	0.653	84	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HH)(H){4|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|O<2>,3|C<4>,6|H<1>}	H(C[4x6]C[4x6]2C[6,6])	110.0873	1.073	3	110.0873	1.152	3	109.2391	0.653	84	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[6,6]2C)(C[4x6]C[4x6]2H)(H)2	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|C<2>,4|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[4x6]C[4x6]2H)(H)2{4|C<4>,6|H<1>}	H(C[4x6]C[4x6]2C[6,6])	109.0140	0.047	3	109.0140	0.002	3	109.2391	0.653	84	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|C<3>,4|C<4>,4|H<1>}	H(C[4x6]C[4x6]2C[6,6])	109.9273	1.966	6	109.2765	1.057	38	109.2391	0.653	84	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[4x6]C[4x6]2C[6,6])	109.6448	1.129	6	109.2765	1.057	38	109.2391	0.653	84	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{4|C<4>,6|H<1>}	H(C[4x6]C[4x6]2C[6,6])	108.6435	0.066	2	109.2765	1.057	38	109.2391	0.653	84	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|N<2>,4|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{4|C<4>,6|H<1>}	H(C[4x6]C[4x6]2C[6,6])	109.0030	0.098	2	109.2765	1.057	38	109.2391	0.653	84	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|N<4>,4|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{4|C<4>,6|H<1>}	H(C[4x6]C[4x6]2C[6,6])	108.8392	0.322	4	109.2765	1.057	38	109.2391	0.653	84	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{4|C<4>,6|H<1>}	H(C[4x6]C[4x6]2C[6,6])	108.9065	0.030	2	109.2765	1.057	38	109.2391	0.653	84	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|P<4>,4|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{4|C<4>,6|H<1>}	H(C[4x6]C[4x6]2C[6,6])	108.7490	0.088	2	109.2765	1.057	38	109.2391	0.653	84	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){4|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{4|C<4>,6|H<1>}	H(C[4x6]C[4x6]2C[6,6])	109.2224	0.741	14	109.2765	1.057	38	109.2391	0.653	84	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[6,6]2N)(C[4x6]C[4x6]2H)(H)2	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|N<3>,4|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2N)(C[4x6]C[4x6]2H)(H)2{4|C<4>,6|H<1>}	H(C[4x6]C[4x6]2C[6,6])	108.9198	0.215	6	108.9198	0.046	6	109.2391	0.653	84	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[4x6]2H)(H)2	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[4x6]2H)(H)2{4|C<4>,4|H<1>}	H(C[4x6]C[4x6]2C[6,6])	109.5567	1.005	3	109.5567	1.010	3	109.2391	0.653	84	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[5x6]C[6,6]H)2(C[6,6]C[4x6]HH)(H)	C[6,6](C[4x6]C[4x6]2H)2(H)2	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[5x6]C[6,6]H)2(C[6,6]C[4x6]HH)(H){4|C<4>,7|H<1>}	C[6,6](C[4x6]C[4x6]2H)2(H)2{4|H<1>,6|C<4>}	H(C[4x6]C[4x6]2C[6,6])	109.5510	0.339	3	109.5510	0.115	3	109.5510	0.115	3	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[6x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[5x6]C[6,6]H)2(C[6,6]C[6x6]HH)(H)	C[6,6](C[6x6]C[5x6]2C[6,6])(C[4x6]C[4x6]2H)(H)2	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[5x6]C[6,6]H)2(C[6,6]C[6x6]HH)(H){5|C<4>,6|H<1>}	C[6,6](C[6x6]C[5x6]2C[6,6])(C[4x6]C[4x6]2H)(H)2{6|H<1>,7|C<4>}	H(C[4x6]C[4x6]2C[6,6])	110.7543	2.158	3	110.7543	4.655	3	110.7543	4.655	3	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[5x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6,6]C[3x6]HH)(H)	C[6,6](C[4x6]C[4x6]C[5x6]H)(C[3x6]C[6,6]2C)(H)2	H(C[4x6]C[4x6]C[5x6]C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6,6]C[3x6]HH)(H){1|C<3>,4|H<1>,6|C<4>}	C[6,6](C[4x6]C[4x6]C[5x6]H)(C[3x6]C[6,6]2C)(H)2{4|C<4>,6|H<1>}	H(C[4x6]C[4x6]C[5x6]C[6,6])	109.1222	0.319	4	109.1222	0.102	4	109.4758	0.500	13	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[5x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6,6]C[3x6]HH)(H)	C[6,6](C[4x6]C[4x6]C[5x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[4x6]C[4x6]C[5x6]C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6,6]C[3x6]HH)(H){5|H<1>,6|C<4>}	C[6,6](C[4x6]C[4x6]C[5x6]H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	H(C[4x6]C[4x6]C[5x6]C[6,6])	109.5013	0.189	3	109.5013	0.036	3	109.4758	0.500	13	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[5x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[5x6]C[6x6]H)(C[6,6]C[3x6]HH)(H)	C[6,6](C[4x6]C[4x6]C[5x6]H)(C[3x6]C[6,6]2C)(H)2	H(C[4x6]C[4x6]C[5x6]C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[5x6]C[6x6]H)(C[6,6]C[3x6]HH)(H){1|C<3>,4|H<1>,6|C<4>}	C[6,6](C[4x6]C[4x6]C[5x6]H)(C[3x6]C[6,6]2C)(H)2{4|C<4>,6|H<1>}	H(C[4x6]C[4x6]C[5x6]C[6,6])	109.1205	0.298	2	109.1205	0.089	2	109.4758	0.500	13	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[5x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[5x6]C[6x6]H)(C[6,6]C[3x6]HH)(H)	C[6,6](C[4x6]C[4x6]C[5x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[4x6]C[4x6]C[5x6]C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[5x6]C[6x6]H)(C[6,6]C[3x6]HH)(H){5|H<1>,6|C<4>}	C[6,6](C[4x6]C[4x6]C[5x6]H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	H(C[4x6]C[4x6]C[5x6]C[6,6])	110.4495	1.076	2	110.4495	1.157	2	109.4758	0.500	13	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[5x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[5x6]C[6x6]H)(C[6,6]C[3x6]HH)(H)	C[6,6](C[4x6]C[4x6]C[5x6]H)(C[3x6]C[6,6]2P)(H)2	H(C[4x6]C[4x6]C[5x6]C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[5x6]C[6x6]H)(C[6,6]C[3x6]HH)(H){1|P<4>,4|H<1>,6|C<4>}	C[6,6](C[4x6]C[4x6]C[5x6]H)(C[3x6]C[6,6]2P)(H)2{4|C<4>,6|H<1>}	H(C[4x6]C[4x6]C[5x6]C[6,6])	109.5265	1.313	2	109.5265	1.724	2	109.4758	0.500	13	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[5,3x6]C[3x6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[6,6](C[4x6]C[4x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[4x6]C[4x6]C[6,6]C[6x6])	C[4x6](C[4x6]C[5,3x6]C[3x6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|C<3>,5|C<4>,8|H<1>}	C[6,6](C[4x6]C[4x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[4x6]C[4x6]C[6,6]C[6x6])	112.0210	0.000	1	112.0210	0.000	1	112.0210	0.000	1	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]N[3x6]C[6]H)(C[6,6]C[3x6]HH)(H)	C[6,6](C[4x6]C[5,3x6]C[3x6]H)(C[3x6]C[3x6]C[6,6]H)(H)2	H(C[4x6]C[5,3x6]C[3x6]C[6,6])	C[4x6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]N[3x6]C[6]H)(C[6,6]C[3x6]HH)(H){5|H<1>,6|C<4>}	C[6,6](C[4x6]C[5,3x6]C[3x6]H)(C[3x6]C[3x6]C[6,6]H)(H)2{1|N<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[4x6]C[5,3x6]C[3x6]C[6,6])	109.8020	0.000	1	109.8020	0.000	1	109.8020	0.000	1	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[5,3x6]C[5,3x6]C[5,6]H)2(C[6,6]C[3x6]HH)(H)	C[6,6](C[4x6]C[5,3x6]2H)(C[3x6]C[6,6]2H)(H)2	H(C[4x6]C[5,3x6]2C[6,6])	C[4x6](C[5,3x6]C[5,3x6]C[5,6]H)2(C[6,6]C[3x6]HH)(H){4|C<4>,7|H<1>}	C[6,6](C[4x6]C[5,3x6]2H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	H(C[4x6]C[5,3x6]2C[6,6])	109.1940	0.000	1	109.1940	0.000	1	109.1940	0.000	1	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[5,6,6]C[5,4x6]N[5]H)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[6,6](C[4x6]C[5,6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[4x6]C[5,6,6]C[6,6]C[6x6])	C[4x6](C[5,6,6]C[5,4x6]N[5]H)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|O<1>,1|S<4>,4|H<1>,6|C<4>}	C[6,6](C[4x6]C[5,6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	H(C[4x6]C[5,6,6]C[6,6]C[6x6])	109.5700	0.000	1	109.5700	0.000	1	109.6040	0.002	2	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[5,6,6]C[5,4x6]O[5]H)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[6,6](C[4x6]C[5,6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[4x6]C[5,6,6]C[6,6]C[6x6])	C[4x6](C[5,6,6]C[5,4x6]O[5]H)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[4x6]C[5,6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[4x6]C[5,6,6]C[6,6]C[6x6])	109.6380	0.000	1	109.6380	0.000	1	109.6040	0.002	2	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[3x6]C[4x6]C[6]O)(C[6,6]C[3x6]HH)(H)	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[4x6]C[3x6]C[6,6]C[6x6])	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[3x6]C[4x6]C[6]O)(C[6,6]C[3x6]HH)(H){1|O<1>,6|C<4>,6|H<1>}	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|H<1>,3|O<2>,4|C<4>}	H(C[4x6]C[3x6]C[6,6]C[6x6])	107.6475	0.361	2	107.6475	0.131	2	107.6475	0.131	2	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[6x6]C[5x6]C[6x6]H)(C[3x6]C[5x6]BrH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[6,6]C[5x6]HH)(H)2	H(C[4x6]C[3x6]C[6,6]C[6x6])	C[4x6](C[6x6]C[5x6]C[6x6]H)(C[3x6]C[5x6]BrH)(C[6,6]C[6,6]HH)(H){4|C<4>,5|H<1>}	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[6,6]C[5x6]HH)(H)2{1|Br<1>,3|C<4>,3|H<1>}	H(C[4x6]C[3x6]C[6,6]C[6x6])	111.0080	0.597	2	111.0080	0.356	2	111.0080	0.356	2	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(C[6,6]C[4x6]HO)(H)	C[6,6](C[4x6]C[6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[4x6]C[6,6]2C[6x6])	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(C[6,6]C[4x6]HO)(H){1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[4x6]C[6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,3|H<1>,3|O<2>}	H(C[4x6]C[6,6]2C[6x6])	108.0510	0.092	2	108.0510	0.008	2	108.2188	0.031	6	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[4x6]C[6,6]C[6x6]H)(C[3x6]C[6,6]2C)(H)2	H(C[4x6]C[6,6]2C[6x6])	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)2(H){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[4x6]C[6,6]C[6x6]H)(C[3x6]C[6,6]2C)(H)2{4|C<4>,6|H<1>}	H(C[4x6]C[6,6]2C[6x6])	108.3220	0.187	2	108.3220	0.035	2	108.2188	0.031	6	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[4x6]C[6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[4x6]C[6,6]2C[6x6])	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)2(H){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[4x6]C[6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	H(C[4x6]C[6,6]2C[6x6])	108.2835	0.162	2	108.2835	0.026	2	108.2188	0.031	6	109.3294	1.254	138	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:O-2:H-1:	C[4x6]-4:	C[4x6](C[5x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HO)(C[6,6]C[6]2C)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[4x6]C[5x6]C[6,6]H)(OC)(H)	H(C[4x6]C[5x6]C[6,6]2)	C[4x6](C[5x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HO)(C[6,6]C[6]2C)(H){1|C<3>,1|N<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[4x6]C[5x6]C[6,6]H)(OC)(H){1|H<1>,2|C<3>,6|C<4>}	H(C[4x6]C[5x6]C[6,6]2)	109.4000	0.000	1	109.4000	0.000	1	109.4000	0.000	1	108.4863	0.628	3	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:O-2:H-1:	C[4x6]-4:	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(C[6,6]C[4x6]HO)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[4x6]C[6,6]C[6x6]H)(OH)(H)	H(C[4x6]C[6,6]2C[6x6])	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(C[6,6]C[4x6]HO)(H){1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[4x6]C[6,6]C[6x6]H)(OH)(H){1|C<3>,1|O<2>,4|H<1>,7|C<4>}	H(C[4x6]C[6,6]2C[6x6])	107.9900	0.000	1	107.9900	0.000	1	108.0295	0.003	2	108.4863	0.628	3	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:O-2:H-1:	C[4x6]-4:	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(C[6,6]C[4x6]HO)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[4x6]C[6,6]C[6x6]H)(OSi)(H)	H(C[4x6]C[6,6]2C[6x6])	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(C[6,6]C[4x6]HO)(H){1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[4x6]C[6,6]C[6x6]H)(OSi)(H){1|C<2>,1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[4x6]C[6,6]2C[6x6])	108.0690	0.000	1	108.0690	0.000	1	108.0295	0.003	2	108.4863	0.628	3	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[6]-4:C[6]-3:C-4:	C[4x6]-4:	C[4x6](C[5x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HO)(C[6,6]C[6]2C)(H)	C[6,6](C[4x6]C[5x6]C[6,6]H)(C[6]C[6]HH)(C[6]N[6]O)(CH3)	H(C[4x6]C[5x6]C[6,6]2)	C[4x6](C[5x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HO)(C[6,6]C[6]2C)(H){1|C<3>,1|N<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[4x6]C[5x6]C[6,6]H)(C[6]C[6]HH)(C[6]N[6]O)(CH3){1|O<2>,3|H<1>,5|C<4>}	H(C[4x6]C[5x6]C[6,6]2)	106.2820	0.000	1	106.2820	0.000	1	106.2820	0.000	1	106.2820	0.000	1	109.3266	1.354	151	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5x6]-4:C[5x6]-4:C[6]-4:H-1:	C[4x6]-4:C[6]-4:O-2:H-1:	C[4x6]-4:	C[4x6](C[5,5x6]C[5,3x6]C[4x6]C[5])(C[5x6]C[3x6]C[4x6]C[6])(C[6]C[6]HO)(H)	C[6](C[4x6]C[5,5x6]C[5x6]H)(C[6]C[5,6]HH)(OC)(H)	H(C[4x6]C[5,5x6]C[5x6]C[6])	C[4x6](C[5,5x6]C[5,3x6]C[4x6]C[5])(C[5x6]C[3x6]C[4x6]C[6])(C[6]C[6]HO)(H){1|O<1>,3|O<2>,5|C<4>,7|H<1>}	C[6](C[4x6]C[5,5x6]C[5x6]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|H<1>,6|C<4>}	H(C[4x6]C[5,5x6]C[5x6]C[6])	106.9780	0.000	1	106.9780	0.000	1	106.9780	0.000	1	106.9780	0.000	1	106.9780	0.000	1	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6x6]	H	3:4:4:1:	4:4:4:4:	4:	C[5,6,6]-3:C[6x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:C[6,6]-4:	C[4x6]-4:	C[4x6](C[5,6,6]C[5,4x6]N[5])(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[6x6](C[4x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)	H(C[4x6]C[5,6,6]C[6,6]C[6x6])	C[4x6](C[5,6,6]C[5,4x6]N[5])(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6x6](C[4x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO){1|C<3>,1|N<2>,1|O<2>,3|C<4>,6|H<1>}	H(C[4x6]C[5,6,6]C[6,6]C[6x6])	109.2080	0.178	3	109.2080	0.032	3	109.2080	0.032	3	109.2080	0.032	3	108.3007	1.876	22	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6x6]	H	4:3:4:1:	4:4:4:3:	4:	C[6x6]-4:C[3x6]-3:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[4x6]-4:	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[3x6]C[4x6]C[6])(C[6,6]C[3x6]HH)(H)	C[6x6](C[4x6]C[3x6]C[6,6]H)(C[4x6]C[6,6]2H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)	H(C[4x6]C[3x6]C[6,6]C[6x6])	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[3x6]C[4x6]C[6])(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[6x6](C[4x6]C[3x6]C[6,6]H)(C[4x6]C[6,6]2H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O){1|C<3>,1|O<1>,2|C<4>,2|O<2>,6|H<1>}	H(C[4x6]C[3x6]C[6,6]C[6x6])	109.0000	0.000	1	109.0000	0.000	1	109.0000	0.000	1	109.0000	0.000	1	108.3007	1.876	22	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6x6]	H	4:4:3:1:	4:4:4:3:	4:	C[6x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[4x6]-4:	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(C[6,6]C[4x6]O)(H)	C[6x6](C[4x6]C[3x6]C[6,6]H)(C[4x6]C[6,6]2H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)	H(C[4x6]C[6,6]2C[6x6])	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(C[6,6]C[4x6]O)(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6x6](C[4x6]C[3x6]C[6,6]H)(C[4x6]C[6,6]2H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O){1|C<3>,1|O<1>,2|C<4>,2|O<2>,6|H<1>}	H(C[4x6]C[6,6]2C[6x6])	108.6080	0.000	1	108.6080	0.000	1	108.6080	0.000	1	108.6080	0.000	1	108.3007	1.876	22	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6x6]	H	4:4:4:1:	4:4:4:1:	4:	C[6x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[5x6]-4:C[6x6]-4:H-1:	C[4x6]-4:	C[4x6](C[6x6]C[5x6]C[6x6]H)(C[3x6]C[5x6]BrH)(C[6,6]C[6,6]HH)(H)	C[6x6](C[4x6]C[3x6]C[6,6]H)(C[5x6]C[5x6]C[6,6]H)(C[6x6]C[4x6]C[5x6]H)(H)	H(C[4x6]C[3x6]C[6,6]C[6x6])	C[4x6](C[6x6]C[5x6]C[6x6]H)(C[3x6]C[5x6]BrH)(C[6,6]C[6,6]HH)(H){4|C<4>,5|H<1>}	C[6x6](C[4x6]C[3x6]C[6,6]H)(C[5x6]C[5x6]C[6,6]H)(C[6x6]C[4x6]C[5x6]H)(H){1|Br<1>,4|C<4>,8|H<1>}	H(C[4x6]C[3x6]C[6,6]C[6x6])	111.0350	0.605	2	111.0350	0.366	2	111.0350	0.366	2	111.0350	0.366	2	108.3007	1.876	22	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6x6]	H	4:4:4:1:	4:4:4:3:	4:	C[3x6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[4x6]-4:	C[4x6](C[3x6]C[5,4x6]C[6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[6x6](C[4x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)	H(C[4x6]C[3x6]C[6,6]C[6x6])	C[4x6](C[3x6]C[5,4x6]C[6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|O<1>,6|C<4>,6|H<1>}	C[6x6](C[4x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O){1|N<3>,1|O<2>,3|C<4>,9|H<1>}	H(C[4x6]C[3x6]C[6,6]C[6x6])	106.9420	0.000	1	106.9420	0.000	1	106.9420	0.000	1	107.9773	0.843	6	108.3007	1.876	22	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6x6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6,6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[4x6]-4:	C[4x6](C[5,6,6]C[5,4x6]N[5]H)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[6x6](C[4x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)	H(C[4x6]C[5,6,6]C[6,6]C[6x6])	C[4x6](C[5,6,6]C[5,4x6]N[5]H)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|O<1>,1|S<4>,4|H<1>,6|C<4>}	C[6x6](C[4x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O){1|N<3>,1|O<2>,3|C<4>,9|H<1>}	H(C[4x6]C[5,6,6]C[6,6]C[6x6])	109.6470	0.000	1	109.6470	0.000	1	109.6470	0.000	1	107.9773	0.843	6	108.3007	1.876	22	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6x6]	H	4:4:4:1:	4:4:4:3:	4:	C[6x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[4x6]-4:	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[3x6]C[4x6]C[6]O)(C[6,6]C[3x6]HH)(H)	C[6x6](C[4x6]C[3x6]C[6,6]H)(C[4x6]C[6,6]2H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)	H(C[4x6]C[3x6]C[6,6]C[6x6])	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[3x6]C[4x6]C[6]O)(C[6,6]C[3x6]HH)(H){1|O<1>,6|C<4>,6|H<1>}	C[6x6](C[4x6]C[3x6]C[6,6]H)(C[4x6]C[6,6]2H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O){3|C<4>,4|O<2>,7|H<1>}	H(C[4x6]C[3x6]C[6,6]C[6x6])	107.6285	0.329	2	107.6285	0.108	2	107.6285	0.108	2	107.9773	0.843	6	108.3007	1.876	22	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6x6]	H	4:4:4:1:	4:4:4:3:	4:	C[6x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[4x6]-4:	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(C[6,6]C[4x6]HO)(H)	C[6x6](C[4x6]C[3x6]C[6,6]H)(C[4x6]C[6,6]2H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)	H(C[4x6]C[6,6]2C[6x6])	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(C[6,6]C[4x6]HO)(H){1|O<1>,4|H<1>,5|C<4>}	C[6x6](C[4x6]C[3x6]C[6,6]H)(C[4x6]C[6,6]2H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O){3|C<4>,4|O<2>,7|H<1>}	H(C[4x6]C[6,6]2C[6x6])	108.0090	0.033	2	108.0090	0.001	2	108.0090	0.001	2	107.9773	0.843	6	108.3007	1.876	22	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6x6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:C[6,6]-4:	C[4x6]-4:	C[4x6](C[3x6]C[5,4x6]C[6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[6x6](C[4x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)	H(C[4x6]C[3x6]C[6,6]C[6x6])	C[4x6](C[3x6]C[5,4x6]C[6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|O<2>,2|C<3>,4|C<4>,7|H<1>}	C[6x6](C[4x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO){1|C<3>,1|N<2>,1|O<2>,3|C<4>,6|H<1>}	H(C[4x6]C[3x6]C[6,6]C[6x6])	106.6367	0.693	3	106.6367	0.481	3	106.8938	0.370	5	107.4944	1.284	9	108.3007	1.876	22	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6x6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:C[6,6]-4:	C[4x6]-4:	C[4x6](C[3x6]C[5,4x6]C[6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[6x6](C[4x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)2	H(C[4x6]C[3x6]C[6,6]C[6x6])	C[4x6](C[3x6]C[5,4x6]C[6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|C<3>,5|C<4>,8|H<1>}	C[6x6](C[4x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)2{1|O<1>,2|O<2>,3|C<4>,7|H<1>}	H(C[4x6]C[3x6]C[6,6]C[6x6])	107.1780	0.000	1	107.1780	0.000	1	106.8938	0.370	5	107.4944	1.284	9	108.3007	1.876	22	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6x6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:C[6,6]-4:	C[4x6]-4:	C[4x6](C[3x6]N[5,6,6]C[3x6]H)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[6x6](C[4x6]C[3x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)	H(C[4x6]C[3x6]C[6,6]C[6x6])	C[4x6](C[3x6]N[5,6,6]C[3x6]H)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	C[6x6](C[4x6]C[3x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH){1|N<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	H(C[4x6]C[3x6]C[6,6]C[6x6])	107.3810	0.000	1	107.3810	0.000	1	106.8938	0.370	5	107.4944	1.284	9	108.3007	1.876	22	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:C[6,6]-4:	C[4x6]-4:	C[4x6](C[4x6]C[5,3x6]C[3x6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[6x6](C[4x6]C[3x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)	H(C[4x6]C[4x6]C[6,6]C[6x6])	C[4x6](C[4x6]C[5,3x6]C[3x6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|C<3>,5|C<4>,8|H<1>}	C[6x6](C[4x6]C[3x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH){1|N<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	H(C[4x6]C[4x6]C[6,6]C[6x6])	106.6700	0.000	1	106.6700	0.000	1	106.6700	0.000	1	107.4944	1.284	9	108.3007	1.876	22	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:C[6,6]-4:	C[4x6]-4:	C[4x6](C[5,6,6]C[5,4x6]O[5]H)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[6x6](C[4x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)2	H(C[4x6]C[5,6,6]C[6,6]C[6x6])	C[4x6](C[5,6,6]C[5,4x6]O[5]H)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[6x6](C[4x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)2{1|O<1>,2|O<2>,3|C<4>,7|H<1>}	H(C[4x6]C[5,6,6]C[6,6]C[6x6])	109.7350	0.000	1	109.7350	0.000	1	109.7350	0.000	1	107.4944	1.284	9	108.3007	1.876	22	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[4x6]	C[6x6]	H	4:4:4:1:	4:4:4:4:	4:	C[6x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:C[6,6]-4:	C[4x6]-4:	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)2(H)	C[6x6](C[4x6]C[6,6]2H)2(C[6,6]C[6,6]HH)2	H(C[4x6]C[6,6]2C[6x6])	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)2(H){1|C<3>,4|C<4>,6|H<1>}	C[6x6](C[4x6]C[6,6]2H)2(C[6,6]C[6,6]HH)2{12|H<1>,2|C<4>}	H(C[4x6]C[6,6]2C[6x6])	108.2880	0.168	2	108.2880	0.028	2	108.2880	0.028	2	107.4944	1.284	9	108.3007	1.876	22	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[5x6]	C[3x6]	H	4:4:4:1:	4:4:1:1:	4:	C[5x6]-4:C[5x6]-4:C[3x6]-4:H-1:	C[4x6]-4:C[5x6]-4:Br-1:H-1:	C[5x6]-4:	C[5x6](C[5x6]C[3x6]C[5x6]H)(C[5x6]C[6,6]C[6x6]H)(C[3x6]C[4x6]BrH)(H)	C[3x6](C[4x6]C[6,6]C[6x6]H)(C[5x6]C[5x6]2H)(Br)(H)	H(C[5x6]C[3x6]C[5x6]2)	C[5x6](C[5x6]C[3x6]C[5x6]H)(C[5x6]C[6,6]C[6x6]H)(C[3x6]C[4x6]BrH)(H){1|Br<1>,4|C<4>,6|H<1>}	C[3x6](C[4x6]C[6,6]C[6x6]H)(C[5x6]C[5x6]2H)(Br)(H){4|C<4>,5|H<1>}	H(C[5x6]C[3x6]C[5x6]2)	111.5080	0.274	2	111.5080	0.075	2	111.5080	0.075	2	111.5080	0.075	2	111.5080	0.075	2	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[5x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:C[6x6]-4:H-1:	C[4x6]-4:C[5x6]-4:C[6,6]-4:H-1:	C[5x6]-4:	C[5x6](C[4x6]C[4x6]C[6,6]H)2(C[6x6]C[5x6]C[6,6]2)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6,6]C[3x6]HH)(H)	H(C[5x6]C[4x6]2C[6x6])	C[5x6](C[4x6]C[4x6]C[6,6]H)2(C[6x6]C[5x6]C[6,6]2)(H){11|H<1>,5|C<4>}	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6,6]C[3x6]HH)(H){1|C<3>,4|H<1>,6|C<4>}	H(C[5x6]C[4x6]2C[6x6])	108.2910	0.639	4	108.5784	0.310	8	108.5784	0.310	8	109.0319	1.129	14	109.0319	1.129	14	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[5x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:C[6x6]-4:H-1:	C[4x6]-4:C[5x6]-4:C[6,6]-4:H-1:	C[5x6]-4:	C[5x6](C[4x6]C[4x6]C[6,6]H)2(C[6x6]C[5x6]C[6,6]2)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6,6]C[3x6]HH)(H)	H(C[5x6]C[4x6]2C[6x6])	C[5x6](C[4x6]C[4x6]C[6,6]H)2(C[6x6]C[5x6]C[6,6]2)(H){11|H<1>,5|C<4>}	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6,6]C[3x6]HH)(H){5|H<1>,6|C<4>}	H(C[5x6]C[4x6]2C[6x6])	108.8658	0.308	4	108.5784	0.310	8	108.5784	0.310	8	109.0319	1.129	14	109.0319	1.129	14	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[5x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[5x6]-4:C[6x6]-4:H-1:	C[4x6]-4:C[5x6]-4:C[6,6]-4:H-1:	C[5x6]-4:	C[5x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6x6]C[5x6]C[6,6]2)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[5x6]C[6x6]H)(C[6,6]C[3x6]HH)(H)	H(C[5x6]C[4x6]C[5x6]C[6x6])	C[5x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6x6]C[5x6]C[6,6]2)(H){7|C<4>,9|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[5x6]C[6x6]H)(C[6,6]C[3x6]HH)(H){1|C<3>,4|H<1>,6|C<4>}	H(C[5x6]C[4x6]C[5x6]C[6x6])	108.3855	0.780	2	109.6365	1.734	6	109.6365	1.734	6	109.0319	1.129	14	109.0319	1.129	14	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[5x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[5x6]-4:C[6x6]-4:H-1:	C[4x6]-4:C[5x6]-4:C[6,6]-4:H-1:	C[5x6]-4:	C[5x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6x6]C[5x6]C[6,6]2)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[5x6]C[6x6]H)(C[6,6]C[3x6]HH)(H)	H(C[5x6]C[4x6]C[5x6]C[6x6])	C[5x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6x6]C[5x6]C[6,6]2)(H){7|C<4>,9|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[5x6]C[6x6]H)(C[6,6]C[3x6]HH)(H){1|P<4>,4|H<1>,6|C<4>}	H(C[5x6]C[4x6]C[5x6]C[6x6])	110.6855	1.621	2	109.6365	1.734	6	109.6365	1.734	6	109.0319	1.129	14	109.0319	1.129	14	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[5x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[5x6]-4:C[6x6]-4:H-1:	C[4x6]-4:C[5x6]-4:C[6,6]-4:H-1:	C[5x6]-4:	C[5x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6x6]C[5x6]C[6,6]2)(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[5x6]C[6x6]H)(C[6,6]C[3x6]HH)(H)	H(C[5x6]C[4x6]C[5x6]C[6x6])	C[5x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6x6]C[5x6]C[6,6]2)(H){7|C<4>,9|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[5x6]C[6x6]H)(C[6,6]C[3x6]HH)(H){5|H<1>,6|C<4>}	H(C[5x6]C[4x6]C[5x6]C[6x6])	109.8385	0.151	2	109.6365	1.734	6	109.6365	1.734	6	109.0319	1.129	14	109.0319	1.129	14	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[5x6]	C[5x6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5x6]-4:C[5x6]-4:C[6,6]-3:H-1:	C[5,5x6]-4:C[5x6]-4:C[6,6]-3:H-1:	C[5x6]-4:	C[5x6](C[5,5x6]P[5,5,3x6]C[5,4x6]C[6a])(C[5x6]C[5,5x6]C[6,6]H)(C[6,6]C[6,6]C[6a])(H)	C[5x6](C[5,5x6]P[5,5,3x6]C[5,4x6]C[6a])(C[5x6]C[5,5x6]C[6,6]H)(C[6,6]C[6,6]C[6a])(H)	H(C[5x6]C[5,5x6]C[5x6]C[6,6])	C[5x6](C[5,5x6]P[5,5,3x6]C[5,4x6]C[6a])(C[5x6]C[5,5x6]C[6,6]H)(C[6,6]C[6,6]C[6a])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|P<4>,8|C<3>}	C[5x6](C[5,5x6]P[5,5,3x6]C[5,4x6]C[6a])(C[5x6]C[5,5x6]C[6,6]H)(C[6,6]C[6,6]C[6a])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|P<4>,8|C<3>}	H(C[5x6]C[5,5x6]C[5x6]C[6,6])	107.6058	2.859	4	107.6058	8.176	4	107.6058	8.176	4	107.6058	8.176	4	109.4241	4.233	16	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[5x6]	C[5x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[5x6]-4:C[6x6]-4:H-1:	C[4x6]-4:C[5x6]-4:C[6x6]-4:H-1:	C[5x6]-4:	C[5x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6x6]C[5x6]C[6,6]2)(H)	C[5x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6x6]C[5x6]C[6,6]2)(H)	H(C[5x6]C[4x6]C[5x6]C[6x6])	C[5x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6x6]C[5x6]C[6,6]2)(H){7|C<4>,9|H<1>}	C[5x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6x6]C[5x6]C[6,6]2)(H){7|C<4>,9|H<1>}	H(C[5x6]C[4x6]C[5x6]C[6x6])	108.8713	0.878	6	108.8713	0.772	6	108.8713	0.772	6	110.0302	1.939	12	109.4241	4.233	16	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[5x6]	C[5x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5x6]-4:C[5x6]-4:C[3x6]-4:H-1:	C[5x6]-4:C[5x6]-4:C[3x6]-4:H-1:	C[5x6]-4:	C[5x6](C[5x6]C[3x6]C[5x6]H)(C[5x6]C[6,6]C[6x6]H)(C[3x6]C[4x6]BrH)(H)	C[5x6](C[5x6]C[3x6]C[5x6]H)(C[5x6]C[6,6]C[6x6]H)(C[3x6]C[4x6]BrH)(H)	H(C[5x6]C[3x6]C[5x6]2)	C[5x6](C[5x6]C[3x6]C[5x6]H)(C[5x6]C[6,6]C[6x6]H)(C[3x6]C[4x6]BrH)(H){1|Br<1>,4|C<4>,6|H<1>}	C[5x6](C[5x6]C[3x6]C[5x6]H)(C[5x6]C[6,6]C[6x6]H)(C[3x6]C[4x6]BrH)(H){1|Br<1>,4|C<4>,6|H<1>}	H(C[5x6]C[3x6]C[5x6]2)	111.5125	0.177	2	111.5125	0.032	2	111.5125	0.032	2	110.0302	1.939	12	109.4241	4.233	16	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[5x6]	C[5x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5x6]-4:C[5x6]-4:C[3x6]-4:H-1:	C[5x6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[5x6]-4:	C[5x6](C[5x6]C[3x6]C[5x6]H)(C[5x6]C[6,6]C[6x6]H)(C[3x6]C[4x6]BrH)(H)	C[5x6](C[5x6]C[3x6]C[5x6]H)(C[6x6]C[4x6]C[6x6]H)(C[6,6]C[6,6]HH)(H)	H(C[5x6]C[3x6]C[5x6]2)	C[5x6](C[5x6]C[3x6]C[5x6]H)(C[5x6]C[6,6]C[6x6]H)(C[3x6]C[4x6]BrH)(H){1|Br<1>,4|C<4>,6|H<1>}	C[5x6](C[5x6]C[3x6]C[5x6]H)(C[6x6]C[4x6]C[6x6]H)(C[6,6]C[6,6]HH)(H){1|Br<1>,4|C<4>,6|H<1>}	H(C[5x6]C[3x6]C[5x6]2)	111.5235	0.148	2	111.5235	0.022	2	111.5235	0.022	2	110.0302	1.939	12	109.4241	4.233	16	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[5x6]	C[5x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5x6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[5x6]-4:C[5x6]-4:C[3x6]-4:H-1:	C[5x6]-4:	C[5x6](C[5x6]C[3x6]C[5x6]H)(C[6x6]C[4x6]C[6x6]H)(C[6,6]C[6,6]HH)(H)	C[5x6](C[5x6]C[3x6]C[5x6]H)(C[5x6]C[6,6]C[6x6]H)(C[3x6]C[4x6]BrH)(H)	H(C[5x6]C[5x6]C[6,6]C[6x6])	C[5x6](C[5x6]C[3x6]C[5x6]H)(C[6x6]C[4x6]C[6x6]H)(C[6,6]C[6,6]HH)(H){1|Br<1>,4|C<4>,6|H<1>}	C[5x6](C[5x6]C[3x6]C[5x6]H)(C[5x6]C[6,6]C[6x6]H)(C[3x6]C[4x6]BrH)(H){1|Br<1>,4|C<4>,6|H<1>}	H(C[5x6]C[5x6]C[6,6]C[6x6])	110.5310	0.052	2	110.5310	0.003	2	110.5310	0.003	2	110.0302	1.939	12	109.4241	4.233	16	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[5x6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5x6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[5x6]-4:	C[5x6](C[5x6]C[3x6]C[5x6]H)(C[6x6]C[4x6]C[6x6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5x6]C[5x6]C[6x6]H)(C[6,6]C[4x6]HH)(H)2	H(C[5x6]C[5x6]C[6,6]C[6x6])	C[5x6](C[5x6]C[3x6]C[5x6]H)(C[6x6]C[4x6]C[6x6]H)(C[6,6]C[6,6]HH)(H){1|Br<1>,4|C<4>,6|H<1>}	C[6,6](C[5x6]C[5x6]C[6x6]H)(C[6,6]C[4x6]HH)(H)2{3|H<1>,4|C<4>}	H(C[5x6]C[5x6]C[6,6]C[6x6])	110.4865	0.023	2	110.4865	0.001	2	110.4865	0.001	2	110.4865	0.001	2	110.4865	0.001	2	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[5x6]	C[6x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5x6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[5x6]-4:C[6x6]-4:H-1:	C[5x6]-4:	C[5x6](C[5x6]C[3x6]C[5x6]H)(C[6x6]C[4x6]C[6x6]H)(C[6,6]C[6,6]HH)(H)	C[6x6](C[4x6]C[3x6]C[6,6]H)(C[5x6]C[5x6]C[6,6]H)(C[6x6]C[4x6]C[5x6]H)(H)	H(C[5x6]C[5x6]C[6,6]C[6x6])	C[5x6](C[5x6]C[3x6]C[5x6]H)(C[6x6]C[4x6]C[6x6]H)(C[6,6]C[6,6]HH)(H){1|Br<1>,4|C<4>,6|H<1>}	C[6x6](C[4x6]C[3x6]C[6,6]H)(C[5x6]C[5x6]C[6,6]H)(C[6x6]C[4x6]C[5x6]H)(H){1|Br<1>,4|C<4>,8|H<1>}	H(C[5x6]C[5x6]C[6,6]C[6x6])	110.5245	0.006	2	110.5245	0.000	2	110.5245	0.000	2	110.5245	0.000	2	108.8785	1.801	12	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[5x6]	C[6x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[4x6]-4:C[6x6]-4:H-1:	C[5x6]-4:C[5x6]-4:C[6,6]-4:C[6,6]-4:	C[5x6]-4:	C[5x6](C[4x6]C[4x6]C[6,6]H)2(C[6x6]C[5x6]C[6,6]2)(H)	C[6x6](C[5x6]C[4x6]2H)2(C[6,6]C[3x6]HH)2	H(C[5x6]C[4x6]2C[6x6])	C[5x6](C[4x6]C[4x6]C[6,6]H)2(C[6x6]C[5x6]C[6,6]2)(H){11|H<1>,5|C<4>}	C[6x6](C[5x6]C[4x6]2H)2(C[6,6]C[3x6]HH)2{1|C<3>,5|H<1>,6|C<4>}	H(C[5x6]C[4x6]2C[6x6])	109.5192	0.795	4	109.5192	0.632	4	109.5192	0.632	4	108.5493	1.478	10	108.8785	1.801	12	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[5x6]	C[6x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[5x6]-4:C[6x6]-4:H-1:	C[5x6]-4:C[5x6]-4:C[6,6]-4:C[6,6]-4:	C[5x6]-4:	C[5x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6x6]C[5x6]C[6,6]2)(H)	C[6x6](C[5x6]C[4x6]C[5x6]H)2(C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH)	H(C[5x6]C[4x6]C[5x6]C[6x6])	C[5x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6x6]C[5x6]C[6,6]2)(H){7|C<4>,9|H<1>}	C[6x6](C[5x6]C[4x6]C[5x6]H)2(C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH){1|C<3>,5|H<1>,6|C<4>}	H(C[5x6]C[4x6]C[5x6]C[6x6])	108.7775	1.521	2	107.9027	1.027	6	107.9027	1.027	6	108.5493	1.478	10	108.8785	1.801	12	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[5x6]	C[6x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[5x6]-4:C[6x6]-4:H-1:	C[5x6]-4:C[5x6]-4:C[6,6]-4:C[6,6]-4:	C[5x6]-4:	C[5x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6x6]C[5x6]C[6,6]2)(H)	C[6x6](C[5x6]C[4x6]C[5x6]H)2(C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH)	H(C[5x6]C[4x6]C[5x6]C[6x6])	C[5x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6x6]C[5x6]C[6,6]2)(H){7|C<4>,9|H<1>}	C[6x6](C[5x6]C[4x6]C[5x6]H)2(C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH){1|P<4>,5|H<1>,6|C<4>}	H(C[5x6]C[4x6]C[5x6]C[6x6])	107.3590	0.622	2	107.9027	1.027	6	107.9027	1.027	6	108.5493	1.478	10	108.8785	1.801	12	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[5x6]	C[6x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[5x6]-4:C[6x6]-4:H-1:	C[5x6]-4:C[5x6]-4:C[6,6]-4:C[6,6]-4:	C[5x6]-4:	C[5x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6x6]C[5x6]C[6,6]2)(H)	C[6x6](C[5x6]C[4x6]C[5x6]H)2(C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH)	H(C[5x6]C[4x6]C[5x6]C[6x6])	C[5x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6x6]C[5x6]C[6,6]2)(H){7|C<4>,9|H<1>}	C[6x6](C[5x6]C[4x6]C[5x6]H)2(C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH){6|C<4>,6|H<1>}	H(C[5x6]C[4x6]C[5x6]C[6x6])	107.5715	0.309	2	107.9027	1.027	6	107.9027	1.027	6	108.5493	1.478	10	108.8785	1.801	12	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6a]-3:C[3x6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])2(C[3x6]C[3x6]C[6]H)(H)	C[3x6](C[3x6]C[6,6a]O[6]2)(C[6,6]C[6,6a]2H)(C[6]O[6]HO)(H)	H(C[6,6]C[6,6a]2C[3x6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])2(C[3x6]C[3x6]C[6]H)(H){1|H<1>,4|O<2>,7|C<3>}	C[3x6](C[3x6]C[6,6a]O[6]2)(C[6,6]C[6,6a]2H)(C[6]O[6]HO)(H){6|C<3>}	H(C[6,6]C[6,6a]2C[3x6])	110.4000	0.000	1	110.4000	0.000	1	110.4000	0.000	1	110.4000	0.000	1	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	3:4:1:1:	4:3:3:1:	4:	C[5,6,6]-3:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)2(H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)2(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	110.4155	0.022	2	110.4155	0.000	2	110.4155	0.000	2	109.5983	0.402	6	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	3:4:1:1:	4:3:3:1:	4:	P[3x6]-3:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](P[3x6]C[4x6]C[6])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]P[3x6]HH)(C[6,6]C[3x6]C)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]P[3x6]H)	C[6,6](P[3x6]C[4x6]C[6])(C[3x6]C[6,6]2H)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[3x6](C[6,6]P[3x6]HH)(C[6,6]C[3x6]C)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6,6]C[3x6]P[3x6]H)	109.1898	0.046	4	109.1898	0.002	4	109.1898	0.002	4	109.5983	0.402	6	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	3:4:1:1:	4:3:3:4:	4:	C[5,6,6]-3:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2C)(H)2	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)2(CC3)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2C)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)2(CC3){2|C<3>,2|C<4>}	H(C[6,6]C[5,6,6]C[3x6]H)	110.2075	0.011	2	110.2075	0.000	2	110.2075	0.000	2	110.2075	0.000	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	3:4:1:1:	4:3:4:4:	4:	N[3,6,6]-3:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[3x6]-3:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](N[3,6,6]Nb[3,3,3x6]C[3,3])(C[3x6]C[3x6]C[6,6]C)(H)2	C[3x6](C[6,6]N[3,6,6]HH)(C[3x6]N[3x6]C[6])(C[6,6]N[6,6]HH)(CH3)	H(C[6,6]N[3,6,6]C[3x6]H)	C[6,6](N[3,6,6]Nb[3,3,3x6]C[3,3])(C[3x6]C[3x6]C[6,6]C)(H)2{1|Cl<1>,1|C<3>,1|N<2>,1|O<2>,2|H<1>,3|N<3>}	C[3x6](C[6,6]N[3,6,6]HH)(C[3x6]N[3x6]C[6])(C[6,6]N[6,6]HH)(CH3){1|Nb<7>,1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[6,6]N[3,6,6]C[3x6]H)	108.6171	0.103	8	108.6171	0.011	8	108.6171	0.011	8	108.6171	0.011	8	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	3:4:1:1:	4:4:3:2:	4:	N[5,6,6]-3:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[6,6]-4:	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(H)2	C[3x6](C[6,6]N[5,6,6]HH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC)	H(C[6,6]N[5,6,6]C[3x6]H)	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[3x6](C[6,6]N[5,6,6]HH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC){1|C<3>,2|C<4>,2|H<1>}	H(C[6,6]N[5,6,6]C[3x6]H)	110.6355	0.006	2	110.6355	0.000	2	110.6355	0.000	2	110.6355	0.000	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6]-3:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.9330	0.019	3	109.9330	0.000	3	110.2384	0.042	14	110.1002	0.349	28	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6]-3:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]N[5,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2H)(H)2{1|C<4>,1|N<3>,5|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]N[5,6,6]HH)(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	110.1808	0.024	5	110.1808	0.001	5	110.2384	0.042	14	110.1002	0.349	28	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6]-3:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,6,6]HH)2(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)2(C[6,6]C[6,6]HH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	110.4390	0.048	6	110.4390	0.002	6	110.2384	0.042	14	110.1002	0.349	28	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	3:4:1:1:	4:4:4:1:	4:	N[3x6]-3:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[4x6]C[6])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]N[3x6]HH)(H)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](N[3x6]C[4x6]C[6])(C[3x6]C[6,6]2H)(H)2{3|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]N[3x6]HH)(H){1|C<3>,1|H<1>,4|C<4>}	H(C[6,6]C[3x6]N[3x6]H)	109.7905	0.021	2	109.7905	0.000	2	109.7905	0.000	2	110.1002	0.349	28	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	3:4:1:1:	4:4:4:1:	4:	N[5,6,6]-3:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](N[5,6,6]C[5,3x6]O[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]N[5,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]N[5,6,6]C[3x6]H)	C[6,6](N[5,6,6]C[5,3x6]O[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]N[5,6,6]HH)(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6,6]N[5,6,6]C[3x6]H)	109.2082	0.038	6	109.2082	0.001	6	109.7355	0.958	8	110.1002	0.349	28	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	3:4:1:1:	4:4:4:1:	4:	N[5,6,6]-3:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](N[5,6,6]C[5,3x6]S[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]N[5,6,6]HH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]N[5,6,6]C[3x6]H)	C[6,6](N[5,6,6]C[5,3x6]S[5])(C[3x6]C[6,6]2H)(H)2{1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C[3x6](C[6,6]N[5,6,6]HH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|S<4>,4|H<1>}	H(C[6,6]N[5,6,6]C[3x6]H)	111.3175	0.163	2	111.3175	0.027	2	109.7355	0.958	8	110.1002	0.349	28	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	3:4:1:1:	4:4:4:1:	4:	N[6,6]-3:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[5,3x6]C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,6,6]BrH)(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]HH)(H)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](N[6,6]C[5,3x6]C)(C[3x6]C[6,6]2H)(H)2{1|Br<1>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[5,6,6]BrH)(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]HH)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6,6]C[3x6]N[6,6]H)	110.4955	0.025	2	110.5007	0.001	4	110.5007	0.001	4	110.1002	0.349	28	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	3:4:1:1:	4:4:4:1:	4:	N[6,6]-3:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[5,3x6]C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,6,6]BrH)(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]HH)(H)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](N[6,6]C[5,3x6]C)(C[3x6]C[6,6]2H)(H)2{1|Br<1>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[5,6,6]BrH)(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]N[6,6]H)	110.5060	0.038	2	110.5007	0.001	4	110.5007	0.001	4	110.1002	0.349	28	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	3:4:1:1:	4:4:4:4:	4:	C[3x6]-3:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6])(C[3x6]C[6,6]2C)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)2(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6])(C[3x6]C[6,6]2C)(H)2{4|C<4>,5|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)2(CH3){1|C<3>,1|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.9575	0.117	6	109.9575	0.014	6	109.9575	0.014	6	109.6303	0.146	12	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	3:4:1:1:	4:4:4:4:	4:	N[3x6]-3:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](N[3x6]Ga[6x6]C[6])(C[3x6]C[6,6]2C)(H)2	C[3x6](C[6,6]N[3x6]HH)3(CH3)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](N[3x6]Ga[6x6]C[6])(C[3x6]C[6,6]2C)(H)2{1|C<3>,2|N<3>,3|O<2>,5|H<1>}	C[3x6](C[6,6]N[3x6]HH)3(CH3){1|Ga<6>,3|C<3>}	H(C[6,6]C[3x6]N[3x6]H)	109.5043	0.024	3	109.5043	0.001	3	109.3030	0.050	6	109.6303	0.146	12	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	3:4:1:1:	4:4:4:4:	4:	N[3x6]-3:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](N[3x6]In[6x6]C[6])(C[3x6]C[6,6]2C)(H)2	C[3x6](C[6,6]N[3x6]HH)3(CH3)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](N[3x6]In[6x6]C[6])(C[3x6]C[6,6]2C)(H)2{1|C<3>,2|N<3>,3|O<2>,5|H<1>}	C[3x6](C[6,6]N[3x6]HH)3(CH3){1|In<6>,3|C<3>}	H(C[6,6]C[3x6]N[3x6]H)	109.1017	0.050	3	109.1017	0.002	3	109.3030	0.050	6	109.6303	0.146	12	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	3:4:2:1:	4:4:3:4:	4:	C[6,6]-3:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2C)(OH)(H)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2C)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3){1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	109.7615	0.728	2	109.7615	0.529	2	109.7615	0.529	2	109.7615	0.529	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6a]-3:C[3x6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)(O[6]C[6])(H)	C[3x6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]O[6]H)(H)	H(C[6,6]C[6,6a]C[3x6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]O[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[3x6]O[6])	107.6060	0.000	1	107.6060	0.000	1	107.6060	0.000	1	107.6060	0.000	1	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	3:4:2:1:	4:4:4:3:	4:	C[6,6]-3:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2C)(OH)(H)	C[3x6](C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]ClH)(C[6,6]C[6,6]HO)(COO)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2C)(OH)(H){1|Cl<1>,1|H<1>,5|C<4>}	C[3x6](C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]ClH)(C[6,6]C[6,6]HO)(COO){1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	107.9220	0.000	1	107.9220	0.000	1	107.9220	0.000	1	107.9220	0.000	1	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[3x6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(H)	C[3x6](C[6,6]C[6,6a]C[6,6]H)(C[3x6]C[6]O[6]2)(C[6]C[6]O)(H)	H(C[6,6]C[6,6a]C[3x6]C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[3x6](C[6,6]C[6,6a]C[6,6]H)(C[3x6]C[6]O[6]2)(C[6]C[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[3x6]C[6,6])	109.4990	0.865	2	109.4990	0.749	2	109.4990	0.749	2	108.5470	1.395	8	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	3:4:3:1:	4:4:3:1:	4:	N[6,6]-3:C[3x6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]N)(H)	H(C[6,6]C[3x6]N[6,6]C[6a])	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,5|C<3>,5|H<1>}	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]N)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[3x6]N[6,6]C[6a])	107.7617	0.255	3	107.7617	0.065	3	108.2297	1.319	6	108.5470	1.395	8	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	3:4:3:1:	4:4:3:1:	4:	N[6,6]-3:C[3x6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	H(C[6,6]C[3x6]N[6,6]C[6a])	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,5|C<3>,5|H<1>}	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[3x6]N[6,6]C[6a])	107.3710	0.000	1	108.6977	2.577	3	108.2297	1.319	6	108.5470	1.395	8	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	3:4:3:1:	4:4:3:1:	4:	N[6,6]-3:C[3x6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	H(C[6,6]C[3x6]N[6,6]C[6a])	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[3x6]N[6,6]C[6a])	108.2400	0.000	1	108.6977	2.577	3	108.2297	1.319	6	108.5470	1.395	8	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	3:4:3:1:	4:4:3:1:	4:	N[6,6]-3:C[3x6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	H(C[6,6]C[3x6]N[6,6]C[6a])	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[3x6]N[6,6]C[6a])	110.4820	0.000	1	108.6977	2.577	3	108.2297	1.319	6	108.5470	1.395	8	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	3:4:3:1:	4:4:3:2:	4:	N[5,6,6]-3:C[3x6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[6,6]-4:	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[6a]C[6a]2)(H)	C[3x6](C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3,3x6]HH)(C[6,6]C[6,6]H)(OC)	H(C[6,6]N[5,6,6]C[3x6]C[6a])	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[3x6](C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3,3x6]HH)(C[6,6]C[6,6]H)(OC){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6,6]N[5,6,6]C[3x6]C[6a])	108.4960	0.000	1	108.4960	0.000	1	108.5596	0.025	5	108.5596	0.025	5	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	3:4:3:1:	4:4:3:2:	4:	N[5,6,6]-3:C[3x6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[6,6]-4:	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[6a]C[6a]2)(H)	C[3x6](C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC)	H(C[6,6]N[5,6,6]C[3x6]C[6a])	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[3x6](C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC){1|H<1>,2|C<4>,4|C<3>}	H(C[6,6]N[5,6,6]C[3x6]C[6a])	108.7900	0.000	1	108.5755	0.032	4	108.5596	0.025	5	108.5596	0.025	5	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	3:4:3:1:	4:4:3:2:	4:	N[5,6,6]-3:C[3x6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[6,6]-4:	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[6a]C[6a]2)(H)	C[3x6](C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC)	H(C[6,6]N[5,6,6]C[3x6]C[6a])	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[3x6](C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC){2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]N[5,6,6]C[3x6]C[6a])	108.5040	0.130	3	108.5755	0.032	4	108.5596	0.025	5	108.5596	0.025	5	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	3:4:3:1:	4:4:4:1:	4:	C[5a,6]-3:C[3x6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]2H)(C[6]O[6]O)(H)	C[3x6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(H)	H(C[6,6]C[5a,6]C[3x6]C[6])	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]2H)(C[6]O[6]O)(H){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[3x6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[6,6]C[5a,6]C[3x6]C[6])	107.3650	0.000	1	107.3650	0.000	1	107.3650	0.000	1	108.8673	0.536	7	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	3:4:3:1:	4:4:4:1:	4:	C[5a,6]-3:C[3x6]-4:N[6]-3:H-1:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[3x6]C[6]H)(N[6]C[6]C)(H)	C[3x6](C[6,6]C[5a,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5a,6]C[3x6]N[6])	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[3x6]C[6]H)(N[6]C[6]C)(H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	C[3x6](C[6,6]C[5a,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5a,6]C[3x6]N[6])	109.4860	0.105	2	109.4860	0.011	2	109.4860	0.011	2	108.8673	0.536	7	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	3:4:3:1:	4:4:4:1:	4:	C[5a,6]-3:C[3x6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[3x6]C[6,6]2H)(N[6]C[6]H)(H)	C[3x6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(H)	H(C[6,6]C[5a,6]C[3x6]N[6])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[3x6]C[6,6]2H)(N[6]C[6]H)(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5a,6]C[3x6]N[6])	109.2190	0.000	1	109.2190	0.000	1	109.2190	0.000	1	108.8673	0.536	7	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[3x6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)(N[6]C[6,6a]H)(H)	C[3x6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]O[6]H)(H)	H(C[6,6]C[6,6a]C[3x6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)(N[6]C[6,6a]H)(H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[3x6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]O[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[3x6]N[6])	109.0340	0.000	1	109.0340	0.000	1	109.0340	0.000	1	108.8673	0.536	7	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	3:4:3:1:	4:4:4:1:	4:	N[5a,6]-3:C[3x6]-4:N[6]-3:H-1:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[3x6]C[6]H)(N[6]C[6]C)(H)	C[3x6](C[6,6]N[5a,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]O[6]CH)(H)	H(C[6,6]N[5a,6]C[3x6]N[6])	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[3x6]C[6]H)(N[6]C[6]C)(H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[3x6](C[6,6]N[5a,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]O[6]CH)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]N[5a,6]C[3x6]N[6])	108.7700	0.000	1	108.7405	0.002	2	108.7405	0.002	2	108.8673	0.536	7	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	3:4:3:1:	4:4:4:1:	4:	N[5a,6]-3:C[3x6]-4:N[6]-3:H-1:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[3x6]C[6]H)(N[6]C[6]C)(H)	C[3x6](C[6,6]N[5a,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]O[6]CH)(H)	H(C[6,6]N[5a,6]C[3x6]N[6])	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[3x6]C[6]H)(N[6]C[6]C)(H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[3x6](C[6,6]N[5a,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]O[6]CH)(H){2|H<1>,3|C<3>,3|C<4>}	H(C[6,6]N[5a,6]C[3x6]N[6])	108.7110	0.000	1	108.7405	0.002	2	108.7405	0.002	2	108.8673	0.536	7	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	3:4:3:1:	4:4:4:4:	4:	N[6,6]-3:C[3x6]-4:B[5a]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(B[5a]O[5a]2)(H)	C[3x6](C[6,6]N[6,6]B[5a]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(CH3)	H(C[6,6]C[3x6]N[6,6]B[5a])	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(B[5a]O[5a]2)(H){3|H<1>,4|C<3>,4|C<4>}	C[3x6](C[6,6]N[6,6]B[5a]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(CH3){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[3x6]N[6,6]B[5a])	108.5330	0.212	2	108.5330	0.045	2	108.5330	0.045	2	108.1563	0.448	3	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	3:4:3:1:	4:4:4:4:	4:	N[6,6]-3:C[3x6]-4:B[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(B[6,6]C[6,6]2)(H)	C[3x6](C[6,6]B[6,6]N[6,6]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(CH3)	H(C[6,6]B[6,6]C[3x6]N[6,6])	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(B[6,6]C[6,6]2)(H){2|C<3>,5|H<1>,8|C<4>}	C[3x6](C[6,6]B[6,6]N[6,6]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]B[6,6]C[3x6]N[6,6])	107.4030	0.000	1	107.4030	0.000	1	107.4030	0.000	1	108.1563	0.448	3	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	3:4:4:1:	4:3:4:2:	4:	N[5a,6]-3:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-4:	C[6,6](N[5a,6]C[5,5a]C[5a,6])(C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)	C[3x6](C[6,6]N[5a,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	H(C[6,6]N[5a,6]C[3x6]C[6])	C[6,6](N[5a,6]C[5,5a]C[5a,6])(C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]N[5a,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,3|C<3>,9|H<1>}	H(C[6,6]N[5a,6]C[3x6]C[6])	107.7320	0.000	1	107.7320	0.000	1	107.7320	0.000	1	107.7320	0.000	1	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	3:4:4:1:	4:4:3:1:	4:	C[5a]-3:C[3x6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[5a]C[5a,6a]C[5a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]C[5a])	C[6,6](C[5a]C[5a,6a]C[5a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C[5a])	107.3410	0.000	1	107.3410	0.000	1	107.3410	0.000	1	107.3410	0.000	1	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	3:4:4:1:	4:4:3:2:	4:	C[6,6a]-3:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:C[3x6]-4:C[6]-3:O-2:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]O)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6,6a]C[6]H)(C[3x6]C[6]O[6]2)(C[6]C[6]H)(OH)	H(C[6,6]C[6,6a]C[3x6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]O)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|O<2>,4|C<3>}	C[3x6](C[6,6]C[6,6a]C[6]H)(C[3x6]C[6]O[6]2)(C[6]C[6]H)(OH){1|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6a]C[3x6]C[6])	109.7295	0.062	2	109.7295	0.004	2	109.7295	0.004	2	109.4500	0.236	3	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	3:4:4:1:	4:4:3:2:	4:	N[5,6,6]-3:C[3x6]-4:C[3]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[6,6]-4:	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[3]C[3]2H)(H)	C[3x6](C[6,6]N[5,6,6]C[3]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC)	H(C[6,6]N[5,6,6]C[3x6]C[3])	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[3]C[3]2H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,7|H<1>}	C[3x6](C[6,6]N[5,6,6]C[3]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC){1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]N[5,6,6]C[3x6]C[3])	108.8910	0.000	1	108.8910	0.000	1	108.8910	0.000	1	109.4500	0.236	3	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	3:4:4:1:	4:4:3:4:	4:	N[6,6]-3:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(CCHH)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]C)(CCHH)	H(C[6,6]C[3x6]N[6,6]C)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(CCHH)(H){2|H<1>,3|C<3>,3|C<4>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	H(C[6,6]C[3x6]N[6,6]C)	108.0030	0.000	1	108.0030	0.000	1	108.0030	0.000	1	108.0030	0.000	1	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	3:4:4:1:	4:4:4:1:	4:	C[5a,6]-3:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5a,6]N[5a,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6]O[6]HH)(H)	C[3x6](C[6,6]C[5a,6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5a,6]C[3x6]C[6])	C[6,6](C[5a,6]N[5a,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6]O[6]HH)(H){2|C<3>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[5a,6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|N<3>,6|H<1>}	H(C[6,6]C[5a,6]C[3x6]C[6])	110.2060	0.000	1	110.2060	0.000	1	110.2060	0.000	1	108.4303	1.862	6	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6]-3:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,4x6]O)(C[3x6]C[6,6]2H)(CH3)(H)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[6,6]C[5,4x6]O)(C[3x6]C[6,6]2H)(CH3)(H){3|C<4>,4|H<1>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.2930	0.262	2	107.2930	0.068	2	107.2930	0.068	2	108.4303	1.862	6	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HP)(H)	C[3x6](C[3x6]C[6]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6a]C[3x6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HP)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[6]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(H){1|P<4>,2|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6a]C[3x6]C[6])	110.1060	0.000	1	110.1060	0.000	1	110.1060	0.000	1	108.4303	1.862	6	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	3:4:4:1:	4:4:4:1:	4:	N[5,6]-3:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](N[5,6]C[5,6]N[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	C[3x6](C[6,6]N[5,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6]2H)(H)	H(C[6,6]C[3x6]N[5,6]C[6])	C[6,6](N[5,6]C[5,6]N[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[3x6](C[6,6]N[5,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6]2H)(H){1|N<3>,3|C<4>,7|H<1>}	H(C[6,6]C[3x6]N[5,6]C[6])	107.8420	0.000	2	107.8420	0.000	2	107.8420	0.000	2	108.4303	1.862	6	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:1:1:	3:4:4:3:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(O[6,6]C[3x6])(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)(C[6a]C[6a]2)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(O[6,6]C[3x6])(H)2{2|C<4>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)(C[6a]C[6a]2){1|C<4>,4|C<3>,5|H<1>}	H(C[6,6]C[3x6]O[6,6]H)	109.2275	0.028	2	109.2275	0.001	2	109.2275	0.001	2	109.2275	0.001	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:1:1:	4:3:4:1:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[5,3x6]H)(O[6,6]C[3x6])(H)2	C[3x6](C[5,3x6]C[5,3x6]C[6]O[5])(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]O[6,6]HH)(H)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[5,3x6]H)(O[6,6]C[3x6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[3x6](C[5,3x6]C[5,3x6]C[6]O[5])(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]O[6,6]HH)(H){2|C<3>,3|H<1>,5|C<4>}	H(C[6,6]C[3x6]O[6,6]H)	109.6560	0.010	2	109.6560	0.000	2	109.6560	0.000	2	109.6560	0.000	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:1:1:	4:4:2:1:	4:	C[3x6]-4:O[6,6]-2:F-1:H-1:	C[3,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]O[6,6]H)(O[6,6]C[3x6])(F)(H)	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]O[6,6]FH)(O[6,6]C[6,6])(H)	H(C[6,6]C[3x6]O[6,6]F)	C[6,6](C[3x6]C[3,6,6]O[6,6]H)(O[6,6]C[3x6])(F)(H){1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]O[6,6]FH)(O[6,6]C[6,6])(H){1|C<4>,3|H<1>}	H(C[6,6]C[3x6]O[6,6]F)	114.3930	0.978	3	114.3930	0.957	3	114.3930	0.957	3	110.7185	5.178	13	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:1:1:	4:4:2:1:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]O[6,6]H)(O[6,6]C[3x6])(H)2	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]O[6,6]HH)(O[6,6]C[6,6])(H)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[3,6,6]O[6,6]H)(O[6,6]C[3x6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]O[6,6]HH)(O[6,6]C[6,6])(H){1|C<4>,1|F<1>,2|H<1>}	H(C[6,6]C[3x6]O[6,6]H)	109.5242	1.218	6	109.5242	1.484	6	109.5242	1.484	6	110.7185	5.178	13	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:1:1:	4:4:2:1:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(O[6,6]C[5,3x6])(H)2	C[3x6](C[5,6,6]C[5,5,6,6]O[5]H)(C[6,6]O[6,6]HH)(O[6,6]C[5,6,6])(H)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(O[6,6]C[5,3x6])(H)2{1|H<1>,2|C<4>,2|O<2>}	C[3x6](C[5,6,6]C[5,5,6,6]O[5]H)(C[6,6]O[6,6]HH)(O[6,6]C[5,6,6])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6,6]C[3x6]O[6,6]H)	109.7955	0.120	2	109.7955	0.014	2	109.7955	0.014	2	110.7185	5.178	13	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:1:1:	4:4:2:1:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(O[6,6]C[3x6])(H)2	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]HH)(O[6,6]C[6,6])(H)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(O[6,6]C[3x6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]HH)(O[6,6]C[6,6])(H){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	H(C[6,6]C[3x6]O[6,6]H)	109.7130	0.017	2	109.7130	0.000	2	109.7130	0.000	2	110.7185	5.178	13	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:1:1:	4:4:2:4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(O[6,6]C[3x6])(H)2	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]HH)(O[6,6]C[6,6])(CHHO)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(O[6,6]C[3x6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]HH)(O[6,6]C[6,6])(CHHO){1|C<4>,1|N<3>,3|H<1>}	H(C[6,6]C[3x6]O[6,6]H)	111.8753	0.610	12	111.8753	0.373	12	111.8753	0.373	12	111.8753	0.373	12	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:1:1:	4:4:3:1:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]O[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(H)2{1|H<1>,2|C<4>,3|C<3>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]O[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6,6]C[3x6]O[6,6]H)	109.7525	0.025	2	109.7525	0.001	2	109.7525	0.001	2	109.7525	0.001	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:1:1:	4:4:4:1:	4:	C[3x6]-4:O[6,6]-2:F-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(O[6,6]C[3x6])(F)(H)	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]O[6,6]FH)(C[6,6]O[6,6]HH)(H)	H(C[6,6]C[3x6]O[6,6]F)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(O[6,6]C[3x6])(F)(H){1|C<4>,2|O<2>,4|H<1>}	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]O[6,6]FH)(C[6,6]O[6,6]HH)(H){1|C<4>,1|H<1>}	H(C[6,6]C[3x6]O[6,6]F)	115.2410	0.000	1	115.2410	0.000	1	115.2410	0.000	1	109.5192	10.172	13	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:1:1:	4:4:4:1:	4:	C[3x6]-4:O[6,6]-2:F-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(F)(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]O[6,6]FH)(C[6,6]O[6,6]HH)(H)	H(C[6,6]C[3x6]O[6,6]F)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(F)(H){1|C<4>,2|O<2>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]O[6,6]FH)(C[6,6]O[6,6]HH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6,6]C[3x6]O[6,6]F)	108.0203	2.886	3	108.0203	8.329	3	108.0203	8.329	3	109.5192	10.172	13	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:1:1:	4:4:4:1:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(O[6,6]C[3x6])(H)2	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]O[6,6]FH)(C[6,6]O[6,6]HH)(H)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(O[6,6]C[3x6])(H)2{1|C<4>,1|F<1>,2|O<2>,3|H<1>}	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]O[6,6]FH)(C[6,6]O[6,6]HH)(H){1|C<4>,1|H<1>}	H(C[6,6]C[3x6]O[6,6]H)	111.7565	3.061	2	111.7565	9.370	2	111.7565	9.370	2	109.5192	10.172	13	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:1:1:	4:4:4:1:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[4,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4,3x6]C[6]H)(O[6,6]C[4,5,6,6])(H)2	C[3x6](C[4,3x6]C[4,5,6]C[4,6,6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[4,3x6]C[6]H)(O[6,6]C[4,5,6,6])(H)2{3|H<1>,4|C<4>}	C[3x6](C[4,3x6]C[4,5,6]C[4,6,6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]O[6,6]H)	110.8425	0.029	2	110.8425	0.001	2	110.8425	0.001	2	109.5192	10.172	13	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:1:1:	4:4:4:1:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(H)2	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]O[6,6]FH)(C[6,6]O[6,6]HH)(H)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(H)2{1|C<4>,1|F<1>,2|O<2>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]O[6,6]FH)(C[6,6]O[6,6]HH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6,6]C[3x6]O[6,6]H)	107.8500	2.698	5	107.8500	7.278	5	107.8500	7.278	5	109.5192	10.172	13	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:1:1:	4:4:4:3:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[3x6])(H)2	C[3x6](C[6,6]C[3,6,6]CH)(C[6,6]N[6,6]CH)(C[6,6]O[6,6]HH)(COO)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[3x6])(H)2{1|N<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[3,6,6]CH)(C[6,6]N[6,6]CH)(C[6,6]O[6,6]HH)(COO){1|O<2>,3|C<4>}	H(C[6,6]C[3x6]O[6,6]H)	109.6338	0.022	4	109.6338	0.000	4	109.6846	0.010	21	109.6846	0.010	21	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:1:1:	4:4:4:3:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	C[3x6](C[6,6]O[6,6]HH)3(CNO)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{1|O<1>,2|O<2>,4|H<1>}	C[3x6](C[6,6]O[6,6]HH)3(CNO){1|P<4>}	H(C[6,6]C[3x6]O[6,6]H)	109.7252	0.117	12	109.7252	0.014	12	109.6846	0.010	21	109.6846	0.010	21	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:1:1:	4:4:4:3:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	C[3x6](C[6,6]O[6,6]HH)3(COO)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{1|O<1>,2|O<2>,4|H<1>}	C[3x6](C[6,6]O[6,6]HH)3(COO){1|P<4>}	H(C[6,6]C[3x6]O[6,6]H)	109.6278	0.041	5	109.6278	0.002	5	109.6846	0.010	21	109.6846	0.010	21	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:1:1:	4:4:4:4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]C)(O[6,6]C[3x6])(H)2	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)(CH3)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(O[6,6]C[3x6])(H)2{1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[3x6]O[6,6]H)	109.2700	0.070	4	109.2700	0.005	4	109.2700	0.005	4	109.5737	0.499	137	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:1:1:	4:4:4:4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]As[3x6])(H)2	C[3x6](C[6,6]O[6,6]HH)3(CCHH)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]As[3x6])(H)2{2|O<2>,4|H<1>}	C[3x6](C[6,6]O[6,6]HH)3(CCHH){1|As<3>}	H(C[6,6]C[3x6]O[6,6]H)	109.1294	0.047	10	109.1294	0.002	10	109.5828	0.511	133	109.5737	0.499	137	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:1:1:	4:4:4:4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]As[3x6])(H)2	C[3x6](C[6,6]O[6,6]HH)3(CH3)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]As[3x6])(H)2{2|O<2>,4|H<1>}	C[3x6](C[6,6]O[6,6]HH)3(CH3){1|As<3>}	H(C[6,6]C[3x6]O[6,6]H)	109.0262	0.070	5	109.0262	0.005	5	109.5828	0.511	133	109.5737	0.499	137	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:1:1:	4:4:4:4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[3x6])(H)2	C[3x6](C[6,6]O[6,6]HH)3(CH3)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[3x6])(H)2{1|C<4>,2|O<2>,4|H<1>}	C[3x6](C[6,6]O[6,6]HH)3(CH3){1|C<4>}	H(C[6,6]C[3x6]O[6,6]H)	110.1892	0.566	12	110.1892	0.320	12	109.5828	0.511	133	109.5737	0.499	137	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:1:1:	4:4:4:4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[4x6])(H)2	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(C[6,6]O[6,6]HH)(CH3)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[4x6])(H)2{2|H<1>,2|O<2>,3|C<4>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(C[6,6]O[6,6]HH)(CH3){1|H<1>,4|C<4>}	H(C[6,6]C[3x6]O[6,6]H)	109.4330	0.040	2	109.4330	0.002	2	109.5828	0.511	133	109.5737	0.499	137	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:1:1:	4:4:4:4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	C[3x6](C[6,6]O[6,6]HH)3(CCHH)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{1|Fe<8>,2|O<2>,4|H<1>}	C[3x6](C[6,6]O[6,6]HH)3(CCHH){1|P<4>}	H(C[6,6]C[3x6]O[6,6]H)	109.5002	0.107	11	109.4845	0.013	56	109.5828	0.511	133	109.5737	0.499	137	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:1:1:	4:4:4:4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	C[3x6](C[6,6]O[6,6]HH)3(CCHH)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{1|Mo<6>,2|O<2>,4|H<1>}	C[3x6](C[6,6]O[6,6]HH)3(CCHH){1|P<4>}	H(C[6,6]C[3x6]O[6,6]H)	109.5246	0.088	16	109.4845	0.013	56	109.5828	0.511	133	109.5737	0.499	137	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:1:1:	4:4:4:4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	C[3x6](C[6,6]O[6,6]HH)3(CCHH)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{1|Ru<6>,2|O<2>,4|H<1>}	C[3x6](C[6,6]O[6,6]HH)3(CCHH){1|P<4>}	H(C[6,6]C[3x6]O[6,6]H)	109.4292	0.130	13	109.4845	0.013	56	109.5828	0.511	133	109.5737	0.499	137	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:1:1:	4:4:4:4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	C[3x6](C[6,6]O[6,6]HH)3(CCHH)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{1|Ru<9>,2|O<2>,4|H<1>}	C[3x6](C[6,6]O[6,6]HH)3(CCHH){1|P<4>}	H(C[6,6]C[3x6]O[6,6]H)	109.4463	0.116	10	109.4845	0.013	56	109.5828	0.511	133	109.5737	0.499	137	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:1:1:	4:4:4:4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	C[3x6](C[6,6]O[6,6]HH)3(CCHH)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{1|W<7>,2|O<2>,4|H<1>}	C[3x6](C[6,6]O[6,6]HH)3(CCHH){1|P<4>}	H(C[6,6]C[3x6]O[6,6]H)	109.5328	0.106	6	109.4845	0.013	56	109.5828	0.511	133	109.5737	0.499	137	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:1:1:	4:4:4:4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	C[3x6](C[6,6]O[6,6]HH)3(CH3)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{1|Fe<8>,2|O<2>,4|H<1>}	C[3x6](C[6,6]O[6,6]HH)3(CH3){1|P<4>}	H(C[6,6]C[3x6]O[6,6]H)	109.4536	0.094	10	109.4830	0.006	21	109.5828	0.511	133	109.5737	0.499	137	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:1:1:	4:4:4:4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	C[3x6](C[6,6]O[6,6]HH)3(CH3)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{1|Rh<4>,2|O<2>,4|H<1>}	C[3x6](C[6,6]O[6,6]HH)3(CH3){1|P<4>}	H(C[6,6]C[3x6]O[6,6]H)	109.5228	0.056	5	109.4830	0.006	21	109.5828	0.511	133	109.5737	0.499	137	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:1:1:	4:4:4:4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	C[3x6](C[6,6]O[6,6]HH)3(CH3)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{2|O<2>,4|H<1>}	C[3x6](C[6,6]O[6,6]HH)3(CH3){1|P<3>}	H(C[6,6]C[3x6]O[6,6]H)	109.4988	0.037	6	109.4830	0.006	21	109.5828	0.511	133	109.5737	0.499	137	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:1:1:	4:4:4:4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	C[3x6](C[6,6]O[6,6]HH)3(CHHO)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{1|O<1>,2|O<2>,4|H<1>}	C[3x6](C[6,6]O[6,6]HH)3(CHHO){1|P<4>}	H(C[6,6]C[3x6]O[6,6]H)	109.6909	0.112	16	109.8768	1.998	27	109.5828	0.511	133	109.5737	0.499	137	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:1:1:	4:4:4:4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	C[3x6](C[6,6]O[6,6]HH)3(CHHO)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{1|S<1>,2|O<2>,4|H<1>}	C[3x6](C[6,6]O[6,6]HH)3(CHHO){1|P<4>}	H(C[6,6]C[3x6]O[6,6]H)	109.5508	0.154	5	109.8768	1.998	27	109.5828	0.511	133	109.5737	0.499	137	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:1:1:	4:4:4:4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	C[3x6](C[6,6]O[6,6]HH)3(CHHO)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{2|O<2>,4|H<1>}	C[3x6](C[6,6]O[6,6]HH)3(CHHO){1|P<3>}	H(C[6,6]C[3x6]O[6,6]H)	110.6440	3.068	6	109.8768	1.998	27	109.5828	0.511	133	109.5737	0.499	137	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:2:1:	4:4:2:1:	4:	C[3x6]-4:O[6,6]-2:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(O[6,6]C[3x6])(OC)(H)	C[3x6](C[6,6]C[6,6]HS)(C[6,6]O[6,6]HO)(O[6,6]C[6,6])(H)	H(C[6,6]C[3x6]O[6,6]O)	C[6,6](C[3x6]C[6,6]O[6,6]H)(O[6,6]C[3x6])(OC)(H){1|S<4>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]HS)(C[6,6]O[6,6]HO)(O[6,6]C[6,6])(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6,6]C[3x6]O[6,6]O)	109.5000	0.000	1	109.5000	0.000	1	109.5000	0.000	1	109.0835	0.347	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:2:1:	4:4:2:1:	4:	C[3x6]-4:O[6,6]-2:S-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(O[6,6]C[3x6])(SC[6a])(H)	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]HS)(O[6,6]C[6,6])(H)	H(C[6,6]C[3x6]O[6,6]S)	C[6,6](C[3x6]C[6,6]O[6,6]H)(O[6,6]C[3x6])(SC[6a])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]HS)(O[6,6]C[6,6])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6,6]C[3x6]O[6,6]S)	108.6670	0.000	1	108.6670	0.000	1	108.6670	0.000	1	109.0835	0.347	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:2:1:	4:4:3:4:	4:	C[3x6]-4:O[6,6]-2:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[3x6])(OC)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]O[6,6]HO)(C[6,6]C[6,6]H)(CCHH)	H(C[6,6]C[3x6]O[6,6]O)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[3x6])(OC)(H){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]O[6,6]HO)(C[6,6]C[6,6]H)(CCHH){1|C<4>,3|H<1>}	H(C[6,6]C[3x6]O[6,6]O)	108.4880	0.000	1	108.4880	0.000	1	108.4880	0.000	1	108.4880	0.000	1	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:2:1:	4:4:4:2:	4:	C[3x6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H)	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]C[6]CH)(O[6]O[6])	H(C[6,6]C[3x6]O[6]2)	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]C[6]CH)(O[6]O[6]){1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]O[6]2)	107.8870	0.000	1	108.3045	0.833	13	108.1653	0.787	16	108.1653	0.787	16	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:2:1:	4:4:4:2:	4:	C[3x6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H)	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]C[6]CH)(O[6]O[6])	H(C[6,6]C[3x6]O[6]2)	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H){1|N<2>,1|O<2>,3|H<1>,6|C<4>}	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]C[6]CH)(O[6]O[6]){4|H<1>,5|C<4>}	H(C[6,6]C[3x6]O[6]2)	108.5760	0.000	1	108.3045	0.833	13	108.1653	0.787	16	108.1653	0.787	16	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:2:1:	4:4:4:2:	4:	C[3x6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H)	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]C[6]CH)(O[6]O[6])	H(C[6,6]C[3x6]O[6]2)	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H){1|O<1>,1|O<2>,2|H<1>,6|C<4>}	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]C[6]CH)(O[6]O[6]){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[3x6]O[6]2)	107.3922	0.251	4	108.3045	0.833	13	108.1653	0.787	16	108.1653	0.787	16	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:2:1:	4:4:4:2:	4:	C[3x6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H)	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]C[6]CH)(O[6]O[6])	H(C[6,6]C[3x6]O[6]2)	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H){2|O<2>,3|H<1>,6|C<4>}	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]C[6]CH)(O[6]O[6]){4|H<1>,5|C<4>}	H(C[6,6]C[3x6]O[6]2)	108.8466	0.834	7	108.3045	0.833	13	108.1653	0.787	16	108.1653	0.787	16	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:2:1:	4:4:4:2:	4:	C[3x6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H)	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]N[6]CH)(O[6]O[6])	H(C[6,6]C[3x6]O[6]2)	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]N[6]CH)(O[6]O[6]){1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]O[6]2)	107.2825	0.016	2	107.5623	0.235	3	108.1653	0.787	16	108.1653	0.787	16	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:2:1:	4:4:4:2:	4:	C[3x6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H)	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]N[6]CH)(O[6]O[6])	H(C[6,6]C[3x6]O[6]2)	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]N[6]CH)(O[6]O[6]){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]O[6]2)	108.1220	0.000	1	107.5623	0.235	3	108.1653	0.787	16	108.1653	0.787	16	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:2:1:	4:4:4:4:	4:	C[3x6]-4:O[6,6]-2:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]2C)(O[6,6]C[3x6])(OC)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]O[6,6]HO)(CH3)	H(C[6,6]C[3x6]O[6,6]O)	C[6,6](C[3x6]C[5,6,6]2C)(O[6,6]C[3x6])(OC)(H){1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]O[6,6]HO)(CH3){1|O<2>,2|O<1>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]O[6,6]O)	109.3200	0.000	1	109.3200	0.000	1	109.3200	0.000	1	109.3200	0.000	1	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:3:1:	4:4:2:1:	4:	C[3x6]-4:O[6,6]-2:N[6a]-3:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(O[6,6]C[3x6])(N[6a]C[6a]2)(H)	C[3x6](C[6,6]O[6,6]N[6a]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	H(C[6,6]C[3x6]O[6,6]N[6a])	C[6,6](C[3x6]C[6,6]O[6,6]H)(O[6,6]C[3x6])(N[6a]C[6a]2)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[3x6](C[6,6]O[6,6]N[6a]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]O[6,6]N[6a])	109.4810	0.466	6	109.4810	0.217	6	109.4810	0.217	6	109.4810	0.217	6	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:4:1:	3:4:4:1:	4:	C[3x6]-4:O[6,6]-2:C-4:H-1:	C[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(O[6,6]C[4x6])(CH3)(H)	C[3x6](C[3x6]C[4x6]C[6])(C[6,6]C[4x6]HO)(C[6,6]O[6,6]CH)(H)	H(C[6,6]C[3x6]O[6,6]C)	C[6,6](C[3x6]C[3x6]C[6,6]H)(O[6,6]C[4x6])(CH3)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[3x6]C[4x6]C[6])(C[6,6]C[4x6]HO)(C[6,6]O[6,6]CH)(H){1|H<1>,2|C<3>,4|C<4>}	H(C[6,6]C[3x6]O[6,6]C)	108.0500	0.000	1	108.0500	0.000	1	108.0500	0.000	1	108.0500	0.000	1	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:4:1:	4:4:4:1:	4:	C[3x6]-4:O[6,6]-2:C-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(O[6,6]C[4x6])(CH3)(H)	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[4x6]HO)(C[6,6]O[6,6]CH)(H)	H(C[6,6]C[3x6]O[6,6]C)	C[6,6](C[3x6]C[3x6]C[6,6]H)(O[6,6]C[4x6])(CH3)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[4x6]HO)(C[6,6]O[6,6]CH)(H){1|H<1>,2|C<3>,4|C<4>}	H(C[6,6]C[3x6]O[6,6]C)	107.4420	0.000	1	107.4420	0.000	1	107.4420	0.000	1	108.3795	0.448	4	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:4:1:	4:4:4:1:	4:	C[3x6]-4:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(O[6]C[5a,6])(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[5a,6]C[6,6a]C)(C[6,6]C[6]O[6]H)2(H)	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6]2H)(O[6]C[5a,6])(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[5a,6]C[6,6a]C)(C[6,6]C[6]O[6]H)2(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6]O[6])	108.9710	0.000	1	108.9710	0.000	1	108.6920	0.087	3	108.3795	0.448	4	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:4:1:	4:4:4:1:	4:	C[3x6]-4:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[5a,6]C[6,6a]C)(C[6,6]C[6]O[6]H)2(H)	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[6,6]C[5a,6]C[6,6a]C)(C[6,6]C[6]O[6]H)2(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6]O[6])	108.7210	0.000	1	108.7210	0.000	1	108.6920	0.087	3	108.3795	0.448	4	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:2:4:1:	4:4:4:1:	4:	C[3x6]-4:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(O[6]C[6,6a])(C[6]C[6]HO)(H)	C[3x6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]O[6]H)(H)	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6]2H)(O[6]C[6,6a])(C[6]C[6]HO)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[3x6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]O[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6]O[6])	108.3840	0.000	1	108.3840	0.000	1	108.6920	0.087	3	108.3795	0.448	4	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	3:4:3:1:	4:	C[3x6]-4:C[5,6,6]-3:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]C[5])(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]C[5])(H)2{1|C<4>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[5,6,6]C[3x6]H)	110.5902	0.662	4	110.5902	0.438	4	110.5902	0.438	4	110.5902	0.438	4	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	3:4:3:4:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(N[6,6]C[6,6a]C[6])(H)2	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6,6]C[6]N[6])(C[6]C[6,6a]HH)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(N[6,6]C[6,6a]C[6])(H)2{1|N<2>,4|H<1>,5|C<3>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6,6]C[6]N[6])(C[6]C[6,6a]HH){1|C<4>,2|H<1>,5|C<3>}	H(C[6,6]C[3x6]N[6,6]H)	110.2045	0.339	2	110.2045	0.115	2	110.2045	0.115	2	110.2045	0.115	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(H)2	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	111.3653	1.733	3	111.3653	3.003	3	110.5056	0.503	19	110.4816	0.459	21	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(H)2	C[3x6](N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[3x6](N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.3444	0.168	16	110.3444	0.028	16	110.5056	0.503	19	110.4816	0.459	21	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	3:4:4:1:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(N[6,6]C[3x6]S)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(H)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(N[6,6]C[3x6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]N[6,6]H)	110.2535	0.021	2	110.2535	0.000	2	110.2535	0.000	2	110.4816	0.459	21	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	3:4:4:4:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-3:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]C)(N[6,6]Nb[3x6]S)(H)2	C[3x6](C[3x6]N[3x6]C[6])(C[6,6]N[6,6]HH)2(CH3)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(N[6,6]Nb[3x6]S)(H)2{1|C<3>,1|N<2>,1|O<2>,2|H<1>,2|N<3>}	C[3x6](C[3x6]N[3x6]C[6])(C[6,6]N[6,6]HH)2(CH3){1|Nb<5>,1|Si<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6,6]C[3x6]N[6,6]H)	106.8690	0.202	2	106.8690	0.041	2	107.0021	0.101	8	107.0021	0.101	8	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	3:4:4:4:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-3:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]C)(N[6,6]Nb[3x6]Si)(H)2	C[3x6](C[3x6]N[3x6]C[6])(C[6,6]N[6,6]HH)2(CH3)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(N[6,6]Nb[3x6]Si)(H)2{1|C<3>,1|N<2>,1|O<2>,2|H<1>,2|N<3>}	C[3x6](C[3x6]N[3x6]C[6])(C[6,6]N[6,6]HH)2(CH3){1|Nb<5>,1|Si<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6,6]C[3x6]N[6,6]H)	106.6745	0.021	2	107.0465	0.124	6	107.0021	0.101	8	107.0021	0.101	8	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	3:4:4:4:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-3:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]C)(N[6,6]Nb[3x6]Si)(H)2	C[3x6](C[3x6]N[3x6]C[6])(C[6,6]N[6,6]HH)2(CH3)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(N[6,6]Nb[3x6]Si)(H)2{1|Cl<1>,1|C<3>,1|N<2>,2|H<1>,3|N<3>}	C[3x6](C[3x6]N[3x6]C[6])(C[6,6]N[6,6]HH)2(CH3){1|Nb<6>,2|Si<4>,1|H<1>,2|C<3>}	H(C[6,6]C[3x6]N[6,6]H)	107.2325	0.262	4	107.0465	0.124	6	107.0021	0.101	8	107.0021	0.101	8	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:2:2:4:	4:	C[3x6]-4:C[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-2:C[6,6]-2:P-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2P)(C[3x6]C[6,6]2)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6])2(PPdCC)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2P)(C[3x6]C[6,6]2)(H)2{2|C<3>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6])2(PPdCC){3|C<2>}	H(C[6,6]C[3x6]2H)	110.1750	2.799	2	110.1750	7.833	2	110.1750	7.833	2	110.1750	7.833	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:3:4:4:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[3x6]-3:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]C)(N[6,6]Nb[3,3,3x6]Si)(H)2	C[3x6](C[6,6]N[3,6,6]HH)(C[3x6]N[3x6]C[6])(C[6,6]N[6,6]HH)(CH3)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(N[6,6]Nb[3,3,3x6]Si)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,2|H<1>,3|N<3>}	C[3x6](C[6,6]N[3,6,6]HH)(C[3x6]N[3x6]C[6])(C[6,6]N[6,6]HH)(CH3){1|Nb<7>,1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[6,6]C[3x6]N[6,6]H)	107.3785	0.136	8	107.3785	0.018	8	107.3785	0.018	8	107.3785	0.018	8	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]O)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5]O)(C[6,6]C[6,6]HH)(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]O)(H)2{1|O<2>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]O)(C[6,6]C[6,6]HH)(O[6,6]C[3x6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8585	0.022	2	109.9177	0.005	4	109.9177	0.005	4	110.0970	0.099	8	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]O)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5]O)(C[6,6]C[6,6]HH)(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]O)(H)2{1|O<2>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]O)(C[6,6]C[6,6]HH)(O[6,6]C[3x6])(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9770	0.014	2	109.9177	0.005	4	109.9177	0.005	4	110.0970	0.099	8	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]O)(H)2	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]O)(H)2{5|C<4>}	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9515	0.026	2	109.9515	0.001	2	109.9515	0.001	2	110.0970	0.099	8	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:2:1:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(N[6,6]C[3x6]C)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(O[6,6]C[6,6])(H)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(N[6,6]C[3x6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(O[6,6]C[6,6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6,6]C[3x6]N[6,6]H)	110.6010	0.017	2	110.6010	0.000	2	110.6010	0.000	2	110.0970	0.099	8	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2{1|C<3>,1|N<3>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9557	0.021	4	109.9557	0.000	4	110.0785	0.434	19	110.1859	0.276	33	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(H){1|C<4>,1|O<1>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8555	0.136	4	110.3131	0.713	10	110.0785	0.434	19	110.1859	0.276	33	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	111.8940	0.226	2	110.3131	0.713	10	110.0785	0.434	19	110.1859	0.276	33	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(H){1|C<4>,1|O<1>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9802	0.097	4	110.3131	0.713	10	110.0785	0.434	19	110.1859	0.276	33	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8685	0.033	2	109.7350	0.027	4	110.0785	0.434	19	110.1859	0.276	33	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6015	0.087	2	109.7350	0.027	4	110.0785	0.434	19	110.1859	0.276	33	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(H)2	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5980	0.000	1	109.5980	0.000	1	110.0785	0.434	19	110.1859	0.276	33	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:3:1:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6,6]C[3x6]N[6,6]H)	110.4275	0.047	2	110.4275	0.002	2	110.3390	0.047	10	110.1859	0.276	33	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:3:1:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6,6]C[3x6]N[6,6]H)	110.4135	0.006	2	110.4135	0.000	2	110.3390	0.047	10	110.1859	0.276	33	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:3:1:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,4|C<4>}	H(C[6,6]C[3x6]N[6,6]H)	109.9500	0.031	2	110.2847	0.075	6	110.3390	0.047	10	110.1859	0.276	33	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:3:1:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{2|C<3>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6,6]C[3x6]N[6,6]H)	110.4520	0.110	4	110.2847	0.075	6	110.3390	0.047	10	110.1859	0.276	33	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:3:1:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(N[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6,6]C[3x6]N[6,6]H)	110.4555	0.012	2	110.4555	0.000	2	110.3132	0.027	4	110.1859	0.276	33	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:3:1:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(H)2	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]N[6,6]HH)(N[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]N[6,6]HH)(N[6,6]C[6,6]C)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]N[6,6]H)	110.1710	0.033	2	110.1710	0.001	2	110.3132	0.027	4	110.1859	0.276	33	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:3:2:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]O)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]O)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.5335	1.322	2	110.5335	1.747	2	110.5335	1.747	2	110.1817	1.245	3	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:3:2:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]O)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(OC)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]O)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(OC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4780	0.000	1	109.4780	0.000	1	109.4780	0.000	1	110.1817	1.245	3	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:3:4:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O)(H)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.1260	0.055	2	109.1260	0.003	2	109.1260	0.003	2	109.6908	0.427	4	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:3:4:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(CH3)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(C[6,6]C[3x6]N[6,6]H)	110.2555	0.032	2	110.2555	0.001	2	110.2555	0.001	2	109.6908	0.427	4	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2)(H)2{1|C<3>,1|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<4>,1|N<3>,2|C<3>}	H(C[6,6]C[3x6]2H)	109.4795	4.668	4	110.6117	5.049	28	110.6117	5.049	28	110.1728	2.448	77	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	110.8004	1.681	24	110.6117	5.049	28	110.6117	5.049	28	110.1728	2.448	77	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(H)2	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(H)2{3|H<1>,4|C<4>}	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]HH)2(H){1|N<3>,1|O<1>,3|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	111.4090	3.030	4	111.4090	9.181	4	111.4090	9.181	4	110.1728	2.448	77	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H)2	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.8665	0.069	4	109.8665	0.005	4	109.8416	0.007	5	110.1728	2.448	77	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]N)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]N)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7420	0.000	1	109.7420	0.000	1	109.8416	0.007	5	110.1728	2.448	77	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H)2{1|C<4>,1|N<3>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){2|C<4>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.7895	0.022	2	109.7895	0.000	2	109.7477	0.049	11	110.1728	2.448	77	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2{3|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,1|O<1>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8245	0.011	2	109.8245	0.000	2	109.7477	0.049	11	110.1728	2.448	77	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9255	0.026	2	109.9255	0.001	2	109.7477	0.049	11	110.1728	2.448	77	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4415	0.028	2	109.5030	0.006	4	109.7477	0.049	11	110.1728	2.448	77	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5645	0.054	2	109.5030	0.006	4	109.7477	0.049	11	110.1728	2.448	77	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]O)(H)2	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]O)(H)2{3|C<4>,4|H<1>}	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]HH)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	110.1340	0.000	1	110.1340	0.000	1	109.7477	0.049	11	110.1728	2.448	77	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:4:1:	4:	C[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(H)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{1|O<1>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[6,6]C[3x6]N[3x6]H)	109.2845	0.035	2	109.3762	0.200	4	109.3762	0.200	4	110.1728	2.448	77	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:4:1:	4:	C[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(H)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]N[3x6]H)	109.4680	0.751	2	109.3762	0.200	4	109.3762	0.200	4	110.1728	2.448	77	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:4:1:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{1|C<3>,1|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){2|C<4>,3|C<3>}	H(C[6,6]C[3x6]N[6,6]H)	109.8795	0.063	2	109.8643	0.087	25	109.8643	0.087	25	110.1728	2.448	77	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:4:1:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]N[6,6]H)	109.4750	0.045	2	109.8643	0.087	25	109.8643	0.087	25	110.1728	2.448	77	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:4:1:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]N[6,6]H)	109.7747	0.019	3	109.8643	0.087	25	109.8643	0.087	25	110.1728	2.448	77	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:4:1:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[3x6]N[6,6]H)	110.3845	0.013	2	109.8643	0.087	25	109.8643	0.087	25	110.1728	2.448	77	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:4:1:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){1|C<3>,1|H<1>,4|C<4>}	H(C[6,6]C[3x6]N[6,6]H)	109.6040	0.033	2	109.8643	0.087	25	109.8643	0.087	25	110.1728	2.448	77	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:4:1:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]N[6,6]H)	109.7196	0.268	7	109.8643	0.087	25	109.8643	0.087	25	110.1728	2.448	77	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:4:1:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[3x6]N[6,6]H)	110.1598	0.040	4	109.8643	0.087	25	109.8643	0.087	25	110.1728	2.448	77	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:4:1:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]N[6,6]H)	109.9737	0.245	3	109.8643	0.087	25	109.8643	0.087	25	110.1728	2.448	77	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:4:3:	4:	C[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(NOO)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(NOO){2|N<3>,3|C<4>}	H(C[6,6]C[3x6]N[3x6]H)	109.6248	2.820	6	109.6248	7.953	6	109.5576	3.082	14	109.5576	3.082	14	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:4:3:	4:	C[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2	C[3x6](C[6,6]N[3x6]HH)3(NAgC)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[3x6](C[6,6]N[3x6]HH)3(NAgC){3|C<4>}	H(C[6,6]C[3x6]N[3x6]H)	109.6597	0.264	3	109.6597	0.070	3	109.5576	3.082	14	109.5576	3.082	14	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:4:3:	4:	C[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2	C[3x6](C[6,6]N[3x6]HH)3(NHH)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[3x6](C[6,6]N[3x6]HH)3(NHH){3|C<4>}	H(C[6,6]C[3x6]N[3x6]H)	109.4158	0.037	5	109.4158	0.001	5	109.5576	3.082	14	109.5576	3.082	14	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]2C)(C[6,6]C[3x6]O)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]HH)(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]2C)(C[6,6]C[3x6]O)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]HH)(CH3){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	112.2020	0.942	2	112.2020	0.887	2	112.2020	0.887	2	109.4109	0.416	69	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6540	0.038	2	109.6540	0.001	2	109.4436	0.018	10	109.4109	0.416	69	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O)(H)2	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)2(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O)(H)2{2|C<2>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)2(CH3){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.3910	0.086	8	109.3910	0.007	8	109.4436	0.018	10	109.4109	0.416	69	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:4:4:	4:	C[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C[3x6](C[6,6]C[3x6]HO)2(C[6,6]N[3x6]HH)(CCHH)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{2|C<4>,2|O<2>,6|H<1>}	C[3x6](C[6,6]C[3x6]HO)2(C[6,6]N[3x6]HH)(CCHH){5|C<4>}	H(C[6,6]C[3x6]N[3x6]H)	109.1794	0.903	12	109.1794	0.816	12	109.3370	0.280	35	109.4109	0.416	69	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:4:4:	4:	C[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C[3x6](C[6,6]N[3x6]HH)3(CH3)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,2|C<3>,6|H<1>}	C[3x6](C[6,6]N[3x6]HH)3(CH3){1|H<1>,3|C<4>}	H(C[6,6]C[3x6]N[3x6]H)	109.4640	0.046	4	109.4640	0.002	4	109.3370	0.280	35	109.4109	0.416	69	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:4:4:	4:	C[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C[3x6](C[6,6]N[3x6]HH)3(CHHO)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{2|C<3>,2|N<3>,6|H<1>}	C[3x6](C[6,6]N[3x6]HH)3(CHHO){3|C<4>}	H(C[6,6]C[3x6]N[3x6]H)	109.4098	0.062	19	109.4098	0.004	19	109.3370	0.280	35	109.4109	0.416	69	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:4:4:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(N[6,6]P[3x6]C)(H)2	C[3x6](C[6,6]N[6,6]HH)3(CH3)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(N[6,6]P[3x6]C)(H)2{1|N<2>,2|N<3>,4|H<1>}	C[3x6](C[6,6]N[6,6]HH)3(CH3){1|P<4>,3|C<4>}	H(C[6,6]C[3x6]N[6,6]H)	109.2599	0.261	22	109.2599	0.068	22	109.2599	0.068	22	109.4109	0.416	69	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:1:1:	6:4:3:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[5x3,5x5,22x6]-6:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]O)(H)2	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]O)(H)2{1|C<3>,1|C<6>,2|H<1>,4|B<6>}	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,5|B<6>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0362	0.353	4	110.0362	0.125	4	110.0362	0.125	4	110.0362	0.125	4	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:2:1:	4:3:3:1:	4:	C[3x6]-4:C[6,6]-3:C-2:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]H)(CC)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]H)(CC)(H){1|C<3>,1|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H){1|C<4>,1|N<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	106.4370	0.000	1	106.4370	0.000	1	106.4370	0.000	1	106.4370	0.000	1	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:2:1:	4:4:3:4:	4:	C[3x6]-4:C[6,6]-3:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OC)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OC)(H){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	109.4845	0.452	2	109.4845	0.204	2	109.1838	0.404	4	109.1838	0.404	4	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:2:1:	4:4:3:4:	4:	C[3x6]-4:C[6,6]-3:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	109.4520	0.000	1	109.4520	0.000	1	109.1838	0.404	4	109.1838	0.404	4	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:2:1:	4:4:3:4:	4:	C[3x6]-4:C[6,6]-3:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OSi)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OSi)(H){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	108.3140	0.000	1	108.3140	0.000	1	109.1838	0.404	4	109.1838	0.404	4	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:2:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(OH)(H)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HO)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(OH)(H){2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HO)(H){1|C<3>,1|N<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	108.0475	1.048	6	108.0475	1.099	6	108.0475	1.099	6	108.0475	1.099	6	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:2:1:	4:4:4:2:	4:	C[3x6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(N[6]C[6]H)(O[6]C[6])(H)	C[3x6](C[6,6]N[6]O[6]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(O[6]O[6])	H(C[6,6]C[3x6]N[6]O[6])	C[6,6](C[3x6]C[6,6]C[6]O[6])(N[6]C[6]H)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,6|C<4>}	C[3x6](C[6,6]N[6]O[6]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(O[6]O[6]){1|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[3x6]N[6]O[6])	107.3898	0.178	16	107.3898	0.032	16	107.3898	0.032	16	107.3898	0.032	16	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-3:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(COO)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(COO)(H){1|C<3>,1|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.2165	0.110	2	108.2165	0.012	2	108.2165	0.012	2	107.0757	0.876	16	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:3:1:	4:4:3:1:	4:	C[3x6]-4:N[3x6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H)	C[3x6](C[6,6]N[3x6]C[6a]H)(C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(H)	H(C[6,6]C[3x6]N[3x6]C[6a])	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|C<3>,7|H<1>}	C[3x6](C[6,6]N[3x6]C[6a]H)(C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]N[3x6]C[6a])	106.9880	0.116	2	106.9880	0.013	2	106.4973	0.366	10	107.0757	0.876	16	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:3:1:	4:4:3:1:	4:	C[3x6]-4:N[3x6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H)	C[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]O)(H)	H(C[6,6]C[3x6]N[3x6]C[6a])	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]O)(H){1|H<1>,3|C<4>,4|C<3>}	H(C[6,6]C[3x6]N[3x6]C[6a])	106.3746	0.618	8	106.3746	0.382	8	106.4973	0.366	10	107.0757	0.876	16	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:3:1:	4:4:3:1:	4:	C[3x6]-4:N[6,6]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]N[6,6]C[6a])	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]H)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]N[6,6]C[6a])	107.9460	0.000	1	107.9460	0.000	1	107.9460	0.000	1	107.0757	0.876	16	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:3:1:	4:4:3:1:	4:	C[3x6]-4:N[6,6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H)	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]N[6,6]C[6a])	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H){1|C<2>,2|C<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]N[6,6]C[6a])	107.9780	0.000	1	107.9780	0.000	1	107.9533	0.408	3	107.0757	0.876	16	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:3:1:	4:4:3:1:	4:	C[3x6]-4:N[6,6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H)	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	H(C[6,6]C[3x6]N[6,6]C[6a])	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]N[6,6]C[6a])	107.3030	0.000	1	107.3030	0.000	1	107.9533	0.408	3	107.0757	0.876	16	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:3:1:	4:4:3:1:	4:	C[3x6]-4:N[6,6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]S)(C[6a]C[6a]2)(H)	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]N[6,6]C[6a])	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]S)(C[6a]C[6a]2)(H){1|C<4>,3|C<3>,6|H<1>}	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]N[6,6]C[6a])	108.5790	0.000	1	108.5790	0.000	1	107.9533	0.408	3	107.0757	0.876	16	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:3:1:	4:4:3:4:	4:	C[3x6]-4:N[6,6]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(N[6,6]C[3x6]C[6a])(C[6a]C[6a]2)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]H)(CHHO)	H(C[6,6]C[3x6]N[6,6]C[6a])	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(N[6,6]C[3x6]C[6a])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]H)(CHHO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6,6]C[3x6]N[6,6]C[6a])	107.5210	0.000	1	107.5210	0.000	1	107.5210	0.000	1	107.5210	0.000	1	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-3:C[6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]C)(H)	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]2H)(C[6]C[6]HI)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]C)(H){1|C<4>,1|I<1>,2|H<1>,4|C<3>}	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]2H)(C[6]C[6]HI)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>,3|O<1>}	H(C[6,6]C[3x6]C[6]2)	109.1340	0.000	1	109.1340	0.000	1	109.1340	0.000	1	107.4533	2.119	3	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:3:1:	4:4:4:1:	4:	C[3x6]-4:N[3x6]-3:C[6a]-3:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H)	C[3x6](C[4x6]C[3x6]O[6,6]H)(C[6,6]N[3x6]C[6a]H)(C[6]C[6a]N[6]H)(H)	H(C[6,6]C[3x6]N[3x6]C[6a])	C[6,6](C[3x6]C[4x6]C[6]H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,7|H<1>}	C[3x6](C[4x6]C[3x6]O[6,6]H)(C[6,6]N[3x6]C[6a]H)(C[6]C[6a]N[6]H)(H){2|H<1>,3|C<4>,4|C<3>}	H(C[6,6]C[3x6]N[3x6]C[6a])	106.6130	0.017	2	106.6130	0.000	2	106.6130	0.000	2	107.4533	2.119	3	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:3:1:	4:4:4:2:	4:	C[3x6]-4:N[5,6,6]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(N[5,6,6]C[5,4x6]C[5])(C[6a]C[6a]2)(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(OC)	H(C[6,6]N[5,6,6]C[3x6]C[6a])	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(N[5,6,6]C[5,4x6]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(OC){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[6,6]N[5,6,6]C[3x6]C[6a])	107.6410	0.000	1	107.6410	0.000	1	107.6410	0.000	1	107.6410	0.000	1	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:3:1:	4:4:4:3:	4:	C[3x6]-4:N[6]-3:N[6]-3:H-1:	C[6,6]-4:C[3x6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]N)(N[6]C[6,6]C[6a])(N[6]C[6]C)(H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6,6]N[6]2H)(NHO)	H(C[6,6]C[3x6]N[6]2)	C[6,6](C[3x6]C[3x6]C[6,6]N)(N[6]C[6,6]C[6a])(N[6]C[6]C)(H){3|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6,6]N[6]2H)(NHO){1|N<2>,3|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]N[6]2)	107.7780	0.000	1	107.7780	0.000	1	107.7780	0.000	1	107.7780	0.000	1	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:4:1:	3:4:4:1:	4:	C[3x6]-4:C[6]-3:C[6]-4:H-1:	N[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]N[6,6]O)(C[6]C[6]HH)(H)	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6]2H)2(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]N[6,6]O)(C[6]C[6]HH)(H){3|H<1>,5|C<4>}	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6]2H)2(H){1|O<1>,2|N<3>,3|C<4>,8|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.4010	0.000	1	106.4010	0.000	1	106.4010	0.000	1	107.7495	3.637	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:4:1:	3:4:4:1:	4:	C[3x6]-4:N[6,6]-3:C-4:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]S)(CC[6a]HH)(H)	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(H)	H(C[6,6]C[3x6]N[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]S)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]N[6,6]C)	109.0980	0.000	1	109.0980	0.000	1	109.0980	0.000	1	107.7495	3.637	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:4:1:	3:4:4:3:	4:	C[3x6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C[3x6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6]2)	106.4450	0.000	1	106.8560	0.173	3	106.8560	0.173	3	106.8560	0.173	3	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:4:1:	3:4:4:3:	4:	C[3x6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6]2)	107.0615	0.305	2	106.8560	0.173	3	106.8560	0.173	3	106.8560	0.173	3	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:4:1:	4:2:3:4:	4:	C[3x6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:O[6,6]-2:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[5,3x6]O)(C[6]C[6]2H)(H)	C[3x6](C[6,6]C[6,6]C[6]H)(O[6,6]C[5,3x6])(C[6,6]C[6,6]H)(CC3)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[5,3x6]O)(C[6]C[6]2H)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]C[6]H)(O[6,6]C[5,3x6])(C[6,6]C[6,6]H)(CC3){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	H(C[6,6]C[3x6]C[6,6]C[6])	105.3060	0.000	1	105.3060	0.000	1	105.3060	0.000	1	105.3060	0.000	1	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:4:1:	4:3:3:1:	4:	C[3x6]-4:C[6,6]-3:C-4:H-1:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N)(CHHO)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N)(CHHO)(H){1|O<2>,2|C<3>,2|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H){1|C<4>,1|H<1>,1|N<2>}	H(C[6,6]C[3x6]C[6,6]C)	108.7630	0.000	1	108.7630	0.000	1	108.7630	0.000	1	108.7630	0.000	1	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:4:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-3:C-4:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]O)(CH3)(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]O)(CH3)(H){1|C<3>,1|H<1>,3|C<4>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H){1|C<3>,1|C<4>,1|O<2>,2|O<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.1480	0.000	1	108.1970	0.005	2	108.1970	0.005	2	108.1970	0.005	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:4:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-3:C-4:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]O)(CH3)(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]O)(CH3)(H){1|C<3>,1|H<1>,3|C<4>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H){1|O<2>,2|C<4>,2|O<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.2460	0.000	1	108.1970	0.005	2	108.1970	0.005	2	108.1970	0.005	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:4:1:	4:4:3:1:	4:	C[3x6]-4:C[5a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]C[5a])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){1|C<2>,2|C<3>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]C[5a])	107.8740	0.066	2	107.8558	0.249	8	107.8558	0.249	8	108.0471	0.350	15	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:4:1:	4:4:3:1:	4:	C[3x6]-4:C[5a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]C[5a])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){2|C<3>,2|H<1>,6|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]C[5a])	107.8613	0.602	3	107.8558	0.249	8	107.8558	0.249	8	108.0471	0.350	15	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:4:1:	4:4:3:1:	4:	C[3x6]-4:C[5a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]C[5a])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){2|C<3>,3|H<1>,5|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]C[5a])	107.0290	0.000	1	107.8558	0.249	8	107.8558	0.249	8	108.0471	0.350	15	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:4:1:	4:4:3:1:	4:	C[3x6]-4:C[5a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]C[5a])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){3|C<3>,3|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]C[5a])	108.3720	0.000	1	107.8558	0.249	8	107.8558	0.249	8	108.0471	0.350	15	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:4:1:	4:4:3:1:	4:	C[3x6]-4:C[5a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]C[5a])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){3|C<3>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]C[5a])	108.1130	0.000	1	107.8558	0.249	8	107.8558	0.249	8	108.0471	0.350	15	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-3:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CH3)(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CH)(C[6,6]C[3x6]O)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CH)(C[6,6]C[3x6]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.4640	0.000	1	108.4640	0.000	1	108.4640	0.000	1	108.0471	0.350	15	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6a]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[3x6](C[5,6,6]C[5,6]O[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2)(H)	H(C[6,6]C[6,6a]C[3x6]C[6])	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,2|H<1>,2|O<2>,5|C<3>}	C[3x6](C[5,6,6]C[5,6]O[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6a]C[3x6]C[6])	106.9560	0.000	1	106.9560	0.000	1	106.9560	0.000	1	108.0471	0.350	15	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:4:1:	4:4:3:1:	4:	C[3x6]-4:N[6,6]-3:C-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C)(CC[6a]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]N[6,6]C)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C)(CC[6a]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]N[6,6]C)	108.3665	0.276	4	108.3665	0.076	4	108.3665	0.076	4	108.0471	0.350	15	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:4:1:	4:4:3:1:	4:	C[3x6]-4:N[6,6]-3:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(CH3)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]N[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(CH3)(H){1|C<3>,1|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]N[6,6]C)	108.9750	0.000	1	108.9750	0.000	1	108.9750	0.000	1	108.0471	0.350	15	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:4:1:	4:4:3:2:	4:	C[3x6]-4:C[6,6]-3:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-3:C-2:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]N[6,6]O)(CN)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<3>,2|O<1>,3|H<1>,4|C<4>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]N[6,6]O)(CN){1|C<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	109.1660	0.247	2	109.1660	0.061	2	109.1400	0.033	3	109.1400	0.033	3	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:4:1:	4:4:3:2:	4:	C[3x6]-4:C[6,6]-3:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-3:C-2:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(CN)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<2>,2|O<1>,3|H<1>,4|C<4>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(CN){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	109.0880	0.000	1	109.0880	0.000	1	109.1400	0.033	3	109.1400	0.033	3	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:4:1:	4:4:4:1:	4:	C[3x6]-4:C[5a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]CO)(H)	H(C[6,6]C[3x6]C[6,6]C[5a])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){1|O<1>,3|C<3>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]CO)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]C[5a])	106.2980	0.000	1	106.2980	0.000	1	106.2980	0.000	1	107.3515	2.220	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:4:1:	4:4:4:1:	4:	C[3x6]-4:N[6,6]-3:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(CCHH)(H)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]CH)(H)	H(C[6,6]C[3x6]N[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(CCHH)(H){2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]CH)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[3x6]N[6,6]C)	108.4050	0.000	1	108.4050	0.000	1	108.4050	0.000	1	107.3515	2.220	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:4:1:	4:4:4:2:	4:	C[3x6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])	H(C[6,6]C[6,6a]C[3x6]C[6])	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[3x6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6]){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6a]C[3x6]C[6])	105.1020	0.000	1	105.1020	0.000	1	105.1020	0.000	1	105.1020	0.000	1	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:4:1:	4:4:4:3:	4:	C[3x6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[3x6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]N)(C[6,6]C[6,6]N)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6,6]N[6]2H)(NHO)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[3x6]C[6,6]N)(C[6,6]C[6,6]N)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|N<3>,5|H<1>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6,6]N[6]2H)(NHO){1|N<2>,3|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]C[6])	109.7410	0.000	1	109.7410	0.000	1	109.7410	0.000	1	108.3160	1.553	3	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:4:1:	4:4:4:3:	4:	C[3x6]-4:N[6,6]-3:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C)(CC[5a]HH)(H)	C[3x6](C[6,6]C[3,6,6]CH)(C[6,6]N[6,6]CH)(C[6,6]O[6,6]HH)(COO)	H(C[6,6]C[3x6]N[6,6]C)	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C)(CC[5a]HH)(H){1|O<2>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[3,6,6]CH)(C[6,6]N[6,6]CH)(C[6,6]O[6,6]HH)(COO){1|O<2>,3|C<4>}	H(C[6,6]C[3x6]N[6,6]C)	107.6035	0.245	2	107.6035	0.060	2	107.6035	0.060	2	108.3160	1.553	3	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:3:4:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-3:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2)(C[6]C[6]HH)(H){10|H<1>,1|O<2>,4|C<4>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	106.4990	0.000	1	106.4990	0.000	1	106.4990	0.000	1	106.4990	0.000	1	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:3:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2{1|Cl<1>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){2|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	110.0295	0.042	2	110.0855	0.005	15	110.0855	0.005	15	109.7896	0.163	68	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:3:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	H(C[6,6]C[3x6]2H)	110.0915	0.029	2	110.0855	0.005	15	110.0855	0.005	15	109.7896	0.163	68	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:3:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){2|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[3x6]2H)	110.1315	0.011	2	110.0855	0.005	15	110.0855	0.005	15	109.7896	0.163	68	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:3:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){3|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	110.2160	0.000	1	110.0855	0.005	15	110.0855	0.005	15	109.7896	0.163	68	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:3:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	H(C[6,6]C[3x6]2H)	109.9625	0.049	2	110.0855	0.005	15	110.0855	0.005	15	109.7896	0.163	68	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:3:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){2|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[3x6]2H)	110.0830	0.040	2	110.0855	0.005	15	110.0855	0.005	15	109.7896	0.163	68	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:3:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){3|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]2H)	110.1175	0.043	4	110.0855	0.005	15	110.0855	0.005	15	109.7896	0.163	68	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:3:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	N[4x6]-3:C[5,6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[5,6]N[4x6]H)(H)2	C[3x6](N[4x6]C[5,3x6]C[6,6])(C[5,6]C[5,5,6]N[5])(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[5,6]N[4x6]H)(H)2{1|N<2>,2|H<1>,5|C<4>}	C[3x6](N[4x6]C[5,3x6]C[6,6])(C[5,6]C[5,5,6]N[5])(C[6,6]C[3x6]HH)(H){2|C<3>,3|H<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	110.3170	0.010	2	110.3170	0.000	2	110.3170	0.000	2	109.7896	0.163	68	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:3:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5a,6,6]-3:C[5a,6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5a,6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5a,6,6]C[5a,6,6]C[5a,6])2(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5a,6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,4|C<3>}	C[3x6](C[5a,6,6]C[5a,6,6]C[5a,6])2(C[6,6]C[6,6]HH)(H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.3650	0.010	2	109.3650	0.000	2	109.4705	0.015	4	109.7896	0.163	68	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:3:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5a,6,6]-3:C[5a,6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5a,6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])2(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5a,6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,4|C<3>}	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])2(C[6,6]C[6,6]HH)(H){2|C<3>,2|H<1>,2|N<3>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.5760	0.021	2	109.5760	0.000	2	109.4705	0.015	4	109.7896	0.163	68	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:3:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CC)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CC)(H)2{1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|C<4>,2|H<1>,6|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.6385	0.039	2	109.5397	0.014	4	109.5954	0.221	27	109.7896	0.163	68	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:3:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CC)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CC)(H)2{1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){2|C<4>,2|H<1>,5|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.4410	0.025	2	109.5397	0.014	4	109.5954	0.221	27	109.7896	0.163	68	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:3:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(H)2{1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|C<4>,3|H<1>,5|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.1265	0.470	2	109.3752	0.157	4	109.5954	0.221	27	109.7896	0.163	68	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:3:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(H)2{1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.6240	0.041	2	109.3752	0.157	4	109.5954	0.221	27	109.7896	0.163	68	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:3:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.7120	0.085	2	109.5758	0.320	15	109.5954	0.221	27	109.7896	0.163	68	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:3:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|C<4>,2|H<1>,2|P<4>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.5427	0.026	4	109.5758	0.320	15	109.5954	0.221	27	109.7896	0.163	68	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:3:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5602	0.744	9	109.5758	0.320	15	109.5954	0.221	27	109.7896	0.163	68	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:3:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HP)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HP)(H)2{1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|C<4>,1|P<4>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.8185	0.036	2	109.8185	0.001	2	109.5954	0.221	27	109.7896	0.163	68	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:3:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]PtH)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]PtH)(H)2{1|Se<2>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|Pt<4>,1|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	110.0715	0.006	2	110.0715	0.000	2	109.5954	0.221	27	109.7896	0.163	68	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:3:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-3:N[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]C[6a])(N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[3x6](C[6,6]C[6,6]C[6a])(N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9367	0.052	8	109.9367	0.003	8	109.9367	0.003	8	109.7896	0.163	68	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:3:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	N[5,6,6]-3:N[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]N[5,6,6]N[6,6]H)(C[6,6]C[3x6]CH)(H)2	C[3x6](N[5,6,6]C[5,6,6]C[5,6a])(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]N[5,6,6]N[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[3x6](N[5,6,6]C[5,6,6]C[5,6a])(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,5|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.8180	0.004	2	109.8180	0.000	2	109.7217	0.181	6	109.7896	0.163	68	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:3:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	N[5,6,6]-3:N[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]N[5,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](N[5,6,6]C[5,6,6]C[5,6a])(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]N[5,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[3x6](N[5,6,6]C[5,6,6]C[5,6a])(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.6735	0.541	4	109.6735	0.292	4	109.7217	0.181	6	109.7896	0.163	68	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:3:4:1:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]HH)(H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(H)2{1|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[5,6,6]C[3x6]H)	110.0592	0.080	4	110.0592	0.006	4	110.0592	0.006	4	109.7896	0.163	68	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,3x6]CC)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]N[5,6,6]O)2(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,5,3x6]CC)(C[3x6]C[6,6]2H)(H)2{1|C<4>,2|N<3>,2|O<1>}	C[3x6](C[6,6]N[5,6,6]O)2(C[6,6]C[6,6]HH)(H){2|C<3>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.3780	0.018	2	109.3780	0.000	2	109.3780	0.000	2	109.7896	0.163	68	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:3:4:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]HH)(H)2{1|C<4>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3){1|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4968	0.506	14	109.4968	0.256	14	109.4968	0.256	14	109.2332	0.986	17	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:3:4:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	N[5a,6,6]-3:C[5,6,6]-3:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]N[5a,6,6]C[5,6,6]C)(C[6,6]C[3x6]CC)(H)2	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]N[5a,6,6]C[5,6,6]C)(C[6,6]C[3x6]CC)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(CH3){1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	107.4135	2.201	2	107.4135	4.845	2	107.4135	4.845	2	109.2332	0.986	17	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:3:4:4:	4:	C[5x6]-4:C[3x6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[5x6]C[6,6,6a]2C[5x6])(C[3x6]C[6,6,6a]2C)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5x6]HH)(CH3)	H(C[6,6]C[3x6]C[5x6]H)	C[6,6](C[5x6]C[6,6,6a]2C[5x6])(C[3x6]C[6,6,6a]2C)(H)2{1|C<4>,8|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5x6]HH)(CH3){1|C<4>,2|H<1>,6|C<3>}	H(C[6,6]C[3x6]C[5x6]H)	109.1830	0.000	1	109.1830	0.000	1	109.1830	0.000	1	109.2332	0.986	17	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:2:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-3:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	110.0730	0.006	2	110.0730	0.000	2	109.8407	0.072	4	109.8836	0.040	30	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:2:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-3:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]O[6]H)(H)2	C[3x6](C[3x6]C[4x6]C[6])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]O[6]H)(H)2{1|Br<1>,2|C<3>,2|C<4>}	C[3x6](C[3x6]C[4x6]C[6])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6085	0.015	2	109.6085	0.000	2	109.8407	0.072	4	109.8836	0.040	30	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:2:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2{2|C<3>,5|C<4>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	110.0293	0.119	3	110.0293	0.014	3	110.0293	0.014	3	109.8836	0.040	30	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:2:1:	4:	C[3x6]-4:C[4,6,6]-4:H-1:H-1:	C[3x6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]O[6]H)(C[4,6,6]C[4,6]2H)(H)2	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(O[6]C[6,6])(H)	H(C[6,6]C[4,6,6]C[3x6]H)	C[6,6](C[3x6]C[3x6]O[6]H)(C[4,6,6]C[4,6]2H)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(O[6]C[6,6])(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[4,6,6]C[3x6]H)	109.3755	0.023	2	109.3755	0.001	2	109.3755	0.001	2	109.8836	0.040	30	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:2:1:	4:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-3:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[5,3x6]C[5]C)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[5,6,6]HH)(O[6,6]O[6,6])(H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[5,3x6]C[5]C)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[5,6,6]HH)(O[6,6]O[6,6])(H){1|O<1>,1|O<2>,4|C<4>}	H(C[6,6]C[5,6,6]C[3x6]H)	109.9310	0.007	2	109.9310	0.000	2	109.9310	0.000	2	109.8836	0.040	30	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]C[6a]C)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]C[6a]C)(H)2{1|C<4>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.6050	0.004	2	109.6050	0.000	2	109.9184	0.019	17	109.8836	0.040	30	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]C[6a]H)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]C[6a]H)(H)2{1|C<4>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.9264	0.048	7	109.9264	0.002	7	109.9184	0.019	17	109.8836	0.040	30	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.9896	0.093	8	109.9896	0.009	8	109.9184	0.019	17	109.8836	0.040	30	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]HH)(H)2	C[3x6](C[6,6]C[5,6,6]H)(C[6,6]C[6,6]HH)(O[6,6]O[6,6])(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[3x6](C[6,6]C[5,6,6]H)(C[6,6]C[6,6]HH)(O[6,6]O[6,6])(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9155	0.009	2	109.9155	0.000	2	109.9155	0.000	2	109.8836	0.040	30	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	P[6,6]-3:C[6,6]-4:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C[3x6](P[6,6]C[3x6]C[6a])(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|C<3>,2|C<4>}	C[3x6](P[6,6]C[3x6]C[6a])(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){1|C<3>,1|N<2>,2|O<2>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.5350	0.060	23	109.5481	0.003	41	109.5584	0.005	44	109.5706	0.009	52	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	P[6,6]-3:C[6,6]-4:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C[3x6](P[6,6]C[3x6]C[6a])(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|C<3>,2|C<4>}	C[3x6](P[6,6]C[3x6]C[6a])(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){2|C<3>,2|O<2>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.5564	0.043	14	109.5481	0.003	41	109.5584	0.005	44	109.5706	0.009	52	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	P[6,6]-3:C[6,6]-4:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C[3x6](P[6,6]C[3x6]C[6a])(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|C<3>,2|C<4>}	C[3x6](P[6,6]C[3x6]C[6a])(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){2|N<2>,2|O<2>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.5948	0.057	4	109.5481	0.003	41	109.5584	0.005	44	109.5706	0.009	52	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	P[6,6]-3:C[6,6]-4:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C[3x6](P[6,6]C[3x6]P[6,6])(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|P<3>,2|C<4>}	C[3x6](P[6,6]C[3x6]P[6,6])(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){2|O<2>,6|C<4>}	H(C[6,6]C[3x6]2H)	109.6980	0.118	3	109.6980	0.014	3	109.5584	0.005	44	109.5706	0.009	52	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:2:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6]C[3x6]HH)(H)2{1|C<4>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(CH3){1|C<4>,2|C<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7680	0.034	2	109.7680	0.001	2	109.5913	0.042	4	109.5706	0.009	52	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:2:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6]C[3x6]HO)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6]C[3x6]HO)(H)2{1|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(CH3){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.4145	0.011	2	109.4145	0.000	2	109.5913	0.042	4	109.5706	0.009	52	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:2:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]O[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(C[6]C[6]2H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]O[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(C[6]C[6]2H){1|O<1>,2|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6840	0.127	4	109.6840	0.016	4	109.6840	0.016	4	109.5706	0.009	52	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[3x6]C[4x6]C[6]C)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[3x6]C[4x6]C[6]C)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(H){1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[3x6]2H)	107.7505	0.735	2	107.7505	0.540	2	108.8105	1.678	4	109.5382	0.468	90	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[3x6]C[6,6a]C[4x6]C)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[3x6]C[6,6a]C[4x6]C)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]2H)	109.8705	0.006	2	109.8705	0.000	2	108.8105	1.678	4	109.5382	0.468	90	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(C[5,6,6]C[5,3x6]C[5]C)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[5,6,6]HH)(N[6,6]O[6,6]C)(H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(C[5,6,6]C[5,3x6]C[5]C)(H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[5,6,6]HH)(N[6,6]O[6,6]C)(H){1|O<1>,1|O<2>,4|C<4>}	H(C[6,6]C[5,6,6]C[3x6]H)	109.7283	0.022	4	109.7283	0.000	4	109.7283	0.000	4	109.5382	0.468	90	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	As[4x6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]As[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](As[4x6]C[3x6]P[4x6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]As[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[3x6](As[4x6]C[3x6]P[4x6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|W<6>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.1200	0.030	3	109.1200	0.001	3	109.1200	0.001	3	109.5382	0.468	90	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|H<1>,3|C<3>}	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.3347	0.150	15	109.3347	0.022	15	109.3347	0.022	15	109.5382	0.468	90	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5a,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,4|C<3>}	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7320	0.027	4	109.6974	0.003	7	109.3795	0.062	35	109.5382	0.468	90	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5a,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,4|C<3>}	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.6513	0.037	3	109.6974	0.003	7	109.3795	0.062	35	109.5382	0.468	90	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5a,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|H<1>,3|C<3>}	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.3000	0.213	28	109.3000	0.045	28	109.3795	0.062	35	109.5382	0.468	90	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5565	0.021	2	109.5215	0.006	8	109.5215	0.006	8	109.5382	0.468	90	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5098	0.087	6	109.5215	0.006	8	109.5215	0.006	8	109.5382	0.468	90	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6,6]C[6,6]S)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6,6]C[6,6]S)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9000	0.017	2	109.9000	0.000	2	109.9000	0.000	2	109.5382	0.468	90	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]N[6,6]C[6a])(C[6,6]C[6,6]HH)(N[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	C[3x6](C[6,6]N[6,6]C[6a])(C[6,6]C[6,6]HH)(N[6,6]C[6,6]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.2730	0.000	1	110.2730	0.000	1	110.2730	0.000	1	109.5382	0.468	90	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	N[6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](N[6,6]C[3x3,4,3x5,14x6]O[6,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<5>,1|O<2>,2|H<1>}	C[3x6](N[6,6]C[3x3,4,3x5,14x6]O[6,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,3|H<1>,4|B<6>}	H(C[6,6]C[3x6]C[6,6]H)	110.0725	0.019	2	110.0725	0.000	2	109.9620	0.013	12	109.5382	0.468	90	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	N[6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0138	0.061	6	109.9544	0.015	8	109.9620	0.013	12	109.5382	0.468	90	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	N[6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7760	0.024	2	109.9544	0.015	8	109.9620	0.013	12	109.5382	0.468	90	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	N[6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[3x6](N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8820	0.014	2	109.8820	0.000	2	109.9620	0.013	12	109.5382	0.468	90	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]S[5]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,5,6,6]O)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]S[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>,3|O<1>}	C[3x6](C[6,6]C[5,5,6,6]O)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H){1|N<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	109.6490	0.023	4	109.6490	0.001	4	109.6490	0.001	4	109.5382	0.468	90	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	N[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5,5])(C[3x6]N[6,6,6a]C[6,6]H)(H)2	C[3x6](N[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5,5])(C[3x6]N[6,6,6a]C[6,6]H)(H)2{1|N<2>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[3x6](N[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>}	H(C[6,6]C[5,6,6]C[3x6]H)	112.1175	3.661	2	112.1175	13.401	2	112.1175	13.401	2	109.5382	0.468	90	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:3:2:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]O)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]O)(C[6,6]C[3x6]HH)(H)2{2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4965	0.033	2	109.4965	0.001	2	109.4965	0.001	2	109.4965	0.001	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:3:3:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]CN)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CCO)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]CN)(H)2{2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CCO){1|C<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4990	0.024	2	109.4990	0.001	2	109.5804	0.012	5	109.5512	0.012	9	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:3:3:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]N[5]C)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CCO)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]N[5]C)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CCO){1|C<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7020	0.007	2	109.7020	0.000	2	109.5804	0.012	5	109.5512	0.012	9	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:3:3:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]N[6]C)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CCO)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]N[6]C)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CCO){1|C<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5000	0.000	1	109.5000	0.000	1	109.5804	0.012	5	109.5512	0.012	9	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:3:3:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(C[6a]C[6a]2)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(C[6a]C[6a]2){1|C<4>,4|C<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5147	0.115	4	109.5147	0.013	4	109.5147	0.013	4	109.5512	0.012	9	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:3:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:N[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]N[6,6]C)(C[3x6]C[6,6a]C[4x6]C)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6,6a]N[6,6]C)(C[3x6]C[6,6a]C[4x6]C)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(CH3){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]2H)	109.3295	0.039	2	109.3295	0.002	2	109.3295	0.002	2	109.3746	0.104	22	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:3:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5025	0.188	8	109.5025	0.035	8	109.5025	0.035	8	109.3746	0.104	22	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:3:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6,6]C[6]O[6]O)(H)2	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6,6]C[6]O[6]O)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,2|O<2>,3|C<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0435	0.042	2	110.0435	0.002	2	110.0435	0.002	2	109.3746	0.104	22	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:3:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	N[6,6]-3:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2	C[3x6](N[6,6]C[3x3,4,3x5,14x6]O[6,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|C<5>,1|H<1>,1|O<2>}	C[3x6](N[6,6]C[3x3,4,3x5,14x6]O[6,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3){1|C<4>,3|H<1>,4|B<6>}	H(C[6,6]C[3x6]C[6,6]H)	109.3723	0.073	4	109.3723	0.005	4	109.3723	0.005	4	109.3746	0.104	22	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,3x6]C[5]C)(C[3x6]C[6,6]2C)(H)2	C[3x6](C[6,6]C[5,5,6,6]O)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,3x6]O)(CCHH)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]C)(C[3x6]C[6,6]2C)(H)2{1|H<1>,1|O<2>,2|O<1>,4|C<4>}	C[3x6](C[6,6]C[5,5,6,6]O)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,3x6]O)(CCHH){1|C<3>,6|C<4>}	H(C[6,6]C[5,6,6]C[3x6]H)	108.9665	0.099	4	108.9978	0.008	6	108.9978	0.008	6	109.3746	0.104	22	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,3x6]C[5]C)(C[3x6]C[6,6]2C)(H)2	C[3x6](C[6,6]C[5,5,6,6]O)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,3x6]O)(CCHH)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]C)(C[3x6]C[6,6]2C)(H)2{2|H<1>,3|C<4>,3|O<1>}	C[3x6](C[6,6]C[5,5,6,6]O)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,3x6]O)(CCHH){2|C<3>,5|C<4>}	H(C[6,6]C[5,6,6]C[3x6]H)	109.0605	0.009	2	108.9978	0.008	6	108.9978	0.008	6	109.3746	0.104	22	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[5,6,6]C[5,3x6]N[5])(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|N<2>,2|C<4>,6|H<1>}	C[3x6](C[5,6,6]C[5,3x6]N[5])(C[6,6]C[3x6]HH)2(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.6454	0.040	5	109.6454	0.002	5	109.6454	0.002	5	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.6250	0.000	1	109.6250	0.000	1	109.5934	0.463	88	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[3x6]HH)2(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.7863	0.022	3	109.7863	0.000	3	109.5934	0.463	88	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]C[5])(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]C[5])(C[6,6]C[3x6]HH)2(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6563	0.097	29	109.6731	0.008	42	109.5934	0.463	88	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]C[5])(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]C[5])(C[6,6]C[3x6]HH)2(H){2|P<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7247	0.048	6	109.6731	0.008	42	109.5934	0.463	88	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]C[5])(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]C[5])(C[6,6]C[3x6]HH)2(H){3|H<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.6984	0.081	7	109.6731	0.008	42	109.5934	0.463	88	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(H){3|H<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.6440	0.008	2	109.6440	0.000	2	109.5934	0.463	88	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)2(H){3|H<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.6323	0.015	3	109.4002	1.527	26	109.5934	0.463	88	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)2(H){3|H<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.3700	1.314	23	109.4002	1.527	26	109.5934	0.463	88	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)2(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6623	0.166	14	109.6623	0.028	14	109.5934	0.463	88	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	C[3x6](C[6,6]C[4x6]C[6,6])(C[6,6]C[4x6]HH)2(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[3x6](C[6,6]C[4x6]C[6,6])(C[6,6]C[4x6]HH)2(H){3|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	109.7262	1.865	12	109.7262	3.477	12	109.7262	3.477	12	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]HH)(H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]HH)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	109.6375	0.052	2	109.6375	0.003	2	109.6375	0.003	2	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:Br-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]Br2)(Br)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]Br)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]Br2)(Br)(H){1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H){3|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]Br)	106.4470	0.000	1	106.4470	0.000	1	107.2937	0.604	7	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:Br-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]Br2)(Br)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]BrH)2(H)	H(C[6,6]C[3x6]C[6,6]Br)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]Br2)(Br)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]BrH)2(H){3|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]Br)	108.2150	0.000	1	108.2150	0.000	1	107.2937	0.604	7	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:Br-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(Br)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Br2)(C[6,6]C[6,6]BrH)(H)	H(C[6,6]C[3x6]C[6,6]Br)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(Br)(H){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Br2)(C[6,6]C[6,6]BrH)(H){2|Br<1>,1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]Br)	107.4760	0.000	1	107.4760	0.000	1	107.2937	0.604	7	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:Br-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(Br)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]BrH)2(H)	H(C[6,6]C[3x6]C[6,6]Br)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(Br)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]BrH)2(H){3|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]Br)	107.5510	0.000	1	107.5510	0.000	1	107.2937	0.604	7	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:Br-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(Br)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Br2)(C[6,6]C[6,6]BrH)(H)	H(C[6,6]C[3x6]C[6,6]Br)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(Br)(H){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Br2)(C[6,6]C[6,6]BrH)(H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]Br)	106.0060	0.000	1	106.0060	0.000	1	107.2937	0.604	7	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:Br-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HO)(Br)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]Br)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HO)(Br)(H){1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]Br)	107.6805	0.053	2	107.6805	0.003	2	107.2937	0.604	7	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8659	0.085	10	109.7680	0.024	20	109.7132	0.027	32	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6701	0.147	10	109.7680	0.024	20	109.7132	0.027	32	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[3x6]C[3x6]S[6])(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[3x6](C[3x6]C[3x6]S[6])(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7678	0.048	4	109.7678	0.002	4	109.7132	0.027	32	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[3x6]C[5,6,6]C[3x6])(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[5,6,6]C[3x6])(C[6,6]C[6,6]HH)2(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4760	0.083	4	109.4760	0.007	4	109.7132	0.027	32	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[3x6]C[5a,6]C[3x6])(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[3x6]C[5a,6]C[3x6])(C[6,6]C[6,6]HH)2(H){1|C<3>,1|S<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6215	0.074	4	109.6215	0.005	4	109.7132	0.027	32	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[4x6]C[4x6]C[5x6])(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[4x6]C[4x6]C[5x6])(C[6,6]C[6,6]HH)2(H){2|S<2>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5845	0.207	8	109.5845	0.043	8	109.5845	0.043	8	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-3:C[5,6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	108.9438	0.778	4	108.9438	0.606	4	108.9438	0.606	4	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5,6,6]C[5,6,6]2)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]2)(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9330	0.082	4	109.7077	0.023	18	109.6388	0.019	44	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5,6,6]C[5,6,6]2)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]2)(C[6,6]C[6,6]HH)2(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5350	0.102	4	109.7077	0.023	18	109.6388	0.019	44	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5,6,6]C[5,6,6]2)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]2)(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6866	0.036	10	109.7077	0.023	18	109.6388	0.019	44	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6477	0.044	6	109.6247	0.006	22	109.6388	0.019	44	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5870	0.077	12	109.6247	0.006	22	109.6388	0.019	44	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)2(H){2|C<4>,2|S<2>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7032	0.033	4	109.6247	0.006	22	109.6388	0.019	44	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5,6,6]C[5,6,6]S[5])(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]S[5])(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4065	0.026	4	109.4065	0.001	4	109.6388	0.019	44	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5a,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)2(H){1|Br<1>,1|C<3>,1|C<4>,1|S<2>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6101	0.122	7	109.5822	0.012	17	109.5833	0.011	20	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5a,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,1|S<2>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6695	0.061	4	109.5822	0.012	17	109.5833	0.011	20	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5a,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4915	0.044	6	109.5822	0.012	17	109.5833	0.011	20	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5a,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5a,6,6]C[5a,6,6]S[5a])(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[3x6](C[5a,6,6]C[5a,6,6]S[5a])(C[6,6]C[6,6]HH)2(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5893	0.085	3	109.5893	0.007	3	109.5833	0.011	20	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6]C[3x6]C[6a]H)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6]C[3x6]C[6a]H)(H)2{1|C<4>,1|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.5370	0.020	2	109.5370	0.000	2	109.5370	0.000	2	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]Ru)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{1|Ru<10>,1|H<1>,2|C<3>,2|C<4>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]Ru)(C[6,6]C[6,6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	108.5673	0.041	3	108.5673	0.002	3	108.5673	0.002	3	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H){3|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.1820	0.017	2	110.1820	0.000	2	109.7053	0.148	178	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]CC)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H){2|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.7138	0.082	4	109.7138	0.007	4	109.7053	0.148	178	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]CH)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H){2|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.6857	0.056	4	109.6857	0.003	4	109.7053	0.148	178	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5804	0.513	76	109.5804	0.263	76	109.7053	0.148	178	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[5,6a])(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[5,6a])(C[6,6]C[6,6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7181	0.159	22	109.7561	0.022	44	109.7053	0.148	178	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[5,6a])(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[5,6a])(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7940	0.130	22	109.7561	0.022	44	109.7053	0.148	178	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[5a,6a])(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[5a,6a])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6995	0.095	10	109.7308	0.014	22	109.7053	0.148	178	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[5a,6a])(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[5a,6a])(C[6,6]C[6,6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7568	0.136	12	109.7308	0.014	22	109.7053	0.148	178	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7030	0.041	2	109.7030	0.002	2	109.7053	0.148	178	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6465	0.039	4	109.6465	0.002	4	109.7053	0.148	178	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7910	0.007	2	109.7910	0.000	2	109.7053	0.148	178	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7223	0.027	3	109.7038	0.001	6	109.7053	0.148	178	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6853	0.019	3	109.7038	0.001	6	109.7053	0.148	178	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[6]O[6]C)(H)2	C[3x6](C[6,6,6a]C[5a,6,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[6]O[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6,6a]C[5a,6,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	110.0840	0.027	2	110.0840	0.001	2	109.7053	0.148	178	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[6]O[6]C)(H)2	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[6]O[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	110.3145	0.256	6	110.3145	0.065	6	109.7053	0.148	178	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]N[3x6]HH)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]N[3x6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H){1|N<3>,2|C<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0673	0.035	4	110.0673	0.001	4	109.7053	0.148	178	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:N[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6]C[3x6]C[6]C)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6,6]C[6,6]CH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6]C[3x6]C[6]C)(H)2{2|C<4>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6,6]C[6,6]CH)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6695	0.008	2	109.6695	0.000	2	109.6695	0.000	2	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7095	0.150	4	109.7095	0.022	4	109.7540	0.030	18	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8550	0.341	4	109.8550	0.116	4	109.7540	0.030	18	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7050	0.055	2	109.7050	0.003	2	109.7540	0.030	18	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7687	0.059	6	109.7687	0.004	6	109.7540	0.030	18	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6460	0.011	2	109.6460	0.000	2	109.7540	0.030	18	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](N[5,6,6]C[5,5,6]N[5,6,6])(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|N<4>,2|C<4>,3|H<1>}	C[3x6](N[5,6,6]C[5,5,6]N[5,6,6])(C[6,6]C[6,6]HH)2(H){4|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.1663	0.090	3	110.1663	0.008	3	110.1663	0.008	3	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6778	0.853	4	109.6778	0.728	4	109.9718	0.094	31	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](N[6,6]N[6,6]C[6a])(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[3x6](N[6,6]N[6,6]C[6a])(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0153	0.099	27	110.0153	0.010	27	109.9718	0.094	31	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:N[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(N[6,6]C[3x6]CH)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6,6]N[6,6]HH)(H)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(N[6,6]C[3x6]CH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6,6]N[6,6]HH)(H){2|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[3x6]N[6,6]H)	109.9850	0.020	2	109.9850	0.000	2	109.9850	0.000	2	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,6,6]C)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[5,6,6]C)(C[6,6]C[6,6]HH)2(H){2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4142	1.380	4	109.4142	1.905	4	109.7184	0.591	12	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,6,6]H)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[5,6,6]H)(C[6,6]C[6,6]HH)2(H){1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7960	0.044	2	109.7960	0.002	2	109.7184	0.591	12	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]HN)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,6,6]H)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,3x6]HN)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[5,6,6]H)(C[6,6]C[6,6]HH)2(H){1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6370	0.062	2	109.6370	0.004	2	109.7184	0.591	12	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,6,6]C)(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,6]O[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[3x6](C[6,6]C[5,6,6]C)(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0245	0.061	4	110.0245	0.004	4	109.7184	0.591	12	109.6448	0.365	473	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:2:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]O)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(OC)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]O)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(OC){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7310	0.044	4	109.7310	0.002	4	109.7310	0.002	4	109.7310	0.002	4	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:3:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)(C[6a]C[6a]2)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)(C[6a]C[6a]2){1|C<4>,4|C<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7045	0.018	2	109.7045	0.000	2	109.7045	0.000	2	109.7045	0.000	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[4])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[4]Ge[4,5]P[4])(C[6,6]C[3x6]HH)3	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[4])(C[3x6]C[6,6]2H)(H)2{1|Ge<3>,1|P<2>,2|C<4>,8|H<1>}	C[3x6](C[4]Ge[4,5]P[4])(C[6,6]C[3x6]HH)3{1|Ge<4>,1|P<4>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.4198	0.089	10	109.4198	0.008	10	109.4198	0.008	10	109.4606	0.559	375	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[4a])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[4a]C[4a]S[4a])(C[6,6]C[3x6]HH)3	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[4a])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|S<2>,2|C<4>,8|H<1>}	C[3x6](C[4a]C[4a]S[4a])(C[6,6]C[3x6]HH)3{1|S<2>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	108.1006	2.427	24	108.1006	5.889	24	108.1006	5.889	24	109.4606	0.559	375	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[5]Si[4,5]P[5])(C[6,6]C[3x6]HH)3	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2{1|Si<4>,1|P<3>,2|C<4>,8|H<1>}	C[3x6](C[5]Si[4,5]P[5])(C[6,6]C[3x6]HH)3{1|Si<4>,3|H<1>,3|N<3>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.2444	0.050	7	109.2444	0.002	7	109.2444	0.002	7	109.4606	0.559	375	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)3	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<2>,2|C<4>,8|H<1>}	C[3x6](C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)3{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.5318	0.116	17	109.5225	0.011	74	109.5717	0.017	134	109.4606	0.559	375	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)3	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,2|C<4>,8|H<1>}	C[3x6](C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)3{1|Cr<4>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.4838	0.137	12	109.5225	0.011	74	109.5717	0.017	134	109.4606	0.559	375	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)3	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,2|C<4>,8|H<1>}	C[3x6](C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)3{1|Fe<4>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.5118	0.102	8	109.5225	0.011	74	109.5717	0.017	134	109.4606	0.559	375	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)3	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,2|C<4>,8|H<1>}	C[3x6](C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)3{1|Ni<3>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.5376	0.087	27	109.5225	0.011	74	109.5717	0.017	134	109.4606	0.559	375	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)3	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,2|C<4>,8|H<1>}	C[3x6](C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)3{1|Ni<5>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.5212	0.074	10	109.5225	0.011	74	109.5717	0.017	134	109.4606	0.559	375	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[5a]N[5a,6]C[5a])(C[6,6]C[3x6]HH)3	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,2|C<4>,8|H<1>}	C[3x6](C[5a]N[5a,6]C[5a])(C[6,6]C[3x6]HH)3{1|B<4>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.5335	0.130	20	109.5335	0.017	20	109.5717	0.017	134	109.4606	0.559	375	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[5a]N[5a]O[5a])(C[6,6]C[3x6]HH)3	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|O<2>,2|C<4>,8|H<1>}	C[3x6](C[5a]N[5a]O[5a])(C[6,6]C[3x6]HH)3{1|C<3>,1|N<2>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7317	0.097	18	109.7317	0.009	18	109.5717	0.017	134	109.4606	0.559	375	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[5a]N[5a]S[5a])(C[6,6]C[3x6]HH)3	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|S<2>,2|C<4>,8|H<1>}	C[3x6](C[5a]N[5a]S[5a])(C[6,6]C[3x6]HH)3{1|C<3>,1|N<2>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6176	0.087	18	109.6406	0.009	22	109.5717	0.017	134	109.4606	0.559	375	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[5a]N[5a]S[5a])(C[6,6]C[3x6]HH)3	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|S<2>,2|C<4>,8|H<1>}	C[3x6](C[5a]N[5a]S[5a])(C[6,6]C[3x6]HH)3{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7442	0.023	4	109.6406	0.009	22	109.5717	0.017	134	109.4606	0.559	375	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6]C[5,6]P[3x6])(C[6,6]C[3x6]HH)3	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|P<3>,2|C<4>,8|H<1>}	C[3x6](C[6]C[5,6]P[3x6])(C[6,6]C[3x6]HH)3{1|N<3>,3|H<1>,6|C<4>}	H(C[6,6]C[3x6]2H)	109.1675	0.049	6	109.1675	0.002	6	109.1675	0.002	6	109.4606	0.559	375	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2C)(H)2	C[3x6](C[6a]C[6a]N[6a])(C[6,6]C[3x6]HH)3	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2C)(H)2{1|C<3>,1|N<2>,2|C<4>,8|H<1>}	C[3x6](C[6a]C[6a]N[6a])(C[6,6]C[3x6]HH)3{3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6200	0.019	3	109.6200	0.000	3	109.3984	0.114	58	109.4606	0.559	375	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6a]C[6a,6a]C[6a])(C[6,6]C[3x6]HH)3	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	C[3x6](C[6a]C[6a,6a]C[6a])(C[6,6]C[3x6]HH)3{3|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.3551	0.124	31	109.3551	0.015	31	109.3984	0.114	58	109.4606	0.559	375	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6a]C[6a]N[6a])(C[6,6]C[3x6]HH)3	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<2>,2|C<4>,8|H<1>}	C[3x6](C[6a]C[6a]N[6a])(C[6,6]C[3x6]HH)3{2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.3061	0.733	11	109.4375	0.306	20	109.3984	0.114	58	109.4606	0.559	375	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6a]C[6a]N[6a])(C[6,6]C[3x6]HH)3	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<2>,2|C<4>,8|H<1>}	C[3x6](C[6a]C[6a]N[6a])(C[6,6]C[3x6]HH)3{3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.5981	0.049	9	109.4375	0.306	20	109.3984	0.114	58	109.4606	0.559	375	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6a])2(H)2	C[3x6](C[6a]C[6a]N[6a])(C[6,6]C[3x6]HH)3	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6a])2(H)2{2|C<3>,2|C<4>,2|N<2>,8|H<1>}	C[3x6](C[6a]C[6a]N[6a])(C[6,6]C[3x6]HH)3{3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.3725	0.018	4	109.3725	0.000	4	109.3984	0.114	58	109.4606	0.559	375	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	N[5]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](N[5]C[5,5a]C[5])(C[6,6]C[3x6]HH)3	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,8|H<1>}	C[3x6](N[5]C[5,5a]C[5])(C[6,6]C[3x6]HH)3{1|B<4>,1|N<3>,4|C<4>,5|H<1>}	H(C[6,6]C[3x6]2H)	109.8226	0.057	5	109.6425	0.024	16	109.6017	0.155	49	109.4606	0.559	375	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	N[5]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](N[5]C[5,5a]C[5])(C[6,6]C[3x6]HH)3	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,8|H<1>}	C[3x6](N[5]C[5,5a]C[5])(C[6,6]C[3x6]HH)3{1|Ge<3>,1|N<3>,4|C<4>,5|H<1>}	H(C[6,6]C[3x6]2H)	109.5606	0.103	11	109.6425	0.024	16	109.6017	0.155	49	109.4606	0.559	375	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	N[5]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](N[5]C[5,6a]C[5])(C[6,6]C[3x6]HH)3	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	C[3x6](N[5]C[5,6a]C[5])(C[6,6]C[3x6]HH)3{1|Ir<5>,1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.3668	0.733	12	109.5630	0.332	22	109.6017	0.155	49	109.4606	0.559	375	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	N[5]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](N[5]C[5,6a]C[5])(C[6,6]C[3x6]HH)3	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	C[3x6](N[5]C[5,6a]C[5])(C[6,6]C[3x6]HH)3{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.8595	0.022	4	109.5630	0.332	22	109.6017	0.155	49	109.4606	0.559	375	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	N[5]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](N[5]C[5,6a]C[5])(C[6,6]C[3x6]HH)3	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	C[3x6](N[5]C[5,6a]C[5])(C[6,6]C[3x6]HH)3{1|Pd<4>,1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7577	0.039	6	109.5630	0.332	22	109.6017	0.155	49	109.4606	0.559	375	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	N[5]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](N[5]Si[5,5]N[5])(C[6,6]C[3x6]HH)3	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{1|Si<4>,1|N<2>,2|C<4>,8|H<1>}	C[3x6](N[5]Si[5,5]N[5])(C[6,6]C[3x6]HH)3{1|N<2>,3|C<4>,3|H<1>,3|N<3>}	H(C[6,6]C[3x6]2H)	109.6200	0.069	11	109.6200	0.005	11	109.6017	0.155	49	109.4606	0.559	375	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	N[5a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5a])(C[3x6]C[6,6]2H)(H)2	C[3x6](N[5a]C[5a,6a]C[5a])(C[6,6]C[3x6]HH)3	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5a])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	C[3x6](N[5a]C[5a,6a]C[5a])(C[6,6]C[3x6]HH)3{1|N<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.7155	0.048	4	109.7155	0.002	4	109.8718	0.010	24	109.4606	0.559	375	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	N[5a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5a])(C[3x6]C[6,6]2H)(H)2	C[3x6](N[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)3	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5a])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<2>,2|C<4>,8|H<1>}	C[3x6](N[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)3{1|C<2>,1|C<3>,1|N<2>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.9145	0.072	15	109.9031	0.005	20	109.8718	0.010	24	109.4606	0.559	375	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	N[5a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5a])(C[3x6]C[6,6]2H)(H)2	C[3x6](N[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)3	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5a])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<2>,2|C<4>,8|H<1>}	C[3x6](N[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)3{1|Rh<4>,1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.8686	0.060	5	109.9031	0.005	20	109.8718	0.010	24	109.4606	0.559	375	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	N[6a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[6a])(C[3x6]C[6,6]2H)(H)2	C[3x6](N[6a]C[6a,6a]B[6a])(C[6,6]C[3x6]HH)3	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[6a])(C[3x6]C[6,6]2H)(H)2{1|B<3>,1|C<3>,2|C<4>,8|H<1>}	C[3x6](N[6a]C[6a,6a]B[6a])(C[6,6]C[3x6]HH)3{1|Cl<1>,3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.5457	0.088	6	109.5270	0.011	12	109.5270	0.011	12	109.4606	0.559	375	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	N[6a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[6a])(C[3x6]C[6,6]2H)(H)2	C[3x6](N[6a]C[6a,6a]B[6a])(C[6,6]C[3x6]HH)3	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[6a])(C[3x6]C[6,6]2H)(H)2{1|B<3>,1|C<3>,2|C<4>,8|H<1>}	C[3x6](N[6a]C[6a,6a]B[6a])(C[6,6]C[3x6]HH)3{3|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]2H)	109.5083	0.122	6	109.5270	0.011	12	109.5270	0.011	12	109.4606	0.559	375	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	S[6,6]-3:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]S[6,6]C)(C[3x6]C[4x6]C[6]H)(H)2	C[3x6](S[6,6]C[6,6]C[6a])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]S[6,6]C)(C[3x6]C[4x6]C[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[3x6](S[6,6]C[6,6]C[6a])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(CH3){2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[3x6]2H)	108.9532	0.037	4	108.9532	0.001	4	108.9532	0.001	4	109.4606	0.559	375	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6,6]C[6]2H)(H)2	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6,6]HH)(C[6]C[6]HH)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6,6]C[6]2H)(H)2{2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6,6]HH)(C[6]C[6]HH)2{1|C<4>,4|C<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6065	0.008	2	109.6065	0.000	2	109.6065	0.000	2	109.4606	0.559	375	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	N[6,6]-3:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(H)2	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3){1|B<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4652	0.021	4	109.5666	0.014	21	109.6653	0.040	45	109.4606	0.559	375	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	N[6,6]-3:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(H)2	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3){1|B<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5887	0.128	15	109.5666	0.014	21	109.6653	0.040	45	109.4606	0.559	375	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	N[6,6]-3:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(H)2	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3){1|Se<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6040	0.020	2	109.5666	0.014	21	109.6653	0.040	45	109.4606	0.559	375	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	N[6,6]-3:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2{1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8220	0.000	1	109.7516	0.047	24	109.6653	0.040	45	109.4606	0.559	375	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	N[6,6]-3:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3){1|B<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0478	0.062	6	109.7516	0.047	24	109.6653	0.040	45	109.4606	0.559	375	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	N[6,6]-3:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3){1|B<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6299	0.147	15	109.7516	0.047	24	109.6653	0.040	45	109.4606	0.559	375	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	N[6,6]-3:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3){1|Se<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7405	0.022	2	109.7516	0.047	24	109.6653	0.040	45	109.4606	0.559	375	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:2:2:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:S[6,6]-2:S[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]S[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)(S[6,6]C[3x6])2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]S[6,6]2H)(H)2{2|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)(S[6,6]C[3x6])2(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]2H)	109.0512	0.084	11	109.0512	0.007	11	109.0512	0.007	11	109.0512	0.007	11	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:2:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]O[6,6]O)(C[3x6]O[6,6]2C)(H)2	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])(O[6,6]C[4x6])(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]O[6,6]O)(C[3x6]O[6,6]2C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])(O[6,6]C[4x6])(CH3){2|O<2>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.9440	0.000	1	109.9440	0.000	1	109.4920	0.023	170	109.5083	0.032	175	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:2:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CCHH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Pd<4>,1|C<3>,2|C<4>}	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CCHH){1|O<2>,1|P<4>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.3942	0.029	4	109.3942	0.001	4	109.4920	0.023	170	109.5083	0.032	175	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:2:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|C<3>,2|C<4>}	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<3>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.5547	0.064	40	109.4916	0.022	165	109.4920	0.023	170	109.5083	0.032	175	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:2:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Cl<1>,2|C<4>}	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<3>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.4878	0.071	4	109.4916	0.022	165	109.4920	0.023	170	109.5083	0.032	175	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:2:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Co<4>,1|C<3>,2|C<4>}	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.5187	0.040	4	109.4916	0.022	165	109.4920	0.023	170	109.5083	0.032	175	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:2:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|H<1>,2|C<4>}	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<3>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.6223	0.017	3	109.4916	0.022	165	109.4920	0.023	170	109.5083	0.032	175	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:2:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Ir<4>,1|C<3>,2|C<4>}	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.4450	0.102	8	109.4916	0.022	165	109.4920	0.023	170	109.5083	0.032	175	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:2:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|O<1>,1|P<4>,2|C<4>}	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.5108	0.120	4	109.4916	0.022	165	109.4920	0.023	170	109.5083	0.032	175	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:2:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|O<2>,2|C<4>}	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<3>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.6033	0.035	3	109.4916	0.022	165	109.4920	0.023	170	109.5083	0.032	175	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:2:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|P<3>,2|C<4>}	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<3>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.6484	0.074	7	109.4916	0.022	165	109.4920	0.023	170	109.5083	0.032	175	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:2:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Pd<4>,1|C<3>,2|C<4>}	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.4845	0.051	11	109.4916	0.022	165	109.4920	0.023	170	109.5083	0.032	175	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:2:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Pd<4>,3|C<4>}	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.2463	0.351	10	109.4916	0.022	165	109.4920	0.023	170	109.5083	0.032	175	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:2:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Pd<7>,1|C<3>,2|C<4>}	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.3394	0.143	7	109.4916	0.022	165	109.4920	0.023	170	109.5083	0.032	175	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:2:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Pd<7>,1|O<2>,2|C<4>}	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.5722	0.061	4	109.4916	0.022	165	109.4920	0.023	170	109.5083	0.032	175	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:2:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Pt<4>,1|C<3>,2|C<4>}	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.4552	0.138	26	109.4916	0.022	165	109.4920	0.023	170	109.5083	0.032	175	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:2:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Pt<4>,1|O<2>,2|C<4>}	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.4845	0.098	19	109.4916	0.022	165	109.4920	0.023	170	109.5083	0.032	175	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:2:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Pt<4>,3|C<4>}	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.5195	0.087	4	109.4916	0.022	165	109.4920	0.023	170	109.5083	0.032	175	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:2:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Rh<4>,1|N<3>,2|C<4>}	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.4627	0.071	7	109.4916	0.022	165	109.4920	0.023	170	109.5083	0.032	175	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:2:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{4|C<4>}	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.5680	0.044	4	109.4916	0.022	165	109.4920	0.023	170	109.5083	0.032	175	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:2:2:4:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[3x6]O[6,6]2C)(H)2	C[3x6](C[6,6]C[4x6]HH)(O[6,6]C[3x6])2(CH3)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[3x6]O[6,6]2C)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[4x6]HH)(O[6,6]C[3x6])2(CH3){2|O<2>,4|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	110.2210	0.000	1	110.2210	0.000	1	110.2210	0.000	1	109.5083	0.032	175	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:2:2:4:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]O[6,6]2C)(H)2	C[3x6](C[6,6]C[6,6]HH)(O[6,6]C[5,6,6])2(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]O[6,6]2C)(H)2{1|H<1>,2|C<4>}	C[3x6](C[6,6]C[6,6]HH)(O[6,6]C[5,6,6])2(CH3){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[3x6]C[6,6]H)	109.8425	0.022	2	110.0205	0.043	4	110.0205	0.043	4	109.5083	0.032	175	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:2:2:4:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]O[6,6]2C)(H)2	C[3x6](C[6,6]C[6,6]HH)(O[6,6]C[5,6,6])2(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]O[6,6]2C)(H)2{3|C<4>}	C[3x6](C[6,6]C[6,6]HH)(O[6,6]C[5,6,6])2(CH3){2|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	110.1985	0.030	2	110.0205	0.043	4	110.0205	0.043	4	109.5083	0.032	175	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:2:3:1:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:O[6,6]-2:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,4x6]N[5,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2	C[3x6](C[6,6]C[5,3x6]HH)(O[6,6]C[5,6,6])(C[6,6]C[6,6]H)(H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]C[5,4x6]N[5,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[3x6](C[6,6]C[5,3x6]HH)(O[6,6]C[5,6,6])(C[6,6]C[6,6]H)(H){1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[5,3x6]C[3x6]H)	108.5930	0.721	2	108.5930	0.520	2	108.5930	0.520	2	108.5930	0.520	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CC)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(O[6,6]N[6,6])(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CC)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(O[6,6]N[6,6])(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.9196	0.219	14	109.9196	0.048	14	109.9648	0.182	71	109.9511	0.157	83	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H){1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.1020	0.016	2	110.1020	0.000	2	109.9648	0.182	71	109.9511	0.157	83	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C[5a]C)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C[5a]C)(H)2{1|H<1>,5|C<3>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.8517	0.091	3	109.8517	0.008	3	109.9648	0.182	71	109.9511	0.157	83	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C[6a]C)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C[6a]C)(H)2{1|H<1>,5|C<3>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.5663	0.041	3	109.5663	0.002	3	109.9648	0.182	71	109.9511	0.157	83	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]ClC)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]ClC)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H){1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,1|O<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8641	0.497	22	109.8641	0.247	22	109.9648	0.182	71	109.9511	0.157	83	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.2656	0.373	9	110.2613	0.061	21	109.9648	0.182	71	109.9511	0.157	83	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.2940	0.006	2	110.2613	0.061	21	109.9648	0.182	71	109.9511	0.157	83	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H){1|C<4>,1|C<5>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0505	0.013	2	110.2613	0.061	21	109.9648	0.182	71	109.9511	0.157	83	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.3010	0.010	8	110.2613	0.061	21	109.9648	0.182	71	109.9511	0.157	83	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(H)2{1|H<1>,3|C<3>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8745	0.008	2	109.8745	0.000	2	109.9648	0.182	71	109.9511	0.157	83	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]N[5]H)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]N[5]H)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H){1|C<4>,1|N<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4802	0.826	4	109.4802	0.683	4	109.9648	0.182	71	109.9511	0.157	83	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:2:1:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,3x6]C[6,6]N[5,6])(C[3x6]C[6,6]O[6,6]H)(H)2	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]C[5,3x6]C[6,6]N[5,6])(C[3x6]C[6,6]O[6,6]H)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6,6]C[5,3x6]C[3x6]H)	109.8700	0.055	12	109.8700	0.003	12	109.8700	0.003	12	109.9511	0.157	83	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:2:3:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:N[6,6]-2:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(N[6,6]C[6,6])(C[6a]C[6a]2)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[6,6]C[3x6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(N[6,6]C[6,6])(C[6a]C[6a]2){2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7555	0.021	2	109.7555	0.000	2	109.7555	0.000	2	109.7555	0.000	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:P[6,6]-3:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C[3x6](C[6,6]C[3x6]HH)(P[6,6]C[3x6]Cl)(O[6,6]C[3x6])(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Cl<1>,2|C<4>}	C[3x6](C[6,6]C[3x6]HH)(P[6,6]C[3x6]Cl)(O[6,6]C[3x6])(CH3){2|O<2>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.4982	0.110	4	109.4982	0.012	4	109.5971	0.008	16	109.6091	0.091	37	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:P[6,6]-3:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C[3x6](C[6,6]C[3x6]HH)(P[6,6]C[3x6]H)(O[6,6]C[3x6])(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|H<1>,2|C<4>}	C[3x6](C[6,6]C[3x6]HH)(P[6,6]C[3x6]H)(O[6,6]C[3x6])(CH3){2|O<2>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.6268	0.034	4	109.6268	0.001	4	109.5971	0.008	16	109.6091	0.091	37	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:P[6,6]-3:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C[3x6](C[6,6]C[3x6]HH)(P[6,6]C[3x6]O)(O[6,6]C[3x6])(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|O<2>,2|C<4>}	C[3x6](C[6,6]C[3x6]HH)(P[6,6]C[3x6]O)(O[6,6]C[3x6])(CH3){2|O<2>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.6478	0.081	4	109.6478	0.007	4	109.5971	0.008	16	109.6091	0.091	37	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:P[6,6]-3:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C[3x6](C[6,6]C[3x6]HH)(P[6,6]C[3x6]P)(O[6,6]C[3x6])(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|P<3>,2|C<4>}	C[3x6](C[6,6]C[3x6]HH)(P[6,6]C[3x6]P)(O[6,6]C[3x6])(CH3){2|O<2>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.6155	0.022	4	109.6155	0.000	4	109.5971	0.008	16	109.6091	0.091	37	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:2:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:N[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CC)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(N[6,6]C[6,6])(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CC)(H)2{2|C<2>,2|C<3>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(N[6,6]C[6,6])(CH3){1|N<3>,1|O<2>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.4305	0.016	2	109.4305	0.000	2	109.4305	0.000	2	109.6091	0.091	37	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:2:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(CH3){1|C<3>,1|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	108.8710	0.054	2	108.8710	0.003	2	109.6379	0.171	19	109.6091	0.091	37	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:2:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(CCCH)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(CCCH){1|C<4>,1|C<5>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.2102	0.062	5	110.2102	0.004	5	109.6379	0.171	19	109.6091	0.091	37	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:2:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HO)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HO)(H)2{1|N<3>,3|C<3>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(CH3){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4437	0.049	6	109.4437	0.002	6	109.6379	0.171	19	109.6091	0.091	37	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:2:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]N[5]H)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]N[5]H)(H)2{1|C<4>,1|N<3>,4|C<3>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(CH3){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6110	0.031	6	109.6110	0.001	6	109.6379	0.171	19	109.6091	0.091	37	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,6|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){2|C<4>,5|H<1>}	H(C[6,6]C[3x6]2H)	109.5055	0.039	2	109.5055	0.002	2	109.8423	0.071	11	109.8009	0.117	69	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.9720	0.016	2	110.0297	0.005	7	109.8423	0.071	11	109.8009	0.117	69	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(C[6,6]C[6,6]C)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	110.0528	0.068	5	110.0297	0.005	7	109.8423	0.071	11	109.8009	0.117	69	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]H)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]H)2(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.5230	0.035	2	109.5230	0.001	2	109.8423	0.071	11	109.8009	0.117	69	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2O)(C[3x6]N[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)(N[6,6]C[3x6]N)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2O)(C[3x6]N[6,6]2H)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)(N[6,6]C[3x6]N)2(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]2H)	110.0558	0.114	6	110.0558	0.013	6	110.0558	0.013	6	109.8009	0.117	69	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6402	0.044	4	109.6402	0.002	4	109.6256	0.066	10	109.8009	0.117	69	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.1735	0.019	2	109.1735	0.000	2	109.6256	0.066	10	109.8009	0.117	69	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|N<3>,2|O<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(H){1|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8250	0.023	2	109.8370	0.000	4	109.6256	0.066	10	109.8009	0.117	69	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|N<3>,2|O<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(H){1|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8490	0.011	2	109.8370	0.000	4	109.6256	0.066	10	109.8009	0.117	69	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]CH)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	110.0540	0.025	2	110.0540	0.001	2	109.8131	0.132	21	109.8009	0.117	69	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8075	0.008	2	109.8075	0.000	2	109.8131	0.132	21	109.8009	0.117	69	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]S)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]S)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7090	0.033	2	109.9627	0.086	4	109.8131	0.132	21	109.8009	0.117	69	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]S)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]S)(H){1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.2165	0.008	2	109.9627	0.086	4	109.8131	0.132	21	109.8009	0.117	69	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H){1|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5863	0.418	9	109.5863	0.175	9	109.8131	0.132	21	109.8009	0.117	69	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(N[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(N[6,6]C[6,6]C)(H){1|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.1995	0.028	2	110.1995	0.001	2	109.8131	0.132	21	109.8009	0.117	69	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N[5]H)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N[5]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.9130	0.048	2	109.9130	0.002	2	109.8131	0.132	21	109.8009	0.117	69	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:3:1:	4:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]N[6,6]2H)(N[3x6]C[6,6]2C)(H)2	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]H)2(H)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]N[6,6]2H)(N[3x6]C[6,6]2C)(H)2{2|C<4>,6|H<1>}	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]H)2(H){1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]N[3x6]H)	109.9607	0.038	3	109.9607	0.001	3	109.9607	0.001	3	109.8009	0.117	69	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,3x6]C[5,4x6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,4x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[5,3x6]C[3x6]H)	110.2400	0.020	2	110.2400	0.000	2	110.2400	0.000	2	109.8009	0.117	69	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[5,6,6]C[3x6]H)	109.5460	0.000	1	109.5460	0.000	1	109.9246	0.113	10	109.8009	0.117	69	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[5,6,6]C[3x6]H)	110.3067	0.024	4	110.3067	0.001	4	109.9246	0.113	10	109.8009	0.117	69	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]H)(H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6,6]C[5,6,6]C[3x6]H)	109.6946	0.080	5	109.6946	0.006	5	109.9246	0.113	10	109.8009	0.117	69	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:3:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:Cl-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2Cl)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(C[6,6]C[6,6]O)(Cl)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2Cl)(H)2{2|Cl<1>,1|O<1>,4|C<3>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(C[6,6]C[6,6]O)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.2870	0.064	6	109.2870	0.004	6	109.2870	0.004	6	109.8009	0.117	69	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:3:2:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:O-2:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2O)(H)2	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(OSi)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2O)(H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(OSi){2|C<4>,5|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	109.7080	0.028	2	109.7080	0.001	2	109.5777	0.023	4	109.5777	0.023	4	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:3:2:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:O-2:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2O)(H)2	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]H)(OC)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2O)(H)2{1|C<3>,1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]H)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6,6]C[5,6,6]C[3x6]H)	109.4475	0.035	2	109.4475	0.001	2	109.5777	0.023	4	109.5777	0.023	4	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:3:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]H)2(NHH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<3>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]H)2(NHH){1|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	90.7148	22.630	2	90.7148	512.138	2	90.7148	512.138	2	107.0345	87.267	14	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:3:3:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]2)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]2){1|O<1>,4|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6355	0.065	4	109.6355	0.004	4	109.6355	0.004	4	107.0345	87.267	14	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:3:3:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6a])(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(C[6a]C[6a]2)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C[6a])(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,2|N<3>,2|O<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(C[6a]C[6a]2){1|C<4>,2|C<3>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5053	0.044	4	109.5053	0.002	4	109.5053	0.002	4	107.0345	87.267	14	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:3:3:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]N[6,6]2C[6a])(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(C[6a]C[6a]2)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]N[6,6]2C[6a])(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(C[6a]C[6a]2){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.1965	0.005	2	110.1227	0.007	4	110.1227	0.007	4	107.0345	87.267	14	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:3:3:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]N[6,6]2C[6a])(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(C[6a]C[6a]2)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]N[6,6]2C[6a])(C[6,6]C[3x6]HH)(H)2{3|H<1>,4|C<3>}	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(C[6a]C[6a]2){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0490	0.007	2	110.1227	0.007	4	110.1227	0.007	4	107.0345	87.267	14	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:3:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2C)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(C[6,6]C[4x6]O)(CCHH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2C)(H)2{1|H<1>,2|O<1>,5|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(C[6,6]C[4x6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.5203	0.089	3	109.5203	0.008	3	109.1628	0.508	9	109.6388	0.206	52	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:3:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)2(CCHH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|O<2>,2|O<1>,4|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)2(CCHH){1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[3x6]2H)	108.7618	0.979	4	108.9840	0.694	6	109.1628	0.508	9	109.6388	0.206	52	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:3:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)2(CCHH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{1|H<1>,2|O<1>,5|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)2(CCHH){1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.4285	0.026	2	108.9840	0.694	6	109.1628	0.508	9	109.6388	0.206	52	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:3:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6,6]O[6,6]C)(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6,6]O[6,6]C)(CH3){1|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8545	0.442	2	109.8545	0.195	2	109.5561	0.048	10	109.6388	0.206	52	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:3:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(CCHH)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|N<3>,2|O<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(CCHH){1|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5225	0.013	4	109.5225	0.000	4	109.5561	0.048	10	109.6388	0.206	52	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:3:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(CC[6a]HH)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|N<3>,2|O<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(CC[6a]HH){1|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4345	0.012	2	109.4405	0.000	4	109.5561	0.048	10	109.6388	0.206	52	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:3:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(CC[6a]HH)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|N<3>,2|O<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(CC[6a]HH){1|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4465	0.005	2	109.4405	0.000	4	109.5561	0.048	10	109.6388	0.206	52	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:3:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]2C)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]2C){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4987	0.113	3	109.4987	0.013	3	109.4987	0.013	3	109.6388	0.206	52	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:3:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]N[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(CCHH)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]N[6,6]2C)(C[6,6]C[3x6]HH)(H)2{2|H<1>,3|C<3>}	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(CCHH){1|C<4>,2|H<1>,2|O<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0650	0.032	4	110.0650	0.001	4	110.1114	0.002	11	109.6388	0.206	52	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:3:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]N[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]N[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(CH3){1|C<4>,2|H<1>,2|O<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.1428	0.026	5	110.1379	0.001	7	110.1114	0.002	11	109.6388	0.206	52	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:3:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]N[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]N[6,6]2C)(C[6,6]C[3x6]HH)(H)2{2|C<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(CH3){1|C<4>,2|H<1>,2|O<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.1255	0.015	2	110.1379	0.001	7	110.1114	0.002	11	109.6388	0.206	52	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:3:4:	4:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2C)(H)2	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2C)(H)2{1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3){1|N<3>,5|C<4>}	H(C[6,6]C[3x6]N[3x6]H)	109.4883	0.055	3	109.5256	0.005	5	109.7345	0.032	13	109.6388	0.206	52	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:3:4:	4:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2C)(H)2	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2C)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3){1|N<3>,5|C<4>}	H(C[6,6]C[3x6]N[3x6]H)	109.5815	0.063	2	109.5256	0.005	5	109.7345	0.032	13	109.6388	0.206	52	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:3:4:	4:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2H)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3){1|H<1>,1|N<3>,4|C<4>}	H(C[6,6]C[3x6]N[3x6]H)	109.8650	0.046	8	109.8650	0.002	8	109.7345	0.032	13	109.6388	0.206	52	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:3:4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[6,6]2C)(H)2	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]O)(CCHH)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[6,6]2C)(H)2{1|H<1>,1|O<2>,2|O<1>,4|C<4>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]O)(CCHH){1|C<3>,6|C<4>}	H(C[6,6]C[5,6,6]C[3x6]H)	109.0085	0.036	2	109.0085	0.001	2	109.4872	0.138	6	109.6388	0.206	52	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:3:4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(H)2	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(CH3)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(CH3){1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	109.7265	0.026	4	109.7265	0.001	4	109.4872	0.138	6	109.6388	0.206	52	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[4x6]C[6,6]H)(H)2	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[4x6]C[6,6]H)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[3x6]2H)	109.5670	0.081	3	109.5670	0.007	3	109.5670	0.007	3	109.6680	0.102	26	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[3x6]C[6,6a]C[4x6]H)(H)2	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[3x6]C[6,6a]C[4x6]H)(H)2{1|C<4>,3|H<1>,5|C<3>}	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(H){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[3x6]2H)	109.7198	0.034	6	109.7198	0.001	6	109.7198	0.001	6	109.6680	0.102	26	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[3x6]C[3x6]S[6]H)(C[3x6]C[3x6]C[6])(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[3x6](C[3x6]C[3x6]S[6]H)(C[3x6]C[3x6]C[6])(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8063	0.024	3	109.8063	0.001	3	109.8063	0.001	3	109.6680	0.102	26	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8915	0.023	2	109.8402	0.004	4	109.8402	0.004	4	109.6680	0.102	26	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7890	0.011	2	109.8402	0.004	4	109.8402	0.004	4	109.6680	0.102	26	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.8200	0.021	2	109.8200	0.000	2	109.8200	0.000	2	109.6680	0.102	26	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2	C[3x6](C[4x6]C[5,4x6]C[3x6]H)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[3x6](C[4x6]C[5,4x6]C[3x6]H)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]HH)(H){1|Cl<1>,4|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	110.0530	0.018	2	110.0530	0.000	2	110.0530	0.000	2	109.6680	0.102	26	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5,6]Ru)(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{1|Ru<10>,1|H<1>,2|C<3>,2|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5,6]Ru)(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(H){3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	108.6865	0.088	2	108.6865	0.008	2	108.6865	0.008	2	109.6680	0.102	26	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]HO)(H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|O<1>,3|O<2>,4|C<4>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]HO)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[5,6,6]C[3x6]H)	109.6125	0.075	4	109.6125	0.006	4	109.6125	0.006	4	109.6680	0.102	26	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]N[6,6]C)(C[3x6]C[6,6a]C[4x6]C)(H)2	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6,6a]N[6,6]C)(C[3x6]C[6,6a]C[4x6]C)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|O<2>,3|C<3>}	H(C[6,6]C[3x6]2H)	109.3785	0.011	2	109.3785	0.000	2	109.6192	0.077	4	109.5054	0.123	5	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[3x6]C[6,6a]C[4x6]C)(H)2	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[3x6]C[6,6a]C[4x6]C)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(CH3){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	H(C[6,6]C[3x6]2H)	109.8600	0.007	2	109.8600	0.000	2	109.6192	0.077	4	109.5054	0.123	5	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:3:4:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]2C)(C[6,6]C[3x6]CC)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]2C)(C[6,6]C[3x6]CC)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(CH3){1|C<3>,1|N<3>,1|O<1>,3|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.0500	0.000	1	109.0500	0.000	1	109.0500	0.000	1	109.5054	0.123	5	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:Br-1:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(Br)(H)	C[3x6](C[6,6]C[3x6]BrH)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2Br)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(Br)(H){1|S<4>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]BrH)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(H){1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]2Br)	107.9100	0.000	1	107.9100	0.000	1	107.9100	0.000	1	109.6722	0.518	130	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2	C[3x6](C[3x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[3x6](C[3x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(H){2|H<1>,2|O<2>,5|C<4>}	H(C[6,6]C[3x6]2H)	110.2460	0.028	2	110.2279	0.001	7	110.2350	0.001	9	109.6722	0.518	130	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2	C[3x6](C[3x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2{2|H<1>,4|C<4>}	C[3x6](C[3x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(H){2|H<1>,2|O<2>,5|C<4>}	H(C[6,6]C[3x6]2H)	110.2206	0.024	5	110.2279	0.001	7	110.2350	0.001	9	109.6722	0.518	130	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2	C[3x6](C[3x6]C[4x6]C[6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2{2|H<1>,4|C<4>}	C[3x6](C[3x6]C[4x6]C[6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(H){2|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	110.2600	0.004	2	110.2600	0.000	2	110.2350	0.001	9	109.6722	0.518	130	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]O[6]H)(H)2	C[3x6](C[4x6]C[4x6]C[6,6]Br)(C[6,6]C[3x6]HH)(O[6]C[6])(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]O[6]H)(H)2{1|Br<1>,2|C<3>,2|C<4>}	C[3x6](C[4x6]C[4x6]C[6,6]Br)(C[6,6]C[3x6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.6070	0.023	2	109.6070	0.001	2	109.6594	0.019	5	109.6722	0.518	130	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]O[6]H)(C[3x6]C[6,6]2C)(H)2	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(O[6]C[6,6a])(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]O[6]H)(C[3x6]C[6,6]2C)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(O[6]C[6,6a])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]2H)	109.5885	0.026	2	109.5885	0.001	2	109.6594	0.019	5	109.6722	0.518	130	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]O[6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(O[6]C[6,6a])(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]O[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(O[6]C[6,6a])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.9060	0.000	1	109.9060	0.000	1	109.6594	0.019	5	109.6722	0.518	130	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,3x6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2{1|C<3>,7|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.6870	0.020	2	109.6870	0.000	2	109.6870	0.000	2	109.6722	0.518	130	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH)(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH)(O[6,6]C[3x6])(H){1|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[3x6]2H)	110.2880	0.013	2	110.2571	0.001	7	110.0932	0.054	33	109.6722	0.518	130	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH)(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2{2|H<1>,4|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH)(O[6,6]C[3x6])(H){1|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[3x6]2H)	110.2417	0.023	3	110.2571	0.001	7	110.0932	0.054	33	109.6722	0.518	130	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH)(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2{2|H<1>,4|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH)(O[6,6]C[3x6])(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[3x6]2H)	110.2495	0.009	2	110.2571	0.001	7	110.0932	0.054	33	109.6722	0.518	130	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2	C[3x6](C[6,6]C[3x6]BrH)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2{2|Br<1>,1|S<4>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[3x6]BrH)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(H){1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	110.0938	0.077	4	110.0938	0.006	4	110.0932	0.054	33	109.6722	0.518	130	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(H)2	C[3x6](C[6,6]C[3x6]HH)2(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(H)2{4|C<4>,5|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(O[6,6]C[3x6])(H){1|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.9607	0.066	3	109.9607	0.004	3	110.0932	0.054	33	109.6722	0.518	130	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]C)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]C)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.7022	0.078	4	109.7022	0.006	4	110.0932	0.054	33	109.6722	0.518	130	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[4x6])(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2{4|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[4x6])(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.8110	0.087	4	109.8110	0.008	4	110.0932	0.054	33	109.6722	0.518	130	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[6,6]O[6,6]O)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[6,6]O[6,6]O)(H)2{2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|H<1>,2|C<4>,3|O<2>}	H(C[6,6]C[3x6]2H)	110.2207	0.100	8	110.2207	0.010	8	110.0932	0.054	33	109.6722	0.518	130	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(H)2	C[3x6](C[6,6]C[3x6]HH)2(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(H)2{2|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(O[6,6]C[3x6])(H){1|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[3x6]2H)	110.4000	0.025	3	110.4000	0.001	3	110.0932	0.054	33	109.6722	0.518	130	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:H-1:I-1:	C[4x6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]O[6]H)(C[3x6]C[6,6]2H)(H)(I)	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HI)(O[6]C[6])(H)	H(C[6,6]C[3x6]2I)	C[6,6](C[3x6]C[4x6]O[6]H)(C[3x6]C[6,6]2H)(H)(I){1|C<3>,2|C<4>,5|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HI)(O[6]C[6])(H){1|O<1>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2I)	107.6120	0.000	1	107.6120	0.000	1	107.6120	0.000	1	109.6722	0.518	130	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[4,6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]O[6]H)(C[4,6,6]C[4,6]2H)(H)2	C[3x6](C[3x6]C[4,6,6]C[6]C)(C[6,6]C[4,6,6]HH)(O[6]C[6])(H)	H(C[6,6]C[4,6,6]C[3x6]H)	C[6,6](C[3x6]C[3x6]O[6]H)(C[4,6,6]C[4,6]2H)(H)2{2|H<1>,6|C<4>}	C[3x6](C[3x6]C[4,6,6]C[6]C)(C[6,6]C[4,6,6]HH)(O[6]C[6])(H){1|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[4,6,6]C[3x6]H)	108.6285	0.112	4	108.6285	0.012	4	108.8008	0.079	6	109.6722	0.518	130	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[4,6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]O[6]H)(C[4,6,6]C[4,6]2H)(H)2	C[3x6](C[3x6]C[4,6,6]C[6]O)(C[6,6]C[4,6,6]HH)(O[6]C[6])(H)	H(C[6,6]C[4,6,6]C[3x6]H)	C[6,6](C[3x6]C[3x6]O[6]H)(C[4,6,6]C[4,6]2H)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[3x6]C[4,6,6]C[6]O)(C[6,6]C[4,6,6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[4,6,6]C[3x6]H)	109.1455	0.059	2	109.1455	0.003	2	108.8008	0.079	6	109.6722	0.518	130	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[4,6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:S[6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]S[6]H)(C[4,6,6]C[4,6]2H)(H)2	C[3x6](C[3x6]C[4,6,6]S[6]C)(C[6,6]C[4,6,6]HH)(S[6]C[5,6])(H)	H(C[6,6]C[4,6,6]C[3x6]H)	C[6,6](C[3x6]C[3x6]S[6]H)(C[4,6,6]C[4,6]2H)(H)2{1|C<3>,1|S<2>,2|H<1>,4|C<4>}	C[3x6](C[3x6]C[4,6,6]S[6]C)(C[6,6]C[4,6,6]HH)(S[6]C[5,6])(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[3x6]H)	108.9925	0.176	2	108.9925	0.031	2	108.9925	0.031	2	109.6722	0.518	130	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[4x6]2H)(H)2	C[3x6](C[6,6]C[4x6]HH)2(O[6,6]C[4x6])(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[4x6]2H)(H)2{4|C<4>,4|H<1>}	C[3x6](C[6,6]C[4x6]HH)2(O[6,6]C[4x6])(H){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	109.8210	0.897	5	109.8210	0.804	5	109.0983	1.022	11	109.6722	0.518	130	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[4x6]3)(H)2	C[3x6](C[6,6]C[4x6]HH)2(O[6,6]C[4x6])(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[4x6]3)(H)2{4|H<1>,7|C<4>}	C[3x6](C[6,6]C[4x6]HH)2(O[6,6]C[4x6])(H){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	108.4960	0.666	6	108.4960	0.443	6	109.0983	1.022	11	109.6722	0.518	130	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:N[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[4,6,6]C[4,6,6]C[4,4]H)(C[6,6]C[6,6]HH)(N[6,6]N[6,6])(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|N<2>,2|C<4>,2|H<1>}	C[3x6](C[4,6,6]C[4,6,6]C[4,4]H)(C[6,6]C[6,6]HH)(N[6,6]N[6,6])(H){3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.1145	0.984	4	109.1145	0.968	4	109.1145	0.968	4	109.6722	0.518	130	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8710	0.004	2	109.8710	0.000	2	109.4862	0.608	26	109.6722	0.518	130	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	107.0415	1.428	2	107.0415	2.038	2	109.4862	0.608	26	109.6722	0.518	130	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7028	0.061	6	109.6694	0.007	21	109.4862	0.608	26	109.6722	0.518	130	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6993	0.058	6	109.6694	0.007	21	109.4862	0.608	26	109.6722	0.518	130	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,4|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7420	0.014	2	109.6694	0.007	21	109.4862	0.608	26	109.6722	0.518	130	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7090	0.000	1	109.6694	0.007	21	109.4862	0.608	26	109.6722	0.518	130	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5752	0.064	6	109.6694	0.007	21	109.4862	0.608	26	109.6722	0.518	130	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2	C[3x6](C[5,6,6]C[5,3x6]C[5]O)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2{1|O<2>,2|C<3>,2|C<4>}	C[3x6](C[5,6,6]C[5,3x6]C[5]O)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7600	0.000	1	109.7600	0.000	1	109.4862	0.608	26	109.6722	0.518	130	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(O[6,6]C[6,6])(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(O[6,6]C[6,6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8730	0.013	2	109.8730	0.000	2	109.7906	0.395	21	109.6722	0.518	130	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(H)2	C[3x6](C[6,6]O[6,6]N[6a]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[3x6](C[6,6]O[6,6]N[6a]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6365	0.797	12	109.6365	0.636	12	109.7906	0.395	21	109.6722	0.518	130	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]HH)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[4x6])(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]HH)(H)2{2|H<1>,3|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[4x6])(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.1760	0.057	4	110.1760	0.003	4	109.7906	0.395	21	109.6722	0.518	130	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]HH)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.8383	0.040	3	109.8383	0.002	3	109.7906	0.395	21	109.6722	0.518	130	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH)(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH)(O[6,6]C[3x6])(H){1|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	109.9860	0.054	2	109.9839	0.007	7	109.9839	0.007	7	109.6722	0.518	130	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH)(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH)(O[6,6]C[3x6])(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[3x6]C[4x6]H)	110.1090	0.000	1	109.9839	0.007	7	109.9839	0.007	7	109.6722	0.518	130	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH)(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(H)2{4|H<1>,5|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH)(O[6,6]C[3x6])(H){1|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	109.9515	0.080	4	109.9839	0.007	7	109.9839	0.007	7	109.6722	0.518	130	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6a]C[4x6]C[5,6])(C[3x6]C[3x6]O[6,6]H)(H)2	C[3x6](C[3x6]C[4x6]C[6]C)(C[6,6]C[5,3x6]HH)(O[6,6]C[6,6])(H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]C[5,6a]C[4x6]C[5,6])(C[3x6]C[3x6]O[6,6]H)(H)2{1|H<1>,1|N<2>,3|C<4>,4|C<3>}	C[3x6](C[3x6]C[4x6]C[6]C)(C[6,6]C[5,3x6]HH)(O[6,6]C[6,6])(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[5,3x6]C[3x6]H)	109.7720	0.061	2	109.7720	0.004	2	109.7720	0.004	2	109.6722	0.518	130	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]O[6,6]O)(C[3x6]O[6,6]2C)(H)2	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(OH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]O[6,6]O)(C[3x6]O[6,6]2C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(OH){1|C<3>,1|O<1>,2|O<2>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.9490	0.014	2	109.9490	0.000	2	109.9490	0.000	2	109.7137	1.170	60	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[6,6]O[6,6]O)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(OH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[6,6]O[6,6]O)(H)2{2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(OH){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[3x6]2H)	110.2303	0.116	7	110.2303	0.013	7	109.8201	0.081	24	109.7137	1.170	60	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[3x6])(OC)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[3x6])(OC){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6686	0.112	5	109.6686	0.013	5	109.8201	0.081	24	109.7137	1.170	60	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[4x6])(OC)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[4x6])(OC){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7110	0.028	2	109.6439	0.006	12	109.8201	0.081	24	109.7137	1.170	60	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[4x6])(OC)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[4x6])(OC){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6305	0.076	10	109.6439	0.006	12	109.8201	0.081	24	109.7137	1.170	60	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:2:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(OH)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2{1|C<3>,4|C<4>}	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(OH){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6568	0.031	4	109.7000	0.005	6	109.7000	0.005	6	109.7137	1.170	60	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:2:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(OH)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2{2|C<3>,3|C<4>}	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(OH){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7865	0.018	2	109.7000	0.005	6	109.7000	0.005	6	109.7137	1.170	60	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:2:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-2:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6])(OC)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|C<2>}	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6])(OC){1|C<4>,2|C<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	104.6070	3.151	2	104.6070	9.928	2	104.6070	9.928	2	109.7137	1.170	60	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:2:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(OH)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[3x6]HH)(H)2{1|H<1>,4|C<4>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(OH){3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7103	0.045	4	109.7103	0.002	4	110.0680	0.038	24	109.7137	1.170	60	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:2:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(OH)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2{5|C<4>}	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(OH){2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9860	0.000	1	109.9860	0.000	1	110.0680	0.038	24	109.7137	1.170	60	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:2:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[3x6])(OC)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2{2|H<1>,3|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[3x6])(OC){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.1338	0.127	6	110.1338	0.016	6	110.0680	0.038	24	109.7137	1.170	60	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:2:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[4x6])(OC)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2{2|H<1>,3|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[4x6])(OC){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0873	0.066	3	110.1541	0.013	13	110.0680	0.038	24	109.7137	1.170	60	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:2:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[4x6])(OC)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2{2|H<1>,3|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[4x6])(OC){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.1741	0.119	10	110.1541	0.013	13	110.0680	0.038	24	109.7137	1.170	60	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:2:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:O[6]-2:O-2:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[3x6]C[5,4x6]O[6]O)(H)2	C[3x6](C[5,4x6]C[5,5,3x6]C[6,6]N[5])(C[6,6]C[4x6]HH)(O[6]C[6])(OH)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[3x6]C[5,4x6]O[6]O)(H)2{1|C<3>,2|N<3>,3|C<4>,5|H<1>}	C[3x6](C[5,4x6]C[5,5,3x6]C[6,6]N[5])(C[6,6]C[4x6]HH)(O[6]C[6])(OH){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	109.0965	0.009	2	109.0965	0.000	2	109.0965	0.000	2	109.7137	1.170	60	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-2:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[3x6]C[4x6]C[6]H)(H)2	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[6,6])(C[6a]C[6a]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[3x6]C[4x6]C[6]H)(H)2{1|C<4>,4|C<3>,5|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[6,6])(C[6a]C[6a]2){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]2H)	109.5775	0.009	2	109.5026	0.010	5	109.6229	0.019	11	109.6004	0.022	16	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-2:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[3x6]C[4x6]C[6]H)(H)2	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[6,6])(C[6a]C[6a]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[3x6]C[4x6]C[6]H)(H)2{1|C<4>,4|C<3>,5|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[6,6])(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.3950	0.031	2	109.5026	0.010	5	109.6229	0.019	11	109.6004	0.022	16	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-2:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[3x6]C[4x6]C[6]H)(H)2	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[6,6])(C[6a]C[6a]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[3x6]C[4x6]C[6]H)(H)2{2|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[6,6])(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.5680	0.000	1	109.5026	0.010	5	109.6229	0.019	11	109.6004	0.022	16	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-2:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[3x6]C[6,6a]C[4x6]H)(H)2	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[6,6])(C[6a]C[6a]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[3x6]C[6,6a]C[4x6]H)(H)2{1|C<4>,3|H<1>,5|C<3>}	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[6,6])(C[6a]C[6a]2){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]2H)	109.6920	0.006	2	109.7232	0.003	6	109.6229	0.019	11	109.6004	0.022	16	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-2:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[3x6]C[6,6a]C[4x6]H)(H)2	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[6,6])(C[6a]C[6a]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[3x6]C[6,6a]C[4x6]H)(H)2{1|C<4>,3|H<1>,5|C<3>}	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[6,6])(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.7387	0.066	4	109.7232	0.003	6	109.6229	0.019	11	109.6004	0.022	16	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:3:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[3x6]CC)(H)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(C[6a]C[6a]2)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[3x6]CC)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(C[6a]C[6a]2){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.3555	0.032	2	109.3555	0.001	2	109.5510	0.032	5	109.6004	0.022	16	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:3:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(O[6,6]O[6,6])(C[6a]C[6a]2)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(O[6,6]O[6,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6813	0.008	3	109.6813	0.000	3	109.5510	0.032	5	109.6004	0.022	16	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]C)(H)2	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CCHH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]C)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CCHH){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7540	0.044	2	109.7082	0.004	4	109.7082	0.004	4	109.3816	0.337	121	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]C)(H)2	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CCHH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]C)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CCHH){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6625	0.029	2	109.7082	0.004	4	109.7082	0.004	4	109.3816	0.337	121	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(H)2	C[3x6](C[6,6]C[3x6]HH)2(O[6,6]C[3x6])(C[6]C[6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(H)2{4|C<4>,5|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(O[6,6]C[3x6])(C[6]C[6]2H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[3x6]2H)	109.9908	0.054	4	109.9908	0.003	4	109.9908	0.003	4	109.3816	0.337	121	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:P[6,6]-4:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C[3x6](C[6,6]C[3x6]HH)(P[6,6]C[3x6]CC)(O[6,6]C[3x6])(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{4|C<4>}	C[3x6](C[6,6]C[3x6]HH)(P[6,6]C[3x6]CC)(O[6,6]C[3x6])(CH3){2|O<2>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.5443	0.025	3	109.5443	0.001	3	109.5443	0.001	3	109.3816	0.337	121	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C[3x6](P[6,6]C[3x6]C[6]Pd)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Pd<4>,3|C<4>}	C[3x6](P[6,6]C[3x6]C[6]Pd)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){1|H<1>,2|O<2>,6|C<4>}	H(C[6,6]C[3x6]2H)	109.4903	0.051	4	109.4903	0.003	4	109.4453	0.028	104	109.3816	0.337	121	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C[3x6](P[6,6]C[3x6]C[6a]Co)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Co<4>,1|C<3>,2|C<4>}	C[3x6](P[6,6]C[3x6]C[6a]Co)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){2|C<3>,2|O<2>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.5448	0.017	4	109.5448	0.000	4	109.4453	0.028	104	109.3816	0.337	121	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C[3x6](P[6,6]C[3x6]C[6a]Ir)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Ir<4>,1|C<3>,2|C<4>}	C[3x6](P[6,6]C[3x6]C[6a]Ir)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){2|C<3>,2|O<2>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.4566	0.045	5	109.4566	0.002	5	109.4453	0.028	104	109.3816	0.337	121	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C[3x6](P[6,6]C[3x6]C[6a]Pd)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CCHH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Pd<4>,1|C<3>,2|C<4>}	C[3x6](P[6,6]C[3x6]C[6a]Pd)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CCHH){2|C<3>,2|O<2>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.3737	0.066	3	109.3737	0.004	3	109.4453	0.028	104	109.3816	0.337	121	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C[3x6](P[6,6]C[3x6]C[6a]Pd)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Pd<4>,1|C<3>,2|C<4>}	C[3x6](P[6,6]C[3x6]C[6a]Pd)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){2|C<3>,2|O<2>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.5140	0.053	10	109.4528	0.010	17	109.4453	0.028	104	109.3816	0.337	121	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C[3x6](P[6,6]C[3x6]C[6a]Pd)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Pd<7>,1|C<3>,2|C<4>}	C[3x6](P[6,6]C[3x6]C[6a]Pd)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){2|C<3>,2|O<2>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.3654	0.092	7	109.4528	0.010	17	109.4453	0.028	104	109.3816	0.337	121	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C[3x6](P[6,6]C[3x6]C[6a]Pt)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Pt<4>,1|C<3>,2|C<4>}	C[3x6](P[6,6]C[3x6]C[6a]Pt)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){1|C<3>,1|N<2>,2|O<2>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.3907	0.115	11	109.4564	0.015	23	109.4453	0.028	104	109.3816	0.337	121	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C[3x6](P[6,6]C[3x6]C[6a]Pt)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Pt<4>,1|C<3>,2|C<4>}	C[3x6](P[6,6]C[3x6]C[6a]Pt)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){2|C<3>,2|O<2>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.5167	0.102	12	109.4564	0.015	23	109.4453	0.028	104	109.3816	0.337	121	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C[3x6](P[6,6]C[3x6]N[6]Rh)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Rh<4>,1|N<3>,2|C<4>}	C[3x6](P[6,6]C[3x6]N[6]Rh)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){1|C<3>,2|O<2>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.4633	0.059	8	109.4633	0.004	8	109.4453	0.028	104	109.3816	0.337	121	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C[3x6](P[6,6]C[3x6]P[6,6]O)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|O<1>,1|P<4>,2|C<4>}	C[3x6](P[6,6]C[3x6]P[6,6]O)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){1|O<1>,2|O<2>,6|C<4>}	H(C[6,6]C[3x6]2H)	109.4875	0.160	4	109.4875	0.026	4	109.4453	0.028	104	109.3816	0.337	121	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C[3x6](P[6,6]C[3x6]PdC)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Pd<4>,3|C<4>}	C[3x6](P[6,6]C[3x6]PdC)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){2|O<2>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.1100	0.350	8	109.1100	0.122	8	109.4453	0.028	104	109.3816	0.337	121	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C[3x6](P[6,6]C[3x6]PdO)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Pd<7>,1|O<2>,2|C<4>}	C[3x6](P[6,6]C[3x6]PdO)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){2|O<2>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.5427	0.086	3	109.5427	0.007	3	109.4453	0.028	104	109.3816	0.337	121	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C[3x6](P[6,6]C[3x6]PtC)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Pt<4>,1|C<3>,2|C<4>}	C[3x6](P[6,6]C[3x6]PtC)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){2|O<2>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.6707	0.092	3	109.5730	0.017	7	109.4453	0.028	104	109.3816	0.337	121	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C[3x6](P[6,6]C[3x6]PtC)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Pt<4>,3|C<4>}	C[3x6](P[6,6]C[3x6]PtC)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){2|O<2>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.4998	0.106	4	109.5730	0.017	7	109.4453	0.028	104	109.3816	0.337	121	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C[3x6](P[6,6]C[3x6]PtO)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Pt<4>,1|O<2>,2|C<4>}	C[3x6](P[6,6]C[3x6]PtO)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){2|O<2>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.4666	0.107	18	109.4666	0.011	18	109.4453	0.028	104	109.3816	0.337	121	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6])(CCCH)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6])(CCCH){1|C<3>,1|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4850	0.000	1	109.4850	0.000	1	109.4850	0.000	1	109.3816	0.337	121	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(CH3){3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8100	0.000	1	109.8100	0.000	1	107.1898	2.755	5	109.3816	0.337	121	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:2:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(O[6,6]C[6,6])(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(H)2{2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(O[6,6]C[6,6])(CH3){3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	106.5348	0.901	4	106.5348	0.812	4	107.1898	2.755	5	109.3816	0.337	121	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:Br-1:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(Br)(H)	C[3x6](C[6,6]C[3x6]BrH)(C[6,6]C[3x6]HH)(N[6,6]C[3x6]S)(H)	H(C[6,6]C[3x6]2Br)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(Br)(H){1|S<4>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]BrH)(C[6,6]C[3x6]HH)(N[6,6]C[3x6]S)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]2Br)	108.0260	0.209	2	108.0260	0.044	2	108.0260	0.044	2	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[4x6]C[6,6]H)(H)2	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[4x6]C[6,6]H)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.5455	0.057	4	109.5455	0.003	4	109.5433	0.003	6	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(H){1|O<1>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.5390	0.058	2	109.5390	0.003	2	109.5433	0.003	6	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]O)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(C[6,6]C[3x6]2H)	109.6465	0.023	2	109.6465	0.001	2	109.6465	0.001	2	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[4x6]C[6,6]H)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[4x6]C[6,6]H)(H)2{1|H<1>,2|C<3>,6|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.4490	0.123	4	109.4825	0.020	8	109.3824	0.215	14	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[4x6]C[6,6]H)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[4x6]C[6,6]H)(H)2{1|H<1>,2|C<3>,6|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.5160	0.167	4	109.4825	0.020	8	109.3824	0.215	14	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.2488	0.703	6	109.2488	0.494	6	109.3824	0.215	14	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[4x6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[4x6]C[6,6]3)(C[6]O[6]O)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[3x6](C[6,6]C[3x6]HH)(C[4x6]C[6,6]3)(C[6]O[6]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.8732	0.029	4	109.9977	0.023	8	109.9977	0.023	8	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[4x6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[4x6]C[6,6]3)(C[6]O[6]O)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[3x6](C[6,6]C[3x6]HH)(C[4x6]C[6,6]3)(C[6]O[6]O)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	110.1223	0.112	4	109.9977	0.023	8	109.9977	0.023	8	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[4x6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]C[4x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|H<1>,6|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.7165	0.063	2	109.7165	0.004	2	109.6303	0.126	158	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[5,6]C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[5,6]C)(C[3x6]C[6,6]2H)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.4270	0.004	2	109.4270	0.000	2	109.6303	0.126	158	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]2H)	109.5772	0.119	6	109.5772	0.014	6	109.6303	0.126	158	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,7|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6720	0.000	1	109.6210	0.010	6	109.6303	0.126	158	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,2|C<3>,6|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6108	0.110	5	109.6210	0.010	6	109.6303	0.126	158	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]O)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|O<1>,1|O<2>,7|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]O)(H){2|C<4>,5|H<1>}	H(C[6,6]C[3x6]2H)	109.4175	0.041	4	109.4175	0.002	4	109.6303	0.126	158	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|H<1>,6|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6047	0.114	3	109.5265	0.039	14	109.6303	0.126	158	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|H<1>,6|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){2|C<4>,5|H<1>}	H(C[6,6]C[3x6]2H)	109.5380	0.011	2	109.5265	0.039	14	109.6303	0.126	158	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|H<1>,6|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.4702	0.290	6	109.5265	0.039	14	109.6303	0.126	158	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|H<1>,5|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.4270	0.000	1	109.5265	0.039	14	109.6303	0.126	158	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|H<1>,5|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){2|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6165	0.006	2	109.5265	0.039	14	109.6303	0.126	158	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6,6]C[3x6]2H)	109.8812	0.038	4	110.0164	0.023	8	109.6303	0.126	158	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6,6]C[3x6]2H)	110.1515	0.066	4	110.0164	0.023	8	109.6303	0.126	158	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.7435	0.009	2	109.1952	1.043	9	109.6303	0.126	158	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){2|C<4>,5|H<1>}	H(C[6,6]C[3x6]2H)	109.7775	0.012	2	109.1952	1.043	9	109.6303	0.126	158	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6,6]C[3x6]2H)	109.6580	0.000	1	109.1952	1.043	9	109.6303	0.126	158	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){2|C<4>,5|H<1>}	H(C[6,6]C[3x6]2H)	107.4465	0.660	2	109.1952	1.043	9	109.6303	0.126	158	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{2|C<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.5820	0.023	2	109.1952	1.043	9	109.6303	0.126	158	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|O<1>,4|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.4300	0.004	2	109.4300	0.000	2	109.6303	0.126	158	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]O[6,6]O)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]O[6,6]O)(H){2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.6990	0.038	4	109.6990	0.001	4	109.6303	0.126	158	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]O[6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]O[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.9320	0.021	2	109.9320	0.000	2	109.6303	0.126	158	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6,6]C[3x6]2H)	110.1410	0.000	1	110.1472	0.002	4	109.6303	0.126	158	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H){1|N<3>,2|C<3>,4|H<1>}	H(C[6,6]C[3x6]2H)	110.1190	0.023	2	110.1472	0.002	4	109.6303	0.126	158	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	110.2100	0.000	1	110.1472	0.002	4	109.6303	0.126	158	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]H)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]2H)	109.4707	0.097	4	109.4707	0.009	4	109.6303	0.126	158	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|O<1>,3|C<4>,5|H<1>}	C[3x6](C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(H){4|H<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.5925	0.013	2	109.5925	0.000	2	109.6303	0.126	158	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(C[6,6]C[3x6]H)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|O<2>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(C[6,6]C[3x6]H)(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.8020	0.004	2	109.8020	0.000	2	109.6303	0.126	158	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]C)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]C)(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6046	0.229	41	109.6046	0.052	41	109.6303	0.126	158	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]Fe)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Fe<5>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]Fe)(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7936	0.142	7	109.7936	0.020	7	109.6303	0.126	158	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]H)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|O<2>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]H)(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.5715	0.026	2	109.3574	0.365	7	109.6303	0.126	158	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]H)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]2H)	108.7487	0.044	3	109.3574	0.365	7	109.6303	0.126	158	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]H)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]H)(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	110.0565	0.047	2	109.3574	0.365	7	109.6303	0.126	158	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]Mn)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Mn<8>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]Mn)(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7557	0.076	6	109.7557	0.006	6	109.6303	0.126	158	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]N)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|N<2>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]N)(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7142	0.093	6	109.6902	0.007	13	109.6303	0.126	158	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]N)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|N<3>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]N)(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6696	0.077	7	109.6902	0.007	13	109.6303	0.126	158	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]O)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|O<1>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]O)(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7090	0.011	2	109.7300	0.001	3	109.6303	0.126	158	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]O)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|O<1>,3|C<4>,5|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]O)(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7720	0.000	1	109.7300	0.001	3	109.6303	0.126	158	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]Ru)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Ru<6>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]Ru)(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7668	0.062	6	109.7668	0.004	6	109.6303	0.126	158	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]N[3x6]C[6a]H)(C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[3x6](C[6,6]N[3x6]C[6a]H)(C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.8148	0.137	4	109.8148	0.019	4	109.6303	0.126	158	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:Cl-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]Cl)(C[3x6]C[4x6]C[6]H)(H)2	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[6,6]H)(Cl)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]N[6,6]Cl)(C[3x6]C[4x6]C[6]H)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[6,6]H)(Cl){1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	107.4195	1.456	2	107.4195	2.120	2	107.4195	2.120	2	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(H){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.6582	0.082	4	109.8002	0.017	12	109.8838	0.023	32	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|O<1>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.8711	0.084	8	109.8002	0.017	12	109.8838	0.023	32	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]C)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(N[6,6]C[3x6]C)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]C)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(N[6,6]C[3x6]C)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[3x6]2H)	109.7760	0.072	2	109.7180	0.006	4	109.8838	0.023	32	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]C)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(N[6,6]C[3x6]C)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]C)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(N[6,6]C[3x6]C)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[3x6]2H)	109.6600	0.016	2	109.7180	0.006	4	109.8838	0.023	32	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2	C[3x6](C[6,6]C[3x6]BrH)(C[6,6]C[3x6]HH)(N[6,6]C[3x6]S)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2{2|Br<1>,1|S<4>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[3x6]BrH)(C[6,6]C[3x6]HH)(N[6,6]C[3x6]S)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	110.1457	0.121	3	110.1457	0.015	3	109.8838	0.023	32	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)2(H)2	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]C)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]N[6,6]H)2(H)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]C)(H){1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.9465	0.049	6	109.9465	0.002	6	109.8838	0.023	32	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)2(H)2	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]N[6,6]H)2(H)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(H){1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.9559	0.053	7	109.9559	0.003	7	109.8838	0.023	32	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[5,4x6]C[5]H)(H)2	C[3x6](C[3,6,6]C[3,3x6]O[3]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[5,4x6]C[5]H)(H)2{1|H<1>,1|O<1>,3|O<2>,4|C<4>}	C[3x6](C[3,6,6]C[3,3x6]O[3]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6,6]C[5,6,6]C[3x6]H)	109.5785	0.017	4	109.5785	0.000	4	109.5785	0.000	4	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	110.0623	1.007	4	110.3808	1.512	6	110.3808	1.512	6	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	111.0180	1.816	2	110.3808	1.512	6	110.3808	1.512	6	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:Br-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:Br-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]Br)(C[6,6]C[3x6]HH)(Br)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]H)(Br)	H(C[6,6]C[3x6]C[6,6]Br)	C[6,6](C[3x6]C[5,6,6]C[6,6]Br)(C[6,6]C[3x6]HH)(Br)(H){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]H)(Br){1|C<4>,2|C<3>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]Br)	108.8215	0.152	2	108.8910	0.026	3	108.8910	0.026	3	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:Br-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:Br-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]Br)(C[6,6]C[3x6]HH)(Br)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]H)(Br)	H(C[6,6]C[3x6]C[6,6]Br)	C[6,6](C[3x6]C[5,6,6]C[6,6]Br)(C[6,6]C[3x6]HH)(Br)(H){1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]H)(Br){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]Br)	109.0300	0.000	1	108.8910	0.026	3	108.8910	0.026	3	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8129	0.054	7	109.8129	0.003	7	109.8129	0.003	7	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Br)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Br)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7305	0.005	2	109.7305	0.000	2	109.7226	0.019	38	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8300	0.059	2	109.8300	0.004	2	109.7226	0.019	38	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]C[5a]C)(H)2	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]C[5a]C)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(H){2|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.5345	0.011	2	109.5345	0.000	2	109.7226	0.019	38	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5412	0.011	4	109.6043	0.010	6	109.7226	0.019	38	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7305	0.022	2	109.6043	0.010	6	109.7226	0.019	38	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7847	0.046	10	109.8013	0.007	18	109.7226	0.019	38	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7883	0.059	4	109.8013	0.007	18	109.7226	0.019	38	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9905	0.069	2	109.8013	0.007	18	109.7226	0.019	38	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|O<1>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7215	0.059	2	109.8013	0.007	18	109.7226	0.019	38	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[3x6]C[3x6]O[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[3x6](C[3x6]C[3x6]O[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5130	0.026	4	109.5130	0.001	4	109.7226	0.019	38	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7085	0.053	2	109.7085	0.003	2	109.7226	0.019	38	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[3x6]C[5,5,6]C[3x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[5,5,6]C[3x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8745	0.043	2	109.8745	0.002	2	109.7226	0.019	38	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[4,3x6]C[4,3x6]C[3,4]C[6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[4,3x6]C[4,3x6]C[3,4]C[6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.6352	0.042	4	109.6352	0.002	4	109.6352	0.002	4	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4,5,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){2|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.5830	0.084	4	109.5830	0.007	4	109.4655	1.228	8	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4,5,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.3480	1.680	4	109.3480	2.821	4	109.4655	1.228	8	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8190	0.038	2	109.8190	0.001	2	109.8190	0.001	2	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-3:Cl-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]Cl)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(Cl)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4x6]C[6,6]Cl)(C[6,6]C[3x6]HH)(H)2{2|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(Cl){1|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8577	0.046	4	109.8705	0.005	11	109.8705	0.005	11	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-3:Cl-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]Cl)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(Cl)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4x6]C[6,6]Cl)(C[6,6]C[3x6]HH)(H)2{2|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(Cl){1|Cl<1>,4|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8777	0.085	7	109.8705	0.005	11	109.8705	0.005	11	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7788	0.103	12	109.7788	0.011	12	109.7788	0.011	12	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|Br<1>,1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7975	0.018	2	109.7975	0.000	2	109.7595	0.002	4	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5,3x6]C[4x5,6,6]C[6,6]O[5,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[5,3x6]C[4x5,6,6]C[6,6]O[5,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7215	0.013	2	109.7215	0.000	2	109.7595	0.002	4	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]N[6,6]H)(C[6,6]C[6]2H)(H)2	C[3x6](C[5,3x6]C[5,6,6]N[5,6]O[6])(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,3x6]N[6,6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[3x6](C[5,3x6]C[5,6,6]N[5,6]O[6])(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H){2|C<4>,5|C<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0440	0.004	2	110.0440	0.000	2	110.0440	0.000	2	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,5,6,6]N[6,6]H)(C[6,6]C[6]2H)(H)2	C[3x6](C[5,5,6,6]C[5,5,6]N[5,6]O[5])(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,5,6,6]N[6,6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[3x6](C[5,5,6,6]C[5,5,6]N[5,6]O[5])(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H){2|C<4>,5|C<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0925	0.039	2	110.0925	0.002	2	110.0925	0.002	2	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]BrH)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]BrH)(H)2{1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8380	0.021	2	109.8322	0.001	5	109.7317	0.160	41	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]BrH)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]BrH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8283	0.038	3	109.8322	0.001	5	109.7317	0.160	41	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4345	0.009	2	109.4345	0.000	2	109.7317	0.160	41	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]ClC)(H)2	C[3x6](C[5,6,6]N[5,6,6]C[5]C)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]ClC)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[3x6](C[5,6,6]N[5,6,6]C[5]C)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.7995	0.021	2	109.7995	0.000	2	109.7317	0.160	41	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8067	0.116	4	109.8067	0.014	4	109.7317	0.160	41	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]C)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]C)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	108.7170	1.486	2	108.7170	2.209	2	109.7317	0.160	41	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8420	0.000	1	109.7417	0.004	10	109.7317	0.160	41	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6520	0.008	2	109.7417	0.004	10	109.7317	0.160	41	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7537	0.025	3	109.7417	0.004	10	109.7317	0.160	41	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7525	0.044	4	109.7417	0.004	10	109.7317	0.160	41	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6620	0.017	2	109.6620	0.000	2	109.7317	0.160	41	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9555	0.012	2	109.9555	0.000	2	109.7317	0.160	41	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5195	0.009	2	109.5195	0.000	2	109.7317	0.160	41	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<2>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.7420	0.031	2	109.8130	0.007	4	109.7317	0.160	41	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8840	0.027	2	109.8130	0.007	4	109.7317	0.160	41	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5,6,6]N[5,6,6]O[5]C)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	C[3x6](C[5,6,6]N[5,6,6]O[5]C)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	110.0370	0.622	4	110.0370	0.387	4	109.7317	0.160	41	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CH)(H)2	C[3x6](C[5,6,6]C[6,6]O[5]2)(C[6,6]C[6,6]HH)(C[6,6]C[3x6]Br)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|O<2>}	C[3x6](C[5,6,6]C[6,6]O[5]2)(C[6,6]C[6,6]HH)(C[6,6]C[3x6]Br)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.8090	0.013	2	109.8090	0.000	2	109.7317	0.160	41	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(C[6,6]C[6]2H)(H)2	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(C[6,6]C[6]2H)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H){3|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7625	0.025	2	109.7625	0.001	2	109.7625	0.001	2	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[3x6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[3x6]C[3x6]2)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[3x6]C[3x6]2)(H){1|C<3>,1|S<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8660	0.070	4	109.8660	0.005	4	109.8660	0.005	4	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:F-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2F)(C[6,6]N[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]O)(F)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2F)(C[6,6]N[3x6]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]O)(F){1|N<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9480	0.225	4	109.9480	0.051	4	109.9480	0.051	4	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(H)2	C[3x6](C[6,6]C[6,6]CO)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(H)2{1|O<2>,2|C<3>,3|C<4>}	C[3x6](C[6,6]C[6,6]CO)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	108.0115	2.983	2	108.0115	8.900	2	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[3x6]C[6,6]H)	109.5443	0.106	8	109.5443	0.011	8	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|H<1>,2|C<2>,2|C<4>}	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|C<2>}	H(C[6,6]C[3x6]C[6,6]H)	109.8540	4.523	2	109.8540	20.454	2	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(H){2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.3250	0.000	1	109.3250	0.000	1	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[3x6](C[6,6]C[6,6]CO)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|O<2>,2|C<3>,3|C<4>}	C[3x6](C[6,6]C[6,6]CO)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.0910	0.747	2	109.0910	0.558	2	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HW)(C[6,6]C[6,6]O)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|W<7>,2|O<2>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HW)(C[6,6]C[6,6]O)(H){1|C<2>,1|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.1000	0.023	2	110.1000	0.001	2	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HW)(C[6,6]N[6,6]O)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|H<1>,1|N<2>,1|W<7>,2|O<2>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HW)(C[6,6]N[6,6]O)(H){1|C<2>,1|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.2330	0.024	2	110.0604	0.027	5	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HW)(C[6,6]N[6,6]O)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|H<1>,1|N<2>,1|W<7>,2|O<2>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HW)(C[6,6]N[6,6]O)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9453	0.068	3	110.0604	0.027	5	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7050	0.031	2	109.9076	0.066	5	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|N<4>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<2>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.3330	0.000	1	109.9076	0.066	5	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|N<4>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8975	0.008	2	109.9076	0.066	5	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.2700	1.409	2	109.2700	1.984	2	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	108.6465	1.232	4	108.6465	1.518	4	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8325	0.022	2	109.8325	0.000	2	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,2|C<2>,2|C<3>}	C[3x6](C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5660	0.021	2	109.5660	0.000	2	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8980	0.031	2	109.7760	0.015	6	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7150	0.097	4	109.7760	0.015	6	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9565	0.018	2	109.9565	0.000	2	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,2|S<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.2703	0.822	4	109.2703	0.676	4	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<2>}	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,2|C<2>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	104.9240	3.019	2	104.9240	9.116	2	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4010	1.636	4	109.6881	0.659	14	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8172	0.081	6	109.6881	0.659	14	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{3|C<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7815	0.112	4	109.6881	0.659	14	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<4>,2|C<2>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7044	0.148	8	109.7044	0.022	8	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7265	0.054	2	109.7265	0.003	2	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8315	0.033	2	109.8315	0.001	2	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,2|C<2>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9450	0.016	2	109.9450	0.000	2	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6560	0.034	2	109.6560	0.001	2	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]O)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6400	0.023	2	109.6400	0.001	2	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]2)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]2)(H){1|C<3>,1|I<1>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8196	0.068	5	109.7259	0.013	12	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]2)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]2)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6590	0.091	7	109.7259	0.013	12	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(H){1|C<4>,1|O<1>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7022	0.034	4	109.7139	0.008	8	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(H){1|C<4>,1|O<1>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7255	0.134	4	109.7139	0.008	8	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]I)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|I<1>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]I)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8328	0.022	5	109.8328	0.000	5	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]O)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7090	0.105	8	109.7090	0.011	8	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]N)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]N)(H){1|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7993	0.028	3	109.7993	0.001	3	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<4>,1|O<1>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){4|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4870	0.004	2	109.4870	0.000	2	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8600	0.011	2	109.8600	0.000	2	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]N)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]N)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.6467	0.074	6	109.6467	0.005	6	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5065	0.213	4	109.6911	0.061	8	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.9365	0.030	2	109.6911	0.061	8	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.8150	0.025	2	109.6911	0.061	8	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]Br)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]Br)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9423	0.070	4	109.9423	0.005	4	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HS)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]Br)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HS)(H)2{1|Br<1>,1|H<1>,2|C<3>,2|O<2>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]Br)(H){1|C<4>,1|O<1>,1|S<2>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7915	0.026	2	109.7915	0.001	2	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8240	0.066	3	109.7349	0.037	9	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6903	0.224	6	109.7349	0.037	9	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5685	0.013	2	109.5685	0.000	2	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7610	0.022	4	109.8475	0.103	14	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9900	0.468	6	109.8475	0.103	14	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6520	0.010	2	109.8475	0.103	14	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.7885	0.006	2	109.8475	0.103	14	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4225	0.011	2	109.5102	0.010	4	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){2|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5980	0.021	2	109.5102	0.010	4	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]N)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]N)(H){1|C<3>,1|N<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0110	0.073	8	109.9356	0.019	21	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]N)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|N<2>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]N)(H){1|N<3>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0107	0.067	7	109.9356	0.019	21	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]N)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|N<2>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]N)(H){1|N<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7475	0.060	6	109.9356	0.019	21	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]O)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]O)(H){1|C<3>,1|N<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9745	0.073	75	109.9745	0.005	75	109.7441	0.475	268	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(N[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(N[6,6]C[6,6]H)(H){1|C<4>,1|N<2>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9937	0.054	3	109.9937	0.003	3	110.0247	0.015	28	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(N[6,6]N[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(N[6,6]N[6,6]C)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0456	0.118	23	110.0456	0.014	23	110.0247	0.015	28	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N[5]H)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(N[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N[5]H)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8310	0.016	2	109.8310	0.000	2	110.0247	0.015	28	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	P[4x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]P[4x6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](P[4x6]As[4x6]C[3x6]W)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]P[4x6]H)(C[6,6]C[3x6]HH)(H)2{1|As<3>,1|C<3>,1|C<4>,1|W<6>,2|H<1>}	C[3x6](P[4x6]As[4x6]C[3x6]W)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.0445	0.047	4	109.0445	0.002	4	109.0445	0.002	4	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:N[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[3x6]N[6,6]H)	110.0277	0.102	4	110.0277	0.010	4	110.0277	0.010	4	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.5265	0.074	6	109.5265	0.005	6	109.6567	0.776	20	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]O)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]O)(H){3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	108.2810	1.619	2	108.6627	1.748	3	109.6567	0.776	20	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]O)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]O)(H){3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.4260	0.000	1	108.6627	1.748	3	109.6567	0.776	20	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6x6]O)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[4x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[4x6]H)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[3x6]C[6x6]O)(C[3x6]C[6,6]2H)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[3x6](C[6,6]C[4x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[4x6]H)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	109.4595	0.011	2	109.4595	0.000	2	109.6567	0.776	20	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[4x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]O)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[4x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]O)(H){3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	111.0540	1.921	2	111.0540	3.688	2	109.6567	0.776	20	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[5,6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[5,6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<2>,2|H<1>,4|C<4>}	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.8572	0.233	5	109.8572	0.054	5	109.6567	0.776	20	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[5,6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]O)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[5,6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]O)(H){3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.8370	0.024	2	109.8370	0.001	2	109.6567	0.776	20	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3,3x6]O[6,6]C[6])(C[3x6]C[6,6]N[6,6]H)(H)2	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[4x6]HH)(N[6,6]C[3x6]C)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[3,3x6]O[6,6]C[6])(C[3x6]C[6,6]N[6,6]H)(H)2{1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[4x6]HH)(N[6,6]C[3x6]C)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[3x6]C[4x6]H)	109.7325	0.021	2	109.7325	0.000	2	109.7284	0.001	5	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[3x6]C[6,6]N[6,6]H)(H)2	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[4x6]HH)(N[6,6]C[3x6]C)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[3x6]C[6,6]N[6,6]H)(H)2{1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[4x6]HH)(N[6,6]C[3x6]C)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[3x6]C[4x6]H)	109.7257	0.046	3	109.7257	0.002	3	109.7284	0.001	5	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,3x6]C[5,4x6]H)(C[3x6]C[3,6,6]C[6,6]H)(H)2	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,4x6]H)(C[3x6]C[3,6,6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|O<2>,6|C<4>}	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(H){2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[5,3x6]C[3x6]H)	110.2780	0.008	2	110.3882	0.009	6	110.3882	0.009	6	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,3x6]C[5,4x6]H)(C[3x6]C[3,6,6]C[6,6]H)(H)2	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,4x6]H)(C[3x6]C[3,6,6]C[6,6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(H){1|O<1>,2|C<4>,4|H<1>}	H(C[6,6]C[5,3x6]C[3x6]H)	110.4433	0.058	4	110.3882	0.009	6	110.3882	0.009	6	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[4x5,6,6]C[3x6]O[5,6])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]C[4x5,6,6]C[3x6]O[5,6])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[5,3x6]C[3x6]H)	109.6485	0.019	2	109.6485	0.000	2	109.7131	0.123	18	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,4x6]C[5,6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]O)(H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]C[5,4x6]C[5,6,6]H)(C[3x6]C[6,6]2H)(H)2{1|O<1>,2|H<1>,6|C<4>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]O)(H){3|C<4>,4|H<1>}	H(C[6,6]C[5,3x6]C[3x6]H)	109.2580	0.008	2	109.2580	0.000	2	109.7131	0.123	18	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6,6]C[5,3x6]C[3x6]H)	110.0090	0.030	2	110.0090	0.001	2	109.7131	0.123	18	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6,6]C[5,3x6]C[3x6]H)	110.1477	0.027	3	110.1477	0.001	3	109.7131	0.123	18	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[6,6]2H)(H)2{1|O<2>,2|H<1>,2|O<1>,4|C<4>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6,6]C[5,3x6]C[3x6]H)	110.0545	0.019	2	110.0545	0.000	2	109.7131	0.123	18	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,3x6]C[5,5x6]O)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,3x6]HO)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,5x6]O)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|O<2>,6|C<4>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,3x6]HO)(C[6,6]C[6,6]C)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[5,3x6]C[3x6]H)	109.3603	0.355	3	109.3603	0.126	3	109.7131	0.123	18	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,3x6]HO)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,3x6]HO)(C[6,6]C[6,6]C)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[5,3x6]C[3x6]H)	109.5930	0.003	4	109.5930	0.000	4	109.7131	0.123	18	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,5,3x6]C[5,5,3x6]C[5,6]O[5,6])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	H(C[6,6]C[5,5,3x6]C[3x6]H)	C[6,6](C[5,5,3x6]C[5,5,3x6]C[5,6]O[5,6])(C[3x6]C[6,6]2H)(H)2{2|H<1>,2|O<1>,5|C<4>}	C[3x6](C[6,6]C[5,5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6,6]C[5,5,3x6]C[3x6]H)	110.1405	0.015	2	110.1405	0.000	2	110.1405	0.000	2	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[3x6]O[5]2)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[3x6]O[5]2)(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[5,6,6]C[3x6]H)	109.7758	0.037	8	109.7758	0.001	8	110.0742	0.392	32	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[3x6]S[5]2)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[3x6]S[5]2)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,2|S<2>,3|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	110.9417	1.525	4	110.9417	2.325	4	110.0742	0.392	32	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]O)(H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]O)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	109.9575	0.018	2	109.9575	0.000	2	110.0742	0.392	32	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]N[5]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]N[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,4|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	110.3400	0.031	2	110.3400	0.001	2	110.0742	0.392	32	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]O[5]C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]O[5]C)(C[3x6]C[6,6]2H)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	110.0825	0.030	4	110.0825	0.001	4	110.0742	0.392	32	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]O[5]O)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]O[5]O)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	110.3303	0.070	4	110.3303	0.005	4	110.0742	0.392	32	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]S[5]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,5,6,6]CO)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]S[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<2>,1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	C[3x6](C[6,6]C[5,5,6,6]CO)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H){1|N<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	109.8045	0.013	2	109.8045	0.000	2	110.0742	0.392	32	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]N[6]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|N<3>,1|O<1>,2|O<2>,4|C<4>}	C[3x6](C[6,6]C[3x6]N[6]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[5,6,6]C[3x6]H)	109.5275	0.022	2	109.5275	0.000	2	110.0742	0.392	32	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]O)(H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]O)(H){3|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	109.7375	0.016	2	109.7375	0.000	2	110.0742	0.392	32	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]N[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]N[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]C)(H){1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	110.0075	0.026	2	110.0075	0.001	2	110.0742	0.392	32	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:Cl-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]N[6,6]Cl)(H)2	C[3x6](C[6,6]C[5,6,6]HH)2(N[6,6]C[6,6]H)(Cl)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]N[6,6]Cl)(H)2{1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)2(N[6,6]C[6,6]H)(Cl){1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[5,6,6]C[3x6]H)	109.0820	1.355	4	109.0820	1.835	4	109.0820	1.835	4	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:Cl-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2Cl)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]Cl)(Cl)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2Cl)(H)2{2|Cl<1>,2|O<2>,4|C<3>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4027	0.124	6	109.4027	0.015	6	109.4027	0.015	6	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2{1|N<3>,1|N<4>,2|C<3>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.8477	0.102	3	109.7488	0.024	5	109.5665	0.056	30	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|N<3>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.6005	0.015	2	109.7488	0.024	5	109.5665	0.056	30	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(H)2{1|C<4>,1|H<1>,2|C<2>,4|C<3>}	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,2|C<2>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.2325	0.037	2	109.2325	0.001	2	109.5665	0.056	30	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4x6]C[6a]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[3x6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[4x6]C[6a]H)(C[3x6]C[6,6]2H)(H)2{1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.4858	0.029	5	109.4858	0.001	5	109.5665	0.056	30	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5138	0.028	4	109.5138	0.001	4	109.5665	0.056	30	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.3850	0.006	2	109.3850	0.000	2	109.5665	0.056	30	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8787	0.433	4	109.8787	0.188	4	109.5665	0.056	30	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5030	0.033	4	109.5030	0.001	4	109.5665	0.056	30	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4345	0.012	2	109.4345	0.000	2	109.5665	0.056	30	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,3x6]HH)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,5,3x6]HH)(C[3x6]C[6,6]2H)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[5,5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5680	0.037	2	109.5680	0.001	2	109.5665	0.056	30	109.7251	0.317	805	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:2:	4:	C[3,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[6,6]-4:	C[6,6](C[3,3x6]C[5,4x6]C[3,6]O[3])(C[3x6]C[6,6]2O)(H)2	C[3x6](C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3,3x6]HH)(C[6,6]C[6,6]H)(OC)	H(C[6,6]C[3,3x6]C[3x6]H)	C[6,6](C[3,3x6]C[5,4x6]C[3,6]O[3])(C[3x6]C[6,6]2O)(H)2{2|N<3>,3|C<3>,3|H<1>}	C[3x6](C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3,3x6]HH)(C[6,6]C[6,6]H)(OC){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6,6]C[3,3x6]C[3x6]H)	109.9860	0.023	2	109.9860	0.001	2	109.9860	0.001	2	109.4341	0.390	30	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:N[6]-3:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[5,4x6]N[6]O)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[5,4x6]C[5,6,6]2C[6])(C[6,6]C[3x6]HH)(N[6]C[6]C)(OH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,4x6]N[6]O)(C[3x6]C[6,6]2H)(H)2{4|H<1>,5|C<4>}	C[3x6](C[5,4x6]C[5,6,6]2C[6])(C[6,6]C[3x6]HH)(N[6]C[6]C)(OH){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	109.6310	0.007	2	109.6310	0.000	2	109.6310	0.000	2	109.4341	0.390	30	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2	C[3x6](C[6,6]N[5,6,6]C[3]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2{1|C<4>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	C[3x6](C[6,6]N[5,6,6]C[3]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC){1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.7005	0.004	2	109.7005	0.000	2	109.6460	0.004	12	109.4341	0.390	30	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2	C[3x6](C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2{1|C<4>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[3x6](C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC){2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]2H)	109.5948	0.082	4	109.6219	0.004	8	109.6460	0.004	12	109.4341	0.390	30	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2	C[3x6](C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2{1|O<2>,2|N<3>,3|C<3>,3|H<1>}	C[3x6](C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC){1|H<1>,2|C<4>,4|C<3>}	H(C[6,6]C[3x6]2H)	109.6470	0.008	2	109.6219	0.004	8	109.6460	0.004	12	109.4341	0.390	30	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2	C[3x6](C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2{1|O<2>,2|N<3>,3|C<3>,3|H<1>}	C[3x6](C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC){2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]2H)	109.6510	0.008	2	109.6219	0.004	8	109.6460	0.004	12	109.4341	0.390	30	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2	C[3x6](C[6,6]N[5,6,6]HH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2{1|O<2>,2|C<3>,2|N<3>,4|H<1>}	C[3x6](C[6,6]N[5,6,6]HH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC){1|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]2H)	109.6880	0.011	2	109.6880	0.000	2	109.6460	0.004	12	109.4341	0.390	30	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:2:	4:	C[3x6]-4:C[6,6]-4:Cl-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(Cl)(H)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]ClH)(C[6,6]C[6,6]H)(OC)	H(C[6,6]C[3x6]C[6,6]Cl)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(Cl)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]ClH)(C[6,6]C[6,6]H)(OC){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]Cl)	107.4455	0.173	2	107.4455	0.030	2	107.4455	0.030	2	109.4341	0.390	30	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:2:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7590	0.013	2	109.7880	0.002	4	109.3423	0.272	8	109.4341	0.390	30	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:2:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8170	0.041	2	109.7880	0.002	4	109.3423	0.272	8	109.4341	0.390	30	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:2:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5,6,6]C[6,6]S[5]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|S<2>}	C[3x6](C[5,6,6]C[6,6]S[5]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC){3|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	108.8965	0.321	4	108.8965	0.103	4	109.3423	0.272	8	109.4341	0.390	30	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:2:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,2|C<2>,2|H<1>}	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC){1|C<3>,1|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6295	0.033	2	109.6295	0.001	2	109.6018	0.003	4	109.4341	0.390	30	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:2:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(OC)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(H)2{3|C<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(OC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5740	0.078	2	109.5740	0.006	2	109.6018	0.003	4	109.4341	0.390	30	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)2(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]O)(COO)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)2(H)2{2|C<4>,2|O<1>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]O)(COO){2|C<4>,4|C<3>}	H(C[6,6]C[3x6]2H)	109.6103	0.025	4	109.6103	0.001	4	109.6103	0.001	4	109.4360	0.016	14	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:3:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CC)(H)2	C[3x6](C[3x6]C[6,6]O[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(COO)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CC)(H)2{1|Cl<1>,1|H<1>,2|C<3>,2|O<2>}	C[3x6](C[3x6]C[6,6]O[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(COO){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.2500	0.014	2	109.2500	0.000	2	109.2500	0.000	2	109.4360	0.016	14	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:3:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5,6,6]C[5,3x6]C[6,6]O[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(CCO)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[3x6](C[5,6,6]C[5,3x6]C[6,6]O[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(CCO){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.3815	0.013	2	109.3815	0.000	2	109.3815	0.000	2	109.4360	0.016	14	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:3:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(COO)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(COO){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.3720	0.024	2	109.3720	0.001	2	109.3720	0.001	2	109.4360	0.016	14	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[3x6]C[6,6]C)(H)2	C[3x6](C[3x6]C[5,6,6]O[6]2)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(COO)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[3x6]C[6,6]C)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[3x6](C[3x6]C[5,6,6]O[6]2)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(COO){2|C<4>,2|O<2>,4|C<3>}	H(C[6,6]C[5,6,6]C[3x6]H)	109.4140	0.028	4	109.4140	0.001	4	109.4140	0.001	4	109.4360	0.016	14	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]O[6]H)(C[3x6]C[6,6]2C)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]O[6]H)(C[3x6]C[6,6]2C)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(CH3){1|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.5565	0.032	2	109.5565	0.001	2	109.4041	0.124	11	109.2917	0.307	76	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|H<1>,2|O<1>,5|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)(CH3){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.1460	0.504	4	109.1460	0.254	4	109.4041	0.124	11	109.2917	0.307	76	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]O)(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{1|C<4>,1|N<3>,1|O<1>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]O)(CH3){2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.6720	0.007	2	109.6720	0.000	2	109.4041	0.124	11	109.2917	0.307	76	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)2(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]C)(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)2(H)2{1|C<3>,1|C<4>,1|N<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]C)(CH3){6|C<4>}	H(C[6,6]C[3x6]2H)	109.4680	0.074	3	109.4680	0.005	3	109.4041	0.124	11	109.2917	0.307	76	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[3x6]C[6,6]2H)(H)2{1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(CH3){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.5250	0.042	4	109.5250	0.002	4	109.3073	0.766	12	109.2917	0.307	76	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)2(H)2	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]N[6,6]C)2(H)2{2|C<4>,2|O<1>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(CH3){1|N<3>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.1985	1.078	8	109.1985	1.162	8	109.3073	0.766	12	109.2917	0.307	76	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:4:	4:	C[3x6]-4:C[3x6]-4:H-1:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)2(H)(O)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)(CH3)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]2C)2(H)(O){2|O<1>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)(CH3){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2O)	108.2085	0.156	2	108.2085	0.024	2	108.2210	0.009	4	109.2917	0.307	76	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:4:	4:	C[3x6]-4:C[3x6]-4:H-1:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)2(H)(O)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)(CH3)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]2C)2(H)(O){2|O<1>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)(CH3){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2O)	108.2335	0.054	2	108.2335	0.003	2	108.2210	0.009	4	109.2917	0.307	76	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CCCH)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CCCH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.3133	0.126	4	109.3133	0.016	4	109.4138	0.020	8	109.2917	0.307	76	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5143	0.062	4	109.5143	0.004	4	109.4138	0.020	8	109.2917	0.307	76	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]C)(CCHH)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.2795	0.008	2	109.2795	0.000	2	109.5264	0.068	30	109.2917	0.307	76	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|N<3>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.5530	0.006	2	109.5530	0.000	2	109.5264	0.068	30	109.2917	0.307	76	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5195	0.018	2	109.5195	0.000	2	109.5264	0.068	30	109.2917	0.307	76	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]B)(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|B<4>,1|H<1>,1|N<3>,3|C<4>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]B)(CH3){1|C<3>,1|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6178	0.315	14	109.6178	0.099	14	109.5264	0.068	30	109.2917	0.307	76	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]Se)(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|Se<1>,1|H<1>,1|N<3>,3|C<4>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]Se)(CH3){1|C<3>,1|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6480	0.014	2	109.6480	0.000	2	109.5264	0.068	30	109.2917	0.307	76	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]HH)(H)2	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3){1|Si<4>,1|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.2330	0.049	2	109.2330	0.002	2	109.5264	0.068	30	109.2917	0.307	76	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]HO)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(CH3){1|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.1925	0.015	2	109.1925	0.000	2	109.5264	0.068	30	109.2917	0.307	76	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[6]2O)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(C[6,6]C[6]2)(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[6]2O)(H)2{1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(C[6,6]C[6]2)(CH3){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5733	0.057	4	109.5733	0.003	4	109.5264	0.068	30	109.2917	0.307	76	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2C)(H)2	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HO)(C[6,6]C[5,6,6]O)(CH3)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2C)(H)2{1|O<1>,1|O<2>,4|H<1>,6|C<4>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HO)(C[6,6]C[5,6,6]O)(CH3){1|C<3>,1|H<1>,5|C<4>}	H(C[6,6]C[5,3x6]C[3x6]H)	108.9790	0.018	5	108.9790	0.000	5	108.9790	0.000	5	109.2917	0.307	76	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(H)2	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3){1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	108.8630	0.786	2	108.6927	0.414	6	108.6927	0.414	6	109.2917	0.307	76	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(H)2	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3){1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	108.6075	0.674	4	108.6927	0.414	6	108.6927	0.414	6	109.2917	0.307	76	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	B[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](B[3x6]C[3x6]C[6,6]N[6])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]B[3x6]C[3x6]H)	C[6,6](B[3x6]C[3x6]C[6,6]N[6])(C[3x6]C[6,6]2H)(H)2{2|C<3>,4|C<4>,6|H<1>}	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H){1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]B[3x6]C[3x6]H)	108.4430	0.875	4	108.4430	0.765	4	109.5475	0.588	28	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	B[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](B[3x6]C[6,6]2N)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]B[3x6]C[3x6]H)	C[6,6](B[3x6]C[6,6]2N)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H){1|H<1>,1|N<4>,4|C<4>}	H(C[6,6]B[3x6]C[3x6]H)	110.1973	0.122	6	110.1973	0.015	6	109.5475	0.588	28	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	B[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](B[3x6]C[6,6]2N[3x6])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]B[3x6]C[3x6]H)	C[6,6](B[3x6]C[6,6]2N[3x6])(C[3x6]C[6,6]2H)(H)2{5|C<4>,8|H<1>}	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H){1|N<4>,2|H<1>,3|C<4>}	H(C[6,6]B[3x6]C[3x6]H)	110.1172	0.049	4	110.1172	0.002	4	109.5475	0.588	28	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	B[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](B[3x6]C[6,6]2N[6])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]B[3x6]C[3x6]H)	C[6,6](B[3x6]C[6,6]2N[6])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H){1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]B[3x6]C[3x6]H)	110.1033	0.297	3	110.1033	0.088	3	109.5475	0.588	28	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	B[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](B[3x6]C[6,6]2O[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]B[3x6]C[3x6]H)	C[6,6](B[3x6]C[6,6]2O[5])(C[3x6]C[6,6]2H)(H)2{4|C<4>,8|H<1>}	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H){1|O<3>,2|H<1>,3|C<4>}	H(C[6,6]B[3x6]C[3x6]H)	109.2358	0.511	11	109.2358	0.261	11	109.5475	0.588	28	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,5,6]N[3,5,6]H)(C[3x6]C[5,3x6]C[6,6]H)(H)2	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(H)	H(C[6,6]C[3,6,6]C[3x6]H)	C[6,6](C[3,6,6]C[3,5,6]N[3,5,6]H)(C[3x6]C[5,3x6]C[6,6]H)(H)2{1|H<1>,7|C<4>}	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(H){10|H<1>,1|N<4>,4|C<4>}	H(C[6,6]C[3,6,6]C[3x6]H)	108.7355	0.019	2	108.7355	0.000	2	108.7355	0.000	2	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3,6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[3,6,6]C[3,5,6]2H)(H)2	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(H)	H(C[6,6]C[3,6,6]C[3x6]H)	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[3,6,6]C[3,5,6]2H)(H)2{1|H<1>,7|C<4>}	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(H){10|H<1>,5|C<4>}	H(C[6,6]C[3,6,6]C[3x6]H)	108.8920	0.000	1	108.8920	0.000	1	108.8920	0.000	1	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2F)(H)2	C[3x6](C[3,6,6]C[3x6]C[3]N[3])(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2F)(H)2{1|C<3>,1|N<2>,2|C<4>,6|H<1>}	C[3x6](C[3,6,6]C[3x6]C[3]N[3])(C[6,6]C[3x6]HH)2(H){1|C<3>,1|F<1>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	110.0655	0.028	2	110.0655	0.001	2	109.6193	0.225	75	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[3,6,6]C[3,3]2C[3x6])(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	C[3x6](C[3,6,6]C[3,3]2C[3x6])(C[6,6]C[3x6]HH)2(H){2|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.6617	0.057	10	109.6617	0.003	10	109.6193	0.225	75	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[3,6,6]C[3,6,6]C[3x6]Se[3])(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|Se<3>,3|C<4>,6|H<1>}	C[3x6](C[3,6,6]C[3,6,6]C[3x6]Se[3])(C[6,6]C[3x6]HH)2(H){3|H<1>,6|C<4>}	H(C[6,6]C[3x6]2H)	109.6029	0.065	11	109.6029	0.004	11	109.6193	0.225	75	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[3,6,6]C[3x6]C[3]2)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	C[3x6](C[3,6,6]C[3x6]C[3]2)(C[6,6]C[3x6]HH)2(H){2|C<2>,2|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	108.7756	1.122	8	108.7756	1.259	8	109.6193	0.225	75	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[3,6,6]C[3x6]C[3]N[3])(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<2>,2|C<4>,6|H<1>}	C[3x6](C[3,6,6]C[3x6]C[3]N[3])(C[6,6]C[3x6]HH)2(H){1|C<3>,1|F<1>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.7567	0.047	3	109.7567	0.002	3	109.6193	0.225	75	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[3,6,6]C[3x6]C[3]S[3])(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|S<2>,3|C<4>,6|H<1>}	C[3x6](C[3,6,6]C[3x6]C[3]S[3])(C[6,6]C[3x6]HH)2(H){2|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6879	0.061	16	109.6879	0.004	16	109.6193	0.225	75	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[3,6,6]C[3x6]N[3]2)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|N<3>,2|C<4>,6|H<1>}	C[3x6](C[3,6,6]C[3x6]N[3]2)(C[6,6]C[3x6]HH)2(H){1|Ru<6>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.8853	0.179	13	109.8853	0.032	13	109.6193	0.225	75	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[3,6,6]Si[3,4]C[3x6]O[3])(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|Si<5>,1|O<2>,2|C<4>,6|H<1>}	C[3x6](C[3,6,6]Si[3,4]C[3x6]O[3])(C[6,6]C[3x6]HH)2(H){1|Cl<1>,2|N<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7238	0.069	5	109.7238	0.005	5	109.6193	0.225	75	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[3,6,6]Si[3,5]C[3x6]O[3])(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|Si<4>,1|O<2>,2|C<4>,6|H<1>}	C[3x6](C[3,6,6]Si[3,5]C[3x6]O[3])(C[6,6]C[3x6]HH)2(H){3|H<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.6364	0.095	7	109.6364	0.009	7	109.6193	0.225	75	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[4x6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[3x6]C[3x6]C[6]2)(C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]C[4x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|H<1>,6|C<4>}	C[3x6](C[3x6]C[3x6]C[6]2)(C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(H){11|H<1>,1|C<3>,1|N<3>,1|O<2>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.6605	0.011	2	109.6605	0.000	2	109.6605	0.000	2	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2C)(H)2	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2C)(H)2{1|H<1>,2|O<1>,5|C<4>}	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(H){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	H(C[6,6]C[3x6]2H)	109.5050	0.020	3	109.5050	0.000	3	109.6795	0.460	89	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[3x6]B[3x6]C[6]2)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|B<4>,3|C<4>,6|H<1>}	C[3x6](C[3x6]B[3x6]C[6]2)(C[6,6]C[3x6]HH)2(H){1|N<3>,5|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	110.1023	1.299	3	110.1023	1.688	3	109.6795	0.460	89	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<2>,3|C<4>,6|H<1>}	C[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[3x6]HH)2(H){1|N<3>,4|C<4>,5|H<1>}	H(C[6,6]C[3x6]2H)	109.6932	0.045	6	109.6450	1.200	31	109.6795	0.460	89	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[3x6]HH)2(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	H(C[6,6]C[3x6]2H)	109.6195	2.263	8	109.6450	1.200	31	109.6795	0.460	89	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[3x6]HH)2(H){1|Rh<4>,1|N<3>,4|C<4>,5|H<1>}	H(C[6,6]C[3x6]2H)	109.5970	0.079	6	109.6450	1.200	31	109.6795	0.460	89	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	C[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[3x6]HH)2(H){5|C<4>,7|H<1>}	H(C[6,6]C[3x6]2H)	109.6634	0.078	11	109.6450	1.200	31	109.6795	0.460	89	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[3x6]C[3x6]C[6]N[6])(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,3|C<4>,6|H<1>}	C[3x6](C[3x6]C[3x6]C[6]N[6])(C[6,6]C[3x6]HH)2(H){1|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	109.6412	0.071	6	109.6412	0.005	6	109.6795	0.460	89	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[3x6]C[3x6]O[6]2)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{2|C<4>,2|O<2>,6|H<1>}	C[3x6](C[3x6]C[3x6]O[6]2)(C[6,6]C[3x6]HH)2(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.7044	0.028	5	109.7344	0.010	19	109.6795	0.460	89	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[3x6]C[3x6]O[6]2)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{2|C<4>,2|O<2>,6|H<1>}	C[3x6](C[3x6]C[3x6]O[6]2)(C[6,6]C[3x6]HH)2(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.8186	0.072	7	109.7344	0.010	19	109.6795	0.460	89	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[3x6]C[3x6]O[6]2)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{2|C<4>,2|O<2>,6|H<1>}	C[3x6](C[3x6]C[3x6]O[6]2)(C[6,6]C[3x6]HH)2(H){2|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6717	0.103	7	109.7344	0.010	19	109.6795	0.460	89	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[3x6]C[3x6]S[6]2)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{2|C<4>,2|S<2>,6|H<1>}	C[3x6](C[3x6]C[3x6]S[6]2)(C[6,6]C[3x6]HH)2(H){3|H<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.6154	0.045	13	109.6154	0.002	13	109.6795	0.460	89	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{3|C<4>,7|H<1>}	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[3x6]HH)2(H){1|C<3>,3|H<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.7290	0.080	4	109.7290	0.006	4	109.6795	0.460	89	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[3x6]C[4x6]N[6]C)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,3|C<4>,6|H<1>}	C[3x6](C[3x6]C[4x6]N[6]C)(C[6,6]C[3x6]HH)2(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.7163	0.027	3	109.7163	0.001	3	109.6795	0.460	89	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[3x6]C[6,6a]C[3x6]O[6])(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[3x6](C[3x6]C[6,6a]C[3x6]O[6])(C[6,6]C[3x6]HH)2(H){3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6844	0.093	7	109.6844	0.009	7	109.6795	0.460	89	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2C)(H)2	C[3x6](C[4,6,6]C[4,6,6]C[3x6]O[4])(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2C)(H)2{1|O<2>,3|C<4>,6|H<1>}	C[3x6](C[4,6,6]C[4,6,6]C[3x6]O[4])(C[6,6]C[3x6]HH)2(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.7293	0.049	3	109.7293	0.002	3	109.7609	0.144	26	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[4,6,6]C[3x6]S[4]2)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{2|C<4>,2|S<2>,6|H<1>}	C[3x6](C[4,6,6]C[3x6]S[4]2)(C[6,6]C[3x6]HH)2(H){3|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.6928	0.029	6	109.6928	0.001	6	109.7609	0.144	26	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[4,6,6]C[4,3x6]C[4]H)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{3|C<4>,7|H<1>}	C[3x6](C[4,6,6]C[4,3x6]C[4]H)(C[6,6]C[3x6]HH)2(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.5420	0.093	4	109.9014	0.479	8	109.7609	0.144	26	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[4,6,6]C[4,3x6]C[4]H)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{3|C<4>,7|H<1>}	C[3x6](C[4,6,6]C[4,3x6]C[4]H)(C[6,6]C[3x6]HH)2(H){3|H<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	110.2608	0.875	4	109.9014	0.479	8	109.7609	0.144	26	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[4,6,6]C[4,6,6]C[3x6]O[4])(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|O<2>,3|C<4>,6|H<1>}	C[3x6](C[4,6,6]C[4,6,6]C[3x6]O[4])(C[6,6]C[3x6]HH)2(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.7062	0.028	4	109.6920	0.001	9	109.7609	0.144	26	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[4,6,6]C[4,6,6]C[3x6]O[4])(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|O<2>,3|C<4>,6|H<1>}	C[3x6](C[4,6,6]C[4,6,6]C[3x6]O[4])(C[6,6]C[3x6]HH)2(H){1|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.6806	0.023	5	109.6920	0.001	9	109.7609	0.144	26	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,7|C<4>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){1|C<3>,5|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	109.7120	0.000	1	109.5280	0.025	34	109.5180	0.024	42	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,6|C<4>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){10|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.4630	0.027	2	109.5280	0.025	34	109.5180	0.024	42	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|H<1>,6|C<4>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){10|H<1>,1|C<3>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.5165	0.008	2	109.5280	0.025	34	109.5180	0.024	42	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|H<1>,6|C<4>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){1|C<3>,5|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	109.4497	0.282	6	109.5280	0.025	34	109.5180	0.024	42	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|H<1>,6|C<4>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){2|C<3>,4|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	109.6660	0.053	4	109.5280	0.025	34	109.5180	0.024	42	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,2|C<3>,6|C<4>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){2|C<3>,4|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	109.6047	0.114	6	109.5280	0.025	34	109.5180	0.024	42	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|O<1>,1|O<2>,7|C<4>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){10|H<1>,1|C<3>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.3797	0.023	3	109.5280	0.025	34	109.5180	0.024	42	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|O<2>,2|H<1>,7|C<4>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){10|H<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.4965	0.005	2	109.5280	0.025	34	109.5180	0.024	42	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|O<2>,2|H<1>,7|C<4>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){1|O<2>,5|C<4>,9|H<1>}	H(C[6,6]C[3x6]2H)	109.5023	0.022	4	109.5280	0.025	34	109.5180	0.024	42	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|H<1>,5|C<4>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	109.6925	0.039	2	109.5280	0.025	34	109.5180	0.024	42	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|H<1>,5|C<4>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<1>,4|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	109.3820	0.030	2	109.5280	0.025	34	109.5180	0.024	42	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[4x6]C[6,6]H)(H)2	C[3x6](C[4x6]C[5,6,6]C[6,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[4x6]C[6,6]H)(H)2{1|H<1>,2|C<3>,6|C<4>}	C[3x6](C[4x6]C[5,6,6]C[6,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){2|C<3>,4|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	109.4759	0.146	8	109.4759	0.021	8	109.5180	0.024	42	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[3x6]2H)	109.4970	0.011	2	109.4970	0.000	2	109.7612	0.496	74	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2	C[3x6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(C[6]C[3x6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(C[6]C[3x6]HH)(H){2|C<3>,3|C<4>,3|H<1>,3|O<2>}	H(C[6,6]C[3x6]2H)	110.0525	0.012	2	110.0525	0.000	2	109.7612	0.496	74	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]CH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{3|H<1>,7|C<4>}	C[3x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]CH)(H){1|O<2>,3|C<4>,5|H<1>}	H(C[6,6]C[3x6]2H)	109.5230	0.016	2	109.5230	0.000	2	109.7612	0.496	74	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|I<1>,2|C<4>,6|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.5255	0.046	2	109.5255	0.002	2	109.7612	0.496	74	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]N[6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]N[6]HH)(H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7320	0.056	3	109.7320	0.003	3	109.7612	0.496	74	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[4x6]C[3x6]O[6,6]O)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[3x6](C[4x6]C[3x6]O[6,6]O)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.6940	0.050	4	109.6940	0.002	4	109.7612	0.496	74	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,8|H<1>}	H(C[6,6]C[3x6]2H)	109.6325	0.006	2	109.8872	0.805	12	109.7612	0.496	74	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	109.7310	0.040	2	109.8872	0.805	12	109.7612	0.496	74	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	H(C[6,6]C[3x6]2H)	109.7540	0.038	2	109.8872	0.805	12	109.7612	0.496	74	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|O<1>,4|C<4>,4|H<1>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	109.4330	0.006	2	109.8872	0.805	12	109.7612	0.496	74	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	H(C[6,6]C[3x6]2H)	111.2035	2.135	2	109.8872	0.805	12	109.7612	0.496	74	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{2|C<4>,3|C<3>,4|H<1>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<1>,5|H<1>}	H(C[6,6]C[3x6]2H)	109.5695	0.030	2	109.8872	0.805	12	109.7612	0.496	74	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6]C[6]CC)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,3x6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2{1|C<3>,7|C<4>}	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6]C[6]CC)(H){3|C<4>,3|O<2>,6|H<1>}	H(C[6,6]C[3x6]2H)	109.7890	0.006	2	109.7890	0.000	2	109.7612	0.496	74	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2	C[3x6](C[4x6]C[5,6,6]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[3x6](C[4x6]C[5,6,6]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	H(C[6,6]C[3x6]2H)	110.1164	1.431	8	110.1164	2.048	8	109.7612	0.496	74	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2	C[3x6](C[4x6]C[6,6,6a]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6]C[6]CC)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2{2|C<3>,5|C<4>}	C[3x6](C[4x6]C[6,6,6a]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	H(C[6,6]C[3x6]2H)	109.9412	0.068	4	109.9412	0.005	4	109.7612	0.496	74	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[3x6]C[4x6]C[6]H)(H)2	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6,6a]CH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[3x6]C[4x6]C[6]H)(H)2{2|C<4>,4|C<3>,4|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6,6a]CH)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	H(C[6,6]C[3x6]2H)	109.5855	0.019	2	109.5855	0.000	2	109.7612	0.496	74	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[3x6]C[4x6]C[6]H)(H)2	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6,6a]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[3x6]C[4x6]C[6]H)(H)2{1|C<4>,4|C<3>,5|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	H(C[6,6]C[3x6]2H)	109.4110	0.132	3	109.4110	0.017	3	109.7612	0.496	74	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]Cl)(C[3x6]C[4x6]C[6]H)(H)2	C[3x6](C[4x6]C[3x6]C[6,6]Cl)(C[6,6]C[3x6]HH)(C[6]O[6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]N[6,6]Cl)(C[3x6]C[4x6]C[6]H)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]Cl)(C[6,6]C[3x6]HH)(C[6]O[6]HH)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[6,6]C[3x6]2H)	110.5345	2.669	2	110.5345	7.125	2	109.7612	0.496	74	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2	C[3x6](C[4x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2{4|C<4>,4|H<1>}	C[3x6](C[4x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[3x6]2H)	109.7943	0.060	4	109.7943	0.004	4	109.7612	0.496	74	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(H)2	C[3x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7170	0.141	5	109.7170	0.020	5	109.7612	0.496	74	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(H)2	C[3x6](C[4x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[3x6](C[4x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7320	0.017	3	109.6523	0.010	14	109.7612	0.496	74	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(H)2	C[3x6](C[4x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[3x6](C[4x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6305	0.102	11	109.6523	0.010	14	109.7612	0.496	74	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]S[6,6]C)(C[3x6]C[4x6]C[6]H)(H)2	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]S[6,6]C)(C[3x6]C[4x6]C[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|O<1>,1|S<3>,3|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	108.9570	0.025	3	108.9570	0.001	3	109.7612	0.496	74	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2	C[3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]CO)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2{1|C<4>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]CO)(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	H(C[6,6]C[3x6]2H)	109.5720	0.067	3	109.5720	0.004	3	109.6102	0.008	13	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2	C[3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]HO)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2{1|C<4>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	C[3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]HO)(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	H(C[6,6]C[3x6]2H)	109.6830	0.010	2	109.6651	0.001	8	109.6102	0.008	13	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2	C[3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]HO)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2{1|O<2>,2|C<3>,2|N<3>,4|H<1>}	C[3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]HO)(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	H(C[6,6]C[3x6]2H)	109.6820	0.044	2	109.6651	0.001	8	109.6102	0.008	13	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2	C[3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]HO)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2{1|O<2>,2|N<3>,3|C<3>,3|H<1>}	C[3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]HO)(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	H(C[6,6]C[3x6]2H)	109.6585	0.011	2	109.6651	0.001	8	109.6102	0.008	13	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2	C[3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]HO)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2{1|O<2>,2|N<3>,3|C<3>,3|H<1>}	C[3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]HO)(H){1|C<4>,1|O<2>,6|C<3>}	H(C[6,6]C[3x6]2H)	109.6370	0.027	2	109.6651	0.001	8	109.6102	0.008	13	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[3x6]C[5,4x6]C[6]H)(H)2	C[3x6](C[5,4x6]C[5,6,6]N[5,6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]HO)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[3x6]C[5,4x6]C[6]H)(H)2{1|C<4>,2|C<3>,2|N<3>,2|O<2>,3|H<1>}	C[3x6](C[5,4x6]C[5,6,6]N[5,6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]HO)(H){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	H(C[6,6]C[3x6]2H)	109.4475	0.050	2	109.4475	0.003	2	109.6102	0.008	13	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[5,6]N[4x6]H)(H)2	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[5,6]N[4x6]H)(H)2{1|N<2>,2|H<1>,5|C<4>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	110.4120	0.052	2	110.4120	0.003	2	109.6287	0.876	32	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[5,6,6]C[3x6]C[5]2)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[3x6](C[5,6,6]C[3x6]C[5]2)(C[6,6]C[3x6]HH)2(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[3x6]2H)	109.8029	1.496	8	109.8029	2.237	8	109.6287	0.876	32	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[5,6,6]C[3x6]S[5]2)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{2|C<4>,2|S<2>,6|H<1>}	C[3x6](C[5,6,6]C[3x6]S[5]2)(C[6,6]C[3x6]HH)2(H){1|S<2>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.6363	0.039	11	109.6363	0.002	11	109.6287	0.876	32	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[5,6,6]C[5,3x6]C[5,5]H)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{3|C<4>,7|H<1>}	C[3x6](C[5,6,6]C[5,3x6]C[5,5]H)(C[6,6]C[3x6]HH)2(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.5803	0.064	3	109.5803	0.004	3	109.6287	0.876	32	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[5,6,6]C[5,3x6]N[5]H)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,2|C<4>,7|H<1>}	C[3x6](C[5,6,6]C[5,3x6]N[5]H)(C[6,6]C[3x6]HH)2(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	108.9530	1.648	4	108.9530	2.716	4	109.6287	0.876	32	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[5,6,6]C[5,3x6]O[5]C)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|O<2>,3|C<4>,6|H<1>}	C[3x6](C[5,6,6]C[5,3x6]O[5]C)(C[6,6]C[3x6]HH)2(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.5795	0.048	4	109.5795	0.002	4	109.6287	0.876	32	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5,6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[5,6]C[5,6,6]N[5]H)(C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[5,6]C[5,6,6]N[5]H)(C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(H){1|O<1>,1|S<4>,2|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.5570	0.162	6	109.5570	0.026	6	109.5570	0.026	6	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5x6]-4:C[6,6]-4:C[6,6]-4:I-1:	C[6,6]-4:	C[6,6](C[3x6]C[5x6]C[6,6]I)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[5x6]C[5x6]C[6,6]2)(C[6,6]C[3x6]HH)2(I)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5x6]C[6,6]I)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	C[3x6](C[5x6]C[5x6]C[6,6]2)(C[6,6]C[3x6]HH)2(I){6|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	110.0283	0.029	3	110.0283	0.001	3	110.0283	0.001	3	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[4x6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[4x6]C[3x6]3)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[4x6]C[3x6]3)(H){1|O<2>,4|H<1>,7|C<4>}	H(C[6,6]C[3x6]2H)	109.4115	2.801	12	109.4115	7.846	12	109.4115	7.846	12	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:Br-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2C)(H)2	C[3x6](C[6,6]C[3x6]HH)3(Br)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2C)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(Br){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.6400	2.251	2	109.9210	0.885	7	110.2331	0.324	36	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:Br-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2C)(H)2	C[3x6](C[6,6]C[3x6]HH)3(Br)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2C)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(Br){6|C<4>}	H(C[6,6]C[3x6]2H)	110.0334	0.070	5	109.9210	0.885	7	110.2331	0.324	36	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:Br-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2Cl)(H)2	C[3x6](C[6,6]C[3x6]HH)3(Br)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2Cl)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(Br){1|Cl<1>,1|F<1>,1|I<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	110.1595	0.018	2	110.1595	0.000	2	110.2331	0.324	36	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:Br-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2F)(H)2	C[3x6](C[6,6]C[3x6]HH)3(Br)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2F)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(Br){1|Cl<1>,1|F<1>,1|I<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	110.1995	0.006	2	110.1995	0.000	2	110.2331	0.324	36	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:Br-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(Br)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(Br){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	110.6183	1.234	4	110.3935	0.553	10	110.2331	0.324	36	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:Br-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(Br)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(Br){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	110.2437	0.117	6	110.3935	0.553	10	110.2331	0.324	36	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:Br-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2I)(H)2	C[3x6](C[6,6]C[3x6]HH)3(Br)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2I)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(Br){1|Cl<1>,1|F<1>,1|I<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	110.2980	0.025	2	110.2980	0.001	2	110.2331	0.324	36	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:Br-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2Br)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(Br)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2Br)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(Br){3|Br<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	110.2842	0.062	13	110.2842	0.004	13	110.2331	0.324	36	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:Cl-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2Cl)(H)2	C[3x6](C[6,6]C[3x6]HH)3(Cl)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2Cl)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(Cl){1|Br<1>,1|F<1>,1|I<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	110.2355	0.030	2	110.2355	0.001	2	110.1532	0.005	6	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:Cl-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2F)(H)2	C[3x6](C[6,6]C[3x6]HH)3(Cl)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2F)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(Cl){1|Br<1>,1|F<1>,1|I<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	110.1170	0.051	2	110.1170	0.003	2	110.1532	0.005	6	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:Cl-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2I)(H)2	C[3x6](C[6,6]C[3x6]HH)3(Cl)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2I)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(Cl){1|Br<1>,1|F<1>,1|I<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	110.1070	0.020	2	110.1070	0.000	2	110.1532	0.005	6	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:F-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2F)(H)2	C[3x6](C[6,6]C[3x6]HH)3(F)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2F)(H)2{1|C<3>,1|N<2>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(F){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	110.0512	0.055	4	110.0512	0.003	4	110.0657	0.050	18	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:F-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2F)(H)2	C[3x6](C[6,6]C[3x6]HH)3(F)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2F)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(F){1|Br<1>,1|Cl<1>,1|I<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	110.1270	0.031	2	110.1270	0.001	2	110.0657	0.050	18	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:F-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2F)(H)2	C[3x6](C[6,6]C[3x6]HH)3(F)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2F)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(F){1|Br<1>,1|Cl<1>,1|I<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	110.1465	0.026	2	110.1465	0.001	2	110.0657	0.050	18	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:F-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2F)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(F)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2F)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(F){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.8630	0.117	4	109.9925	0.101	8	110.0657	0.050	18	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:F-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2F)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(F)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2F)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(F){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	110.1220	0.421	4	109.9925	0.101	8	110.0657	0.050	18	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:F-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2F)(C[3x6]C[6,6]2I)(H)2	C[3x6](C[6,6]C[3x6]HH)3(F)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2F)(C[3x6]C[6,6]2I)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(F){1|Br<1>,1|Cl<1>,1|I<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	110.2455	0.032	2	110.2455	0.001	2	110.0657	0.050	18	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,5,6]C[6,6]2)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3,5,6]C[6,6]2)(C[3x6]C[6,6]2H)(H)2{1|B<4>,1|C<3>,1|P<4>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.4122	0.092	6	109.4122	0.009	6	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<2>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|F<1>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.7583	0.048	4	109.8143	0.112	71	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|N<3>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.8797	0.199	15	109.8143	0.112	71	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|S<2>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6706	0.047	12	109.8143	0.112	71	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|Se<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6265	0.074	8	109.8143	0.112	71	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|Si<4>,1|O<2>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6716	0.108	7	109.8143	0.112	71	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|Si<5>,1|O<2>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7492	0.020	5	109.8143	0.112	71	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	110.0041	0.544	20	109.8143	0.112	71	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]2)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]C[6,6]2)(C[3x6]C[6,6]2H)(H)2{5|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.0263	0.659	12	109.0263	0.434	12	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|B<4>,3|C<4>,6|H<1>}	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H){1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	110.2013	0.575	4	110.2013	0.330	4	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[4x6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[4x6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.7227	0.021	3	109.6985	0.003	4	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[4x6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{3|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[4x6]HH)(H){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.6260	0.000	1	109.6985	0.003	4	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<2>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7020	0.034	6	109.7722	0.489	74	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6727	0.067	6	109.7722	0.489	74	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	110.1072	1.541	15	109.7722	0.489	74	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6575	0.060	8	109.7722	0.489	74	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{2|C<4>,2|O<2>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7358	0.080	19	109.7722	0.489	74	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{2|C<4>,2|S<2>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6219	0.053	10	109.7722	0.489	74	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6830	0.062	10	109.7722	0.489	74	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|O<2>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.6923	0.022	3	109.6775	0.001	13	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|O<2>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6698	0.030	6	109.6775	0.001	13	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{2|C<4>,2|S<2>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6780	0.033	4	109.6775	0.001	13	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[4,3x6]HH)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{3|C<4>,7|H<1>}	C[3x6](C[6,6]C[4,3x6]HH)(C[6,6]C[3x6]HH)2(H){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.8946	1.019	7	109.8946	1.038	7	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[5,6]C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]N[3x6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[5,6]C)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|C<4>,2|N<3>,5|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]N[3x6]HH)(H){1|C<3>,1|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.6565	0.029	2	109.6565	0.001	2	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|O<2>,2|H<1>,7|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]HH)(H){2|C<4>,5|H<1>}	H(C[6,6]C[3x6]2H)	109.4715	0.029	6	109.4715	0.001	6	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.4283	2.494	4	110.1086	4.375	12	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	110.4488	1.953	8	110.1086	4.375	12	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[3x6]C[6,6]2H)(H)2{2|H<1>,2|O<2>,6|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(H){2|C<4>,2|H<1>,3|O<2>}	H(C[6,6]C[3x6]2H)	109.4080	0.016	2	109.3942	0.001	6	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[3x6]C[6,6]2H)(H)2{2|H<1>,2|O<2>,6|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(H){2|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.3872	0.027	4	109.3942	0.001	6	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	111.3160	1.210	4	111.3160	1.464	4	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{3|H<1>,7|C<4>}	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.5305	0.006	2	109.5305	0.000	2	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HI)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|I<1>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HI)(C[6,6]C[6,6]HH)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.5125	0.015	2	109.5125	0.000	2	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,4x6]N[6]O)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,6,6]HH)2(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,4x6]N[6]O)(C[3x6]C[6,6]2H)(H)2{4|H<1>,5|C<4>}	C[3x6](C[6,6]C[5,6,6]HH)2(C[6,6]C[3x6]HH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.6210	0.000	1	109.6210	0.000	1	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,5]C[6,6]2)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,5]C[6,6]2)(C[3x6]C[6,6]2H)(H)2{1|O<2>,4|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.5594	0.076	21	109.5594	0.006	21	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	108.7304	1.640	8	109.1490	1.561	15	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{2|C<4>,2|S<2>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6274	0.042	7	109.1490	1.561	15	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|N<2>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]2H)	109.6317	0.051	4	109.9277	0.562	15	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,2|C<4>,7|H<1>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	110.7895	1.123	4	109.9277	0.562	15	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|O<2>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H){1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.5940	0.046	3	109.9277	0.562	15	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{3|C<4>,7|H<1>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.6120	0.093	4	109.9277	0.562	15	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[6,6]ClH)(C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2{1|Cl<1>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]ClH)(C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.9175	0.022	2	109.9175	0.000	2	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5x6]C[6,6]I)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[5x6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5x6]C[6,6]I)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[5x6]HH)(H){1|H<1>,1|I<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	110.0265	0.019	4	110.0265	0.000	4	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|Br<1>,1|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	110.2080	0.794	4	110.2376	0.216	10	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|Br<1>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	110.2573	0.095	6	110.2376	0.216	10	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{1|B<4>,1|C<4>,8|H<1>}	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H){1|H<1>,1|N<4>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.1587	0.024	4	109.1587	0.001	4	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|H<1>,2|O<1>,5|C<4>}	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.1250	0.341	4	109.1250	0.116	4	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|O<2>,2|O<1>,4|C<4>}	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(H){2|C<4>,4|C<3>}	H(C[6,6]C[3x6]2H)	110.5535	1.183	4	110.5535	1.400	4	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]C[3]H)(C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{1|H<1>,2|O<1>,5|C<4>}	C[3x6](C[6,6]C[3x6]C[3]H)(C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(H){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	H(C[6,6]C[3x6]2H)	109.4695	0.009	2	109.4695	0.000	2	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]C[6a]H)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]C[6a]H)(C[6,6]C[3x6]HH)2(H){3|C<3>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.5700	0.038	6	109.5700	0.001	6	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{1|C<4>,1|N<3>,1|O<1>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.6330	0.016	2	109.6330	0.000	2	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{1|H<2>,2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.3713	0.110	4	109.6158	0.897	1112	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{1|Ir<4>,1|Li<3>,1|H<2>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<5>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.6227	0.080	4	109.6158	0.897	1112	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|Br<1>,1|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	110.3777	1.223	4	109.6158	0.897	1112	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.7852	0.275	59	109.6158	0.897	1112	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[6,6]C[3x6]2H)	110.2553	0.791	8	109.6158	0.897	1112	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6,6]C[3x6]2H)	110.1732	0.724	6	109.6158	0.897	1112	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.6105	0.351	318	109.6158	0.897	1112	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.5917	0.023	3	109.6158	0.897	1112	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|H<1>,2|C<2>,3|C<4>}	H(C[6,6]C[3x6]2H)	110.3955	1.033	14	109.6158	0.897	1112	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[3x6]2H)	110.0886	1.167	109	109.6158	0.897	1112	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|H<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.5117	0.216	67	109.6158	0.897	1112	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,5|C<4>}	H(C[6,6]C[3x6]2H)	110.0419	1.165	62	109.6158	0.897	1112	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<4>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.6166	0.087	10	109.6158	0.897	1112	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.3889	1.181	444	109.6158	0.897	1112	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[3])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[3])(C[3x6]C[6,6]2H)(H)2{1|Si<2>,1|Si<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.3845	0.050	6	109.3845	0.002	6	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[4])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[4])(C[3x6]C[6,6]2H)(H)2{1|Ge<3>,1|P<2>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.3999	0.078	9	109.2807	0.073	21	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[4])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[4])(C[3x6]C[6,6]2H)(H)2{1|P<2>,1|P<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.4103	0.091	6	109.2807	0.073	21	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[4])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[4])(C[3x6]C[6,6]2H)(H)2{2|Si<4>,1|C<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	108.9723	0.335	6	109.2807	0.073	21	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[4a])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[4a])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|S<2>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	110.3340	2.759	24	110.3340	7.613	24	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.6688	0.166	9	109.6085	0.027	138	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.5400	0.076	6	109.6085	0.027	138	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|N<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.6448	0.099	82	109.6085	0.027	138	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|O<2>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.7237	0.073	22	109.6085	0.027	138	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|P<2>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.5156	0.037	5	109.6085	0.027	138	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2{1|O<2>,3|C<4>,9|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.2154	0.132	5	109.6085	0.027	138	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2{1|Si<4>,1|P<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.2519	0.033	9	109.6085	0.027	138	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<2>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.5230	0.116	11	109.5764	0.015	125	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.5305	0.095	73	109.5764	0.015	125	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|N<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.5598	0.103	4	109.5764	0.015	125	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|O<2>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.7454	0.107	15	109.5764	0.015	125	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|S<2>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.6433	0.080	22	109.5764	0.015	125	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<2>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.6086	0.038	5	109.4663	0.028	108	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.6952	0.255	5	109.4663	0.028	108	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|P<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.1600	0.057	5	109.4663	0.028	108	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.4192	0.139	53	109.4663	0.028	108	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|O<2>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.6570	0.072	3	109.4663	0.028	108	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2{1|N<2>,3|C<4>,9|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.5028	0.107	5	109.4663	0.028	108	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2{1|N<3>,3|C<4>,9|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.5384	0.133	21	109.4663	0.028	108	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2{1|O<2>,4|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.4678	0.132	6	109.4663	0.028	108	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.4452	0.065	5	109.4663	0.028	108	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<2>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.3970	0.448	12	109.4768	0.080	421	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<2>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.6103	0.059	12	109.4768	0.080	421	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.4227	0.317	239	109.4768	0.080	421	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.5230	0.107	140	109.4768	0.080	421	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<3>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.7999	0.396	18	109.4768	0.080	421	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2F)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2F)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(H){1|F<1>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.9660	0.613	4	109.9660	0.376	4	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2F)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2F)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|F<1>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	110.6497	0.777	3	110.6497	0.604	3	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2Ge)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2Ge)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|Ge<4>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.6418	0.186	6	109.6418	0.035	6	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2I)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2I)(H)2{1|O<2>,2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|H<1>,2|I<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.9547	0.071	7	109.9547	0.005	7	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{4|H<1>,6|C<4>}	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(H){1|H<1>,2|N<3>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.3950	0.011	2	109.3950	0.000	2	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<3>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<4>,1|N<3>,2|C<3>}	H(C[6,6]C[3x6]2H)	104.1709	10.157	2	109.8172	0.861	1161	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[6,6]C[3x6]2H)	110.4289	1.408	8	109.8172	0.861	1161	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|H<1>,1|N<3>,1|O<2>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.6290	0.133	3	109.8172	0.861	1161	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|H<1>,2|N<4>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.8506	0.124	13	109.8172	0.861	1161	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.8278	0.812	308	109.8172	0.861	1161	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.7882	0.980	575	109.8172	0.861	1161	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.6899	0.980	31	109.8172	0.861	1161	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<4>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.9210	0.362	213	109.8172	0.861	1161	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<4>,5|C<4>}	H(C[6,6]C[3x6]2H)	110.0436	0.104	8	109.8172	0.861	1161	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2{1|O<2>,2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.8200	0.131	8	110.0089	0.348	184	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6,6]C[3x6]2H)	110.1933	0.793	6	110.0089	0.348	184	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|H<1>,1|N<3>,1|O<2>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.6937	0.014	3	110.0089	0.348	184	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[3x6]2H)	110.6256	0.805	16	110.0089	0.348	184	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.9524	0.537	151	110.0089	0.348	184	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|P<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.6451	0.129	29	109.6403	0.031	423	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|P<4>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.6399	0.179	394	109.6403	0.031	423	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|S<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.3996	0.778	21	109.6901	0.238	103	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|S<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.8336	0.130	67	109.6901	0.238	103	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|S<4>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.4555	0.711	15	109.6901	0.238	103	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|B<4>,1|C<4>,8|H<1>}	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H){1|H<1>,1|N<4>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.4451	0.072	7	109.5677	0.460	46	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|B<4>,1|C<4>,8|H<1>}	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H){1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.6040	0.969	9	109.5677	0.460	46	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|B<4>,1|C<4>,8|H<1>}	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H){1|N<4>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.4569	0.035	7	109.5677	0.460	46	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|B<4>,1|C<4>,8|H<1>}	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H){1|O<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.6245	0.765	23	109.5677	0.460	46	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]AuH)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Au<2>,2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]AuH)(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6830	0.033	5	109.6830	0.001	5	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.4110	0.166	22	109.4303	0.038	27	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(H){1|F<1>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.4715	0.328	4	109.4303	0.038	27	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{4|H<1>,6|C<4>}	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(H){1|H<1>,2|N<3>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.6910	0.000	1	109.4303	0.038	27	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{3|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)2(H){1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.9600	0.089	4	109.9600	0.008	4	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]CN)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]CN)(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6523	0.062	41	109.6523	0.004	41	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<2>,1|O<2>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6886	0.041	8	109.6848	1.682	104	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6351	0.074	12	109.6848	1.682	104	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|O<2>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.5351	1.003	36	109.6848	1.682	104	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|O<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.8088	1.703	48	109.6848	1.682	104	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]C[5]Al)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Al<4>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]C[5]Al)(C[6,6]C[3x6]HH)2(H){1|Ti<14>,3|H<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.7118	0.069	5	109.7118	0.005	5	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]C[5]C)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]C[5]C)(C[6,6]C[3x6]HH)2(H){1|Cr<8>,3|H<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.6964	0.051	5	109.6964	0.003	5	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]C[5]Ga)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Ga<5>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]C[5]Ga)(C[6,6]C[3x6]HH)2(H){1|Ti<15>,3|H<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.6944	0.034	5	109.6944	0.001	5	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]C[5]H)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]C[5]H)(C[6,6]C[3x6]HH)2(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.6932	0.082	6	109.7986	1.550	69	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]C[5]H)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{3|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]C[5]H)(C[6,6]C[3x6]HH)2(H){1|Ti<11>,3|H<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.6674	0.053	5	109.7986	1.550	69	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]C[5]H)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{3|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]C[5]H)(C[6,6]C[3x6]HH)2(H){1|Ti<12>,3|H<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.8353	1.407	54	109.7986	1.550	69	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]C[5]H)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{3|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]C[5]H)(C[6,6]C[3x6]HH)2(H){1|Ti<13>,3|H<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.6240	0.050	4	109.7986	1.550	69	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]C[5]Ti)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Ti<12>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]C[5]Ti)(C[6,6]C[3x6]HH)2(H){3|H<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.6059	0.741	34	109.6261	0.455	41	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]C[5]Ti)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Ti<13>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]C[5]Ti)(C[6,6]C[3x6]HH)2(H){3|H<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.7247	0.041	7	109.6261	0.455	41	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|O<1>,3|C<4>,5|H<1>}	C[3x6](C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)2(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.7795	0.018	2	109.8949	0.622	28	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{3|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)2(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.5330	0.027	2	109.8949	0.622	28	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{3|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)2(H){4|H<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.9347	0.846	24	109.8949	0.622	28	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]C[6]Cl)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Cl<1>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]C[6]Cl)(C[6,6]C[3x6]HH)2(H){4|H<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.6395	0.083	12	109.6395	0.007	12	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]C[6a]N[5a])(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]C[6a]N[5a])(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]2H)	109.5878	0.053	6	109.5878	0.003	6	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]C[6a]O)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]C[6a]O)(C[6,6]C[3x6]HH)2(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6771	0.095	7	109.6771	0.009	7	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]FeO)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Fe<6>,1|O<2>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]FeO)(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6967	0.124	13	109.6967	0.015	13	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|N<2>,2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7568	0.040	5	109.6663	0.010	76	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|N<3>,2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6599	0.101	71	109.6663	0.010	76	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6562	0.048	4	109.7032	0.310	105	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|O<2>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.5350	0.047	2	109.7032	0.310	105	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|O<2>,2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6658	0.125	6	109.7032	0.310	105	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|O<2>,2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.7263	0.088	7	109.7032	0.310	105	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|O<2>,2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7100	0.614	86	109.7032	0.310	105	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HS)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|S<2>,2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HS)(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6080	0.100	6	109.6080	0.010	6	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]OO)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,2|O<2>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]OO)(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.4825	3.000	31	109.4825	9.000	31	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]SS)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,2|S<2>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]SS)(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6494	0.111	11	109.6494	0.012	11	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[4x6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[4x6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.8985	0.005	2	109.9638	0.004	5	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[4x6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[4x6]HH)(H){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	110.0073	0.029	3	109.9638	0.004	5	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[5x6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[5x6]HH)(H){1|H<1>,1|I<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	110.0410	0.031	3	110.0410	0.001	3	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]2H)	109.8405	0.296	4	109.8887	0.058	6	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<4>,1|N<3>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.9850	0.006	2	109.8887	0.058	6	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Al<4>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7061	0.044	7	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Au<2>,2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7278	0.060	6	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<2>,1|O<2>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7093	0.074	6	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,1|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.8305	1.242	45	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6532	0.062	46	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6860	0.016	3	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6474	0.101	21	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7293	0.702	113	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6784	0.076	8	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.4329	0.193	22	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<4>,1|C<5>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|U<12>,1|N<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.9670	1.127	22	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Cl<1>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6248	0.050	14	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Fe<5>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.8236	0.111	8	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Fe<6>,1|O<2>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6909	0.088	14	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Ga<5>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6943	0.025	6	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|H<2>,2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.7708	0.069	5	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Ir<4>,1|Li<3>,1|H<2>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<5>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.8925	0.353	4	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Mn<8>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7606	0.113	7	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|N<2>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6868	0.094	6	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|N<2>,2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7423	0.053	6	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|N<3>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6554	0.088	8	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|N<3>,2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6381	0.121	65	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|N<4>,2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6332	0.095	18	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|O<1>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6755	0.008	2	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|O<1>,3|C<4>,5|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6425	0.037	2	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|O<2>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7640	0.069	2	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|O<2>,2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6598	0.128	6	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|O<2>,2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.7003	0.064	6	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|O<2>,2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.8453	0.508	85	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|O<2>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.5539	0.866	37	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|O<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6124	1.658	42	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Ru<6>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7562	0.037	5	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Ru<9>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.6490	0.176	4	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|S<2>,2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.5233	0.098	6	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Se<2>,2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7389	0.107	7	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Si<4>,1|O<2>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6973	0.061	10	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Si<4>,2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7224	0.046	5	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Ti<12>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.8702	0.834	34	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Ti<13>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7496	0.037	5	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Zn<4>,2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7428	0.028	8	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,2|O<2>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.9890	2.454	30	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,2|S<2>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6109	0.077	11	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.9495	0.036	2	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|Br<1>,1|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.6920	0.573	4	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|Br<1>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.6737	0.192	9	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.5448	0.384	102	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.7998	1.432	8	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.8465	0.729	4	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.8140	1.216	81	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.7695	0.505	1657	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<5>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.7183	0.050	4	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|Ge<4>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.7387	0.041	8	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|H<1>,1|N<3>,1|O<2>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.7320	0.015	4	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[3x6]2H)	110.1245	0.552	15	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|H<1>,2|C<2>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.9221	0.513	8	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.8098	1.148	122	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|H<1>,2|I<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.7490	0.023	3	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|H<1>,2|N<4>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.8259	0.083	8	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|H<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.7626	0.146	32	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|Ir<5>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.2110	0.135	12	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.6731	0.949	533	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7995	0.028	4	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.7570	0.778	1763	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<4>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.7199	0.364	350	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.7692	0.519	271	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|P<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.7893	0.070	61	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|P<4>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.8088	0.154	669	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|S<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.2893	0.814	33	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|S<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.7521	0.213	111	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|S<4>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	108.5217	1.713	23	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|Se<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.7409	0.142	12	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.8123	1.238	915	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7580	0.767	418	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{3|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.5560	0.000	1	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{3|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.9213	0.058	3	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{3|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6610	1.111	88	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|F<1>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	110.3632	0.777	4	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6791	0.036	7	109.7530	0.598	8116	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]N[4]H)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|N<4>,2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]N[4]H)(C[6,6]C[3x6]HH)2(H){2|Ga<4>,1|N<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6268	0.103	18	109.6268	0.011	18	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]RuC)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Ru<9>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]RuC)(C[6,6]C[3x6]HH)2(H){1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.6455	0.123	4	109.6455	0.015	4	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]SeH)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Se<2>,2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]SeH)(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6817	0.064	7	109.6817	0.004	7	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]Si[5]H)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Si<4>,2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]Si[5]H)(C[6,6]C[3x6]HH)2(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7080	0.045	7	109.7080	0.002	7	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]Si[5]O)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Si<4>,1|O<2>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]Si[5]O)(C[6,6]C[3x6]HH)2(H){2|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.6795	0.058	11	109.6795	0.003	11	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]ZnH)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Zn<4>,2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]ZnH)(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7336	0.018	5	109.7336	0.000	5	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[4,3x6]HH)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[4,3x6]HH)(C[6,6]C[3x6]HH)2(H){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.7936	1.181	7	109.7936	1.396	7	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H){1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.8200	0.000	1	109.3764	3.219	15	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	108.4022	3.645	4	109.3764	3.219	15	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]2H)	109.7090	0.035	6	109.3764	3.219	15	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.7408	0.017	4	109.3764	3.219	15	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2Ir)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2Ir)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|Ir<5>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.5056	0.196	5	109.5056	0.039	5	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[3])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[3])(C[3x6]C[6,6]2H)(H)2{2|Ge<5>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.6445	0.045	4	109.6445	0.002	4	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[4])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[4])(C[3x6]C[6,6]2H)(H)2{1|B<4>,1|C<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.8260	0.017	4	109.7070	0.019	25	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[4])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[4])(C[3x6]C[6,6]2H)(H)2{1|Si<5>,1|C<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.4997	0.085	6	109.7070	0.019	25	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[4])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[4])(C[3x6]C[6,6]2H)(H)2{2|C<4>,2|P<3>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.7583	0.062	15	109.7070	0.019	25	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{1|C<2>,1|N<2>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	110.5566	2.602	12	109.8142	0.506	348	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<2>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.9700	0.284	31	109.8142	0.506	348	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.7504	0.132	56	109.8142	0.506	348	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,4|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.6320	0.000	1	109.8142	0.506	348	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{1|Ru<9>,1|C<3>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.9120	0.042	4	109.8142	0.506	348	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{1|Si<4>,1|N<2>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.5899	0.062	9	109.8142	0.506	348	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.7761	0.623	231	109.8142	0.506	348	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{2|C<4>,2|S<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.9253	0.059	4	109.8142	0.506	348	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5a])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5a])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<2>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.9101	0.092	26	109.8854	0.012	30	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5a])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5a])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.7250	0.049	4	109.8854	0.012	30	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[6])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[6])(C[3x6]C[6,6]2H)(H)2{1|Ge<2>,1|C<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.5540	0.101	5	109.5540	0.010	5	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[6a])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[6a])(C[3x6]C[6,6]2H)(H)2{1|B<3>,1|C<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.5105	0.101	11	109.5625	0.015	15	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[6a])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[6a])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.7057	0.024	4	109.5625	0.015	15	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2P[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2P[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,4|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|P<4>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.8206	0.067	18	109.7365	0.019	28	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2P[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2P[5])(C[3x6]C[6,6]2H)(H)2{1|P<3>,3|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|P<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.6300	0.081	6	109.7365	0.019	28	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2P[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2P[5])(C[3x6]C[6,6]2H)(H)2{4|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|P<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.5178	0.048	4	109.7365	0.019	28	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2Se)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2Se)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|Se<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.8098	0.136	6	109.8098	0.018	6	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[3x6]C[6,6]2H)(H)2{1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H){1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.5803	0.053	3	109.5803	0.003	3	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H){1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.7440	0.135	4	109.7440	0.018	4	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|O<1>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.8602	0.072	8	109.8602	0.005	8	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]N[3x4,3x6a]C[6,6]2)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]N[3x4,3x6a]C[6,6]2)(C[3x6]C[6,6]2H)(H)2{3|Ge<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|N<4>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.6590	0.070	8	109.6590	0.005	8	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<4>,5|H<1>}	H(C[6,6]C[3x6]2H)	109.9330	0.000	1	109.9330	0.000	1	109.7296	0.618	13504	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:I-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2I)(H)2	C[3x6](C[6,6]C[3x6]HH)3(I)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2I)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(I){1|Br<1>,1|Cl<1>,1|F<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	110.3355	0.005	2	110.3355	0.000	2	110.1071	0.028	10	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:I-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2I)(H)2	C[3x6](C[6,6]C[3x6]HH)3(I)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2I)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(I){1|Br<1>,1|Cl<1>,1|F<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	110.1000	0.000	1	110.1000	0.000	1	110.1071	0.028	10	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:I-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2F)(C[3x6]C[6,6]2I)(H)2	C[3x6](C[6,6]C[3x6]HH)3(I)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2F)(C[3x6]C[6,6]2I)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(I){1|Br<1>,1|Cl<1>,1|F<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	110.1780	0.035	2	110.1780	0.001	2	110.1071	0.028	10	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:I-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2I)(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(I)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2I)(H)2{1|O<2>,2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(I){1|I<1>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.9888	0.129	5	109.9888	0.017	5	110.1071	0.028	10	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	N[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](N[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6a]O[6]H)(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[3x6](N[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6a]O[6]H)(H){2|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[3x6]2H)	109.9265	0.057	2	109.9265	0.003	2	109.9265	0.003	2	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	N[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]N[5,6,6]C[6,6]H)2(H)2	C[3x6](N[5,6,6]Ga[3x5,3x6]C[5]H)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]N[5,6,6]C[6,6]H)2(H)2{1|Ga<6>,3|C<4>,6|H<1>}	C[3x6](N[5,6,6]Ga[3x5,3x6]C[5]H)(C[6,6]C[3x6]HH)2(H){1|C<3>,1|C<4>,2|N<4>,3|O<2>,4|H<1>}	H(C[6,6]C[3x6]2H)	108.6793	0.048	3	108.6793	0.002	3	108.6793	0.002	3	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:I-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]O[6]H)(C[3x6]C[6,6]2H)(H)(I)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HI)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]2I)	C[6,6](C[3x6]C[4x6]O[6]H)(C[3x6]C[6,6]2H)(H)(I){1|C<3>,2|C<4>,5|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HI)(C[6,6]C[6,6]HH)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]2I)	107.6250	0.000	1	107.6250	0.000	1	107.6250	0.000	1	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4,6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]H)(C[4,6,6]C[4,6]2H)(H)2	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(C[6]C[6,6a]HH)(H)	H(C[6,6]C[4,6,6]C[3x6]H)	C[6,6](C[3x6]C[3x6]C[6]H)(C[4,6,6]C[4,6]2H)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(C[6]C[6,6a]HH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[3x6]H)	108.8847	0.024	4	108.8847	0.001	4	108.8847	0.001	4	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2C)(H)2	C[3x6](C[6,6]C[4x6]HH)3(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2C)(H)2{4|C<4>,6|H<1>}	C[3x6](C[6,6]C[4x6]HH)3(H){1|C<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	109.5540	0.014	3	109.3520	0.067	7	109.8958	0.546	136	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2C)(H)2	C[3x6](C[6,6]C[4x6]HH)3(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2C)(H)2{4|C<4>,6|H<1>}	C[3x6](C[6,6]C[4x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	108.9835	0.028	2	109.3520	0.067	7	109.8958	0.546	136	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2C)(H)2	C[3x6](C[6,6]C[4x6]HH)3(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2C)(H)2{4|C<4>,6|H<1>}	C[3x6](C[6,6]C[4x6]HH)3(H){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	109.4175	0.030	2	109.3520	0.067	7	109.8958	0.546	136	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	C[3x6](C[6,6]C[4x6]HH)3(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|C<2>,4|C<4>,5|H<1>}	C[3x6](C[6,6]C[4x6]HH)3(H){1|C<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	109.7838	0.033	5	109.9702	0.621	112	109.8958	0.546	136	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	C[3x6](C[6,6]C[4x6]HH)3(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[4x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	110.7795	1.547	12	109.9702	0.621	112	109.8958	0.546	136	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	C[3x6](C[6,6]C[4x6]HH)3(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|C<3>,4|C<4>,5|H<1>}	C[3x6](C[6,6]C[4x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	110.2585	0.042	4	109.9702	0.621	112	109.8958	0.546	136	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	C[3x6](C[6,6]C[4x6]HH)3(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|N<2>,4|C<4>,5|H<1>}	C[3x6](C[6,6]C[4x6]HH)3(H){1|N<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	109.8195	0.030	4	109.9702	0.621	112	109.8958	0.546	136	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	C[3x6](C[6,6]C[4x6]HH)3(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|N<2>,4|C<4>,5|H<1>}	C[3x6](C[6,6]C[4x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.7682	0.018	4	109.9702	0.621	112	109.8958	0.546	136	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	C[3x6](C[6,6]C[4x6]HH)3(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|N<4>,4|C<4>,5|H<1>}	C[3x6](C[6,6]C[4x6]HH)3(H){1|N<4>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	109.7483	0.240	13	109.9702	0.621	112	109.8958	0.546	136	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	C[3x6](C[6,6]C[4x6]HH)3(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|O<2>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[4x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	110.7288	1.120	5	109.9702	0.621	112	109.8958	0.546	136	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	C[3x6](C[6,6]C[4x6]HH)3(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|O<2>,4|C<4>,5|H<1>}	C[3x6](C[6,6]C[4x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.8710	0.508	9	109.9702	0.621	112	109.8958	0.546	136	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	C[3x6](C[6,6]C[4x6]HH)3(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|P<4>,4|C<4>,5|H<1>}	C[3x6](C[6,6]C[4x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.6743	0.030	3	109.9702	0.621	112	109.8958	0.546	136	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	C[3x6](C[6,6]C[4x6]HH)3(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{4|C<4>,6|H<1>}	C[3x6](C[6,6]C[4x6]HH)3(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	110.3263	0.052	4	109.9702	0.621	112	109.8958	0.546	136	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	C[3x6](C[6,6]C[4x6]HH)3(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{4|C<4>,6|H<1>}	C[3x6](C[6,6]C[4x6]HH)3(H){1|N<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	109.7630	0.022	4	109.9702	0.621	112	109.8958	0.546	136	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	C[3x6](C[6,6]C[4x6]HH)3(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{4|C<4>,6|H<1>}	C[3x6](C[6,6]C[4x6]HH)3(H){1|N<4>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	109.8488	0.085	5	109.9702	0.621	112	109.8958	0.546	136	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	C[3x6](C[6,6]C[4x6]HH)3(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{4|C<4>,6|H<1>}	C[3x6](C[6,6]C[4x6]HH)3(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	109.7800	0.060	4	109.9702	0.621	112	109.8958	0.546	136	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	C[3x6](C[6,6]C[4x6]HH)3(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{4|C<4>,6|H<1>}	C[3x6](C[6,6]C[4x6]HH)3(H){1|P<4>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	109.8310	0.062	3	109.9702	0.621	112	109.8958	0.546	136	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	C[3x6](C[6,6]C[4x6]HH)3(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{4|C<4>,6|H<1>}	C[3x6](C[6,6]C[4x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.8892	0.905	23	109.9702	0.621	112	109.8958	0.546	136	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	C[3x6](C[6,6]C[4x6]HH)3(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{5|C<4>,5|H<1>}	C[3x6](C[6,6]C[4x6]HH)3(H){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	109.7355	0.053	4	109.9702	0.621	112	109.8958	0.546	136	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	C[3x6](C[6,6]C[4x6]HH)3(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{5|C<4>,5|H<1>}	C[3x6](C[6,6]C[4x6]HH)3(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.3607	0.381	6	109.9702	0.621	112	109.8958	0.546	136	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2N)(H)2	C[3x6](C[6,6]C[4x6]HH)3(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2N)(H)2{1|N<4>,4|C<4>,5|H<1>}	C[3x6](C[6,6]C[4x6]HH)3(H){1|N<4>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	109.5794	0.070	5	109.6503	0.034	13	109.8958	0.546	136	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2N)(H)2	C[3x6](C[6,6]C[4x6]HH)3(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2N)(H)2{4|C<4>,6|H<1>}	C[3x6](C[6,6]C[4x6]HH)3(H){1|N<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	109.6610	0.049	4	109.6503	0.034	13	109.8958	0.546	136	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2N)(H)2	C[3x6](C[6,6]C[4x6]HH)3(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2N)(H)2{4|C<4>,6|H<1>}	C[3x6](C[6,6]C[4x6]HH)3(H){1|N<4>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	109.7283	0.334	4	109.6503	0.034	13	109.8958	0.546	136	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2O)(H)2	C[3x6](C[6,6]C[4x6]HH)3(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2O)(H)2{4|C<4>,6|H<1>}	C[3x6](C[6,6]C[4x6]HH)3(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	109.5425	0.015	2	109.5425	0.000	2	109.8958	0.546	136	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2P)(H)2	C[3x6](C[6,6]C[4x6]HH)3(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2P)(H)2{4|C<4>,6|H<1>}	C[3x6](C[6,6]C[4x6]HH)3(H){1|P<4>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	109.5785	0.018	2	109.5785	0.000	2	109.8958	0.546	136	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,5,3x6]C[6,6]H)(C[5,6,6]C[5,4x6]C[5]H)(H)2	C[3x6](C[5,5,3x6]C[5,5,3x6]O[5,5]O[5,6])(C[6,6]C[5,6,6]HH)(C[6,6]C[3x6]HO)(H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[3x6]C[5,5,3x6]C[6,6]H)(C[5,6,6]C[5,4x6]C[5]H)(H)2{1|H<1>,4|C<4>,5|O<2>}	C[3x6](C[5,5,3x6]C[5,5,3x6]O[5,5]O[5,6])(C[6,6]C[5,6,6]HH)(C[6,6]C[3x6]HO)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[5,6,6]C[3x6]H)	109.3465	0.037	2	109.3465	0.001	2	109.3465	0.001	2	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|F<1>,4|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	109.5580	0.031	2	109.6277	0.010	4	109.6277	0.010	4	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2{2|F<1>,4|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	109.6975	0.100	2	109.6277	0.010	4	109.6277	0.010	4	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[5x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[5x6]C[4x6]2C[6])(H)2	C[3x6](C[4x6]O[6,6]2C[6])(C[6,6]C[5x6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]C[5x6]H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[5x6]C[4x6]2C[6])(H)2{1|C<3>,3|O<2>,4|H<1>,5|C<4>}	C[3x6](C[4x6]O[6,6]2C[6])(C[6,6]C[5x6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[5x6]H)	111.5050	5.049	2	111.5050	25.490	2	111.5050	25.490	2	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:Br-1:H-1:	C[4,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]BrH)(Br)(H)	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]Br)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]BrH)(Br)(H){3|C<4>,4|H<1>}	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H){2|Br<1>,2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]Br)	106.7050	0.874	2	106.7050	0.764	2	106.7050	0.764	2	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:Br-1:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]BrH)(Br)(H)	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]Br)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]BrH)(Br)(H){3|C<4>,4|H<1>}	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H){1|Br<1>,1|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]Br)	107.0685	0.244	2	107.0685	0.060	2	107.0685	0.060	2	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:Cl-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]CH)(Cl)(H)	C[3x6](C[6,6]C[6,6]ClH)(C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[6,6]Cl)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]CH)(Cl)(H){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]ClH)(C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]Cl)	108.4910	0.000	1	108.4910	0.000	1	108.4910	0.000	1	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3,5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,5,6,6]C[6,6]H)(C[6,6]C[6]2H)(H)2	C[3x6](C[3,5,6,6]C[3,5,6]C[3,6]C[5])(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3,5,6,6]C[6,6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[3x6](C[3,5,6,6]C[3,5,6]C[3,6]C[5])(C[6,6]C[6,6]HH)2(H){2|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.6497	0.053	4	109.6497	0.003	4	109.6497	0.003	4	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3,6,6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[4x6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3,6,6]C[4x6]H)(C[6,6]C[3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(H){1|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6912	0.097	4	109.6912	0.009	4	109.6912	0.009	4	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[5,4x6]HH)(H)2	C[3x6](C[3,6,6]C[3,6,6]O[3]C)(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[5,4x6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[3,6,6]C[3,6,6]O[3]C)(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.3178	0.076	5	109.3178	0.006	5	109.3178	0.006	5	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[3x6]C[3x6]2Cr)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|Cr<9>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[3x6]2Cr)(C[6,6]C[6,6]HH)2(H){4|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	108.9223	0.742	12	108.9223	0.551	12	109.3130	2.882	22	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]HH)2(H){1|N<3>,1|O<1>,3|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5348	4.060	4	109.5348	16.484	4	109.3130	2.882	22	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]BrH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2{1|Br<1>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]BrH)(C[6,6]C[6,6]HH)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8845	0.049	2	109.8845	0.002	2	109.3130	2.882	22	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.1525	0.651	2	110.1525	0.424	2	109.3130	2.882	22	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6]O[6]C)(H)2	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6]O[6]C)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H){1|O<1>,1|O<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8025	0.057	2	109.8025	0.003	2	109.3130	2.882	22	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4,3x6]C[6]H)(C[6,6]C[4,6,6]HH)(H)2	C[3x6](C[4,3x6]C[4,6,6]C[4,6]C)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4,3x6]C[6]H)(C[6,6]C[4,6,6]HH)(H)2{3|H<1>,4|C<4>}	C[3x6](C[4,3x6]C[4,6,6]C[4,6]C)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	108.8035	0.026	4	108.8132	0.001	5	108.8361	0.002	7	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4,3x6]C[6]H)(C[6,6]C[4,6,6]HH)(H)2	C[3x6](C[4,3x6]C[4,6,6]C[4,6]C)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4,3x6]C[6]H)(C[6,6]C[4,6,6]HH)(H)2{3|H<1>,4|C<4>}	C[3x6](C[4,3x6]C[4,6,6]C[4,6]C)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	108.8520	0.000	1	108.8132	0.001	5	108.8361	0.002	7	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4,3x6]C[6]H)(C[6,6]C[4,6,6]HH)(H)2	C[3x6](C[4,3x6]C[4,6,6]C[4,6]H)(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4,3x6]C[6]H)(C[6,6]C[4,6,6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[3x6](C[4,3x6]C[4,6,6]C[4,6]H)(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H){1|S<4>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	108.8935	0.019	2	108.8935	0.000	2	108.8361	0.002	7	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|Br<1>,3|C<4>,3|H<1>}	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H){2|Br<1>,2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.3607	0.169	4	109.3607	0.029	4	109.4638	0.043	6	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2	C[3x6](C[4,6,6]C[4,5,6,6]O[4]H)(C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[3x6](C[4,6,6]C[4,5,6,6]O[4]H)(C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(H){3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6700	0.048	2	109.6700	0.002	2	109.4638	0.043	6	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-4:Cl-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]Cl)(C[6,6]C[5,3x6]HH)(H)2	C[3x6](C[4x6]C[5,4x6]C[3x6]H)(C[6,6]C[5,6,6]ClH)(C[6,6]C[6,6]HH)(Cl)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4x6]C[6,6]Cl)(C[6,6]C[5,3x6]HH)(H)2{2|Cl<1>,2|H<1>,3|C<4>}	C[3x6](C[4x6]C[5,4x6]C[3x6]H)(C[6,6]C[5,6,6]ClH)(C[6,6]C[6,6]HH)(Cl){1|Cl<1>,1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.1250	0.018	2	110.1250	0.000	2	110.1250	0.000	2	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|Br<1>,3|C<4>,3|H<1>}	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H){1|Br<1>,1|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7415	0.163	4	109.7415	0.027	4	109.7415	0.027	4	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.3440	0.197	4	109.3440	0.039	4	109.6407	0.019	46	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5,6,6]C[5,6,6]2Li)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|Li<7>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]2Li)(C[6,6]C[6,6]HH)2(H){4|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6716	0.101	7	109.6716	0.010	7	109.6407	0.019	46	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]N)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]N)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7090	0.017	2	109.7090	0.000	2	109.6407	0.019	46	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6567	0.036	3	109.6456	0.002	18	109.6407	0.019	46	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6531	0.052	12	109.6456	0.002	18	109.6407	0.019	46	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6047	0.014	3	109.6456	0.002	18	109.6407	0.019	46	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5]Li)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|Li<7>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]Li)(C[6,6]C[6,6]HH)2(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5940	0.076	8	109.5940	0.006	8	109.6407	0.019	46	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.7590	0.057	4	109.7590	0.003	4	109.6407	0.019	46	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2{3|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9060	0.033	2	109.8557	0.008	3	109.6407	0.019	46	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2{3|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7550	0.000	1	109.8557	0.008	3	109.6407	0.019	46	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[5x6]C[4x6]S[6,6]2)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,2|S<2>,3|H<1>}	C[3x6](C[5x6]C[4x6]S[6,6]2)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,2|S<2>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6017	0.214	6	109.6017	0.046	6	109.6017	0.046	6	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:F-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2F)(C[6,6]N[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)3(F)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2F)(C[6,6]N[3x6]HH)(H)2{2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)3(F){1|N<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8923	0.203	18	109.8923	0.041	18	109.8923	0.041	18	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0790	2.690	2	110.0790	7.235	2	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]CH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]CH)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.8320	0.124	2	109.8320	0.015	2	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6355	0.071	2	109.8716	0.074	27	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|N<3>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9992	0.098	4	109.8716	0.074	27	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|N<3>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){1|C<3>,1|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	110.2750	0.035	2	109.8716	0.074	27	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|N<3>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.6270	0.216	7	109.8716	0.074	27	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|N<3>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.8870	0.023	4	109.8716	0.074	27	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|N<3>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7597	0.032	4	109.8716	0.074	27	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|N<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.4300	0.008	2	109.8716	0.074	27	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|N<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.9395	0.018	2	109.8716	0.074	27	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[3x6](C[6,6]C[6,6]HH)3(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)3(H){1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6966	0.153	9	109.6966	0.023	9	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]P[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|P<4>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]P[6,6]HH)(H){1|Pd<4>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6273	0.206	4	109.5890	0.021	10	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]P[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|P<4>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]P[6,6]HH)(H){1|Pt<4>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6155	0.085	4	109.5890	0.021	10	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]P[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|P<4>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]P[6,6]HH)(H){3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.4595	0.045	2	109.5890	0.021	10	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.2638	5.373	4	109.6231	6.434	15	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7427	0.587	9	109.6231	6.434	15	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,1|O<1>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8040	0.038	2	109.6231	6.434	15	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]CN)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CN)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	107.7515	5.483	4	107.7515	30.064	4	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8420	0.030	2	109.8420	0.001	2	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9075	0.023	2	109.8690	0.023	14	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6800	0.028	2	109.8690	0.023	14	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<2>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H){1|C<4>,1|N<2>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7470	0.025	4	109.8690	0.023	14	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H){1|C<4>,1|N<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0005	0.111	6	109.8690	0.023	14	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|N<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){1|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8135	0.149	2	109.8135	0.022	2	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]O[6,6]CC)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]O[6,6]CC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0030	0.000	1	108.7340	0.919	5	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]O[6,6]CC)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]O[6,6]CC)(H){1|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	108.4168	0.744	4	108.7340	0.919	5	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)3(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)3(H){1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8924	0.108	15	109.8430	0.043	39	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)3(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|N<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8122	0.248	24	109.8430	0.043	39	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(H)2{1|N<2>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H){1|C<4>,1|N<2>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5747	0.077	4	109.8391	0.055	11	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H){1|C<4>,1|N<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9901	0.126	7	109.8391	0.055	11	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(H)2	C[3x6](C[6,6]C[6,6]HH)3(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|N<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.3364	0.205	12	109.3364	0.042	12	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(H)2{1|C<4>,1|N<3>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[3x6]C[6,6]H)	109.9253	0.048	3	109.9253	0.002	3	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]O[6,6]CC)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]O[6,6]CC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7595	0.006	2	109.7595	0.000	2	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]N[3x6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(H)2{1|C<4>,1|N<3>,5|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]N[3x6]HH)(H){1|C<3>,1|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.7115	0.023	2	109.7115	0.001	2	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2{2|H<1>,5|C<4>}	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.1595	0.025	2	110.1595	0.001	2	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HI)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2{1|I<1>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HI)(C[6,6]C[6,6]HH)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8120	0.006	2	109.8120	0.000	2	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]HH)(H){2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7733	0.131	6	109.7733	0.017	6	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(H){2|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7293	0.044	3	109.7293	0.002	3	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(H){2|C<4>,2|H<1>,3|O<2>}	H(C[6,6]C[3x6]C[6,6]H)	109.5180	0.013	2	109.5180	0.000	2	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]HH)(H)2	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]HH)(H)2{3|C<4>,4|H<1>}	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]HH)(H){3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8175	0.012	2	109.8175	0.000	2	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|Al<5>,1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0418	0.169	4	110.0451	1.580	156	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|B<4>,1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7405	0.149	4	110.0451	1.580	156	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|B<4>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7775	0.042	2	110.0451	1.580	156	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|N<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0305	0.013	2	110.0451	1.580	156	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0919	0.931	41	110.0451	1.580	156	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.1109	1.581	78	110.0451	1.580	156	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7678	0.944	18	110.0451	1.580	156	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{3|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0069	0.102	7	110.0451	1.580	156	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|Al<5>,1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.1483	0.166	4	109.8656	2.709	169	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|B<4>,1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8880	0.028	3	109.8656	2.709	169	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|B<4>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8810	0.075	3	109.8656	2.709	169	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|N<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8230	0.000	1	109.8656	2.709	169	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8274	1.051	42	109.8656	2.709	169	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9224	2.177	84	109.8656	2.709	169	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6362	0.853	20	109.8656	2.709	169	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{3|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0669	0.141	8	109.8656	2.709	169	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{3|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|N<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5205	0.054	4	109.8656	2.709	169	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|N<4>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H){1|N<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4769	0.134	22	109.4769	0.018	22	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HO)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HO)(H){1|C<3>,1|N<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0662	0.069	17	109.8538	0.043	191	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HO)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HO)(H){1|N<3>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0674	0.054	7	109.8538	0.043	191	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HO)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HO)(H){1|N<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8143	0.209	151	109.8538	0.043	191	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HO)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HO)(H){1|N<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9070	0.120	16	109.8538	0.043	191	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)3(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|Al<4>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7692	0.104	4	109.7987	0.340	180	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)3(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|B<4>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9226	0.187	7	109.7987	0.340	180	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)3(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|Cu<4>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7890	0.785	8	109.7987	0.340	180	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)3(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|F<1>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.1880	0.010	2	109.7987	0.340	180	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)3(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|Ga<4>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8132	0.058	12	109.7987	0.340	180	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)3(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|In<4>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6532	0.613	17	109.7987	0.340	180	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)3(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|Li<4>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.1132	1.948	12	109.7987	0.340	180	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)3(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|Sn<4>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8228	0.075	6	109.7987	0.340	180	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)3(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|Zn<5>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9045	0.042	11	109.7987	0.340	180	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)3(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)3(H){1|N<3>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7996	0.336	37	109.7987	0.340	180	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)3(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)3(H){1|C<3>,1|N<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8901	0.132	8	109.7987	0.340	180	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)3(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7452	0.169	56	109.7987	0.340	180	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,1|N<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6898	0.058	4	109.6898	0.003	4	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(H)2{3|H<1>,4|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9455	0.015	2	109.9455	0.000	2	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[6]2C)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2C)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[6]2C)(H)2{2|C<4>,2|H<1>,4|C<3>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2C)2(H){2|C<4>,2|N<3>,2|O<1>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0025	0.012	2	110.0025	0.000	2	109.8370	1.113	904	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(N[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(N[6,6]C[6,6]HH)(H){1|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.2910	0.236	4	109.2910	0.056	4	109.2910	0.056	4	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:P[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(P[6,6]C[6,6]CC)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|H<1>,5|C<4>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(P[6,6]C[6,6]CC)(H){3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4775	0.046	2	109.4775	0.002	2	109.4775	0.002	2	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	N[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](N[5,6,6]N[5,6,6]C[5]H)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[3x6](N[5,6,6]N[5,6,6]C[5]H)(C[6,6]C[6,6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0135	0.008	2	110.0135	0.000	2	110.0135	0.000	2	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	P[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](P[6,6]C[6,6]PdC)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|Pd<4>,2|H<1>,4|C<4>}	C[3x6](P[6,6]C[6,6]PdC)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H){3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5445	0.090	4	109.5445	0.008	4	109.4694	0.013	8	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	P[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3x6](P[6,6]C[6,6]PtC)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|Pt<4>,2|H<1>,4|C<4>}	C[3x6](P[6,6]C[6,6]PtC)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H){3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.3942	0.078	4	109.3942	0.006	4	109.4694	0.013	8	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:N[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(H)2{2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]N[6,6]H)	110.2090	0.023	2	110.2090	0.001	2	109.8115	0.111	6	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:N[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CO)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CO)(H)2{2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]N[6,6]H)	109.7550	0.025	2	109.7550	0.001	2	109.8115	0.111	6	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:N[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){1|C<4>,6|H<1>}	H(C[6,6]C[3x6]N[6,6]H)	109.4705	0.005	2	109.4705	0.000	2	109.8115	0.111	6	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:P[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(P[6,6]C[3x6]CC)(H)2	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]P[6,6]HH)(H)	H(C[6,6]C[3x6]P[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(P[6,6]C[3x6]CC)(H)2{3|H<1>,4|C<4>}	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]P[6,6]HH)(H){3|H<1>,4|C<4>}	H(C[6,6]C[3x6]P[6,6]H)	110.0585	0.091	2	110.0585	0.008	2	110.0585	0.008	2	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,3x6]C[4,3x6]2H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[4,3x6]HH)(C[6,6]C[4x6]HH)2(H)	H(C[6,6]C[4,3x6]C[3x6]H)	C[6,6](C[4,3x6]C[4,3x6]2H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,5|H<1>}	C[3x6](C[6,6]C[4,3x6]HH)(C[6,6]C[4x6]HH)2(H){3|C<4>,3|H<1>}	H(C[6,6]C[4,3x6]C[3x6]H)	110.0078	0.168	6	110.0078	0.028	6	109.9263	0.298	14	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,3x6]C[4,6,6]C[6,6]C[4])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[4,3x6]HH)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[4,3x6]C[3x6]H)	C[6,6](C[4,3x6]C[4,6,6]C[6,6]C[4])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[3x6](C[6,6]C[4,3x6]HH)(C[6,6]C[3x6]HH)2(H){2|H<1>,4|C<4>}	H(C[6,6]C[4,3x6]C[3x6]H)	109.6615	0.931	4	109.8651	0.523	8	109.9263	0.298	14	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,3x6]C[4,6,6]C[6,6]C[4])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[4,3x6]HH)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[4,3x6]C[3x6]H)	C[6,6](C[4,3x6]C[4,6,6]C[6,6]C[4])(C[3x6]C[6,6]2H)(H)2{4|C<4>,8|H<1>}	C[3x6](C[6,6]C[4,3x6]HH)(C[6,6]C[3x6]HH)2(H){2|H<1>,4|C<4>}	H(C[6,6]C[4,3x6]C[3x6]H)	110.0687	0.493	4	109.8651	0.523	8	109.9263	0.298	14	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[3x6]C[3x6]C[5,6]H)(H)2	C[3x6](C[3x6]C[4,3x6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[4,6,6]HH)(H)	H(C[6,6]C[4,6,6]C[3x6]H)	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[3x6]C[3x6]C[5,6]H)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[3x6](C[3x6]C[4,3x6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[4,6,6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[4,6,6]C[3x6]H)	109.5200	0.068	2	109.5200	0.005	2	109.5200	0.005	2	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[3x6]H)(C[3x6]C[3x6]C[6,6]H)(H)2	C[3x6](C[3x6]C[5,4x6]C[6]C)(C[6,6]C[4x6]HH)(C[6,6]N[3x6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[5,3x6]C[3x6]H)(C[3x6]C[3x6]C[6,6]H)(H)2{1|N<3>,1|O<2>,3|H<1>,5|C<4>}	C[3x6](C[3x6]C[5,4x6]C[6]C)(C[6,6]C[4x6]HH)(C[6,6]N[3x6]HH)(H){3|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	109.7450	0.004	2	109.7450	0.000	2	109.7450	0.000	2	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[4x6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[6,6]2H)(H)2{4|C<4>,9|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[4x6]HH)(H){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	109.4207	0.055	4	109.4207	0.003	4	109.5965	0.471	46	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]HH)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	109.3890	0.021	2	109.3890	0.000	2	109.5965	0.471	46	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]OO)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|H<1>,3|O<2>,4|C<4>}	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]OO)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	109.7293	0.068	3	109.6690	0.018	4	109.5965	0.471	46	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]OO)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]OO)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.4880	0.000	1	109.6690	0.018	4	109.5965	0.471	46	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[4,3x6]C[3x6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[4,3x6]HH)(C[6,6]C[4x6]HH)2(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[4,3x6]C[3x6]H)(C[3x6]C[6,6]2H)(H)2{3|C<4>,7|H<1>}	C[3x6](C[6,6]C[4,3x6]HH)(C[6,6]C[4x6]HH)2(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.4442	0.133	6	109.4141	0.045	11	109.5965	0.471	46	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[4,3x6]C[3x6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[4,3x6]HH)(C[6,6]C[4x6]HH)2(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[4,3x6]C[3x6]H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	C[3x6](C[6,6]C[4,3x6]HH)(C[6,6]C[4x6]HH)2(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.3780	0.295	5	109.4141	0.045	11	109.5965	0.471	46	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[4x6]C[5x6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6x6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[4x6]C[5x6]H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6x6]HH)(H){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	109.8178	1.385	11	109.8178	1.918	11	109.5965	0.471	46	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]2H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,3x6]HH)2(C[6,6]C[4x6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[5,3x6]2H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	C[3x6](C[6,6]C[5,3x6]HH)2(C[6,6]C[4x6]HH)(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.5320	0.000	1	109.5320	0.000	1	109.5965	0.471	46	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[5,6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[5,6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]HH)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	109.6015	0.005	2	109.6015	0.000	2	109.5965	0.471	46	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]HH)(H){3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.6385	0.121	4	109.6385	0.015	4	109.5965	0.471	46	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]OO)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]OO)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.9540	0.006	2	109.7022	0.054	5	109.5965	0.471	46	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]OO)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,3|H<1>,3|O<2>}	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]OO)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	109.5343	0.037	3	109.7022	0.054	5	109.5965	0.471	46	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[6,6a]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[4x6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[6,6a]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(H)2{1|N<3>,2|C<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[4x6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	109.4755	0.071	2	109.4755	0.005	2	109.5965	0.471	46	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[3,6,6]C[6,6]H)(H)2	C[3x6](C[3,6,6]C[3,6,6]O[3]C)(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[3,6,6]C[6,6]H)(H)2{1|O<1>,2|H<1>,2|O<2>,5|C<4>}	C[3x6](C[3,6,6]C[3,6,6]O[3]C)(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6,6]C[5,3x6]C[3x6]H)	110.0944	0.055	5	110.0944	0.003	5	110.0944	0.003	5	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[3x6]C[4x6]C[6]H)(H)2	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5,6]CC)(H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[3x6]C[4x6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,6|C<4>}	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5,6]CC)(H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[5,3x6]C[3x6]H)	109.8255	0.006	2	109.7988	0.001	6	110.0111	0.098	21	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[3x6]C[4x6]C[6]H)(H)2	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5,6]CC)(H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[3x6]C[4x6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,6|C<4>}	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5,6]CC)(H){1|C<3>,1|O<1>,2|C<4>,2|N<3>,4|H<1>}	H(C[6,6]C[5,3x6]C[3x6]H)	109.7855	0.027	4	109.7988	0.001	6	110.0111	0.098	21	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[3x6]C[4x6]C[6]H)(H)2	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5a,6]CC)(H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[3x6]C[4x6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5a,6]CC)(H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,3|H<1>}	H(C[6,6]C[5,3x6]C[3x6]H)	109.8520	0.210	7	109.8861	0.038	9	110.0111	0.098	21	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[3x6]C[4x6]C[6]H)(H)2	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5a,6]CC)(H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[3x6]C[4x6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5a,6]CC)(H){1|C<4>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	H(C[6,6]C[5,3x6]C[3x6]H)	110.0055	0.009	2	109.8861	0.038	9	110.0111	0.098	21	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[3x6]C[4x6]C[6]H)(H)2	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[6,6a]HH)(H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[3x6]C[4x6]C[6]H)(H)2{1|N<2>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6,6]C[5,3x6]C[3x6]H)	110.5000	0.164	2	110.5000	0.027	2	110.0111	0.098	21	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[3x6]C[4x6]C[6]H)(H)2	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[3x6]C[4x6]C[6]H)(H)2{1|C<3>,1|N<2>,2|O<2>,3|C<4>,4|H<1>}	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6,6]C[5,3x6]C[3x6]H)	110.3662	0.277	4	110.3662	0.077	4	110.0111	0.098	21	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,3x6]C[5,4x6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]CO)(H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]C[5,3x6]C[5,4x6]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,2|O<2>,7|C<4>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]CO)(H){3|C<4>,4|H<1>}	H(C[6,6]C[5,3x6]C[3x6]H)	109.3790	0.000	1	109.3790	0.000	1	109.9183	1.343	27	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2H)(H)2{1|N<3>,2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6,6]C[5,3x6]C[3x6]H)	109.1107	0.023	3	109.1107	0.001	3	109.9183	1.343	27	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6,6]C[5,3x6]C[3x6]H)	109.9938	0.090	4	109.9938	0.008	4	109.9183	1.343	27	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,4x6]O[5]O[6])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]C[5,4x6]O[5]O[6])(C[3x6]C[6,6]2H)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	H(C[6,6]C[5,3x6]C[3x6]H)	110.3885	4.175	2	110.3885	17.435	2	109.9183	1.343	27	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,3x6]HH)2(C[6,6]C[4x6]HH)(H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	C[3x6](C[6,6]C[5,3x6]HH)2(C[6,6]C[4x6]HH)(H){3|C<4>,3|H<1>}	H(C[6,6]C[5,3x6]C[3x6]H)	109.8030	0.016	2	109.8030	0.000	2	109.9183	1.343	27	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[3x6]C[6,6]2H)(H)2{1|N<2>,2|C<3>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[5,3x6]C[3x6]H)	109.8762	0.036	5	109.8762	0.001	5	109.9183	1.343	27	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]2H)(H)2{1|N<3>,3|C<4>,9|H<1>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H){2|H<1>,4|C<4>}	H(C[6,6]C[5,3x6]C[3x6]H)	109.7087	0.147	4	109.7087	0.021	4	109.9183	1.343	27	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]N[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]N[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H){1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[5,3x6]C[3x6]H)	109.9535	0.760	2	109.9535	0.578	2	109.9183	1.343	27	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,2|C<4>,7|H<1>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[3x6]HH)2(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[5,3x6]C[3x6]H)	110.6505	1.979	4	110.6505	3.916	4	109.9183	1.343	27	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5]2)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,5,6,6]HH)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]HO)(H)	H(C[6,6]C[5,5,6,6]C[3x6]H)	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5]2)(C[3x6]C[6,6]2H)(H)2{4|C<4>,4|O<2>,5|H<1>}	C[3x6](C[6,6]C[5,5,6,6]HH)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]HO)(H){1|H<1>,2|O<2>,4|C<4>}	H(C[6,6]C[5,5,6,6]C[3x6]H)	109.3270	0.011	2	109.3270	0.000	2	109.3270	0.000	2	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:Br-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[3x6]C[6,6]H)(Br)(H)	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]BrH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[5,6,6]C[3x6]Br)	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[3x6]C[6,6]H)(Br)(H){4|C<4>,4|H<1>}	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]BrH)(C[6,6]C[6,6]HH)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6,6]C[5,6,6]C[3x6]Br)	108.4520	0.000	1	108.4520	0.000	1	108.4520	0.000	1	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:Br-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(Br)(H)	C[3x6](C[6,6]C[5,6,6]BrH)(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]HH)(H)	H(C[6,6]C[5,6,6]C[3x6]Br)	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(Br)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[3x6](C[6,6]C[5,6,6]BrH)(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]HH)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6,6]C[5,6,6]C[3x6]Br)	108.7070	0.000	1	108.6110	0.018	2	108.6110	0.018	2	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:Br-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(Br)(H)	C[3x6](C[6,6]C[5,6,6]BrH)(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]HH)(H)	H(C[6,6]C[5,6,6]C[3x6]Br)	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(Br)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[3x6](C[6,6]C[5,6,6]BrH)(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[5,6,6]C[3x6]Br)	108.5150	0.000	1	108.6110	0.018	2	108.6110	0.018	2	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:Cl-1:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-4:Cl-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5,6,6]Cl)(C[3x6]C[4x6]C[6,6]Cl)(Cl)(H)	C[3x6](C[4x6]C[5,4x6]C[3x6]H)(C[6,6]C[5,6,6]ClH)(C[6,6]C[6,6]HH)(Cl)	H(C[6,6]C[5,6,6]C[3x6]Cl)	C[6,6](C[5,6,6]C[5,3x6]C[5,6,6]Cl)(C[3x6]C[4x6]C[6,6]Cl)(Cl)(H){1|Cl<1>,1|C<3>,4|C<4>,4|H<1>}	C[3x6](C[4x6]C[5,4x6]C[3x6]H)(C[6,6]C[5,6,6]ClH)(C[6,6]C[6,6]HH)(Cl){1|Cl<1>,1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[3x6]Cl)	107.9750	0.000	1	107.9750	0.000	1	107.9750	0.000	1	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,3x6]C[5]C)(C[3x6]C[5,6,6]C[6,6]H)(H)2	C[3x6](C[5,6,6]C[5,6,6]S[5]2)(C[6,6]C[5,6,6]HH)2(H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]C)(C[3x6]C[5,6,6]C[6,6]H)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>,2|S<2>}	C[3x6](C[5,6,6]C[5,6,6]S[5]2)(C[6,6]C[5,6,6]HH)2(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,4|C<4>}	H(C[6,6]C[5,6,6]C[3x6]H)	108.5450	0.069	2	108.5450	0.005	2	109.1735	0.528	4	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,3x6]N[5]H)(C[3x6]C[5,6,6]C[6,6]H)(H)2	C[3x6](C[5,6,6]C[5,6,6]S[5]2)(C[6,6]C[5,6,6]HH)2(H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,5,3x6]N[5]H)(C[3x6]C[5,6,6]C[6,6]H)(H)2{2|C<4>,2|H<1>,2|S<2>,3|C<3>}	C[3x6](C[5,6,6]C[5,6,6]S[5]2)(C[6,6]C[5,6,6]HH)2(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,4|C<4>}	H(C[6,6]C[5,6,6]C[3x6]H)	109.8020	0.020	2	109.8020	0.000	2	109.1735	0.528	4	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]2)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,6,6]HH)3(H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5]2)(C[3x6]C[6,6]2H)(H)2{1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)3(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[5,6,6]C[3x6]H)	109.6555	0.032	2	109.6555	0.001	2	109.8418	0.386	44	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]Br)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,6,6]BrH)(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]HH)(H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5]Br)(C[3x6]C[6,6]2H)(H)2{1|Br<1>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[3x6](C[6,6]C[5,6,6]BrH)(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]HH)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6,6]C[5,6,6]C[3x6]H)	109.8820	0.020	2	109.8820	0.000	2	109.8418	0.386	44	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,6,6]HH)2(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)2(C[6,6]C[6,6]HH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6,6]C[5,6,6]C[3x6]H)	109.3643	0.072	7	109.3643	0.005	7	109.8418	0.386	44	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6,6]C[5,6,6]C[3x6]H)	109.8480	0.034	2	109.8480	0.001	2	109.8418	0.386	44	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,6,6]BrH)(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]HH)(H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|Br<1>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[3x6](C[6,6]C[5,6,6]BrH)(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	109.7835	0.006	2	109.7835	0.000	2	109.8418	0.386	44	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]N[5,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,6|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]N[5,6,6]HH)(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6,6]C[5,6,6]C[3x6]H)	109.8050	0.079	5	109.8050	0.006	5	109.8418	0.386	44	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,6,6]HH)2(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)2(C[6,6]C[6,6]HH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6,6]C[5,6,6]C[3x6]H)	109.6430	0.145	6	109.6430	0.021	6	109.8418	0.386	44	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,6,6]HH)3(H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)3(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[5,6,6]C[3x6]H)	109.4335	0.008	2	109.4335	0.000	2	109.8418	0.386	44	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[3x6]C[6,6]2H)(H)2{1|O<1>,4|C<4>,4|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	109.9510	0.031	2	109.9510	0.001	2	109.8418	0.386	44	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]O[5]2)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,6,6]HH)3(H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]O[5]2)(C[3x6]C[6,6]2H)(H)2{4|H<1>,5|C<4>}	C[3x6](C[6,6]C[5,6,6]HH)3(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[5,6,6]C[3x6]H)	109.7585	0.039	2	109.7585	0.002	2	109.8418	0.386	44	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,4x6]C[5]C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,6,6]HH)2(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,4x6]C[5]C)(C[3x6]C[6,6]2H)(H)2{1|O<1>,4|C<4>,4|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)2(C[6,6]C[3x6]HH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|C<4>}	H(C[6,6]C[5,6,6]C[3x6]H)	109.5355	0.005	2	109.5355	0.000	2	109.8418	0.386	44	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,6,6]HH)2(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)2(C[6,6]C[3x6]HH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|C<4>}	H(C[6,6]C[5,6,6]C[3x6]H)	109.6730	0.007	2	109.6730	0.000	2	109.8418	0.386	44	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,5,6,6]HH)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]HO)(H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|O<2>,4|C<4>,5|H<1>}	C[3x6](C[6,6]C[5,5,6,6]HH)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]HO)(H){1|H<1>,2|O<2>,4|C<4>}	H(C[6,6]C[5,6,6]C[3x6]H)	109.9545	0.080	2	109.9545	0.006	2	109.8418	0.386	44	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]N[5,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6]2H)(H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,6]2H)(C[3x6]C[6,6]2H)(H)2{2|N<3>,4|C<4>,4|H<1>}	C[3x6](C[6,6]N[5,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6]2H)(H){1|N<3>,3|C<4>,7|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	111.4920	0.993	4	111.4920	0.986	4	109.8418	0.386	44	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]N[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]N[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,4|H<1>,5|C<4>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<4>,5|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	109.8445	0.032	2	109.8445	0.001	2	109.8418	0.386	44	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5x6]C[3x6]C[5x6]C[6,6])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[5x6]HH)(H)	H(C[6,6]C[3x6]C[5x6]H)	C[6,6](C[5x6]C[3x6]C[5x6]C[6,6])(C[3x6]C[6,6]2H)(H)2{1|I<1>,6|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[5x6]HH)(H){1|H<1>,1|I<1>,4|C<4>}	H(C[6,6]C[3x6]C[5x6]H)	109.3363	0.037	3	109.3363	0.001	3	109.3363	0.001	3	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[3x6]-4:Cl-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]ClH)(C[3x6]C[6,6]2H)(Cl)(H)	C[3x6](C[6,6]C[6,6]ClH)(C[6,6]C[6,6]HO)2(H)	H(C[6,6]C[3x6]C[6,6]Cl)	C[6,6](C[6,6]C[3x6]ClH)(C[3x6]C[6,6]2H)(Cl)(H){2|C<4>,2|O<2>,3|H<1>}	C[3x6](C[6,6]C[6,6]ClH)(C[6,6]C[6,6]HO)2(H){1|Cl<1>,1|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]Cl)	108.4475	0.777	2	108.4475	0.604	2	108.4475	0.604	2	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3,6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,4|H<1>,5|C<4>}	C[3x6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9925	0.093	2	109.9925	0.009	2	109.6733	0.834	60	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]CH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]CH)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	110.0375	0.013	2	110.0375	0.000	2	109.6733	0.834	60	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|N<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	110.1045	0.015	2	109.8218	0.029	9	109.6733	0.834	60	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){1|C<3>,1|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.7640	0.000	1	109.8218	0.029	9	109.6733	0.834	60	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.7802	0.021	4	109.8218	0.029	9	109.6733	0.834	60	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|N<3>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){2|C<4>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.6510	0.042	2	109.8218	0.029	9	109.6733	0.834	60	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|N<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.2365	0.011	2	109.8111	0.035	18	109.6733	0.834	60	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7205	0.005	2	109.8111	0.035	18	109.6733	0.834	60	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8080	0.060	4	109.8111	0.035	18	109.6733	0.834	60	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.7336	0.161	7	109.8111	0.035	18	109.6733	0.834	60	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7727	0.060	3	109.8111	0.035	18	109.6733	0.834	60	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9380	0.000	1	109.9380	0.000	1	109.6733	0.834	60	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]N[5,6,6]HH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]N[5,6,6]HH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|S<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4557	0.117	4	109.4557	0.014	4	109.6733	0.834	60	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]HN)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,3x6]HN)(C[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.3800	0.007	2	109.3800	0.000	2	109.6733	0.834	60	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5415	0.044	4	109.5415	0.002	4	109.6733	0.834	60	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	105.6230	1.930	2	105.6230	3.726	2	109.6733	0.834	60	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,4x6]HN)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,4x6]HN)(C[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.1360	2.920	2	110.1360	8.528	2	109.6733	0.834	60	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]N[6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9530	0.025	2	109.9530	0.001	2	109.6733	0.834	60	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[6]N[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(C[6,6]C[6]2H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,7|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.2245	0.019	2	110.0182	0.026	6	109.6733	0.834	60	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[6]N[6]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(C[6,6]C[6]2H)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,7|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9150	0.024	4	110.0182	0.026	6	109.6733	0.834	60	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[6,6]HH)3(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]N[3x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)3(H){1|C<3>,1|N<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9565	0.046	4	109.9565	0.002	4	109.6733	0.834	60	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]N[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2{3|H<1>,4|C<4>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6480	0.024	2	109.6480	0.001	2	109.6733	0.834	60	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6x6]C[5x6]2C[6,6])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6x6]HH)(H)	H(C[6,6]C[3x6]C[6x6]H)	C[6,6](C[6x6]C[5x6]2C[6,6])(C[3x6]C[6,6]2H)(H)2{5|C<4>,8|H<1>}	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6x6]HH)(H){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6x6]H)	110.0778	1.831	6	110.0778	3.352	6	110.2869	1.389	27	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6x6]C[6,6]C[6x6]2)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[6x6]HH)3(H)	H(C[6,6]C[3x6]C[6x6]H)	C[6,6](C[6x6]C[6,6]C[6x6]2)(C[3x6]C[6,6]2H)(H)2{1|O<2>,5|C<4>,7|H<1>}	C[3x6](C[6,6]C[6x6]HH)3(H){6|C<4>}	H(C[6,6]C[3x6]C[6x6]H)	110.5970	0.788	6	110.3467	0.951	21	110.2869	1.389	27	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6x6]C[6,6]C[6x6]2)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[6x6]HH)3(H)	H(C[6,6]C[3x6]C[6x6]H)	C[6,6](C[6x6]C[6,6]C[6x6]2)(C[3x6]C[6,6]2H)(H)2{5|C<4>,8|H<1>}	C[3x6](C[6,6]C[6x6]HH)3(H){6|C<4>}	H(C[6,6]C[3x6]C[6x6]H)	110.2465	1.048	15	110.3467	0.951	21	110.2869	1.389	27	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	P[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](P[6,6]C[3x6]PdC)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]P[6,6]HH)(H)	H(C[6,6]C[3x6]P[6,6]H)	C[6,6](P[6,6]C[3x6]PdC)(C[3x6]C[6,6]2H)(H)2{3|H<1>,4|C<4>}	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]P[6,6]HH)(H){1|Pd<4>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]P[6,6]H)	109.4535	0.136	4	109.4535	0.019	4	109.4599	0.009	7	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	P[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](P[6,6]C[3x6]PtC)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]P[6,6]HH)(H)	H(C[6,6]C[3x6]P[6,6]H)	C[6,6](P[6,6]C[3x6]PtC)(C[3x6]C[6,6]2H)(H)2{3|H<1>,4|C<4>}	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]P[6,6]HH)(H){1|Pt<4>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]P[6,6]H)	109.4683	0.019	3	109.4683	0.000	3	109.4599	0.009	7	109.7351	0.650	15460	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[3,6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[3,6,6]C[3,5,6]2H)(H)2	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(OSi)	H(C[6,6]C[3,6,6]C[3x6]H)	C[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[3,6,6]C[3,5,6]2H)(H)2{1|H<1>,7|C<4>}	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(OSi){10|H<1>,1|C<3>,4|C<4>}	H(C[6,6]C[3,6,6]C[3x6]H)	108.9605	0.015	2	108.9605	0.000	2	108.9605	0.000	2	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(OH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[3x6]C[6,6]2H)(H)2{2|H<1>,2|O<2>,6|C<4>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(OH){1|O<2>,5|C<4>,9|H<1>}	H(C[6,6]C[3x6]2H)	109.3690	0.024	2	109.3975	0.002	4	109.3975	0.002	4	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(OH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[3x6]C[6,6]2H)(H)2{2|H<1>,2|O<2>,6|C<4>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(OH){2|O<2>,5|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	109.4260	0.034	2	109.3975	0.002	4	109.3975	0.002	4	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[3x6]C[5,4x6]C[6]H)(H)2	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(OC)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[3x6]C[5,4x6]C[6]H)(H)2{1|C<4>,2|C<3>,2|N<3>,2|O<2>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(OC){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[3x6]2H)	109.4725	0.114	2	109.4725	0.013	2	109.4725	0.013	2	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[4x6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[4x6]C[3x6]3)(OC)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[4x6]C[3x6]3)(OC){5|H<1>,7|C<4>}	H(C[6,6]C[3x6]2H)	108.6280	2.789	4	108.6280	7.778	4	108.6280	7.778	4	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CC)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CC){1|C<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.4726	0.839	16	109.5947	0.277	57	109.6178	0.246	87	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CC)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CC){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6423	0.339	41	109.5947	0.277	57	109.6178	0.246	87	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CN)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CN){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.9704	0.112	13	109.9704	0.012	13	109.6178	0.246	87	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(CC)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CC){1|C<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.3169	0.720	7	109.4255	0.205	17	109.6178	0.246	87	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(CC)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CC){6|C<4>}	H(C[6,6]C[3x6]2H)	109.5015	0.054	10	109.4255	0.205	17	109.6178	0.246	87	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NC)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NC){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6372	0.994	124	109.6372	0.988	124	109.4976	0.879	307	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NC[5])	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NC[5]){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7242	0.147	4	109.7242	0.022	4	109.4976	0.879	307	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NC[5a])	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NC[5a]){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6920	0.109	4	109.6920	0.012	4	109.4976	0.879	307	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NCo)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NCo){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6786	0.124	11	109.6786	0.015	11	109.4976	0.879	307	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NCr)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NCr){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6286	0.188	10	109.6286	0.035	10	109.4976	0.879	307	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NFe)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NFe){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.3619	0.557	31	109.3619	0.310	31	109.4976	0.879	307	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NN)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NN){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7425	0.148	21	109.7425	0.022	21	109.4976	0.879	307	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NNi)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NNi){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.5460	0.086	6	109.5460	0.007	6	109.4976	0.879	307	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NP)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NP){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.4049	0.079	29	109.4049	0.006	29	109.4976	0.879	307	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NP[4])	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NP[4]){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6512	0.127	5	109.6512	0.016	5	109.4976	0.879	307	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NRu)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NRu){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	110.0862	0.163	6	110.0862	0.027	6	109.4976	0.879	307	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NS)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NS){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	107.9025	2.302	17	107.9025	5.299	17	109.4976	0.879	307	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NSi[4])	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NSi[4]){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.2842	0.032	5	109.2842	0.001	5	109.4976	0.879	307	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NSi[5])	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NSi[5]){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.4638	0.026	5	109.4638	0.001	5	109.4976	0.879	307	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NV)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NV){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6089	0.138	29	109.6089	0.019	29	109.4976	0.879	307	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]2)(C[3x6]C[6,6]2O)(H)2	C[3x6](C[6,6]C[3x6]HH)3(OH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]C[6,6]2)(C[3x6]C[6,6]2O)(H)2{5|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(OH){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	108.0212	0.480	6	108.0212	0.230	6	109.6940	0.421	201	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2O)(H)2	C[3x6](C[6,6]C[3x6]HH)3(OH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(OH){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.6130	0.266	3	109.6070	0.035	5	109.6940	0.421	201	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2O)(H)2	C[3x6](C[6,6]C[3x6]HH)3(OH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(OH){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.5980	0.013	2	109.6070	0.035	5	109.6940	0.421	201	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(OC)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2{1|O<2>,2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(OC){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.9295	0.093	2	109.9295	0.009	2	109.6940	0.421	201	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(OH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2{1|O<2>,2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(OH){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6923	0.108	4	109.6923	0.012	4	109.6940	0.421	201	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2	C[3x6](C[6,6]C[3x6]HH)3(OC)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(OC){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7802	0.680	103	109.7802	0.462	103	109.6940	0.421	201	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2	C[3x6](C[6,6]C[3x6]HH)3(OC[6])	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(OC[6]){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7914	0.079	5	109.7914	0.006	5	109.6940	0.421	201	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2	C[3x6](C[6,6]C[3x6]HH)3(OH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(OH){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.5608	0.479	5	109.3491	0.515	24	109.6940	0.421	201	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2	C[3x6](C[6,6]C[3x6]HH)3(OH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(OH){1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.6883	0.036	3	109.3491	0.515	24	109.6940	0.421	201	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2	C[3x6](C[6,6]C[3x6]HH)3(OH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(OH){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.2193	0.820	16	109.3491	0.515	24	109.6940	0.421	201	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2	C[3x6](C[6,6]C[3x6]HH)3(OP)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(OP){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.9528	0.054	23	109.9528	0.003	23	109.6940	0.421	201	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2	C[3x6](C[6,6]C[3x6]HH)3(OP[4])	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(OP[4]){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.9040	0.104	10	109.9040	0.011	10	109.6940	0.421	201	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2	C[3x6](C[6,6]C[3x6]HH)3(OSi)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(OSi){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7140	0.101	6	109.7140	0.010	6	109.6940	0.421	201	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2	C[3x6](C[6,6]C[3x6]HH)3(OTi)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(OTi){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.4925	0.045	6	109.4925	0.002	6	109.6940	0.421	201	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N)(C[3x6]C[6,6]2O)(H)2	C[3x6](C[6,6]C[3x6]HH)3(OH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(OH){1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.7035	0.008	2	109.7035	0.000	2	109.6940	0.421	201	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2O)(C[3x6]N[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(ON)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2O)(C[3x6]N[6,6]2H)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(ON){3|H<1>,3|N<3>}	H(C[6,6]C[3x6]2H)	110.0822	0.093	5	110.0822	0.009	5	109.6940	0.421	201	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:S-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2	C[3x6](C[6,6]C[3x6]HH)3(SC)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(SC){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.8555	0.083	17	109.8555	0.007	17	109.4107	0.661	23	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:S-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2	C[3x6](C[6,6]C[3x6]HH)3(SRe)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(SRe){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	108.1503	0.555	6	108.1503	0.308	6	109.4107	0.661	23	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:Se-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2Se)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(SeW)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2Se)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(SeW){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7317	0.144	6	109.7317	0.021	6	109.7317	0.021	6	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[4x6]C[4x6]2H)(H)2	C[3x6](C[6,6]C[4x6]HH)3(CC)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2C)(C[4x6]C[4x6]2H)(H)2{4|C<4>,6|H<1>}	C[3x6](C[6,6]C[4x6]HH)3(CC){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.5575	0.025	6	109.5575	0.001	6	109.5575	0.001	6	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6,6]-4:	C[6,6](C[3x6]C[4,6,6]C[6]O[6])(C[6,6]C[4,6,6]HH)(H)2	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[5,6])	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4,6,6]C[6]O[6])(C[6,6]C[4,6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[5,6]){1|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	108.4630	0.198	8	108.4630	0.039	8	108.3479	0.044	14	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6,6]-4:	C[6,6](C[3x6]C[4,6,6]C[6]O[6])(C[6,6]C[4,6,6]HH)(H)2	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6,6])	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4,6,6]C[6]O[6])(C[6,6]C[4,6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	108.1945	0.106	6	108.1945	0.011	6	108.3479	0.044	14	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:C[6]-4:S[6]-2:	C[6,6]-4:	C[6,6](C[3x6]C[4,6,6]C[6]S[6])(C[6,6]C[4,6,6]HH)(H)2	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[6]S[6]HH)(S[6]C[5,6])	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4,6,6]C[6]S[6])(C[6,6]C[4,6,6]HH)(H)2{1|C<3>,1|S<2>,2|C<4>,4|H<1>}	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[6]S[6]HH)(S[6]C[5,6]){1|C<3>,1|S<2>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4038	1.857	4	109.4038	3.450	4	109.4038	3.450	4	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(H)2	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(OC)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(OC){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5560	0.000	1	109.5560	0.000	1	109.5560	0.000	1	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)3(CC)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<2>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)3(CC){1|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6383	0.169	80	109.6383	0.029	80	109.6383	0.029	80	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O[6,6]-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]CH)(H)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6]C[6]O[6]H)(O[6,6]C[6,6])	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6]C[6]O[6]H)(O[6,6]C[6,6]){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5640	0.010	2	109.5640	0.000	2	109.5640	0.000	2	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6,6a]C[6]C)(H)2	C[3x6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6,6a]C[6]C)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6]){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6125	0.006	2	109.6125	0.000	2	109.6125	0.000	2	109.5512	0.614	745	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x5,4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x5,4x6]C[3x5,3x6]C[3x5,5x6]C[5,5])(C[3x6]C[6,6]2C[6a])(H)2	C[3x6](C[6,6]C[3x5,4x6]HH)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HH)(C[6a]C[6a]2)	H(C[6,6]C[3x5,4x6]C[3x6]H)	C[6,6](C[3x5,4x6]C[3x5,3x6]C[3x5,5x6]C[5,5])(C[3x6]C[6,6]2C[6a])(H)2{1|O<1>,2|C<3>,5|H<1>,6|C<4>}	C[3x6](C[6,6]C[3x5,4x6]HH)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HH)(C[6a]C[6a]2){3|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[3x5,4x6]C[3x6]H)	110.1095	0.009	2	110.1095	0.000	2	110.1095	0.000	2	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[5,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[5,6]C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[4x6]C[6,6]N[3x6]H)(C[5,6]C[5]C[6]N[5])(C[6,6]C[3x6]HH)(COO)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[5,6]C)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|C<4>,2|N<3>,5|H<1>}	C[3x6](C[4x6]C[6,6]N[3x6]H)(C[5,6]C[5]C[6]N[5])(C[6,6]C[3x6]HH)(COO){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[3x6]2H)	109.6495	0.019	2	109.6495	0.000	2	109.6495	0.000	2	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2C)(H)2	C[3x6](C[6,6]C[3x6]HH)3(COO)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2C)(H)2{1|O<2>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(COO){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7470	0.034	2	109.7470	0.001	2	109.5411	0.668	556	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CAlP)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CAlP){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.4895	0.076	11	109.4895	0.006	11	109.5411	0.668	556	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CCC)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CCC){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.4876	0.082	8	109.4876	0.007	8	109.5411	0.668	556	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CCN)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CCN){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.4115	0.114	17	109.4115	0.013	17	109.5411	0.668	556	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CCO)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CCO){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.5060	1.015	2	109.3860	0.681	32	109.5411	0.668	556	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CCO)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CCO){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.3780	0.832	30	109.3860	0.681	32	109.5411	0.668	556	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CC[3]H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CC[3]H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6254	0.121	5	109.6254	0.015	5	109.5411	0.668	556	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CC[4]H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CC[4]H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.5191	0.063	10	109.5191	0.004	10	109.5411	0.668	556	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CC[5]P[4])	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CC[5]P[4]){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.3348	0.079	10	109.3348	0.006	10	109.5411	0.668	556	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CC[5a]O)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CC[5a]O){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7822	0.241	6	109.7822	0.058	6	109.5411	0.668	556	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CC[6a]O)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CC[6a]O){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.5910	0.152	22	109.5910	0.023	22	109.5411	0.668	556	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CGe[6]O)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CGe[6]O){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6800	0.097	5	109.6800	0.009	5	109.5411	0.668	556	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CNN)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CNN){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.4608	0.103	12	109.4608	0.011	12	109.5411	0.668	556	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CNO)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CNO){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6000	0.013	2	109.6460	0.020	109	109.5411	0.668	556	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CNO)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CNO){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.4623	0.069	3	109.6460	0.020	109	109.5411	0.668	556	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CNO)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CNO){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.7534	0.143	14	109.6460	0.020	109	109.5411	0.668	556	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CNO)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CNO){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6364	0.133	90	109.6460	0.020	109	109.5411	0.668	556	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(COO)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(COO){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.2010	1.390	64	109.4234	1.074	131	109.5411	0.668	556	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(COO)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(COO){1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.2004	1.149	8	109.4234	1.074	131	109.5411	0.668	556	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(COO)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(COO){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.7602	0.057	4	109.4234	1.074	131	109.5411	0.668	556	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(COO)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(COO){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6902	0.119	55	109.4234	1.074	131	109.5411	0.668	556	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(COP)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(COP){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6357	0.055	6	109.6357	0.003	6	109.5411	0.668	556	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(COS)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(COS){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.3717	1.651	30	109.4602	2.052	40	109.5411	0.668	556	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(COS)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(COS){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7258	0.052	10	109.4602	2.052	40	109.5411	0.668	556	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CPW)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CPW){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.9098	0.127	6	109.9098	0.016	6	109.5411	0.668	556	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CSi2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CSi2){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.1534	0.142	10	109.1534	0.020	10	109.5411	0.668	556	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CSi[6]O)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CSi[6]O){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6607	0.059	6	109.6607	0.004	6	109.5411	0.668	556	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(COO)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(COO){1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	110.9818	0.912	4	110.9818	0.832	4	109.5411	0.668	556	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2O)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CCO)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CCO){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	108.5400	0.000	1	108.5400	0.000	1	109.5411	0.668	556	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2O)(H)2	C[3x6](C[6,6]C[3x6]HH)3(COO)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(COO){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.7635	0.018	2	109.7635	0.000	2	109.5411	0.668	556	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]S[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CCO)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]S[6,6]2H)(H)2{2|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CCO){3|H<1>,3|S<2>}	H(C[6,6]C[3x6]2H)	109.0588	0.093	10	109.0588	0.009	10	109.5411	0.668	556	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)2(H)2	C[3x6](C[6,6]C[3x6]C[6a]H)(C[6,6]C[3x6]HH)2(CNO)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)2(H)2{1|C<3>,2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]C[6a]H)(C[6,6]C[3x6]HH)2(CNO){1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.3858	0.046	6	109.3858	0.002	6	109.5411	0.668	556	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(CNO)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CNO){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.5737	0.195	7	109.5737	0.038	7	109.5411	0.668	556	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(COO)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(COO){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.6788	0.844	31	109.6845	0.374	59	109.5411	0.668	556	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(COO)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(COO){3|C<3>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.6908	0.103	28	109.6845	0.374	59	109.5411	0.668	556	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(COS)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(COS){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.9525	2.279	16	109.9525	5.194	16	109.5411	0.668	556	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2C)(H)2	C[3x6](C[6,6]C[3x6]HH)3(COO)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2C)(H)2{1|C<3>,1|N<2>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(COO){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.6143	0.018	3	109.6143	0.000	3	109.5411	0.668	556	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[3]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[3])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(C[3]Si[3]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[3])(C[3x6]C[6,6]2H)(H)2{1|Si<2>,1|Si<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[3]Si[3]2){1|Si<4>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.3608	0.120	6	109.3608	0.014	6	109.3608	0.014	6	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[4]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[4])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(C[4]P[4]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[4])(C[3x6]C[6,6]2H)(H)2{1|P<2>,1|P<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[4]P[4]2){1|C<3>,1|P<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.4285	0.090	6	109.4285	0.008	6	109.4285	0.008	6	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(C[5]C[5]N[5])	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[5]C[5]N[5]){1|Br<1>,1|N<2>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.2757	0.765	3	109.5051	0.243	7	109.6356	0.026	111	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(C[5]C[5]N[5])	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[5]C[5]N[5]){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	H(C[6,6]C[3x6]2H)	109.6773	0.058	4	109.5051	0.243	7	109.6356	0.026	111	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|N<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]2){1|C<3>,1|N<2>,1|N<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7147	0.096	14	109.6362	0.012	76	109.6356	0.026	111	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|N<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]2){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.6178	0.122	35	109.6362	0.012	76	109.6356	0.026	111	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|N<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]2){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6193	0.079	27	109.6362	0.012	76	109.6356	0.026	111	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]O[5])	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|O<2>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]O[5]){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7352	0.083	17	109.7007	0.009	23	109.6356	0.026	111	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]O[5])	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|O<2>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]O[5]){3|H<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.6030	0.038	6	109.7007	0.009	23	109.6356	0.026	111	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]P[5])	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|P<2>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]P[5]){2|N<2>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.5098	0.025	5	109.5098	0.001	5	109.6356	0.026	111	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(C[5a]N[5a]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|N<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[5a]N[5a]2){1|C<3>,1|N<2>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.5573	0.059	6	109.5573	0.004	6	109.5573	0.004	6	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]2){1|Dy<12>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.4387	0.134	15	109.4381	0.015	58	109.4768	0.025	72	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]2){1|Er<12>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.4056	0.156	14	109.4381	0.015	58	109.4768	0.025	72	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]2){1|Gd<12>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.4435	0.112	13	109.4381	0.015	58	109.4768	0.025	72	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]2){1|Ti<7>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.4690	0.106	11	109.4381	0.015	58	109.4768	0.025	72	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]2){1|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[3x6]2H)	109.4458	0.055	5	109.4381	0.015	58	109.4768	0.025	72	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]N[6])	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<2>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]N[6]){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.5915	0.054	6	109.6301	0.042	11	109.4768	0.025	72	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]N[6])	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]N[6]){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.6764	0.312	5	109.6301	0.042	11	109.4768	0.025	72	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(C[6]N[6]O[6])	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|O<2>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6]N[6]O[6]){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6633	0.073	3	109.6633	0.005	3	109.4768	0.025	72	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){1|O<1>,2|N<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	111.6168	3.868	6	109.5064	0.292	375	109.4379	0.258	483	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.4220	0.131	135	109.5064	0.292	375	109.4379	0.258	483	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){1|O<3>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.4235	0.132	10	109.5064	0.292	375	109.4379	0.258	483	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){1|S<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.3514	0.078	5	109.5064	0.292	375	109.4379	0.258	483	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){2|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[3x6]2H)	109.4408	0.076	65	109.5064	0.292	375	109.4379	0.258	483	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){3|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.5304	0.103	139	109.5064	0.292	375	109.4379	0.258	483	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){3|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]2H)	109.5895	0.349	15	109.5064	0.292	375	109.4379	0.258	483	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6a])2(H)2	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6a])2(H)2{2|C<4>,4|C<3>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){2|H<1>,3|C<4>,5|C<3>}	H(C[6,6]C[3x6]2H)	109.3313	0.728	6	109.2001	0.068	108	109.4379	0.258	483	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6a])2(H)2	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6a])2(H)2{2|C<4>,4|C<3>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){3|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.1916	0.142	74	109.2001	0.068	108	109.4379	0.258	483	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6a])2(H)2	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6a])2(H)2{2|C<4>,4|C<3>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){3|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]2H)	109.1945	0.336	28	109.2001	0.068	108	109.4379	0.258	483	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NCH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NCH){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	108.7185	0.644	4	108.7185	0.414	4	109.4976	0.885	716	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NHS)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NHS){1|H<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.2730	0.978	63	109.2730	0.956	63	109.4976	0.885	716	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(NCH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{4|H<1>,6|C<4>}	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(NCH){1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.4815	0.005	2	109.4815	0.000	2	109.4976	0.885	716	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NAlC)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NAlC){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.8789	1.372	18	109.8789	1.881	18	109.4976	0.885	716	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NAlN)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NAlN){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.5861	0.091	9	109.5861	0.008	9	109.4976	0.885	716	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NBC)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NBC){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7060	0.070	11	109.7060	0.005	11	109.4976	0.885	716	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NCC)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NCC){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6019	1.020	23	109.6019	1.041	23	109.4976	0.885	716	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NCH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NCH){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	108.7736	1.454	8	109.3241	1.318	151	109.4976	0.885	716	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NCH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NCH){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.5660	0.110	4	109.3241	1.318	151	109.4976	0.885	716	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NCH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NCH){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.3489	1.142	139	109.3241	1.318	151	109.4976	0.885	716	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NC[3x6]O)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NC[3x6]O){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.3533	0.191	12	109.3533	0.037	12	109.4976	0.885	716	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NC[5a]C[6a])	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NC[5a]C[6a]){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6265	0.056	6	109.6265	0.003	6	109.4976	0.885	716	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NC[6]H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NC[6]H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.5775	0.178	11	109.5775	0.032	11	109.4976	0.885	716	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NC[6]Zr)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NC[6]Zr){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.5875	0.097	11	109.5875	0.009	11	109.4976	0.885	716	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NC[6a]C)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NC[6a]C){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.5479	0.065	9	109.5479	0.004	9	109.4976	0.885	716	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NC[6a]H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NC[6a]H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.3287	0.943	21	109.3287	0.889	21	109.4976	0.885	716	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NCoC)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NCoC){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6331	0.094	38	109.6331	0.009	38	109.4976	0.885	716	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NCoSi)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NCoSi){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.3546	0.112	12	109.3546	0.013	12	109.4976	0.885	716	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NFe2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NFe2){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.5221	0.060	8	109.5221	0.004	8	109.4976	0.885	716	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NFeH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NFeH){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.4518	0.049	5	109.4518	0.002	5	109.4976	0.885	716	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NFeN)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NFeN){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.5689	0.176	29	109.5689	0.031	29	109.4976	0.885	716	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NFeP)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NFeP){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.4837	0.120	18	109.4837	0.014	18	109.4976	0.885	716	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NGe2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NGe2){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.5670	0.087	4	109.5670	0.008	4	109.4976	0.885	716	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NHP)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NHP){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.1914	1.855	12	109.1914	3.443	12	109.4976	0.885	716	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NHS)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NHS){1|H<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	110.0954	1.203	31	109.7987	1.840	87	109.4976	0.885	716	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NHS)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NHS){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6345	1.418	56	109.7987	1.840	87	109.4976	0.885	716	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NLiC)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NLiC){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.5600	0.084	5	109.5600	0.007	5	109.4976	0.885	716	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NMgC)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NMgC){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6029	0.050	8	109.6029	0.003	8	109.4976	0.885	716	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NNi2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NNi2){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7360	0.163	6	109.7360	0.026	6	109.4976	0.885	716	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NNiC)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NNiC){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.3343	0.181	6	109.3343	0.033	6	109.4976	0.885	716	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NNiH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NNiH){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6119	0.114	16	109.6119	0.013	16	109.4976	0.885	716	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NP[4]H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NP[4]H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6554	0.081	5	109.6554	0.007	5	109.4976	0.885	716	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NReC)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NReC){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7843	0.056	6	109.7843	0.003	6	109.4976	0.885	716	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NRhN)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NRhN){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.9148	0.089	6	109.9148	0.008	6	109.4976	0.885	716	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NSS)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NSS){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7434	0.072	12	109.7434	0.005	12	109.4976	0.885	716	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NScP)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NScP){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.4882	0.198	37	109.4882	0.039	37	109.4976	0.885	716	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NSiH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NSiH){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6388	0.082	8	109.6388	0.007	8	109.4976	0.885	716	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NSi[4]Si)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NSi[4]Si){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.3625	0.031	4	109.3625	0.001	4	109.4976	0.885	716	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NSnP)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NSnP){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.4766	0.229	8	109.4766	0.052	8	109.4976	0.885	716	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NTaC)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NTaC){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.3398	0.102	6	109.3398	0.010	6	109.4976	0.885	716	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NZrC)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NZrC){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.5487	0.041	3	109.5487	0.002	3	109.4976	0.885	716	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N)(C[3x6]C[6,6]2O)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NCH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NCH){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.7000	0.007	2	109.7000	0.000	2	109.4976	0.885	716	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N)2(H)2	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(NCH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N)2(H)2{4|H<1>,6|C<4>}	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(NCH){1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	108.8430	0.055	2	108.8430	0.003	2	109.4976	0.885	716	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N)2(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(NOO)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N)2(H)2{1|C<4>,1|N<3>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(NOO){2|N<3>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.1231	2.515	12	109.1231	6.328	12	109.4976	0.885	716	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[3]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[3])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(N[3]Ge[3x3]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[3])(C[3x6]C[6,6]2H)(H)2{2|Ge<5>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[3]Ge[3x3]2){2|B<4>,3|C<4>,3|H<1>,4|N<3>}	H(C[6,6]C[3x6]2H)	109.6195	0.058	4	109.6195	0.003	4	109.6195	0.003	4	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[4]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[4])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(N[4]B[4]C[4])	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[4])(C[3x6]C[6,6]2H)(H)2{1|B<4>,1|C<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[4]B[4]C[4]){1|S<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.8203	0.009	3	109.8203	0.000	3	109.7199	0.013	26	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[4]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[4])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(N[4]P[4]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[4])(C[3x6]C[6,6]2H)(H)2{2|C<4>,2|P<3>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[4]P[4]2){2|Cl<1>,1|N<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7574	0.062	18	109.7574	0.004	18	109.7199	0.013	26	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[4]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[4])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(N[4]Si[4]C[4])	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[4])(C[3x6]C[6,6]2H)(H)2{1|Si<5>,1|C<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[4]Si[4]C[4]){2|Cl<1>,1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.5246	0.056	5	109.5246	0.003	5	109.7199	0.013	26	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)2(N[5]C[5]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,4|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)2(N[5]C[5]2){1|Ru<6>,1|N<3>,4|C<4>,5|H<1>}	H(C[6,6]C[3x6]2H)	109.5468	0.120	4	109.5468	0.015	4	109.7618	0.345	316	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5,5]C[5])	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5,5]C[5]){1|Ge<4>,1|N<3>,4|C<4>,5|H<1>}	H(C[6,6]C[3x6]2H)	109.7727	0.154	12	109.7727	0.024	12	109.7618	0.345	316	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){1|O<1>,5|C<4>,5|H<1>}	H(C[6,6]C[3x6]2H)	109.6872	0.068	5	109.7666	0.105	248	109.7618	0.345	316	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){2|Cl<1>,1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7873	0.056	9	109.7666	0.105	248	109.7618	0.345	316	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){2|Ru<5>,1|N<3>,4|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.7475	0.046	11	109.7666	0.105	248	109.7618	0.345	316	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){1|C<3>,1|N<3>,1|S<2>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.7791	0.121	46	109.7666	0.105	248	109.7618	0.345	316	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	H(C[6,6]C[3x6]2H)	109.9266	0.194	36	109.7666	0.105	248	109.7618	0.345	316	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){1|Co<2>,1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.5725	0.136	6	109.7666	0.105	248	109.7618	0.345	316	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){1|Co<3>,1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.7294	0.863	28	109.7666	0.105	248	109.7618	0.345	316	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){1|Co<4>,1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.6155	0.169	11	109.7666	0.105	248	109.7618	0.345	316	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){1|Cu<2>,1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.7199	0.116	26	109.7666	0.105	248	109.7618	0.345	316	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){1|Cu<3>,1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.7253	0.057	9	109.7666	0.105	248	109.7618	0.345	316	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){1|Ir<6>,1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.7947	0.223	10	109.7666	0.105	248	109.7618	0.345	316	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){1|Os<4>,1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.9377	0.117	6	109.7666	0.105	248	109.7618	0.345	316	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){1|Ru<4>,1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.7572	0.036	5	109.7666	0.105	248	109.7618	0.345	316	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){1|Se<1>,1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.7369	0.078	8	109.7666	0.105	248	109.7618	0.345	316	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){1|Se<2>,1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.7303	0.173	20	109.7666	0.105	248	109.7618	0.345	316	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){2|O<1>,3|H<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.7037	0.060	12	109.7666	0.105	248	109.7618	0.345	316	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]N[5])	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{1|C<2>,1|N<2>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]N[5]){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.1845	2.599	12	109.7207	1.951	43	109.7618	0.345	316	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]N[5])	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<2>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]N[5]){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	110.0865	0.181	19	109.7207	1.951	43	109.7618	0.345	316	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]N[5])	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<2>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]N[5]){1|Ir<6>,1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6776	0.306	12	109.7207	1.951	43	109.7618	0.345	316	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(N[5]S[5]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{2|C<4>,2|S<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]S[5]2){2|C<3>,3|C<4>,3|H<1>,4|O<1>}	H(C[6,6]C[3x6]2H)	109.8890	0.053	5	109.8890	0.003	5	109.7618	0.345	316	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]RuC)(C[6,6]C[3x6]HH)2(N[5]C[5]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{1|Ru<9>,1|C<3>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]RuC)(C[6,6]C[3x6]HH)2(N[5]C[5]2){1|N<3>,4|C<4>,5|H<1>}	H(C[6,6]C[3x6]2H)	109.9278	0.057	4	109.9278	0.003	4	109.7618	0.345	316	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[6])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(N[6]Ge[6]C[6])	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[6])(C[3x6]C[6,6]2H)(H)2{1|Ge<2>,1|C<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[6]Ge[6]C[6]){1|O<1>,2|N<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6294	0.119	5	109.6294	0.014	5	109.6294	0.014	5	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[6a])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(N[6a]C[6a]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[6a])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[6a]C[6a]2){1|C<3>,1|N<3>,2|O<1>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6990	0.015	3	109.6990	0.000	3	109.6990	0.000	3	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:P-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2	C[3x6](C[6,6]C[3x6]HH)3(PCH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(PCH){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7530	0.106	6	109.7530	0.011	6	109.6505	0.019	31	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:P-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2	C[3x6](C[6,6]C[3x6]HH)3(PC[3x6]C[6a])	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(PC[3x6]C[6a]){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.4930	0.086	10	109.4930	0.007	10	109.6505	0.019	31	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:P-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2	C[3x6](C[6,6]C[3x6]HH)3(PC[3x6]Pd)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(PC[3x6]Pd){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6669	0.049	9	109.6669	0.002	9	109.6505	0.019	31	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:P-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2	C[3x6](C[6,6]C[3x6]HH)3(PGaC)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(PGaC){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7858	0.041	6	109.7858	0.002	6	109.6505	0.019	31	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:P[5]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2P[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(P[5]C[5]2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2P[5])(C[3x6]C[6,6]2H)(H)2{4|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(P[5]C[5]2){4|Si<4>,3|H<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.4855	0.060	6	109.4855	0.004	6	109.5505	0.009	11	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:P[5]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2P[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(P[5]C[5]P[5])	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2P[5])(C[3x6]C[6,6]2H)(H)2{1|P<3>,3|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(P[5]C[5]P[5]){4|H<1>,7|C<4>}	H(C[6,6]C[3x6]2H)	109.6284	0.056	5	109.6284	0.003	5	109.5505	0.009	11	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:S-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2	C[3x6](C[6,6]C[3x6]HH)3(SC[6]O)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(SC[6]O){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.9181	0.244	18	109.9181	0.059	18	109.8523	0.026	71	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:S-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2	C[3x6](C[6,6]C[3x6]HH)3(SC[6a]Fe)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(SC[6a]Fe){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.8867	0.127	6	109.8867	0.016	6	109.8523	0.026	71	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:S-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2	C[3x6](C[6,6]C[3x6]HH)3(SCu2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(SCu2){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7840	0.101	10	109.7840	0.010	10	109.8523	0.026	71	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:S-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2	C[3x6](C[6,6]C[3x6]HH)3(SNO)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(SNO){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.8910	0.051	5	109.8910	0.003	5	109.8523	0.026	71	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:S-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2	C[3x6](C[6,6]C[3x6]HH)3(SNi2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(SNi2){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7492	0.125	6	109.7492	0.016	6	109.8523	0.026	71	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:S-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2	C[3x6](C[6,6]C[3x6]HH)3(SNiC)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(SNiC){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.8105	0.147	15	109.8105	0.022	15	109.8523	0.026	71	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:S-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2	C[3x6](C[6,6]C[3x6]HH)3(SPdC)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(SPdC){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.9016	0.069	5	109.9016	0.005	5	109.8523	0.026	71	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:S-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2	C[3x6](C[6,6]C[3x6]HH)3(SPtC)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(SPtC){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.8690	0.056	6	109.8690	0.003	6	109.8523	0.026	71	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N)(C[4x6]C[4x6]2H)(H)2	C[3x6](C[6,6]C[4x6]HH)3(NHS)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2N)(C[4x6]C[4x6]2H)(H)2{4|C<4>,6|H<1>}	C[3x6](C[6,6]C[4x6]HH)3(NHS){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.7515	0.094	10	109.7515	0.009	10	109.7515	0.009	10	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)3(CNO)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)3(CNO){1|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6364	0.179	15	109.6364	0.032	15	109.6358	0.035	66	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)3(COO)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)3(COO){1|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6300	0.222	35	109.6255	0.036	49	109.6358	0.035	66	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)3(COO)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{3|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)3(COO){1|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6142	0.063	14	109.6255	0.036	49	109.6358	0.035	66	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[6x6]HH)(H)2	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]HH)(COO)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[6x6]HH)(H)2{3|C<4>,4|H<1>}	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]HH)(COO){3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8845	0.008	2	109.8845	0.000	2	109.6358	0.035	66	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6a])(C[6,6]C[3x5,5x6]HH)(H)2	C[3x6](C[6,6]C[3x5,4x6]HH)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HH)(C[6a]C[6a]2)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C[6a])(C[6,6]C[3x5,5x6]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x5,4x6]HH)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HH)(C[6a]C[6a]2){3|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.2270	0.088	2	109.2270	0.008	2	110.0992	1.706	8	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6a])(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)3(C[6a]C[6a]2)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C[6a])(C[6,6]C[3x6]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)3(C[6a]C[6a]2){1|C<4>,2|C<3>,8|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.3900	1.408	6	110.3900	1.981	6	110.0992	1.706	8	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(NCH)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(NCH){1|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7296	0.053	15	109.7296	0.003	15	109.7209	0.055	36	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(NCH)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(NCH){1|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7147	0.308	21	109.7147	0.095	21	109.7209	0.055	36	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[4x6]C[4x6]C[5x6]H)(C[3x6]C[6,6]2C)(H)2	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6x6]HH)(CCO)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[4x6]C[5x6]H)(C[3x6]C[6,6]2C)(H)2{4|C<4>,6|H<1>}	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6x6]HH)(CCO){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	110.1018	1.466	8	110.1018	2.149	8	109.9333	1.433	12	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[4x6]C[4x6]C[5x6]H)(C[3x6]C[6,6]2C)(H)2	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6x6]HH)(CNO)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[4x6]C[5x6]H)(C[3x6]C[6,6]2C)(H)2{4|C<4>,6|H<1>}	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6x6]HH)(CNO){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	109.6970	0.008	2	109.6970	0.000	2	109.9333	1.433	12	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[4x6]C[6,6]C[6x6]H)(C[3x6]C[6,6]2C)(H)2	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]HH)(COO)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[6,6]C[6x6]H)(C[3x6]C[6,6]2C)(H)2{4|C<4>,6|H<1>}	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]HH)(COO){3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.4960	0.021	2	109.4960	0.000	2	109.9333	1.433	12	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[5,5,6,6]C[3x5,5x6]C[3x5,6,6]C[6a])(C[3x6]C[6,6]2C[6a])(H)2	C[3x6](C[6,6]C[3x5,4x6]HH)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HH)(C[6a]C[6a]2)	H(C[6,6]C[5,5,6,6]C[3x6]H)	C[6,6](C[5,5,6,6]C[3x5,5x6]C[3x5,6,6]C[6a])(C[3x6]C[6,6]2C[6a])(H)2{4|C<3>,5|C<4>,5|H<1>}	C[3x6](C[6,6]C[3x5,4x6]HH)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HH)(C[6a]C[6a]2){3|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[5,5,6,6]C[3x6]H)	109.2975	0.039	2	109.2975	0.002	2	109.2975	0.002	2	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[3x6]-4:Cl-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2C)(Cl)(H)	C[3x6](C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]ClH)(C[6,6]C[6,6]HO)(COO)	H(C[6,6]C[3x6]C[6,6]Cl)	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2C)(Cl)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[3x6](C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]ClH)(C[6,6]C[6,6]HO)(COO){1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]Cl)	108.3900	0.000	1	108.3900	0.000	1	108.3900	0.000	1	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[6x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6x6]C[5x6]2C[6,6])(C[3x6]C[6,6]2C)(H)2	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6x6]HH)(CCO)	H(C[6,6]C[3x6]C[6x6]H)	C[6,6](C[6x6]C[5x6]2C[6,6])(C[3x6]C[6,6]2C)(H)2{5|C<4>,8|H<1>}	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6x6]HH)(CCO){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6x6]H)	110.1650	1.586	4	110.1650	2.514	4	109.9023	1.674	6	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[6x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6x6]C[5x6]2C[6,6])(C[3x6]C[6,6]2C)(H)2	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6x6]HH)(CNO)	H(C[6,6]C[3x6]C[6x6]H)	C[6,6](C[6x6]C[5x6]2C[6,6])(C[3x6]C[6,6]2C)(H)2{5|C<4>,8|H<1>}	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6x6]HH)(CNO){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6x6]H)	109.3770	0.006	2	109.3770	0.000	2	109.9023	1.674	6	109.5607	0.516	2568	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	B[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](B[3x6]C[6,6]2N)(C[3x6]C[6,6]2C)(H)2	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(CH3)	H(C[6,6]B[3x6]C[3x6]H)	C[6,6](B[3x6]C[6,6]2N)(C[3x6]C[6,6]2C)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(CH3){1|N<4>,2|H<1>,3|C<4>}	H(C[6,6]B[3x6]C[3x6]H)	110.0872	0.036	4	110.0872	0.001	4	110.0872	0.001	4	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3,5,6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3,5,6]C[6,6]2)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[3,5,6]B[3,3,6]P[3x3,5]C[5,6])(C[6,6]C[3x6]HH)3	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3,5,6]C[6,6]2)(C[3x6]C[6,6]2H)(H)2{1|B<4>,1|C<3>,1|P<4>,2|C<4>,8|H<1>}	C[3x6](C[3,5,6]B[3,3,6]P[3x3,5]C[5,6])(C[6,6]C[3x6]HH)3{3|C<3>,3|H<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.4062	0.089	4	109.4062	0.008	4	109.4062	0.008	4	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[4])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[4]Si[4]C[4]Si)(C[6,6]C[3x6]HH)3	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[4])(C[3x6]C[6,6]2H)(H)2{2|Si<4>,1|C<3>,2|C<4>,8|H<1>}	C[3x6](C[4]Si[4]C[4]Si)(C[6,6]C[3x6]HH)3{1|Si<4>,1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.1077	0.243	6	109.1077	0.059	6	109.1077	0.059	6	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[3x6]C[4x6]C[6]C)(H)2	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[3x6]C[4x6]C[6]C)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(C[6,6]C[3x6]2H)	111.9700	0.069	2	111.9700	0.005	2	110.6146	1.535	5	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]C)(H)2	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]O[6]CH)(CCHH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]C)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]O[6]CH)(CCHH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.7110	0.073	3	109.7110	0.005	3	110.6146	1.535	5	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5,5]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,5]C[6,6]2)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[5,5]C[5,5]C[5]O[5])(C[6,6]C[3x6]HH)3	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,5]C[6,6]2)(C[3x6]C[6,6]2H)(H)2{1|O<2>,4|C<4>,8|H<1>}	C[3x6](C[5,5]C[5,5]C[5]O[5])(C[6,6]C[3x6]HH)3{1|C<3>,2|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	109.5672	0.069	5	109.5793	0.004	19	109.5793	0.004	19	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5,5]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,5]C[6,6]2)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[5,5]C[5,5]C[5]O[5])(C[6,6]C[3x6]HH)3	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,5]C[6,6]2)(C[3x6]C[6,6]2H)(H)2{1|O<2>,4|C<4>,8|H<1>}	C[3x6](C[5,5]C[5,5]C[5]O[5])(C[6,6]C[3x6]HH)3{2|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	109.5894	0.073	8	109.5793	0.004	19	109.5793	0.004	19	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5,5]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,5]C[6,6]2)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[5,5]C[5,5]C[5]O[5])(C[6,6]C[3x6]HH)3	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,5]C[6,6]2)(C[3x6]C[6,6]2H)(H)2{1|O<2>,4|C<4>,8|H<1>}	C[3x6](C[5,5]C[5,5]C[5]O[5])(C[6,6]C[3x6]HH)3{3|O<2>,5|C<4>,5|H<1>}	H(C[6,6]C[3x6]2H)	109.5758	0.047	6	109.5793	0.004	19	109.5793	0.004	19	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5,6]-4:C[4x6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[5,6]C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[5,6]C[5]C[6]O[5])(C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[5,6]C)(C[3x6]C[6,6]2H)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[3x6](C[5,6]C[5]C[6]O[5])(C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(CH3){1|O<1>,3|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[3x6]2H)	109.3990	0.000	1	109.3990	0.000	1	109.3990	0.000	1	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2C)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CCHH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2C)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CCHH){1|Br<1>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	110.6275	0.260	2	110.6275	0.067	2	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2C)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CHHS)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2C)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CHHS){1|Br<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.9903	0.071	4	109.9903	0.005	4	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{1|B<4>,1|C<4>,8|H<1>}	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(CH3){1|N<4>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.1797	0.034	6	109.1797	0.001	6	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CCCH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CCCH){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.5520	0.120	14	109.5520	0.014	14	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CCCO)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CCCO){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.4360	0.111	9	109.4360	0.012	9	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CCHH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CCHH){1|Br<1>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.5965	1.045	4	109.5049	0.129	163	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CCHH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CCHH){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.5832	0.029	4	109.5049	0.129	163	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CCHH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CCHH){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.5401	0.197	49	109.5049	0.129	163	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CCHH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CCHH){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.4822	0.386	106	109.5049	0.129	163	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CCHN)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CCHN){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.4390	0.574	68	109.4390	0.330	68	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CC[3x6]C[5a]O)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CC[3x6]C[5a]O){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.9234	2.349	24	109.9234	5.520	24	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CC[3x6]C[6a]H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CC[3x6]C[6a]H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	108.3475	3.443	24	108.3475	11.855	24	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CC[3x6]C[6a]O)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CC[3x6]C[6a]O){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.4381	3.561	12	109.4381	12.679	12	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CC[6a]2O)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CC[6a]2O){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.4120	0.070	6	109.4120	0.005	6	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CC[6a]HH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CC[6a]HH){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.4828	0.111	11	109.4828	0.012	11	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CC[6a]HO)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CC[6a]HO){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.5010	0.114	9	109.5010	0.013	9	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CCaNN)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CCaNN){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.4280	0.095	12	109.4280	0.009	12	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CH3){1|C<3>,1|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.5448	0.059	6	109.4986	0.948	91	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CH3){1|H<1>,1|N<3>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.5342	1.163	63	109.4986	0.948	91	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CH3){1|H<1>,1|N<4>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.5725	0.096	11	109.4986	0.948	91	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CH3){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.1959	0.147	11	109.4986	0.948	91	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CHHN)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CHHN){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.5633	0.152	43	109.5633	0.023	43	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CHHO)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CHHO){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.5733	0.098	18	109.5733	0.010	18	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CHHP)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{1|H<2>,2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CHHP){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.4360	0.155	4	109.4784	0.021	52	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CHHP)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CHHP){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.4819	0.144	48	109.4784	0.021	52	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CHHS)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CHHS){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.6058	0.043	4	109.6058	0.002	4	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CHfNO)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CHfNO){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6951	0.074	11	109.6951	0.005	11	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CMgNN)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CMgNN){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.3907	0.053	6	109.3907	0.003	6	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CN[5]HH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CN[5]HH){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.6881	0.060	7	109.6578	0.004	13	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CN[5]HH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CN[5]HH){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6223	0.055	6	109.6578	0.004	13	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CN[5a]HH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CN[5a]HH){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.5906	0.056	9	109.5906	0.003	9	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CRuOO)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CRuOO){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7550	0.047	6	109.7550	0.002	6	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CSiHO)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CSiHO){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.4968	0.023	4	109.4968	0.001	4	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CSi[6]HO)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CSi[6]HO){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.5238	0.042	4	109.5238	0.002	4	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CSrNN)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CSrNN){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.3044	0.060	5	109.3044	0.004	5	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CH3){1|H<1>,1|N<3>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.8269	0.938	60	109.7950	0.646	82	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CH3){1|H<1>,1|N<4>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.6651	0.105	11	109.7950	0.646	82	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CH3){2|N<4>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.7511	0.067	11	109.7950	0.646	82	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2O)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CCHH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CCHH){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.5355	0.005	2	109.5355	0.000	2	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)2(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]N[3x6]HH)2(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)2(H)2{2|N<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]N[3x6]HH)2(CH3){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.5243	0.068	9	109.5243	0.005	9	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)2(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)2(H)2{1|C<3>,1|C<4>,1|N<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(CH3){1|C<3>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.4903	0.014	3	109.3915	0.006	15	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)2(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)2(H)2{1|C<4>,1|N<4>,2|O<2>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(CH3){1|H<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.3075	0.024	4	109.3915	0.006	15	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)2(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)2(H)2{1|C<4>,1|N<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(CH3){1|C<3>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.3607	0.037	4	109.3915	0.006	15	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)2(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)2(H)2{1|C<4>,1|N<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(CH3){1|H<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.4320	0.037	4	109.3915	0.006	15	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)2(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]OO)(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)2(H)2{1|C<4>,1|N<4>,2|O<2>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]OO)(CH3){1|H<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.3037	0.034	3	109.3037	0.001	3	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(CCHH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CCHH){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.2244	0.224	28	109.2244	0.050	28	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)2(H)2{1|C<3>,2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CH3){1|C<3>,1|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.3775	0.063	6	109.3083	0.895	114	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CH3){1|C<2>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.3310	0.144	22	109.3083	0.895	114	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CH3){1|C<3>,1|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.2698	0.088	8	109.3083	0.895	114	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CH3){1|H<1>,1|N<3>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.3197	1.330	57	109.3083	0.895	114	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CH3){1|H<1>,1|N<4>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.3311	0.049	9	109.3083	0.895	114	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CH3){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	108.8708	0.183	6	109.3083	0.895	114	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CH3){2|N<4>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.5012	0.059	6	109.3083	0.895	114	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(CHHS)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CHHS){1|Br<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.4436	0.041	7	109.3617	0.014	11	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(CHHS)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CHHS){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.2185	0.010	4	109.3617	0.014	11	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(CN[5]HH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CN[5]HH){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.3507	0.030	3	109.3507	0.001	3	109.4757	0.984	897	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[3x6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]2)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(C[3x6]C[6,6]3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]C[6,6]2)(C[3x6]C[6,6]2H)(H)2{5|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[3x6]C[6,6]3){1|O<2>,6|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	110.0053	0.689	12	110.0053	0.475	12	110.2809	0.583	18	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[3x6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]2)(C[3x6]C[6,6]2O)(H)2	C[3x6](C[6,6]C[3x6]HH)3(C[3x6]C[6,6]3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]C[6,6]2)(C[3x6]C[6,6]2O)(H)2{5|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[3x6]C[6,6]3){1|O<2>,6|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	110.8320	0.624	6	110.8320	0.390	6	110.2809	0.583	18	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(C[5]C[5]2O)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[5]C[5]2O){1|O<1>,2|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.5572	0.044	6	109.5572	0.002	6	109.3737	0.043	12	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(C[5]C[5]O[5]H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2{1|O<2>,3|C<4>,9|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[5]C[5]O[5]H){1|N<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	109.1902	0.114	6	109.1902	0.013	6	109.3737	0.043	12	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]N[6]H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2{1|N<2>,3|C<4>,9|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]N[6]H){1|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[3x6]2H)	109.5365	0.130	6	109.5634	0.016	28	109.5468	0.017	32	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]N[6]H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2{1|N<3>,3|C<4>,9|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]N[6]H){1|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	109.5477	0.199	6	109.5634	0.016	28	109.5468	0.017	32	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]N[6]H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2{1|N<3>,3|C<4>,9|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]N[6]H){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	109.5794	0.100	16	109.5634	0.016	28	109.5468	0.017	32	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]O[6]C)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2{1|O<2>,4|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]O[6]C){2|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[3x6]2H)	109.4310	0.109	4	109.4310	0.012	4	109.5468	0.017	32	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:Ge-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2Ge)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(GeO3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2Ge)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(GeO3){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6475	0.214	6	109.6475	0.046	6	109.6475	0.046	6	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NBHH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NBHH){1|H<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.5510	0.118	3	109.5510	0.014	3	109.8310	0.089	267	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NC3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NC3){1|N<4>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.7335	0.046	12	109.7335	0.002	12	109.8310	0.089	267	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NH3){1|H<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.7171	0.063	7	109.7171	0.004	7	109.8310	0.089	267	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NBHH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NBHH){1|H<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	110.1120	0.014	2	110.1120	0.000	2	109.8310	0.089	267	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NB[3x6]HH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NB[3x6]HH){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7615	0.117	11	109.7615	0.014	11	109.8310	0.089	267	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NC3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NC3){1|N<4>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.8114	0.151	8	109.8114	0.023	8	109.8310	0.089	267	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NCHH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NCHH){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.9264	0.135	58	109.9264	0.018	58	109.8310	0.089	267	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NCoCH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NCoCH){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.5682	0.071	4	109.5682	0.005	4	109.8310	0.089	267	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NFeCH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NFeCH){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.5880	0.082	4	109.5880	0.007	4	109.8310	0.089	267	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NH3){1|H<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.9927	0.027	3	109.8266	0.150	132	109.8310	0.089	267	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NH3){1|N<4>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.8925	0.034	6	109.8266	0.150	132	109.8310	0.089	267	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NH3){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.8193	0.400	123	109.8266	0.150	132	109.8310	0.089	267	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NNiCH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NNiCH){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.8245	0.082	6	109.8245	0.007	6	109.8310	0.089	267	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NNiHH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NNiHH){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6383	0.133	6	109.6383	0.018	6	109.8310	0.089	267	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(NC3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NC3){1|N<4>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	109.8170	0.060	4	109.8517	0.005	10	109.8310	0.089	267	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(NC3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NC3){1|N<4>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.8748	0.072	6	109.8517	0.005	10	109.8310	0.089	267	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N)2(H)2	C[3x6](C[6,6]C[3x6]HH)3(NH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N)2(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NH3){1|N<4>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	110.1372	0.029	4	110.1372	0.001	4	109.8310	0.089	267	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:P-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2	C[3x6](C[6,6]C[3x6]HH)3(PBHH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(PBHH){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7763	0.058	3	109.7763	0.003	3	109.6294	0.037	403	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:P-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2	C[3x6](C[6,6]C[3x6]HH)3(PC[3x6]2Au)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(PC[3x6]2Au){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.4908	0.138	15	109.4908	0.019	15	109.6294	0.037	403	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:P-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2	C[3x6](C[6,6]C[3x6]HH)3(PC[3x6]AgC)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(PC[3x6]AgC){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6231	0.071	11	109.6231	0.005	11	109.6294	0.037	403	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:P-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2	C[3x6](C[6,6]C[3x6]HH)3(PC[3x6]C[6a]Au)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(PC[3x6]C[6a]Au){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6276	0.192	131	109.6276	0.037	131	109.6294	0.037	403	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:P-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2	C[3x6](C[6,6]C[3x6]HH)3(PC[3x6]C[6a]Pd)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(PC[3x6]C[6a]Pd){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.5430	0.120	9	109.5430	0.014	9	109.6294	0.037	403	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:P-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2	C[3x6](C[6,6]C[3x6]HH)3(PC[3x6]ClPd)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(PC[3x6]ClPd){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6697	0.118	10	109.6697	0.014	10	109.6294	0.037	403	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:P-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2	C[3x6](C[6,6]C[3x6]HH)3(PC[3x6]CoN)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(PC[3x6]CoN){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6003	0.109	10	109.6003	0.012	10	109.6294	0.037	403	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:P-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2	C[3x6](C[6,6]C[3x6]HH)3(PC[3x6]FeC)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(PC[3x6]FeC){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.5684	0.100	11	109.5684	0.010	11	109.6294	0.037	403	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:P-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2	C[3x6](C[6,6]C[3x6]HH)3(PC[3x6]HH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(PC[3x6]HH){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.8949	0.062	14	109.8949	0.004	14	109.6294	0.037	403	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:P-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2	C[3x6](C[6,6]C[3x6]HH)3(PC[3x6]MnC)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(PC[3x6]MnC){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6153	0.146	30	109.6153	0.021	30	109.6294	0.037	403	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:P-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2	C[3x6](C[6,6]C[3x6]HH)3(PC[3x6]OsN)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(PC[3x6]OsN){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.5110	0.083	10	109.5110	0.007	10	109.6294	0.037	403	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:P-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2	C[3x6](C[6,6]C[3x6]HH)3(PC[3x6]PdC)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(PC[3x6]PdC){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.5287	0.066	10	109.5287	0.004	10	109.6294	0.037	403	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:P-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2	C[3x6](C[6,6]C[3x6]HH)3(PC[3x6]PtC)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(PC[3x6]PtC){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.5373	0.213	55	109.5373	0.045	55	109.6294	0.037	403	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:P-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2	C[3x6](C[6,6]C[3x6]HH)3(PC[3x6]RuC)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(PC[3x6]RuC){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.6294	0.142	17	109.6294	0.020	17	109.6294	0.037	403	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:P-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2	C[3x6](C[6,6]C[3x6]HH)3(PO3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(PO3){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7319	0.129	15	109.7319	0.017	15	109.6294	0.037	403	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:P-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2	C[3x6](C[6,6]C[3x6]HH)3(PPdCC)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(PPdCC){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7103	0.250	35	109.7103	0.062	35	109.6294	0.037	403	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:P-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2	C[3x6](C[6,6]C[3x6]HH)3(PPdCH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(PPdCH){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.7318	0.060	6	109.7318	0.004	6	109.6294	0.037	403	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:P-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2	C[3x6](C[6,6]C[3x6]HH)3(PPdCO)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(PPdCO){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.8188	0.040	5	109.8188	0.002	5	109.6294	0.037	403	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:P-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2	C[3x6](C[6,6]C[3x6]HH)3(PRuHH)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(PRuHH){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.8480	0.228	6	109.8480	0.052	6	109.6294	0.037	403	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:S-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2	C[3x6](C[6,6]C[3x6]HH)3(SAgCu2)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(SAgCu2){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	108.6857	0.645	6	108.6857	0.415	6	109.3914	0.565	14	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:S-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2	C[3x6](C[6,6]C[3x6]HH)3(SNOO)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(SNOO){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.9207	0.072	8	109.9207	0.005	8	109.3914	0.565	14	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	N[3,6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]N[3,6,6]C[6,6]C)2(H)2	C[3x6](N[3,6,6]C[3x6]O[3]2)(C[6,6]C[3x6]HH)2(CH3)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]N[3,6,6]C[6,6]C)2(H)2{2|C<4>,4|H<1>,4|O<2>}	C[3x6](N[3,6,6]C[3x6]O[3]2)(C[6,6]C[3x6]HH)2(CH3){1|N<4>,5|C<4>}	H(C[6,6]C[3x6]2H)	109.9532	3.248	8	109.9532	10.550	8	109.9532	10.550	8	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	N[3x4,3x6a]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]N[3x4,3x6a]C[6,6]2)(C[3x6]C[6,6]2H)(H)2	C[3x6](N[3x4,3x6a]Ge[3x4,3x6a]3)(C[6,6]C[3x6]HH)3	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]N[3x4,3x6a]C[6,6]2)(C[3x6]C[6,6]2H)(H)2{3|Ge<3>,2|C<4>,8|H<1>}	C[3x6](N[3x4,3x6a]Ge[3x4,3x6a]3)(C[6,6]C[3x6]HH)3{3|C<4>,3|H<1>,3|N<4>}	H(C[6,6]C[3x6]2H)	109.6441	0.102	8	109.6441	0.010	8	109.6441	0.010	8	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	P[5]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2P[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](P[5]C[5,6a]C[3x6]C[5,5])(C[6,6]C[3x6]HH)3	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2P[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,4|C<4>,8|H<1>}	C[3x6](P[5]C[5,6a]C[3x6]C[5,5])(C[6,6]C[3x6]HH)3{2|C<3>,2|N<3>,4|H<1>,6|C<4>}	H(C[6,6]C[3x6]2H)	109.8269	0.044	9	109.8269	0.002	9	109.8329	0.005	17	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	P[5]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2P[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](P[5]C[5,6a]C[3x6]C[5])(C[6,6]C[3x6]HH)3	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2P[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,4|C<4>,8|H<1>}	C[3x6](P[5]C[5,6a]C[3x6]C[5])(C[6,6]C[3x6]HH)3{1|N<3>,1|O<2>,2|C<3>,4|H<1>,6|C<4>}	H(C[6,6]C[3x6]2H)	109.8397	0.097	8	109.8397	0.009	8	109.8329	0.005	17	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8023	0.037	3	109.8023	0.001	3	109.8023	0.001	3	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,5,6,6]C[6,6]C)(C[6,6]C[6,6]O[6]H)(H)2	C[3x6](C[5,5,6,6]C[5,5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]HH)(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,5,6,6]C[6,6]C)(C[6,6]C[6,6]O[6]H)(H)2{3|C<4>,4|C<3>}	C[3x6](C[5,5,6,6]C[5,5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]HH)(CH3){1|O<1>,2|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5740	0.000	1	109.5740	0.000	1	109.5740	0.000	1	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]B[6,6]N[6,6]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|B<3>,1|N<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]B[6,6]N[6,6]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6240	0.010	2	109.6240	0.000	2	109.5252	0.030	52	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)2(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,2|C<2>,3|H<1>}	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)2(CH3){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.3944	0.108	8	109.3944	0.012	8	109.5252	0.030	52	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4790	0.014	2	109.4790	0.000	2	109.5252	0.030	52	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)3(CC[5]HH)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)3(CC[5]HH){1|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.2206	0.133	5	109.2206	0.018	5	109.5252	0.030	52	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)3(CF3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)3(CF3){1|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6121	0.078	11	109.6121	0.006	11	109.5252	0.030	52	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]N[6,6]B[5a]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|B<3>,1|N<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]N[6,6]B[5a]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(CH3){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5900	0.041	3	109.5900	0.002	3	109.5252	0.030	52	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]HH)(H)2	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(CH3){1|Si<4>,1|C<4>,1|O<1>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4660	0.031	4	109.4660	0.001	4	109.5252	0.030	52	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]HH)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)2(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)2(CH3){1|C<3>,1|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6994	0.112	12	109.6994	0.012	12	109.5252	0.030	52	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]N[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)3(CCHH)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]N[3x6]HH)(H)2{1|B<5>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4176	0.071	5	109.4176	0.005	5	109.5252	0.030	52	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)3(C[6]C[6]2Cr)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(H)2{1|Cr<9>,1|C<3>,4|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)3(C[6]C[6]2Cr){3|C<4>,8|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7067	0.673	6	109.7067	0.453	6	109.7067	0.453	6	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]2P)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(C[6]B[6]HH)(C[6]C[6]CH)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]2P)(H)2{1|B<4>,2|C<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(C[6]B[6]HH)(C[6]C[6]CH){1|P<4>,3|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.1100	0.052	2	109.1100	0.003	2	109.6178	0.077	16	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]O[6]C)(H)2	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]O[6]C)(H)2{1|C<3>,3|C<4>,7|H<1>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)2{1|O<1>,1|O<2>,4|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.4520	0.027	4	109.4520	0.001	4	109.6178	0.077	16	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]O[6]H)(H)2	C[3x6](C[6,6]C[6]O[6]C)(C[6,6]C[6,6]HH)(C[6]C[6]CC)(C[6]C[6]HH)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]O[6]H)(H)2{1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[3x6](C[6,6]C[6]O[6]C)(C[6,6]C[6,6]HH)(C[6]C[6]CC)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7857	0.162	10	109.7857	0.026	10	109.6178	0.077	16	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2C)(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(CH3)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2C)(H)2{1|C<3>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(CH3){1|C<3>,5|C<4>}	H(C[6,6]C[3x6]N[3x6]H)	109.6335	0.306	4	109.6335	0.094	4	109.8992	0.047	29	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]N[3x6]HH)2(CH3)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2{1|C<4>,1|N<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]N[3x6]HH)2(CH3){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]N[3x6]H)	109.9776	0.178	19	109.9776	0.032	19	109.8992	0.047	29	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(CH3)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2{2|C<4>,2|O<2>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(CH3){1|H<1>,5|C<4>}	H(C[6,6]C[3x6]N[3x6]H)	109.7720	0.040	4	109.7720	0.002	4	109.8992	0.047	29	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]N[3x6]HH)3(CH3)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2{2|C<3>,2|N<3>,6|H<1>}	C[3x6](C[6,6]N[3x6]HH)3(CH3){1|H<1>,3|C<4>}	H(C[6,6]C[3x6]N[3x6]H)	109.9405	0.028	2	109.9405	0.001	2	109.8992	0.047	29	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:P-4:	C[6,6]-4:	C[6,6](C[4x6]C[4x6]C[5x6]H)(C[3x6]C[6,6]2P)(H)2	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6x6]HH)(PCl2O)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[4x6]C[5x6]H)(C[3x6]C[6,6]2P)(H)2{4|C<4>,6|H<1>}	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6x6]HH)(PCl2O){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	109.3677	0.556	3	109.3677	0.309	3	109.3677	0.309	3	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:P-4:	C[6,6]-4:	C[6,6](C[6x6]C[5x6]2C[6,6])(C[3x6]C[6,6]2P)(H)2	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6x6]HH)(PCl2O)	H(C[6,6]C[3x6]C[6x6]H)	C[6,6](C[6x6]C[5x6]2C[6,6])(C[3x6]C[6,6]2P)(H)2{5|C<4>,8|H<1>}	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6x6]HH)(PCl2O){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6x6]H)	108.6430	0.899	2	108.6430	0.809	2	109.3590	0.662	5	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:P-4:	C[6,6]-4:	C[6,6](C[6x6]C[6,6]C[6x6]2)(C[3x6]C[6,6]2P)(H)2	C[3x6](C[6,6]C[6x6]HH)3(PCl2O)	H(C[6,6]C[3x6]C[6x6]H)	C[6,6](C[6x6]C[6,6]C[6x6]2)(C[3x6]C[6,6]2P)(H)2{5|C<4>,8|H<1>}	C[3x6](C[6,6]C[6x6]HH)3(PCl2O){6|C<4>}	H(C[6,6]C[3x6]C[6x6]H)	109.8363	0.257	3	109.8363	0.066	3	109.3590	0.662	5	109.5899	0.588	1836	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	5:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-5:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	C[3x6](C[6,6]C[3x6]IrLiH)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Ir<4>,1|Li<3>,1|H<2>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]IrLiH)(C[6,6]C[3x6]HH)2(H){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.8185	0.410	4	109.8185	0.168	4	109.8185	0.168	4	109.8185	0.168	4	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:1:1:	5:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-5:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]IrLiH)(C[6,6]C[3x6]HH)2(CHHP)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{1|Ir<4>,1|Li<3>,1|H<2>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]IrLiH)(C[6,6]C[3x6]HH)2(CHHP){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.5990	0.000	1	109.5990	0.000	1	109.5990	0.000	1	109.5990	0.000	1	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	3:3:4:1:	4:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CN)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CN)(H){1|P<2>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]C)	108.0970	0.837	2	108.0970	0.701	2	108.0970	0.701	2	108.2900	0.462	3	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	3:3:4:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(OH)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HO)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(OH)(H){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HO)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]O)	108.6760	0.000	1	108.6760	0.000	1	108.6760	0.000	1	108.2900	0.462	3	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	3:3:4:2:	4:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:P-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2P)(C[6,6]C[3x6]CH)(CN)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(PP)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6,6a]2P)(C[6,6]C[3x6]CH)(CN)(H){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(PP){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]C)	109.0680	0.682	2	109.0680	0.465	2	109.0680	0.465	2	109.0680	0.465	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	3:4:2:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-3:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(OH)(H)	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(OH)(H){1|C<3>,6|C<4>}	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(H){2|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]2O)	107.6050	0.000	1	107.6050	0.000	1	107.6050	0.000	1	107.6050	0.000	1	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	3:4:2:4:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-3:C[6,6]-4:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HO)(OH)(H)	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]HO)(O[6,6]N[6,6])(CHHO)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HO)(OH)(H){1|N<3>,1|O<1>,2|C<4>}	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]HO)(O[6,6]N[6,6])(CHHO){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(C[6,6]C[3x6]C[6,6]O)	107.4540	0.000	1	107.4540	0.000	1	107.4540	0.000	1	107.4540	0.000	1	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	3:4:3:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(OC)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6,6]O[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(OC)(H){1|C<4>,1|O<2>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6,6]O[6,6]C)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	110.0760	0.000	1	110.0760	0.000	1	110.0760	0.000	1	110.0760	0.000	1	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	3:4:3:3:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:N[6,6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6a]N[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(N[6,6]C[6]2)(C[6]C[6]H)	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6a]N[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(N[6,6]C[6]2)(C[6]C[6]H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	H(C[6,6]C[3x6]C[6]O[6])	109.5380	0.000	1	109.5380	0.000	1	109.5380	0.000	1	109.5380	0.000	1	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	3:4:4:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(OH)(H)	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]2H)2(OH)(H){1|C<3>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(H){3|H<1>,5|C<4>}	H(C[6,6]C[3x6]2O)	108.5565	0.056	2	108.5565	0.003	2	108.5565	0.003	2	108.9846	0.272	7	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HO)(OH)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]HO)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HO)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]HO)(H){1|C<2>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[3x6]C[6,6]O)	109.1120	1.006	2	109.1120	1.011	2	109.1120	1.011	2	108.9846	0.272	7	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(OH)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	109.3100	0.083	2	109.3100	0.007	2	109.3100	0.007	2	108.9846	0.272	7	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	3:4:4:1:	4:	C[4x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[3x6]C[3x6]C[6,6]H)(OH)(H)	C[3x6](C[3x6]C[4x6]C[6])(C[6,6]C[4x6]HO)(C[6,6]O[6,6]CH)(H)	H(C[6,6]C[3x6]C[4x6]O)	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[3x6]C[3x6]C[6,6]H)(OH)(H){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[3x6](C[3x6]C[4x6]C[6])(C[6,6]C[4x6]HO)(C[6,6]O[6,6]CH)(H){1|H<1>,2|C<3>,4|C<4>}	H(C[6,6]C[3x6]C[4x6]O)	108.9350	0.000	1	108.9350	0.000	1	108.9350	0.000	1	108.9846	0.272	7	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:O[6,6]-2:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]O[6,6]H)(OH)(H)	C[3x6](C[6,6]C[5,6,6]HO)(O[6,6]C[5,5,6,6])(C[6,6]C[6,6]CH)(H)	H(C[6,6]C[5,6,6]C[3x6]O)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]O[6,6]H)(OH)(H){2|H<1>,2|O<2>,4|C<4>}	C[3x6](C[6,6]C[5,6,6]HO)(O[6,6]C[5,5,6,6])(C[6,6]C[6,6]CH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[3x6]O)	109.6700	0.618	2	109.6700	0.382	2	109.6700	0.382	2	109.6700	0.382	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:2:4:4:	4:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:O[6,6]-2:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]O[6,6]C)(OH)(H)	C[3x6](C[6,6]C[5,6,6]HO)(O[6,6]C[5,5,6,6])(C[6,6]C[6,6]CH)(CH3)	H(C[6,6]C[5,6,6]C[3x6]O)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]O[6,6]C)(OH)(H){1|O<2>,1|S<2>,2|H<1>,4|C<4>}	C[3x6](C[6,6]C[5,6,6]HO)(O[6,6]C[5,5,6,6])(C[6,6]C[6,6]CH)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[3x6]O)	104.1880	0.000	1	104.1880	0.000	1	104.1880	0.000	1	104.1880	0.000	1	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:3:2:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(OC)(H)	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]O)(O[6,6]C[6,6])(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]O)(O[6,6]C[6,6])(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	110.9430	0.000	1	110.9430	0.000	1	110.6015	0.233	2	110.6015	0.233	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:3:2:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]HH)(OO)(H)	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[3x6]H)(O[6,6]O[6,6])(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]HH)(OO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[3x6]H)(O[6,6]O[6,6])(H){2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	110.2600	0.000	1	110.2600	0.000	1	110.6015	0.233	2	110.6015	0.233	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:3:3:1:	4:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]CH)(CN)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]CH)(CN)(H){1|N<3>,2|C<3>,2|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H){1|B<4>,1|C<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	109.8460	0.000	1	109.8460	0.000	1	109.8460	0.000	1	109.1815	0.883	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:3:3:1:	4:	C[3x6]-4:C[6,6]-4:S-2:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(SC[6a])(H)	C[3x6](C[6,6]C[6,6]HS)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	H(C[6,6]C[3x6]C[6,6]S)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(SC[6a])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[3x6](C[6,6]C[6,6]HS)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|Br<1>,1|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[3x6]C[6,6]S)	108.5170	0.000	1	108.5170	0.000	1	108.5170	0.000	1	109.1815	0.883	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:3:3:3:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(OC)(H)	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)2(CC[6a]O)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(OC)(H){2|H<1>,2|O<1>,4|C<4>}	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)2(CC[6a]O){1|C<3>,1|H<1>,4|C<4>}	H(C[6,6]C[3x6]2O)	109.8570	0.000	1	109.8570	0.000	1	109.8570	0.000	1	109.5430	0.290	5	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:3:3:3:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(OC[5])(H)	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(COO)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(OC[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(COO){1|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	110.3180	0.000	1	110.3180	0.000	1	110.3180	0.000	1	109.5430	0.290	5	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:3:3:3:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(OC)(H)	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(NCH)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(NCH){1|C<3>,1|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	109.0950	0.147	2	109.0950	0.022	2	109.1800	0.032	3	109.5430	0.290	5	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:3:3:3:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(OC[6])(H)	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(NCH)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(OC[6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(NCH){1|C<3>,1|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	109.3500	0.000	1	109.3500	0.000	1	109.1800	0.032	3	109.5430	0.290	5	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:3:3:4:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(OC)(H)	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)2(CCHH)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(OC)(H){2|H<1>,2|O<1>,4|C<4>}	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)2(CCHH){1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[3x6]2O)	109.7060	0.000	1	109.7060	0.000	1	109.7060	0.000	1	109.6665	0.003	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:3:3:4:	4:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:C[6,6]-3:N[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(CN)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(CN)(H){1|C<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	109.6270	0.000	1	109.6270	0.000	1	109.6270	0.000	1	109.6665	0.003	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:3:4:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2H)(OC)(H)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]HO)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2H)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]HO)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2O)	109.6125	0.155	2	109.6125	0.024	2	109.6125	0.024	2	109.6125	0.024	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:3:4:2:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(O[6]C[6])(H)	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]CC)(O[6]O[6])	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<2>,1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]CC)(O[6]O[6]){3|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[6]O[6])	108.4150	0.000	2	108.4150	0.000	2	108.4150	0.000	2	108.4150	0.000	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3,3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,3x6]O[6,6]H)(C[3x6]C[6,6]N[6,6]H)(OH)(H)	C[3x6](C[3,3x6]C[3,6,6]C[4x6]C[3])(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[3,3x6]O[6,6]H)(C[3x6]C[6,6]N[6,6]H)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[3x6](C[3,3x6]C[3,6,6]C[4x6]C[3])(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|Br<1>,1|C<3>,1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2O)	109.0690	0.000	1	109.0690	0.000	1	109.0690	0.000	1	109.5193	0.961	292	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[6,6]N[6,6]H)(OH)(H)	C[3x6](C[3x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[6,6]N[6,6]H)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[3x6](C[3x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2O)	108.6170	0.430	2	108.6170	0.185	2	110.1569	0.633	16	109.5193	0.961	292	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OC)(H)	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<3>,1|C<4>,1|S<3>,2|H<1>,2|O<2>}	H(C[6,6]C[3x6]2O)	110.3615	0.042	2	110.5532	0.304	10	110.1569	0.633	16	109.5193	0.961	292	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OC)(H)	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[3x6]2O)	110.6510	0.047	2	110.5532	0.304	10	110.1569	0.633	16	109.5193	0.961	292	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OC)(H)	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<4>,1|S<3>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]2O)	109.9910	0.008	2	110.5532	0.304	10	110.1569	0.633	16	109.5193	0.961	292	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OC)(H)	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6,6]C[3x6]2O)	110.8812	0.725	4	110.5532	0.304	10	110.1569	0.633	16	109.5193	0.961	292	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OH)(H)	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>,2|O<2>}	H(C[6,6]C[3x6]2O)	110.0680	0.013	2	110.0680	0.000	2	110.1569	0.633	16	109.5193	0.961	292	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OSi)(H)	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OSi)(H){2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){2|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]2O)	109.8045	0.011	2	109.8045	0.000	2	110.1569	0.633	16	109.5193	0.961	292	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(OH)(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]2O)	109.0230	0.000	1	109.0230	0.000	1	109.4888	0.985	266	109.5193	0.961	292	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(OSi)(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(OSi)(H){2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]2O)	109.8350	0.000	1	109.8350	0.000	1	109.4888	0.985	266	109.5193	0.961	292	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[6,6]O[6,6]O)(OSi)(H)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[6,6]O[6,6]O)(OSi)(H){2|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|H<1>,2|C<4>,3|O<2>}	H(C[6,6]C[3x6]2O)	109.2943	0.152	4	109.2943	0.023	4	109.4888	0.985	266	109.5193	0.961	292	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H)	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H){1|H<1>,2|O<2>,3|C<4>}	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[3x6]2O)	108.3600	0.000	1	108.3600	0.000	1	109.4888	0.985	266	109.5193	0.961	292	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H)	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H){1|H<1>,2|O<2>,3|C<4>}	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[3x6]2O)	108.3560	0.000	1	109.9106	0.581	143	109.4888	0.985	266	109.5193	0.961	292	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H)	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[3x6]2O)	109.6595	0.491	4	109.9106	0.581	143	109.4888	0.985	266	109.5193	0.961	292	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H)	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]2O)	109.9190	0.781	122	109.9106	0.581	143	109.4888	0.985	266	109.5193	0.961	292	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H)	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[3x6]2O)	110.0063	0.582	16	109.9106	0.581	143	109.4888	0.985	266	109.5193	0.961	292	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H)	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H){1|H<1>,2|O<2>,3|C<4>}	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[3x6]2O)	108.9070	0.000	1	108.9070	0.000	1	109.4888	0.985	266	109.5193	0.961	292	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H)	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H){1|N<3>,1|N<4>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]2O)	108.4760	0.051	2	108.2080	0.097	4	109.4888	0.985	266	109.5193	0.961	292	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H)	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H){2|C<4>,2|H<1>,2|N<3>}	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]2O)	107.9400	0.018	2	108.2080	0.097	4	109.4888	0.985	266	109.5193	0.961	292	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H)	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H){1|H<1>,2|O<2>,3|C<4>}	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[3x6]2O)	108.7960	0.000	1	108.8359	1.003	81	109.4888	0.985	266	109.5193	0.961	292	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H)	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[3x6]2O)	109.0055	1.170	12	108.8359	1.003	81	109.4888	0.985	266	109.5193	0.961	292	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H)	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]2O)	108.8065	0.983	68	108.8359	1.003	81	109.4888	0.985	266	109.5193	0.961	292	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H)	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]P[3x6])(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H){1|C<4>,1|P<4>,2|H<1>,2|O<2>}	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]P[3x6])(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[6,6]C[3x6]2O)	108.5070	1.921	6	108.5070	3.689	6	109.4888	0.985	266	109.5193	0.961	292	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OS)(H)	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OS)(H){2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[3x6]2O)	110.3055	0.006	2	109.7473	0.149	24	109.4888	0.985	266	109.5193	0.961	292	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OS)(H)	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OS)(H){2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]2O)	109.7034	0.379	14	109.7473	0.149	24	109.4888	0.985	266	109.5193	0.961	292	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OS)(H)	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OS)(H){2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[3x6]2O)	109.6846	0.353	8	109.7473	0.149	24	109.4888	0.985	266	109.5193	0.961	292	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[5,6,6]-4:O-2:H-1:	C[3,6,6]-4:C[6,6]-4:N[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]N[6,6]H)(C[5,6,6]C[5,3x6]N[5]H)(OH)(H)	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[5,6,6]HO)(N[6,6]N[6,6])(H)	H(C[6,6]C[5,6,6]C[3x6]O)	C[6,6](C[3x6]C[3,6,6]N[6,6]H)(C[5,6,6]C[5,3x6]N[5]H)(OH)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,3|C<4>}	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[5,6,6]HO)(N[6,6]N[6,6])(H){1|C<4>,1|N<3>,2|H<1>}	H(C[6,6]C[5,6,6]C[3x6]O)	109.7900	0.000	1	109.7900	0.000	1	109.7900	0.000	1	109.5193	0.961	292	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(OH)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(OH)(H){1|C<3>,1|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	108.7410	0.000	1	108.8580	0.006	4	108.8580	0.006	4	109.5193	0.961	292	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(OH)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[6,6]C[3x6]C[6,6]O)	108.8970	0.019	3	108.8580	0.006	4	108.8580	0.006	4	109.5193	0.961	292	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(OC)(H)	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]HS)(O[6,6]C[6,6])(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(OC)(H){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]HS)(O[6,6]C[6,6])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6,6]C[3x6]C[6,6]O)	109.8910	0.000	1	109.8910	0.000	1	109.7015	0.071	4	109.5193	0.961	292	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HS)(OC)(H)	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]HH)(O[6,6]C[6,6])(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HS)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]HH)(O[6,6]C[6,6])(H){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	109.3090	0.000	1	109.3090	0.000	1	109.7015	0.071	4	109.5193	0.961	292	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]CH)(OH)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HO)(O[6,6]C[5,6,6])(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]CH)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HO)(O[6,6]C[5,6,6])(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	109.8030	0.062	2	109.8030	0.004	2	109.7015	0.071	4	109.5193	0.961	292	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:2:2:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H){1|H<1>,7|C<4>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[3x6]2O)	108.2620	0.000	1	108.2620	0.000	1	108.2620	0.000	1	107.8530	2.638	18	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:2:2:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OC)(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OC)(H){8|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	H(C[6,6]C[3x6]2O)	108.4100	0.429	2	108.4100	0.184	2	107.1106	2.791	11	107.8530	2.638	18	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:2:2:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H){1|C<3>,7|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[3x6]2O)	105.0395	2.109	2	106.8219	2.950	9	107.1106	2.791	11	107.8530	2.638	18	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:2:2:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H){1|C<3>,7|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	H(C[6,6]C[3x6]2O)	106.7220	0.000	1	106.8219	2.950	9	107.1106	2.791	11	107.8530	2.638	18	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:2:2:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H){2|C<3>,6|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[3x6]2O)	106.4200	1.441	3	106.8219	2.950	9	107.1106	2.791	11	107.8530	2.638	18	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:2:2:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H){8|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	H(C[6,6]C[3x6]2O)	108.2645	0.221	2	106.8219	2.950	9	107.1106	2.791	11	107.8530	2.638	18	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:2:2:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H){8|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[3x6]2O)	108.8070	0.000	1	106.8219	2.950	9	107.1106	2.791	11	107.8530	2.638	18	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:2:2:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[6,6]O[6,6]O)(OSi)(H)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(OH)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[6,6]O[6,6]O)(OSi)(H){2|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(OH){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[3x6]2O)	109.3278	0.130	4	109.3278	0.017	4	109.3278	0.017	4	107.8530	2.638	18	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:2:2:	4:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-2:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]O)(C[6,6]C[3x6]HH)(CN)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HW)(N[6,6]C[6,6])(OC)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6]O)(C[6,6]C[3x6]HH)(CN)(H){1|C<3>,1|C<4>,1|W<7>,2|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HW)(N[6,6]C[6,6])(OC){1|C<4>,1|O<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	109.1210	0.000	1	109.1210	0.000	1	109.1210	0.000	1	107.8530	2.638	18	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:2:2:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]O)(C[6,6]C[4x6]HH)(OH)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(OH)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[5,6,6]O[6,6]O)(C[6,6]C[4x6]HH)(OH)(H){2|C<3>,3|C<4>}	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(OH){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	108.4430	0.000	1	108.4430	0.000	1	108.4430	0.000	1	107.8530	2.638	18	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:2:3:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[3x6]HO)(OH)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(O[6,6]O[6,6])(C[6a]C[6a]2)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[3x6]HO)(OH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(O[6,6]O[6,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	108.6030	0.263	2	108.6030	0.069	2	108.6030	0.069	2	108.6030	0.069	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:2:4:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(OH)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(CH3)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(OH)(H){2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(CH3){3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	109.1530	0.000	1	109.1530	0.000	1	108.8144	0.767	7	108.8144	0.767	7	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:2:4:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(OH)(H)	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]HH)(O[6,6]C[6,6])(CHHO)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]HH)(O[6,6]C[6,6])(CHHO){1|C<4>,1|N<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	108.7580	0.945	6	108.7580	0.893	6	108.8144	0.767	7	108.8144	0.767	7	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[5,4x6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2H)(OC)(H)	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]HO)(C[6]C[6,6a]O)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2H)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]HO)(C[6]C[6,6a]O)(H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[3x6]2O)	109.5755	0.090	2	109.5755	0.008	2	108.9640	1.126	3	108.7144	1.028	31	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[5,4x6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,5,3x6]C[6,6]H)(C[3x6]C[5,4x6]C[6]H)(OC)(H)	C[3x6](C[5,4x6]C[5,5,3x6]C[5,6,6]O[6])(C[6,6]C[3x6]HO)(C[6]C[6,6a]O)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[5,5,3x6]C[6,6]H)(C[3x6]C[5,4x6]C[6]H)(OC)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>,3|O<2>}	C[3x6](C[5,4x6]C[5,5,3x6]C[5,6,6]O[6])(C[6,6]C[3x6]HO)(C[6]C[6,6a]O)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]2O)	107.7410	0.000	1	107.7410	0.000	1	108.9640	1.126	3	108.7144	1.028	31	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[4x6]H)(C[3x6]C[6,6]2H)(OH)(H)	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[3x6]C[4x6]H)(C[3x6]C[6,6]2H)(OH)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]2O)	109.5830	0.000	1	109.5830	0.000	1	109.6250	0.004	2	108.7144	1.028	31	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(OC)(H)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(C[6,6]C[3x6]H)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]2H)2(OC)(H){2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(C[6,6]C[3x6]H)(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2O)	109.6670	0.000	1	109.6670	0.000	1	109.6250	0.004	2	108.7144	1.028	31	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,3x6]O[6,6]H)(C[3x6]C[6,6]N[6,6]H)(OH)(H)	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[4x6]HH)(N[6,6]C[3x6]C)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[3,3x6]O[6,6]H)(C[3x6]C[6,6]N[6,6]H)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[4x6]HH)(N[6,6]C[3x6]C)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[3x6]2O)	108.9680	0.000	1	108.9680	0.000	1	109.0140	0.300	5	108.7144	1.028	31	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[6,6]N[6,6]H)(OH)(H)	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[4x6]HH)(N[6,6]C[3x6]C)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[6,6]N[6,6]H)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[4x6]HH)(N[6,6]C[3x6]C)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[3x6]2O)	108.6145	0.419	2	108.6145	0.176	2	109.0140	0.300	5	108.7144	1.028	31	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(OH)(H)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(N[6,6]C[3x6]C)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(N[6,6]C[3x6]C)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[3x6]2O)	109.0200	0.000	1	109.0200	0.000	1	109.0140	0.300	5	108.7144	1.028	31	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(OSi)(H)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(N[6,6]C[3x6]C)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(OSi)(H){2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(N[6,6]C[3x6]C)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[3x6]2O)	109.8530	0.000	1	109.8530	0.000	1	109.0140	0.300	5	108.7144	1.028	31	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CN)(H)	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CN)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.1380	0.000	1	108.1380	0.000	1	108.1380	0.000	1	108.7144	1.028	31	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CN)(H)	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CN)(H){1|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.9010	0.470	2	108.9010	0.220	2	108.9010	0.220	2	108.7144	1.028	31	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HO)(OH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HO)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	108.1425	1.913	2	108.1425	3.659	2	108.1425	3.659	2	108.7144	1.028	31	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]OO)(OH)(H)	C[3x6](C[6,6]C[6,6]HN)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]OO)(OH)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]HN)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]C)(H){1|Br<1>,1|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[3x6]C[6,6]O)	107.6740	0.427	2	107.6740	0.182	2	107.6740	0.182	2	108.7144	1.028	31	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(OC)(H)	C[3x6](C[6,6]C[6,6]HO)2(N[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]HO)2(N[6,6]C[6,6]C)(H){1|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	109.7935	0.095	2	109.7935	0.009	2	109.7935	0.009	2	108.7144	1.028	31	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:3:1:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(O[6]C[6])(H)	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H)	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6]O[6])	108.4610	0.000	1	108.4610	0.000	1	108.1452	0.346	5	108.7144	1.028	31	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:3:1:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H)	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[6]O[6])	107.5295	0.029	2	108.0662	0.420	4	108.1452	0.346	5	108.7144	1.028	31	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:3:1:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H)	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6]O[6])	108.6030	0.328	2	108.0662	0.420	4	108.1452	0.346	5	108.7144	1.028	31	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,3x6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OH)(H)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,3x6]HO)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[5,3x6]C[3x6]O)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OH)(H){1|C<3>,2|H<1>,6|C<4>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,3x6]HO)(C[6,6]C[6,6]C)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[5,3x6]C[3x6]O)	107.9750	0.000	2	107.9750	0.000	2	108.7157	2.492	6	108.7144	1.028	31	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,3x6]HO)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[5,3x6]C[3x6]O)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,3x6]HO)(C[6,6]C[6,6]C)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[5,3x6]C[3x6]O)	110.2750	0.823	2	110.2750	0.677	2	108.7157	2.492	6	108.7144	1.028	31	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H)	C[3x6](C[6,6]C[5,3x6]HO)2(C[6,6]C[6,6]C)(H)	H(C[6,6]C[5,3x6]C[3x6]O)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H){1|C<3>,1|H<1>,1|O<2>,6|C<4>}	C[3x6](C[6,6]C[5,3x6]HO)2(C[6,6]C[6,6]C)(H){3|C<4>,4|H<1>}	H(C[6,6]C[5,3x6]C[3x6]O)	106.4000	0.000	1	106.4000	0.000	1	108.7157	2.492	6	108.7144	1.028	31	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H)	C[3x6](C[6,6]C[5,3x6]HO)2(C[6,6]C[6,6]C)(H)	H(C[6,6]C[5,3x6]C[3x6]O)	C[6,6](C[5,3x6]C[5,5,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[6,6]C[5,3x6]HO)2(C[6,6]C[6,6]C)(H){3|C<4>,4|H<1>}	H(C[6,6]C[5,3x6]C[3x6]O)	109.3940	0.000	1	109.3940	0.000	1	108.7157	2.492	6	108.7144	1.028	31	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(OH)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]O)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(OH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	108.7540	0.000	1	108.7540	0.000	1	108.7540	0.000	1	108.7144	1.028	31	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:3:2:	4:	C[3x6]-4:C[4x6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[4x6]C[5x6]C[6,6]H)(OC)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[4x6]HO)(C[6,6]C[3x6]C)(OH)	H(C[6,6]C[3x6]C[4x6]O)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[4x6]C[5x6]C[6,6]H)(OC)(H){1|H<1>,2|C<3>,6|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[4x6]HO)(C[6,6]C[3x6]C)(OH){1|N<3>,4|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[4x6]O)	108.2900	0.000	1	108.2900	0.000	1	108.2900	0.000	1	108.2060	0.014	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:3:2:	4:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(CN)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HW)(C[6,6]C[6,6]H)(OC)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(CN)(H){1|C<3>,1|C<4>,1|W<7>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HW)(C[6,6]C[6,6]H)(OC){1|C<4>,1|O<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.1220	0.000	1	108.1220	0.000	1	108.1220	0.000	1	108.2060	0.014	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:3:4:	4:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:N[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(CN)(H)	C[3x6](C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CF3)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(CN)(H){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CF3){2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.1680	0.000	1	108.1680	0.000	1	108.1680	0.000	1	109.0811	0.708	7	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:3:4:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3,6,6]-4:C[6,6]-4:N[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]N[6,6]C)(C[6,6]C[3x6]HO)(OH)(H)	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[6,6]HO)(N[6,6]O[6,6]C)(CHHO)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[3,6,6]N[6,6]C)(C[6,6]C[3x6]HO)(OH)(H){2|C<3>,2|C<4>,2|O<2>}	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[6,6]HO)(N[6,6]O[6,6]C)(CHHO){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	110.1150	0.000	1	110.1150	0.000	1	110.1150	0.000	1	109.0811	0.708	7	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:3:4:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2)(CH3)	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6]O[6])	108.1490	0.000	1	108.1490	0.000	1	108.1490	0.000	1	109.0811	0.708	7	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:3:4:	4:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]2C)(OH)(H)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HO)(C[6,6]C[5,6,6]O)(CH3)	H(C[6,6]C[5,6,6]C[3x6]O)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]2C)(OH)(H){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HO)(C[6,6]C[5,6,6]O)(CH3){1|C<3>,1|H<1>,5|C<4>}	H(C[6,6]C[5,6,6]C[3x6]O)	109.6047	0.194	3	109.6047	0.038	3	109.6047	0.038	3	109.0811	0.708	7	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:3:4:	4:	C[6,6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]HO)(C[3x6]C[6,6]2C)(OH)(H)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[6,6]C[5,3x6]HO)(C[3x6]C[6,6]2C)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3){1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	108.3220	0.000	1	108.3220	0.000	1	108.3220	0.000	1	109.0811	0.708	7	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(HIr)(H)	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(HIr)(H){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	109.4920	0.000	1	109.4920	0.000	1	109.4920	0.000	1	109.0419	1.103	131	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:N-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(NC)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H)	H(C[6,6]C[3x6]2N)	C[6,6](C[3x6]C[6,6]2H)2(NC)(H){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2N)	109.6220	0.027	2	109.6220	0.001	2	109.6220	0.001	2	109.0419	1.103	131	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3,6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,6]C[4x6]H)(C[3x6]C[6,6]2C)(OC)(H)	C[3x6](C[3,6]C[3,6,6]O[3]H)(C[4x6]C[3x6]O[6,6]O)(C[6,6]C[3x6]HO)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[3,6]C[4x6]H)(C[3x6]C[6,6]2C)(OC)(H){3|C<4>,3|O<2>,4|H<1>}	C[3x6](C[3,6]C[3,6,6]O[3]H)(C[4x6]C[3x6]O[6,6]O)(C[6,6]C[3x6]HO)(H){6|C<4>}	H(C[6,6]C[3x6]2O)	109.1530	0.000	1	109.1530	0.000	1	109.1530	0.000	1	109.0419	1.103	131	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[4x6]H)(C[3x6]C[6,6]2H)(OH)(H)	C[3x6](C[3x6]C[3x6]C[6]2)(C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HO)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[3x6]C[4x6]H)(C[3x6]C[6,6]2H)(OH)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[3x6](C[3x6]C[3x6]C[6]2)(C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HO)(H){1|C<3>,1|N<2>,1|O<1>,4|C<4>,9|H<1>}	H(C[6,6]C[3x6]2O)	109.5710	0.000	1	109.5710	0.000	1	109.5710	0.000	1	109.0419	1.103	131	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(OH)(H)	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(OH)(H){1|C<3>,6|C<4>}	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	H(C[6,6]C[3x6]2O)	107.6510	0.000	1	107.6510	0.000	1	108.2601	1.181	13	109.0419	1.103	131	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OC)(H)	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OC)(H){8|C<4>}	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){3|C<4>,3|O<2>,6|H<1>}	H(C[6,6]C[3x6]2O)	108.4120	0.441	2	108.4120	0.195	2	108.2601	1.181	13	109.0419	1.103	131	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H)	C[3x6](C[4x6]C[3,6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H){1|C<3>,7|C<4>}	C[3x6](C[4x6]C[3,6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){3|C<4>,4|O<2>,5|H<1>}	H(C[6,6]C[3x6]2O)	110.3590	0.000	1	110.3590	0.000	1	108.2601	1.181	13	109.0419	1.103	131	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H)	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H){1|C<3>,7|C<4>}	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){3|C<4>,3|O<2>,6|H<1>}	H(C[6,6]C[3x6]2O)	106.6135	0.045	2	107.9832	1.195	8	108.2601	1.181	13	109.0419	1.103	131	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H)	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H){2|C<3>,6|C<4>}	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){1|C<3>,1|N<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6,6]C[3x6]2O)	109.8910	0.000	1	107.9832	1.195	8	108.2601	1.181	13	109.0419	1.103	131	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H)	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H){2|C<3>,6|C<4>}	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	H(C[6,6]C[3x6]2O)	107.7650	0.399	2	107.9832	1.195	8	108.2601	1.181	13	109.0419	1.103	131	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H)	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H){8|C<4>}	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){3|C<4>,3|O<2>,6|H<1>}	H(C[6,6]C[3x6]2O)	108.4060	0.300	3	107.9832	1.195	8	108.2601	1.181	13	109.0419	1.103	131	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[4x6]C[6]H)(OH)(H)	C[3x6](C[4x6]C[6,6]2O[6])(C[6,6]C[3x6]HO)(C[6]C[6]CH)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[4x6]C[6]H)(OH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[4x6]C[6,6]2O[6])(C[6,6]C[3x6]HO)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]2O)	108.6810	0.000	1	108.6810	0.000	1	108.2601	1.181	13	109.0419	1.103	131	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[5,5,3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,5,3x6]C[6,6]H)(C[3x6]C[5,4x6]C[6]H)(OC)(H)	C[3x6](C[5,5,3x6]C[5,5,3x6]O[5,5]O[5,6])(C[6,6]C[5,6,6]HH)(C[6,6]C[3x6]HO)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[5,5,3x6]C[6,6]H)(C[3x6]C[5,4x6]C[6]H)(OC)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>,3|O<2>}	C[3x6](C[5,5,3x6]C[5,5,3x6]O[5,5]O[5,6])(C[6,6]C[5,6,6]HH)(C[6,6]C[3x6]HO)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[3x6]2O)	107.7370	0.000	1	107.7370	0.000	1	107.7370	0.000	1	109.0419	1.103	131	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(OC)(H)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(OC)(H){2|H<1>,2|O<1>,4|C<4>}	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(H){2|C<4>,4|C<3>}	H(C[6,6]C[3x6]2O)	111.8080	2.848	2	111.8080	8.112	2	109.8446	1.106	33	109.0419	1.103	131	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(OC)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(OC)(H){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2O)	109.9020	0.000	1	109.9020	0.000	1	109.8446	1.106	33	109.0419	1.103	131	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(OH)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(OH)(H){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2O)	108.9210	0.000	1	108.9210	0.000	1	109.8446	1.106	33	109.0419	1.103	131	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(OC)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]2H)2(OC)(H){2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]2O)	109.6380	0.000	1	109.4851	0.130	17	109.8446	1.106	33	109.0419	1.103	131	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(OC)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]2H)2(OC)(H){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2O)	109.4756	0.371	16	109.4851	0.130	17	109.8446	1.106	33	109.0419	1.103	131	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(OC[5])(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]2H)2(OC[5])(H){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2O)	109.6115	0.015	2	109.6115	0.000	2	109.8446	1.106	33	109.0419	1.103	131	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(OC[6a])(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]2H)2(OC[6a])(H){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2O)	110.5550	0.523	2	110.5550	0.274	2	109.8446	1.106	33	109.0419	1.103	131	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(OH)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]2H)2(OH)(H){1|C<3>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]2O)	108.5795	0.067	2	108.5795	0.005	2	109.8446	1.106	33	109.0419	1.103	131	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(OS)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]2H)2(OS)(H){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2O)	110.6155	1.119	6	110.6155	1.252	6	109.8446	1.106	33	109.0419	1.103	131	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:I-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2I)2(OC)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(I)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]2I)2(OC)(H){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(I){1|I<1>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2O)	110.4005	0.077	2	110.4005	0.006	2	110.4005	0.006	2	109.0419	1.103	131	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:S-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(SW)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HS)(H)	H(C[6,6]C[3x6]2S)	C[6,6](C[3x6]C[6,6]2H)2(SW)(H){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HS)(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2S)	107.5585	0.045	2	107.5585	0.002	2	107.5585	0.002	2	109.0419	1.103	131	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:Se-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(SeW)(H)	C[3x6](C[6,6]C[3x6]SeH)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2Se)	C[6,6](C[3x6]C[6,6]2H)2(SeW)(H){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]SeH)(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2Se)	107.4360	0.027	2	107.4360	0.001	2	107.4360	0.001	2	109.0419	1.103	131	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:N-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(NC)(H)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H)	H(C[6,6]C[3x6]C[6,6]N)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(NC)(H){2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H){1|C<4>,1|N<2>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]N)	108.9610	0.294	2	108.9610	0.087	2	108.9610	0.087	2	109.0419	1.103	131	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(OC)(H)	C[3x6](C[6,6]C[6,6]ClH)(C[6,6]C[6,6]HO)2(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(OC)(H){1|Cl<1>,1|O<2>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]ClH)(C[6,6]C[6,6]HO)2(H){1|Cl<1>,1|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	109.6192	0.144	4	109.6192	0.021	4	108.9703	0.462	54	109.0419	1.103	131	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HO)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H){2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HO)(H){1|N<3>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	109.5500	0.091	2	108.9183	0.461	50	108.9703	0.462	54	109.0419	1.103	131	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HO)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H){2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HO)(H){1|N<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	108.8313	0.672	44	108.9183	0.461	50	108.9703	0.462	54	109.0419	1.103	131	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HO)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H){3|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HO)(H){1|N<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	109.5598	0.364	4	108.9183	0.461	50	108.9703	0.462	54	109.0419	1.103	131	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]CO)(O[6]C[6])(H)	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CC)(H)	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]CO)(O[6]C[6])(H){1|O<2>,4|H<1>,5|C<4>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CC)(H){1|O<2>,4|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6]O[6])	106.6940	0.000	1	106.6940	0.000	1	106.6940	0.000	1	109.0419	1.103	131	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(O[6]C[5,6])(H)	C[3x6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]C)(C[6,6]C[6]O[6]H)(H)	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(O[6]C[5,6])(H){1|O<2>,2|C<3>,7|C<4>}	C[3x6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]C)(C[6,6]C[6]O[6]H)(H){1|C<3>,1|O<1>,1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6]O[6])	107.7220	0.000	1	107.7220	0.000	1	107.7220	0.000	1	109.0419	1.103	131	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6,6]HO)(O[6]C[6])(H)	C[3x6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(H)	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6,6]HO)(O[6]C[6])(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]O[6])	108.9120	0.000	1	108.9120	0.000	1	108.2309	0.183	8	109.0419	1.103	131	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(O[6]C[6])(H)	C[3x6](C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2C)(H)	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[3x6](C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2C)(H){1|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[6]O[6])	108.3050	0.000	1	108.3050	0.000	1	108.2309	0.183	8	109.0419	1.103	131	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(O[6]S[6])(H)	C[3x6](C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2C)(H)	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(O[6]S[6])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2C)(H){1|O<1>,1|S<3>,3|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6]O[6])	108.2340	0.132	2	108.2340	0.017	2	108.2309	0.183	8	109.0419	1.103	131	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CO)(O[6]C[6])(H)	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2N)(H)	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CO)(O[6]C[6])(H){1|N<2>,1|O<1>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2N)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6]O[6])	108.3170	0.448	2	108.3170	0.201	2	108.2309	0.183	8	109.0419	1.103	131	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CO)(O[6]C[6])(H)	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)2(H)	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CO)(O[6]C[6])(H){1|O<1>,4|C<4>,4|H<1>}	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)2(H){1|C<3>,1|N<2>,1|O<2>,5|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6]O[6])	108.0290	0.000	1	108.0290	0.000	1	108.2309	0.183	8	109.0419	1.103	131	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	C[3x6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(H)	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,6|C<4>}	C[3x6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(H){1|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[6]O[6])	107.4990	0.000	1	107.4990	0.000	1	108.2309	0.183	8	109.0419	1.103	131	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[3x6]C[3x6]C[6,6]H)(OH)(H)	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[4x6]HO)(C[6,6]O[6,6]CH)(H)	H(C[6,6]C[3x6]C[4x6]O)	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[3x6]C[3x6]C[6,6]H)(OH)(H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[4x6]HO)(C[6,6]O[6,6]CH)(H){1|H<1>,2|C<3>,4|C<4>}	H(C[6,6]C[3x6]C[4x6]O)	107.6810	0.000	1	107.6810	0.000	1	107.6810	0.000	1	109.0419	1.103	131	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-4:O-2:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[5,4x6]O[6,6]O[6])(C[3x6]C[4x6]C[6]H)(OH)(H)	C[3x6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[4x6]HO)(C[6]C[6]CC)(H)	H(C[6,6]C[3x6]C[4x6]O)	C[6,6](C[4x6]C[5,4x6]O[6,6]O[6])(C[3x6]C[4x6]C[6]H)(OH)(H){2|C<3>,7|C<4>}	C[3x6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[4x6]HO)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,3|O<2>,5|H<1>}	H(C[6,6]C[3x6]C[4x6]O)	111.6190	0.000	1	111.6190	0.000	1	110.1455	4.342	2	109.0419	1.103	131	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-4:O-2:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[5,4x6]O[6,6]O[6])(C[3x6]C[4x6]C[6]H)(OH)(H)	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[4x6]HO)(C[6]C[6]CC)(H)	H(C[6,6]C[3x6]C[4x6]O)	C[6,6](C[4x6]C[5,4x6]O[6,6]O[6])(C[3x6]C[4x6]C[6]H)(OH)(H){2|C<3>,7|C<4>}	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[4x6]HO)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,3|O<2>,5|H<1>}	H(C[6,6]C[3x6]C[4x6]O)	108.6720	0.000	1	108.6720	0.000	1	110.1455	4.342	2	109.0419	1.103	131	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-4:O-2:H-1:	C[5x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[5,5x6]O[3x6]O)(C[3x6]C[5x6]C[6]H)(OH)(H)	C[3x6](C[5x6]C[4x6]2C[6])(C[6,6]C[4x6]HO)(C[6]C[6]CC)(H)	H(C[6,6]C[3x6]C[4x6]O)	C[6,6](C[4x6]C[5,5x6]O[3x6]O)(C[3x6]C[5x6]C[6]H)(OH)(H){1|C<3>,7|C<4>}	C[3x6](C[5x6]C[4x6]2C[6])(C[6,6]C[4x6]HO)(C[6]C[6]CC)(H){3|C<4>,3|O<2>,6|H<1>}	H(C[6,6]C[3x6]C[4x6]O)	108.9030	0.000	1	108.9030	0.000	1	108.9030	0.000	1	109.0419	1.103	131	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[3x6]C[6,6]H)(OH)(H)	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[5,6,6]C[3x6]O)	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[3x6]C[6,6]H)(OH)(H){4|C<4>,4|H<1>}	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6,6]C[5,6,6]C[3x6]O)	109.7160	0.000	1	109.7160	0.000	1	109.7160	0.000	1	109.0419	1.103	131	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,3x6]O[5]O)(C[3x6]C[6,6]2H)(OC)(H)	C[3x6](C[6,6]C[5,5,6,6]HH)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]HO)(H)	H(C[6,6]C[5,6,6]C[3x6]O)	C[6,6](C[5,6,6]C[5,5,3x6]O[5]O)(C[3x6]C[6,6]2H)(OC)(H){4|C<4>,4|H<1>}	C[3x6](C[6,6]C[5,5,6,6]HH)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]HO)(H){1|H<1>,2|O<2>,4|C<4>}	H(C[6,6]C[5,6,6]C[3x6]O)	108.8800	0.000	1	108.8800	0.000	1	108.8800	0.000	1	109.0419	1.103	131	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[3x6]-4:O[6]-2:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]O[5])(C[3x6]C[3x6]C[6]H)(O[6]C[6])(H)	C[3x6](C[3x6]C[5,6]C[6]N[6])(C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(H)	H(C[6,6]C[3x6]C[5,6]O[6])	C[6,6](C[5,6]C[5,6]C[5]O[5])(C[3x6]C[3x6]C[6]H)(O[6]C[6])(H){1|N<3>,1|O<1>,3|C<4>,3|O<2>,5|H<1>}	C[3x6](C[3x6]C[5,6]C[6]N[6])(C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(H){2|C<3>,2|C<4>,3|H<1>,3|O<2>}	H(C[6,6]C[3x6]C[5,6]O[6])	108.2030	0.000	1	108.2030	0.000	1	108.2030	0.000	1	109.0419	1.103	131	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(OC)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(OC)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(OC)(H){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(OC){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2O)	109.9480	0.000	1	109.9480	0.000	1	109.4385	0.519	2	108.5315	0.880	11	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(OH)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(OH)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(OH)(H){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(OH){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2O)	108.9290	0.000	1	108.9290	0.000	1	109.4385	0.519	2	108.5315	0.880	11	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:2:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(OH)(H)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HO)(OC)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HO)(OC){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	108.1780	0.667	4	108.1780	0.445	4	108.1780	0.445	4	108.5315	0.880	11	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2O)(C[6]C[6]CO)(O[6]C[6])(H)	C[3x6](C[6,6]C[6]O[6]H)3(OH)	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6]2O)(C[6]C[6]CO)(O[6]C[6])(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[3x6](C[6,6]C[6]O[6]H)3(OH){2|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6]O[6])	108.2510	0.000	1	108.2510	0.000	1	109.0997	0.744	3	108.5315	0.880	11	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2O)(C[6]C[6]HH)(O[6]C[6])(H)	C[3x6](C[6,6]C[6]O[6]H)3(OH)	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6]2O)(C[6]C[6]HH)(O[6]C[6])(H){2|C<4>,4|H<1>,4|O<2>}	C[3x6](C[6,6]C[6]O[6]H)3(OH){2|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6]O[6])	109.0720	0.000	1	109.0720	0.000	1	109.0997	0.744	3	108.5315	0.880	11	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2O)(C[6]C[6]HO)(O[6]C[6])(H)	C[3x6](C[6,6]C[6]O[6]H)3(OH)	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6]2O)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[3x6](C[6,6]C[6]O[6]H)3(OH){2|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6]O[6])	109.9760	0.000	1	109.9760	0.000	1	109.0997	0.744	3	108.5315	0.880	11	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[3x6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]O)(C[3x6]C[6,6]2O)(O[6]C[6])(H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2H)(OC)	H(C[6,6]C[3x6]C[6,6]O[6])	C[6,6](C[6,6]C[6,6]C[6]O)(C[3x6]C[6,6]2O)(O[6]C[6])(H){1|O<2>,2|O<1>,3|H<1>,5|C<4>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2H)(OC){1|O<2>,2|C<3>,4|H<1>,6|C<4>}	H(C[6,6]C[3x6]C[6,6]O[6])	107.4790	0.352	2	107.4790	0.124	2	107.4790	0.124	2	108.5315	0.880	11	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:3:	4:	C[3x6]-4:C[3,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[3,6]C[3,6]O[3]H)(O[6]Si[6])(H)	C[3x6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[3,6]O[6]H)(C[6,6]C[6]O[6]H)(COO)	H(C[6,6]C[3,6]C[3x6]O[6])	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[3,6]C[3,6]O[3]H)(O[6]Si[6])(H){2|H<1>,2|O<2>,5|C<4>}	C[3x6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[3,6]O[6]H)(C[6,6]C[6]O[6]H)(COO){1|Si<4>,3|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[3,6]C[3x6]O[6])	106.9430	0.000	1	106.9430	0.000	1	106.9430	0.000	1	106.4515	0.483	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:3:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6]C[5,6]HH)(O[6]Si[6])(H)	C[3x6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[3,6]O[6]H)(C[6,6]C[6]O[6]H)(COO)	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6]C[5,6]HH)(O[6]Si[6])(H){2|H<1>,2|O<2>,6|C<4>}	C[3x6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[3,6]O[6]H)(C[6,6]C[6]O[6]H)(COO){1|Si<4>,3|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]O[6])	105.9600	0.000	1	105.9600	0.000	1	105.9600	0.000	1	106.4515	0.483	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:H-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(HIr)(H)	C[3x6](C[6,6]C[3x6]HH)3(CHHP)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(HIr)(H){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(CHHP){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	109.4940	0.000	1	109.4940	0.000	1	109.4940	0.000	1	107.9213	1.391	15	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[3,6]C[4x6]H)(C[3x6]C[6,6]2C)(OC)(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(C[6,6]O[6,6]HH)(CH3)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[3,6]C[4x6]H)(C[3x6]C[6,6]2C)(OC)(H){3|C<4>,3|O<2>,4|H<1>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(C[6,6]O[6,6]HH)(CH3){1|H<1>,4|C<4>}	H(C[6,6]C[3x6]2O)	109.1480	0.000	1	109.1480	0.000	1	107.7276	1.302	13	107.9213	1.391	15	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)2(OH)(H)	C[3x6](C[6,6]C[3x6]HO)2(C[6,6]N[3x6]HH)(CCHH)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]2C)2(OH)(H){1|C<4>,1|N<3>,2|O<2>,6|H<1>}	C[3x6](C[6,6]C[3x6]HO)2(C[6,6]N[3x6]HH)(CCHH){5|C<4>}	H(C[6,6]C[3x6]2O)	107.6092	1.105	12	107.6092	1.221	12	107.7276	1.302	13	107.9213	1.391	15	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:2:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(O[6]C[6])(H)	C[3x6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(CH3)	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[3x6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(CH3){1|C<3>,1|O<1>,2|O<2>,3|H<1>,6|C<4>}	H(C[6,6]C[3x6]C[6]O[6])	108.8660	0.000	1	108.8660	0.000	1	108.8660	0.000	1	107.9213	1.391	15	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	3:3:4:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(COO)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(COO)(H){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){1|C<4>,3|H<1>,5|C<3>}	H(C[6,6]C[3x6]C[6,6]C)	106.4029	1.115	15	106.4029	1.242	15	106.5083	1.337	16	107.1078	1.946	31	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	3:3:4:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(COO)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(COO)(H){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.0890	0.000	1	108.0890	0.000	1	106.5083	1.337	16	107.1078	1.946	31	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	3:3:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a]H)(H)	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a]H)(H){1|C<4>,3|H<1>,7|C<3>}	H(C[6,6]C[3x6]C[6,6]C[6a])	107.2720	0.000	1	107.2720	0.000	1	107.2720	0.000	1	107.1078	1.946	31	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	3:3:4:1:	4:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NCH)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H)	H(C[6,6]C[3x6]C[6,6]N)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NCH)(H){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]N)	107.9925	0.039	2	107.9925	0.002	2	108.3020	1.225	9	107.1078	1.946	31	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	3:3:4:1:	4:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHH)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H)	H(C[6,6]C[3x6]C[6,6]N)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHH)(H){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]N)	111.1410	0.000	1	108.5504	2.231	5	108.3020	1.225	9	107.1078	1.946	31	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	3:3:4:1:	4:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHH)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H)	H(C[6,6]C[3x6]C[6,6]N)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHH)(H){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H){1|C<4>,1|N<4>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]N)	107.9027	0.422	4	108.5504	2.231	5	108.3020	1.225	9	107.1078	1.946	31	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	3:3:4:1:	4:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHS)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H)	H(C[6,6]C[3x6]C[6,6]N)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHS)(H){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]N)	107.6910	0.000	1	107.6910	0.000	1	108.3020	1.225	9	107.1078	1.946	31	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	3:3:4:1:	4:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HO)(NHH)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H)	H(C[6,6]C[3x6]C[6,6]N)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HO)(NHH)(H){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]N)	108.2900	0.000	1	108.2900	0.000	1	108.3020	1.225	9	107.1078	1.946	31	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	3:3:4:1:	4:	C[3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N[5]H)(N[5]C[5,6a]C[5])(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N[5]H)(H)	H(C[6,6]C[3x6]C[6,6]N[5])	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N[5]H)(N[5]C[5,6a]C[5])(H){1|Rh<6>,1|H<1>,1|N<3>,8|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N[5]H)(H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	H(C[6,6]C[3x6]C[6,6]N[5])	105.5950	1.994	2	105.5950	3.976	2	105.5950	3.976	2	107.1078	1.946	31	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	3:3:4:1:	4:	C[6,6]-4:C[3x6]-4:C-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6,6a]2H)(COO)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6,6a]2H)(COO)(H){1|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){1|C<4>,3|H<1>,5|C<3>}	H(C[6,6]C[3x6]C[6,6]C)	108.1050	0.000	1	108.1050	0.000	1	108.1050	0.000	1	107.1078	1.946	31	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	3:3:4:1:	4:	C[6,6]-4:C[3x6]-4:N[5a]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]N[5a]H)(C[3x6]C[6,6,6a]2H)(N[5a]C[5a]2)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N[5a]H)(H)	H(C[6,6]C[3x6]C[6,6]N[5a])	C[6,6](C[6,6]C[3x6]N[5a]H)(C[3x6]C[6,6,6a]2H)(N[5a]C[5a]2)(H){1|N<2>,3|H<1>,7|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N[5a]H)(H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	H(C[6,6]C[3x6]C[6,6]N[5a])	107.4625	0.315	2	107.4625	0.099	2	107.4625	0.099	2	107.1078	1.946	31	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	3:4:2:3:	4:	C[5,6,6]-4:C[3x6]-4:C-3:H-1:	C[6,6]-3:C[6,6]-4:O[6,6]-2:C[6a]-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[6a]C[5])(C[3x6]C[6,6]O[6,6]C[6a])(CC[6a]O)(H)	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[5,6,6]CH)(O[6,6]C[5,6,6])(C[6a]C[6a]2)	H(C[6,6]C[5,6,6]C[3x6]C)	C[6,6](C[5,6,6]C[5,3x6]C[6a]C[5])(C[3x6]C[6,6]O[6,6]C[6a])(CC[6a]O)(H){1|C<4>,1|H<1>,8|C<3>}	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[5,6,6]CH)(O[6,6]C[5,6,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,9|C<3>}	H(C[6,6]C[5,6,6]C[3x6]C)	107.0020	0.000	1	107.0020	0.000	1	107.0020	0.000	1	107.0020	0.000	1	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	3:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(COO)(H)	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(COO)(H){1|C<4>,2|C<3>,2|H<1>}	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|Br<1>,1|Cl<1>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.5130	0.000	1	107.5845	0.010	2	107.5845	0.010	2	107.6642	0.028	5	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	3:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(COO)(H)	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(COO)(H){1|C<4>,2|C<3>,2|H<1>}	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){2|Br<1>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.6560	0.000	1	107.5845	0.010	2	107.5845	0.010	2	107.6642	0.028	5	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	3:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]C[5]H)(CHO)(H)	C[3x6](N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]C[5]H)(CHO)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[3x6](N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]C)	107.6385	0.204	2	107.6385	0.042	2	107.6385	0.042	2	107.6642	0.028	5	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	3:4:3:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]C[6]CH)(C[6]O[6]O)(H)	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]C[6]CH)(C[6]O[6]O)(H){2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H){1|C<4>,2|H<1>,2|O<1>,2|O<2>,3|C<3>}	H(C[6,6]C[3x6]C[6]2)	107.8750	0.000	1	107.8750	0.000	1	107.8750	0.000	1	107.6642	0.028	5	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	3:4:3:4:	4:	C[3x6]-4:C[3x6]-4:C-3:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2C)(CCH)(H)	C[3x6](C[6,6]C[5,6,6]O)(C[6,6]C[3x6]CH)(C[6,6]C[3x6]O)(CCCH)	H(C[6,6]C[3x6]2C)	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2C)(CCH)(H){1|C<3>,2|O<1>,4|C<4>}	C[3x6](C[6,6]C[5,6,6]O)(C[6,6]C[3x6]CH)(C[6,6]C[3x6]O)(CCCH){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[3x6]2C)	105.8340	0.000	1	105.8340	0.000	1	105.8340	0.000	1	107.0004	0.766	8	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	3:4:3:4:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-3:C[6,6]-4:N[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[5,3x6]HH)(CCC)(H)	C[3x6](C[6,6]N[5,6,6]O)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(CC[5a]HH)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[5,3x6]HH)(CCC)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[3x6](C[6,6]N[5,6,6]O)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(CC[5a]HH){1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	106.0220	0.000	1	106.0220	0.000	1	106.0220	0.000	1	107.0004	0.766	8	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	3:4:3:4:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	N[6,6]-3:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(COO)(H)	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(CH3)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(COO)(H){2|C<3>,3|C<4>}	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(CH3){2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.5240	0.000	1	108.5240	0.000	1	108.5240	0.000	1	107.0004	0.766	8	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	3:4:3:4:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6,6]O[6,6]O)(CH3)	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6,6]O[6,6]O)(CH3){2|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]C[6a])	106.5060	0.000	1	106.5060	0.000	1	107.1246	0.162	5	107.0004	0.766	8	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	3:4:3:4:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6,6]O[6,6]O)(CH3)	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6,6]O[6,6]O)(CH3){1|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]C[6a])	107.3640	0.205	3	107.2793	0.057	4	107.1246	0.162	5	107.0004	0.766	8	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	3:4:3:4:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6,6]O[6,6]O)(CH3)	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6,6]O[6,6]O)(CH3){1|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]C[6a])	107.0250	0.000	1	107.2793	0.057	4	107.1246	0.162	5	107.0004	0.766	8	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	3:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C-3:H-1:	N[4x6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHO)(H)	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HH)(H)	H(C[6,6]C[3x6]2C)	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHO)(H){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2C)	105.6810	0.000	1	106.8915	2.931	2	106.8915	2.931	2	107.4554	1.064	5	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	3:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C-3:H-1:	N[4x6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHO)(H)	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HH)(H)	H(C[6,6]C[3x6]2C)	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHO)(H){2|C<3>,2|C<4>,4|H<1>}	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[3x6]2C)	108.1020	0.000	1	106.8915	2.931	2	106.8915	2.931	2	107.4554	1.064	5	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	3:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]O[6]CC)(C[6]C[6]C)(H)	C[3x6](C[6,6,6a]C[5a,6,6a]C[6,6a])(C[6,6]C[6]2H)2(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]O[6]CC)(C[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6,6a]C[5a,6,6a]C[6,6a])(C[6,6]C[6]2H)2(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>,5|C<4>}	H(C[6,6]C[3x6]C[6]2)	107.6325	0.169	2	107.6325	0.029	2	107.6325	0.029	2	107.4554	1.064	5	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	3:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[3x6](C[6,6]C[6]N[6])(C[6,6]C[6]2H)2(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|N<3>,3|C<4>,4|H<1>}	C[3x6](C[6,6]C[6]N[6])(C[6,6]C[6]2H)2(H){2|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.2290	0.000	1	108.2290	0.000	1	108.2290	0.000	1	107.4554	1.064	5	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	3:4:4:2:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-4:C-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[3x6](C[6,6]N[6]O[6])(C[6,6]C[6]2H)2(CN)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[3x6](C[6,6]N[6]O[6])(C[6,6]C[6]2H)2(CN){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.3360	0.000	1	108.3195	0.001	2	108.3195	0.001	2	108.3195	0.001	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	3:4:4:2:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-4:C-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[3x6](C[6,6]N[6]O[6])(C[6,6]C[6]2H)2(CN)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	C[3x6](C[6,6]N[6]O[6])(C[6,6]C[6]2H)2(CN){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.3030	0.000	1	108.3195	0.001	2	108.3195	0.001	2	108.3195	0.001	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	3:4:4:3:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6,6a]-3:C[6,6]-4:C[3x6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[3x6]C[3x6]C[6]H)(CC[6a]O)	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[3x6]C[3x6]C[6]H)(CC[6a]O){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	H(C[6,6]C[3x6]C[6,6]C[6a])	106.8430	0.000	1	106.8430	0.000	1	106.8430	0.000	1	108.3130	0.631	6	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	3:4:4:3:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]N)(H)	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]N)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,2|O<2>,4|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.7740	0.000	1	108.7740	0.000	1	108.7740	0.000	1	108.3130	0.631	6	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	3:4:4:3:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)2(C[6]O[6]O)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)2(C[6]O[6]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>,6|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.9285	0.005	2	108.9285	0.000	2	108.5652	0.176	4	108.3130	0.631	6	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	3:4:4:3:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]HH)(C[6]O[6]O)(H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)2(C[6]O[6]O)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)2(C[6]O[6]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>,6|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.2020	0.000	2	108.2020	0.000	2	108.5652	0.176	4	108.3130	0.631	6	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:3:2:1:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H)	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,4|C<3>}	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]C[6a])	107.5455	0.375	2	107.5455	0.141	2	107.5455	0.141	2	107.0990	0.605	4	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:3:2:1:	4:	C[3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H)	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H)	H(C[6,6]C[3x6]C[6,6]N[5])	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H){1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]N[5])	106.6525	0.936	2	106.6525	0.875	2	106.6525	0.875	2	107.0990	0.605	4	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:3:2:4:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-3:O[6]-2:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6,6a]C[6]H)(CC[6a]O)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6,6a]C[6]H)(CC[6a]O)(H){3|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.2600	0.000	1	107.2600	0.000	1	107.2600	0.000	1	106.4600	1.280	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:3:2:4:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[5,3x6]HH)(C[6a]C[6a]2)(H)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]N[5,6,6]O)(O[6,6]O[6,6])(CH3)	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[5,3x6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]N[5,6,6]O)(O[6,6]O[6,6])(CH3){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6a])	105.6600	0.000	1	105.6600	0.000	1	105.6600	0.000	1	106.4600	1.280	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:3:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[3x6](C[6,6]C[3x6]C[6a]H)(C[6,6]N[6,6]O)2(H)	H(C[6,6]C[3x6]2C[6a])	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){2|C<4>,2|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[3x6](C[6,6]C[3x6]C[6a]H)(C[6,6]N[6,6]O)2(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]2C[6a])	107.3690	0.103	2	107.3690	0.011	2	107.3690	0.011	2	107.3184	0.600	17	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:3:3:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCO)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCO)(H){2|C<3>,3|C<4>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H){1|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.3720	0.000	1	108.3720	0.000	1	108.3720	0.000	1	107.3184	0.600	17	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:3:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:Cl-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]Cl)(C[6,6]C[6,6]O)(Cl)	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){2|Cl<1>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]Cl)(C[6,6]C[6,6]O)(Cl){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6,6]C[3x6]C[6,6]C[6a])	107.6393	0.573	3	107.4615	0.182	6	107.4615	0.182	6	107.3184	0.600	17	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:3:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:Cl-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]Cl)(C[6,6]C[6,6]O)(Cl)	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){2|Cl<1>,1|O<1>,2|H<1>,4|C<3>}	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]Cl)(C[6,6]C[6,6]O)(Cl){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6a])	107.2837	0.178	3	107.4615	0.182	6	107.4615	0.182	6	107.3184	0.600	17	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:3:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]C[6a])	106.8040	0.000	1	106.8040	0.000	1	106.8040	0.000	1	107.3184	0.600	17	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:3:3:1:	4:	C[3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H)	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]N[5])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(H){1|O<1>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]N[5])	109.5050	0.000	1	109.5050	0.000	1	109.5050	0.000	1	107.3184	0.600	17	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[3x6](C[6,6]C[5,6,6]C[6a]H)(C[6,6]C[5,5,6,6]O)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[5,6,6]C[3x6]C[6a])	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6]C[5,6,6]C[6a]H)(C[6,6]C[5,5,6,6]O)(C[6,6]C[6,6]C)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[5,6,6]C[3x6]C[6a])	106.8330	0.000	1	106.8330	0.000	1	106.7615	0.010	2	107.3184	0.600	17	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[3x6](C[6,6]C[5,6,6]C[6a]H)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[5,6,6]C[3x6]C[6a])	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|O<1>,3|C<3>,4|H<1>}	C[3x6](C[6,6]C[5,6,6]C[6a]H)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(H){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	H(C[6,6]C[5,6,6]C[3x6]C[6a])	106.6900	0.000	1	106.6900	0.000	1	106.7615	0.010	2	107.3184	0.600	17	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:3:3:1:	4:	C[6,6]-4:C[3x6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]CH)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[5,6,6]O)2(H)	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[6,6]C[5,3x6]CH)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[5,6,6]O)2(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]C[6a])	106.6755	0.191	4	106.6755	0.036	4	106.6755	0.036	4	107.3184	0.600	17	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:3:3:2:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-3:N[6,6]-3:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]O)(C[6,6]C[3x6]HH)(COO)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(OH)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6]O)(C[6,6]C[3x6]HH)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(OH){1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	109.2370	0.000	1	109.2370	0.000	1	109.2370	0.000	1	108.9137	0.105	3	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:3:3:2:	4:	C[6,6]-4:C[3x6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2O)(CCO)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2O)(CCO)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH){1|C<3>,1|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.7520	0.229	2	108.7520	0.052	2	108.7520	0.052	2	108.9137	0.105	3	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:3:3:3:	4:	C[3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H)	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(NCH)	H(C[6,6]C[3x6]C[6,6]N[5])	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H){1|C<3>,1|O<2>,2|O<1>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(NCH){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]N[5])	107.2977	0.599	3	107.2977	0.358	3	107.2977	0.358	3	107.2977	0.358	3	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:3:3:4:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(COO)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CH3)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(COO)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CH3){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]C)	107.9080	0.000	1	107.9080	0.000	1	107.9080	0.000	1	107.9080	0.000	1	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:3:4:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3,6,6]-4:N[5,6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]N[5,6,6]H)(C[6,6]C[3x6]C[5]H)(CHO)(H)	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CH)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[3,6,6]N[5,6,6]H)(C[6,6]C[3x6]C[5]H)(CHO)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]C)	106.8410	0.000	1	106.8410	0.000	1	106.8410	0.000	1	106.8410	0.000	1	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:3:4:4:	4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]CH)(N[6]C[6]S)(H)	C[3x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6]H)(CCHH)	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]CH)(N[6]C[6]S)(H){1|C<3>,4|C<4>,4|H<1>}	C[3x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6]H)(CCHH){1|S<4>,6|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6]N[6])	107.4900	0.000	1	107.4900	0.000	1	107.4900	0.000	1	107.4900	0.000	1	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]O[6,6]H)(CC[6]H)(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2C)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]O[6,6]H)(CC[6]H)(H){1|O<2>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]2C)	90.4292	0.000	1	90.4292	0.000	1	90.4292	0.000	1	106.6545	29.274	11	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCC)(H)	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2N)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCC)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]2N)	107.6415	0.377	2	107.9270	0.316	3	107.9340	0.259	6	106.6545	29.274	11	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCC)(H)	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2N)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCC)(H){1|N<4>,1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]2N)	108.4980	0.000	1	107.9270	0.316	3	107.9340	0.259	6	106.6545	29.274	11	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCC)(H)	C[3x6](C[6,6]C[3x6]HN)2(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2N)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCC)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[3x6]HN)2(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]2N)	107.6480	0.387	2	107.9410	0.333	3	107.9340	0.259	6	106.6545	29.274	11	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCC)(H)	C[3x6](C[6,6]C[3x6]HN)2(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2N)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCC)(H){1|N<4>,1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[3x6]HN)2(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]2N)	108.5270	0.000	1	107.9410	0.333	3	107.9340	0.259	6	106.6545	29.274	11	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:O-3:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OZn2)(H)	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OZn2)(H){2|C<4>,2|H<1>,2|N<4>}	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]2O)	108.8985	0.036	2	108.8985	0.001	2	108.8985	0.001	2	106.6545	29.274	11	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:2:1:	4:	C[3x6]-4:C[5,6,6]-4:C-3:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(COO)(H)	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]CH)(O[6,6]C[6,6])(H)	H(C[6,6]C[5,6,6]C[3x6]C)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(COO)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]CH)(O[6,6]C[6,6])(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[5,6,6]C[3x6]C)	108.6845	0.213	2	108.6845	0.045	2	108.6845	0.045	2	106.6545	29.274	11	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:2:2:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-2:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]O)(C[6,6]C[3x6]HH)(COO)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HW)(N[6,6]C[6,6])(OC)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6]O)(C[6,6]C[3x6]HH)(COO)(H){1|C<3>,1|C<4>,1|W<7>,2|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HW)(N[6,6]C[6,6])(OC){1|C<4>,1|O<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.4070	0.233	2	108.4070	0.054	2	108.4070	0.054	2	108.4070	0.054	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:2:4:	4:	C[3x6]-4:C[3x6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]O[6,6]H)(CC[6]H)(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CCHH)	H(C[6,6]C[3x6]2C)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]O[6,6]H)(CC[6]H)(H){1|O<2>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CCHH){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6,6]C[3x6]2C)	90.4272	0.000	1	90.4272	0.000	1	90.4272	0.000	1	90.4272	0.000	1	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:C-3:H-1:	C[4x6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(CCH)(H)	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CH)(C[6]C[6a]C[6])(H)	H(C[6,6]C[3x6]2C)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(CCH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CH)(C[6]C[6a]C[6])(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[3x6]2C)	107.0520	0.000	1	107.0520	0.000	1	107.0520	0.000	1	107.3561	1.072	88	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:C-3:H-1:	C[5,4x6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2C)(CCH)(H)	C[3x6](C[5,4x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]CH)(C[6]C[6]C)(H)	H(C[6,6]C[3x6]2C)	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2C)(CCH)(H){1|C<3>,2|O<1>,4|C<4>}	C[3x6](C[5,4x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]CH)(C[6]C[6]C)(H){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]2C)	107.2360	0.000	1	107.2360	0.000	1	107.2360	0.000	1	107.3561	1.072	88	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(CCH)(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CH)(C[6,6]C[3x6]O)(H)	H(C[6,6]C[3x6]2C)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(CCH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CH)(C[6,6]C[3x6]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]2C)	107.0460	0.000	1	107.0460	0.000	1	107.5715	0.552	2	107.3561	1.072	88	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHO)(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]2C)	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHO)(H){2|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]2C)	108.0970	0.000	1	108.0970	0.000	1	107.5715	0.552	2	107.3561	1.072	88	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]2)(C[3x6]C[6,6]2H)(NC[6a]H)(H)	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	H(C[6,6]C[3x6]2N)	C[6,6](C[3x6]C[3x6]C[6]2)(C[3x6]C[6,6]2H)(NC[6a]H)(H){1|O<1>,4|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2N)	104.0925	0.343	2	104.0925	0.118	2	104.0925	0.118	2	107.3561	1.072	88	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:N[6]-3:H-1:	C[5,4x6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2H)(N[6]C[6]2)(H)	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]N[6]H)(C[6]C[6,6a]O)(H)	H(C[6,6]C[3x6]2N[6])	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2H)(N[6]C[6]2)(H){1|C<3>,1|O<2>,2|O<1>,4|C<4>,6|H<1>}	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]N[6]H)(C[6]C[6,6a]O)(H){1|O<2>,2|H<1>,3|C<3>,5|C<4>}	H(C[6,6]C[3x6]2N[6])	108.8490	0.000	1	108.8490	0.000	1	108.8490	0.000	1	107.3561	1.072	88	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2H)(N[6]C[6]2)(H)	C[3x6](C[6,6]C[3x6]N[6]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(H)	H(C[6,6]C[3x6]2N[6])	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2H)(N[6]C[6]2)(H){1|C<3>,1|O<2>,2|O<1>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]N[6]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[3x6]2N[6])	108.9060	0.000	1	108.9060	0.000	1	108.9060	0.000	1	107.3561	1.072	88	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6]-4:C[6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]O)(H)	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2)(H)	H(C[6,6]C[3x6]C[5,6]C[6])	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]O)(H){2|C<3>,4|H<1>,6|C<4>}	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2)(H){1|O<1>,2|O<2>,5|C<4>,8|H<1>}	H(C[6,6]C[3x6]C[5,6]C[6])	106.8185	0.191	4	106.8185	0.037	4	106.8185	0.037	4	107.3561	1.072	88	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[4,5,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(CC[6a]O)(H)	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(CC[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.3037	0.372	3	108.3037	0.138	3	108.3037	0.138	3	107.3561	1.072	88	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]CH)(CCH)(H)	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]CH)(CCH)(H){2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.8710	0.000	1	107.8710	0.000	1	107.8710	0.000	1	107.3561	1.072	88	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(CCH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(CCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.8170	0.000	1	108.8170	0.000	1	108.4765	0.232	2	107.3561	1.072	88	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(CRuH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(CRuH)(H){1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.1360	0.000	1	108.1360	0.000	1	108.4765	0.232	2	107.3561	1.072	88	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CCH)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CCH)(H){1|O<1>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<4>,2|C<2>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.0155	0.633	4	107.0155	0.401	4	107.2853	1.078	30	107.3561	1.072	88	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CN[5]O)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CN[5]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.3320	0.000	1	108.3320	0.000	1	107.2853	1.078	30	107.3561	1.072	88	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(COO)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(COO)(H){1|C<3>,1|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.3190	0.000	1	108.3190	0.000	1	107.2853	1.078	30	107.3561	1.072	88	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(COO)(H)	C[3x6](C[6,6]C[6,6]CH)2(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(COO)(H){1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)2(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.4202	0.921	16	107.4202	0.847	16	107.2853	1.078	30	107.3561	1.072	88	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCC)(H)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]O)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|C<2>}	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]O)(H){2|C<2>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	105.0340	0.000	1	105.0340	0.000	1	107.2853	1.078	30	107.3561	1.072	88	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCO)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCO)(H){1|C<3>,1|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.4540	0.000	1	108.4540	0.000	1	107.2853	1.078	30	107.3561	1.072	88	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CC[6a]O)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CC[6a]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.4140	0.656	2	108.4140	0.431	2	107.2853	1.078	30	107.3561	1.072	88	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(COO)(H)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(COO)(H){1|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	106.1563	0.480	3	106.1563	0.231	3	107.2853	1.078	30	107.3561	1.072	88	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]HH)(COO)(H)	C[3x6](C[6,6]C[4x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[4x6]H)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]HH)(COO)(H){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[4x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[4x6]H)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]C)	106.3370	0.000	1	106.3370	0.000	1	107.2853	1.078	30	107.3561	1.072	88	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCO)(H)	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCO)(H){1|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.4500	0.000	1	108.4500	0.000	1	108.4500	0.000	1	107.3561	1.072	88	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(C[6a]C[6a]2)(H)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,2|C<2>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6a])	106.2470	0.000	1	106.2470	0.000	1	107.1018	0.642	4	107.3561	1.072	88	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]O)(H)	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H){1|Br<1>,1|H<1>,1|O<1>,3|C<4>,4|C<3>}	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]O)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6a])	107.1160	0.000	1	107.1160	0.000	1	107.1018	0.642	4	107.3561	1.072	88	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H){3|C<3>,3|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6a])	108.1710	0.000	1	108.1710	0.000	1	107.1018	0.642	4	107.3561	1.072	88	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(C[6a]C[6a]2)(H)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6a])	106.8730	0.000	1	106.8730	0.000	1	107.1018	0.642	4	107.3561	1.072	88	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(NOO)(H)	C[3x6](C[6,6]C[6,6]HN)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]N)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(NOO)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]HN)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]C)(H){1|Br<1>,1|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[3x6]C[6,6]N)	108.6125	0.230	2	108.6125	0.053	2	108.6125	0.053	2	107.3561	1.072	88	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H)	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]N[6,6]HH)(N[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]N[5])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]N[6,6]HH)(N[6,6]C[6,6]C)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]N[5])	109.2060	0.000	1	109.2060	0.000	1	109.2060	0.000	1	107.3561	1.072	88	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[4x6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[6]O[6]HH)(C[6]C[6]H)(H)	C[3x6](C[4x6]C[3x6]C[6,6]Cl)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[4x6]C[6]H)(C[6]O[6]HH)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[3x6](C[4x6]C[3x6]C[6,6]Cl)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|Cl<1>,1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	109.6060	0.000	1	109.6060	0.000	1	109.6060	0.000	1	107.3561	1.072	88	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[3x6](C[6,6]C[6]2H)2(C[6,6]C[6]2)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){2|C<3>,2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6]2H)2(C[6,6]C[6]2)(H){2|O<1>,2|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.6320	0.000	1	107.6320	0.000	1	107.1620	0.464	3	107.3561	1.072	88	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HO)(C[6]C[6]C)(H)	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HO)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.9270	0.772	2	106.9270	0.596	2	107.1620	0.464	3	107.3561	1.072	88	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6]HH)(N[6]C[6]C)(H)	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	H(C[6,6]C[3x6]C[6]N[6])	107.8410	0.000	1	107.8410	0.000	1	107.5484	0.138	10	107.3561	1.072	88	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6]N[6])	107.2040	0.000	1	107.5159	0.143	9	107.5484	0.138	10	107.3561	1.072	88	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	H(C[6,6]C[3x6]C[6]N[6])	107.5549	0.384	8	107.5159	0.143	9	107.5484	0.138	10	107.3561	1.072	88	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6]N[6])	107.0237	0.470	9	107.0248	0.197	10	107.0248	0.197	10	107.3561	1.072	88	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){2|C<4>,2|O<2>,3|C<3>,5|H<1>}	H(C[6,6]C[3x6]C[6]N[6])	107.0350	0.000	1	107.0248	0.197	10	107.0248	0.197	10	107.3561	1.072	88	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[3x6]C[6,6]H)(CC[6a]O)(H)	C[3x6](C[3x6]C[5,6]N[3x6]H)(C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]N)(H)	H(C[6,6]C[5,6,6]C[3x6]C)	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[3x6]C[6,6]H)(CC[6a]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>,3|N<3>}	C[3x6](C[3x6]C[5,6]N[3x6]H)(C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]N)(H){1|H<1>,2|C<4>,5|C<3>}	H(C[6,6]C[5,6,6]C[3x6]C)	107.2540	0.000	1	107.2540	0.000	1	107.2540	0.000	1	107.3561	1.072	88	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(COO)(H)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[5,6,6]C[3x6]C)	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(COO)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[5,6,6]C[3x6]C)	107.4480	0.000	1	106.4133	0.831	3	106.3842	0.557	4	107.3561	1.072	88	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(COO)(H)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[5,6,6]C[3x6]C)	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(COO)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[5,6,6]C[3x6]C)	105.8960	0.238	2	106.4133	0.831	3	106.3842	0.557	4	107.3561	1.072	88	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(COO)(H)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[5,6,6]C[3x6]C)	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(COO)(H){1|O<1>,2|N<3>,3|C<3>,4|H<1>}	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6,6]C[5,6,6]C[3x6]C)	106.2970	0.000	1	106.2970	0.000	1	106.3842	0.557	4	107.3561	1.072	88	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C[6a]-3:H-1:	C[6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(H)	C[3x6](C[6,6]C[5,6,6]C[6a]H)(C[3x6]C[5,3x6]O[6]H)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[5,6,6]C[3x6]C[6a])	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|O<2>,3|C<3>,5|H<1>}	C[3x6](C[6,6]C[5,6,6]C[6a]H)(C[3x6]C[5,3x6]O[6]H)(C[6,6]C[6,6]H)(H){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	H(C[6,6]C[5,6,6]C[3x6]C[6a])	107.0560	0.000	1	107.0560	0.000	1	107.0560	0.000	1	107.3561	1.072	88	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[3x6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(COO)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(COO)(H){1|H<1>,2|O<2>,5|C<3>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.8860	0.000	1	107.8860	0.000	1	108.2185	0.221	2	107.3561	1.072	88	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[3x6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]CH)(C[3x6]C[6,6]2H)(CC[6a]O)(H)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]O)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[6,6]C[5,3x6]CH)(C[3x6]C[6,6]2H)(CC[6a]O)(H){1|O<1>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]O)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.5510	0.000	1	108.5510	0.000	1	108.2185	0.221	2	107.3561	1.072	88	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:2:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CCO)(H)	C[3x6](C[5,6,6]C[5,4x6]O[5]C)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(OC)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CCO)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[3x6](C[5,6,6]C[5,4x6]O[5]C)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(OC){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.8420	0.000	1	107.8420	0.000	1	108.3300	0.629	3	108.0277	0.785	4	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:2:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(COO)(H)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(OC)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(COO)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(OC){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.5740	0.949	2	108.5740	0.900	2	108.3300	0.629	3	108.0277	0.785	4	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:2:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[3x6](C[6,6]C[6]2H)2(C[6,6]N[6]2)(CN)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<2>,2|C<4>,2|N<3>,3|H<1>}	C[3x6](C[6,6]C[6]2H)2(C[6,6]N[6]2)(CN){1|C<2>,1|C<4>,4|C<3>,5|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.1210	0.000	1	107.1210	0.000	1	107.1210	0.000	1	108.0277	0.785	4	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:3:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(CC[6a]O)	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){1|C<4>,2|C<2>,3|C<3>,4|H<1>}	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(CC[6a]O){1|C<4>,2|C<2>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6a])	106.7760	0.000	1	106.7760	0.000	1	106.8670	0.017	2	106.8670	0.017	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:3:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HN)(C[6a]C[6a]2)(H)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(COO)	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HN)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(COO){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6a])	106.9580	0.000	1	106.9580	0.000	1	106.8670	0.017	2	106.8670	0.017	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:4:	4:	C[3x6]-4:C[5,6,6]-4:C-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[5,3x6]C[5]H)(COO)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(CBrHH)	H(C[6,6]C[5,6,6]C[3x6]C)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[5,3x6]C[5]H)(COO)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(CBrHH){4|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[3x6]C)	108.6390	0.000	1	108.6390	0.000	1	108.6390	0.000	1	107.0848	2.763	5	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:4:	4:	C[3x6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6]-4:C[3x6]-4:C[6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]2)(C[5,6]C[6,6]C[5]2)(C[6]C[6]O)(H)	C[3x6](C[6,6]C[5,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6]H)(C[6]O[6]HH)	H(C[6,6]C[3x6]C[5,6]C[6])	C[6,6](C[3x6]C[3x6]C[6]2)(C[5,6]C[6,6]C[5]2)(C[6]C[6]O)(H){2|C<3>,2|O<2>,5|C<4>,9|H<1>}	C[3x6](C[6,6]C[5,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6]H)(C[6]O[6]HH){1|C<3>,1|N<3>,1|O<1>,3|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[5,6]C[6])	104.2700	0.000	1	104.2700	0.000	1	104.2700	0.000	1	107.0848	2.763	5	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:4:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:N[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(COO)(H)	C[3x6](C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CF3)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(COO)(H){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CF3){2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.8400	0.000	1	107.8400	0.000	1	107.8400	0.000	1	107.0848	2.763	5	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:4:	4:	C[6,6]-4:C[3x6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2C)(CHO)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2C)(CHO)(H){1|C<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.4300	0.000	1	107.4300	0.000	1	107.3375	0.017	2	107.0848	2.763	5	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:3:4:	4:	C[6,6]-4:C[3x6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2C)(CNO)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(CH3)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2C)(CNO)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6,6]C[3x6]C[6,6]C)	107.2450	0.000	1	107.2450	0.000	1	107.3375	0.017	2	107.0848	2.763	5	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHO)(H)	C[3x6](C[6,6]C[6,6]ClH)(C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]2C)	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHO)(H){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]ClH)(C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]2C)	105.6670	0.000	1	105.6670	0.000	1	105.6670	0.000	1	107.6921	1.289	147	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5]2)(H)	C[3x6](C[6,6]C[3x6]C[5]H)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2C[5])	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5]2)(H){10|H<1>,2|C<3>,3|C<4>}	C[3x6](C[6,6]C[3x6]C[5]H)(C[6,6]C[3x6]HH)2(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]2C[5])	107.0860	0.020	2	107.0860	0.000	2	107.0860	0.000	2	107.6921	1.289	147	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6a]-3:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[3x6](C[4x6]C[6,6a]N[6,6]2)(C[6,6]C[3x6]C[6a]H)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]2C[6a])	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){2|C<4>,2|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[3x6](C[4x6]C[6,6a]N[6,6]2)(C[6,6]C[3x6]C[6a]H)(C[6]C[6]HH)(H){5|H<1>,6|C<3>}	H(C[6,6]C[3x6]2C[6a])	107.3885	0.062	2	107.3885	0.004	2	107.3885	0.004	2	107.6921	1.289	147	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[3x6](C[6,6]C[3x6]C[6a]H)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2C[6a])	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){10|H<1>,2|C<3>,2|C<4>}	C[3x6](C[6,6]C[3x6]C[6a]H)(C[6,6]C[3x6]HH)2(H){3|C<3>,5|C<4>}	H(C[6,6]C[3x6]2C[6a])	106.2825	1.299	2	106.2825	1.687	2	106.2825	1.687	2	107.6921	1.289	147	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(NCC)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H)	H(C[6,6]C[3x6]2N)	C[6,6](C[3x6]C[6,6]2H)2(NCC)(H){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2N)	108.0830	0.041	2	108.0830	0.002	2	107.7822	1.503	25	107.6921	1.289	147	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(NCH)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H)	H(C[6,6]C[3x6]2N)	C[6,6](C[3x6]C[6,6]2H)2(NCH)(H){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H){1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2N)	107.7130	0.020	2	107.4565	0.088	4	107.7822	1.503	25	107.6921	1.289	147	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(NCH)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H)	H(C[6,6]C[3x6]2N)	C[6,6](C[3x6]C[6,6]2H)2(NCH)(H){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2N)	107.2000	0.010	2	107.4565	0.088	4	107.7822	1.503	25	107.6921	1.289	147	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(NC[5]C)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H)	H(C[6,6]C[3x6]2N)	C[6,6](C[3x6]C[6,6]2H)2(NC[5]C)(H){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2N)	106.3500	1.331	7	106.3500	1.772	7	107.7822	1.503	25	107.6921	1.289	147	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(NC[6a]C)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H)	H(C[6,6]C[3x6]2N)	C[6,6](C[3x6]C[6,6]2H)2(NC[6a]C)(H){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2N)	108.7185	0.239	10	108.7185	0.057	10	107.7822	1.503	25	107.6921	1.289	147	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(NN[6]Al)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H)	H(C[6,6]C[3x6]2N)	C[6,6](C[3x6]C[6,6]2H)2(NN[6]Al)(H){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HN)(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2N)	108.4645	0.018	2	108.4645	0.000	2	107.7822	1.503	25	107.6921	1.289	147	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[5,6,6]-4:C-3:H-1:	C[4,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(COO)(H)	C[3x6](C[4,6,6]C[4,5,6,6]O[4]H)(C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[5,6,6]C[3x6]C)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(COO)(H){1|O<2>,3|C<4>,6|H<1>}	C[3x6](C[4,6,6]C[4,5,6,6]O[4]H)(C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(H){3|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[3x6]C)	108.4020	0.000	1	108.4020	0.000	1	108.4020	0.000	1	107.6921	1.289	147	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CC[6a]O)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CC[6a]O)(H){2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.2950	0.000	1	108.2950	0.000	1	107.8083	1.364	84	107.6921	1.289	147	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(COO)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(COO)(H){2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.4650	0.000	1	107.4650	0.000	1	107.8083	1.364	84	107.6921	1.289	147	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CN)(COO)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CN)(COO)(H){2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	103.6640	0.000	1	103.6640	0.000	1	107.8083	1.364	84	107.6921	1.289	147	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO)(H){2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	103.5760	0.000	1	103.5760	0.000	1	107.8083	1.364	84	107.6921	1.289	147	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H){1|Al<5>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.0440	0.419	2	107.9129	0.997	78	107.8083	1.364	84	107.6921	1.289	147	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H){1|B<4>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.7390	0.639	2	107.9129	0.997	78	107.8083	1.364	84	107.6921	1.289	147	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H){2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|N<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.2770	0.000	1	107.9129	0.997	78	107.8083	1.364	84	107.6921	1.289	147	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H){2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.9294	0.816	22	107.9129	0.997	78	107.8083	1.364	84	107.6921	1.289	147	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H){2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.9374	1.163	41	107.9129	0.997	78	107.8083	1.364	84	107.6921	1.289	147	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H){3|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.9484	0.843	10	107.9129	0.997	78	107.8083	1.364	84	107.6921	1.289	147	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(COO)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(COO)(H){2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.0900	0.000	1	107.8440	0.121	2	107.8083	1.364	84	107.6921	1.289	147	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(COO)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(COO)(H){2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.5980	0.000	1	107.8440	0.121	2	107.8083	1.364	84	107.6921	1.289	147	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCO)(H)	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]CO)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCO)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]CO)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.6750	0.000	1	107.6750	0.000	1	107.6750	0.000	1	107.6921	1.289	147	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(C[6a]C[6a]2)(H)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(C[6a]C[6a]2)(H){1|C<4>,3|C<3>,7|H<1>}	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6a])	106.6400	0.000	1	106.6400	0.000	1	106.6400	0.000	1	107.6921	1.289	147	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(NPdC)(H)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H)	H(C[6,6]C[3x6]C[6,6]N)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(NPdC)(H){2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H){1|C<4>,1|N<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]N)	108.6090	0.321	4	108.6090	0.103	4	108.6090	0.103	4	107.6921	1.289	147	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(N[6]C[6]2)(H)	C[3x6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]N[6])	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(N[6]C[6]2)(H){1|C<3>,1|O<1>,3|C<4>,7|H<1>}	C[3x6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,1|N<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]N[6])	107.9970	0.000	1	107.9970	0.000	1	107.9970	0.000	1	107.6921	1.289	147	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H){1|O<1>,1|O<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6]2)	105.2570	0.000	1	105.2570	0.000	1	106.7599	0.615	8	107.6921	1.289	147	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){3|H<1>,6|C<4>}	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H){1|C<3>,5|C<4>,8|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.5510	0.000	1	106.5510	0.000	1	106.7599	0.615	8	107.6921	1.289	147	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){5|C<4>,5|H<1>}	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H){1|O<1>,5|C<4>,8|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.7090	0.110	2	107.7090	0.012	2	106.7599	0.615	8	107.6921	1.289	147	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<3>,3|C<4>,4|H<1>}	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H){1|O<2>,2|C<3>,2|C<4>,2|O<1>,6|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.7133	0.247	4	106.7133	0.061	4	106.7599	0.615	8	107.6921	1.289	147	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|N<4>,1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.1410	0.000	1	108.1410	0.000	1	108.1410	0.000	1	107.6921	1.289	147	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[3x6](C[6,6]C[6]2H)3(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]C)(H){4|C<4>,6|H<1>}	C[3x6](C[6,6]C[6]2H)3(H){1|C<3>,1|N<2>,6|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6]2)	105.9190	0.000	1	105.9190	0.000	1	107.5996	1.489	5	107.6921	1.289	147	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[3x6](C[6,6]C[6]2H)3(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,4|C<4>,5|H<1>}	C[3x6](C[6,6]C[6]2H)3(H){2|O<1>,4|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.6220	0.000	1	107.6220	0.000	1	107.5996	1.489	5	107.6921	1.289	147	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[3x6](C[6,6]C[6]2H)3(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[6]2H)3(H){2|O<1>,3|C<4>,8|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.9155	1.371	2	108.1523	1.108	3	107.5996	1.489	5	107.6921	1.289	147	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[3x6](C[6,6]C[6]2H)3(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[6]2H)3(H){2|O<1>,4|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.6260	0.000	1	108.1523	1.108	3	107.5996	1.489	5	107.6921	1.289	147	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[3x6]C[6]N[6])	107.2580	0.000	1	107.2580	0.000	1	107.2580	0.000	1	107.6921	1.289	147	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[6]N[6])	107.2045	0.134	2	107.5820	0.846	5	107.5820	0.846	5	107.6921	1.289	147	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	H(C[6,6]C[3x6]C[6]N[6])	107.8337	1.202	3	107.5820	0.846	5	107.5820	0.846	5	107.6921	1.289	147	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[3x6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6]N[6])	107.1480	0.000	1	107.1480	0.000	1	107.1480	0.000	1	107.6921	1.289	147	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[3x6]-4:N-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(NOO)(H)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H)	H(C[6,6]C[3x6]C[6,6]N)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(NOO)(H){1|C<4>,3|C<3>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]N)	107.9850	0.000	1	107.7115	0.150	2	107.7115	0.150	2	107.6921	1.289	147	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[3x6]-4:N-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(NOO)(H)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H)	H(C[6,6]C[3x6]C[6,6]N)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(NOO)(H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]N)	107.4380	0.000	1	107.7115	0.150	2	107.7115	0.150	2	107.6921	1.289	147	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:2:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CCO)(H)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(OC)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CCO)(H){1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(OC){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.6660	0.000	1	107.6660	0.000	1	107.6660	0.000	1	107.3654	0.223	7	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.7810	0.000	1	107.7810	0.000	1	107.6770	0.022	2	107.3654	0.223	7	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]C[6]CH)(O[6]O[6])	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]C)(H){2|C<4>,3|O<2>,5|H<1>}	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]C[6]CH)(O[6]O[6]){1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6]2)	107.5730	0.000	1	107.5730	0.000	1	107.6770	0.022	2	107.3654	0.223	7	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){2|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[3x6]C[6]N[6])	107.6730	0.000	1	107.5810	0.017	2	107.5810	0.017	2	107.3654	0.223	7	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,4|H<1>}	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){2|C<4>,4|C<3>,6|H<1>}	H(C[6,6]C[3x6]C[6]N[6])	107.4890	0.000	1	107.5810	0.017	2	107.5810	0.017	2	107.3654	0.223	7	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[6]N[6])	106.7460	0.000	1	106.6880	0.007	2	106.6880	0.007	2	107.3654	0.223	7	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	H(C[6,6]C[3x6]C[6]N[6])	106.6300	0.000	1	106.6880	0.007	2	106.6880	0.007	2	107.3654	0.223	7	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[3x6](C[6,6]C[3x6]C[6a]H)(C[6,6]C[3x6]HH)2(CNO)	H(C[6,6]C[3x6]2C[6a])	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){10|H<1>,2|C<3>,2|C<4>}	C[3x6](C[6,6]C[3x6]C[6a]H)(C[6,6]C[3x6]HH)2(CNO){1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[3x6]2C[6a])	106.2620	1.380	2	106.2620	1.905	2	106.2620	1.905	2	107.9600	0.929	13	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:3:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(CNO)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(NCH)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(CNO)(H){2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(NCH){1|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.3553	0.858	3	108.3553	0.736	3	108.4324	0.384	5	107.9600	0.929	13	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:3:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(COO)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(NCH)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(COO)(H){2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(NCH){1|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.5480	0.144	2	108.5480	0.021	2	108.4324	0.384	5	107.9600	0.929	13	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:3:	4:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(NCH)(H)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(NCH)	H(C[6,6]C[3x6]C[6,6]N)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(NCH)(H){2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(NCH){1|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]N)	108.1323	0.360	6	108.1323	0.129	6	108.1323	0.129	6	107.9600	0.929	13	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]2)(C[3x6]C[6,6]2H)(NC[6a]H)(H)	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(C[6]C[6]HH)2	H(C[6,6]C[3x6]2N)	C[6,6](C[3x6]C[3x6]C[6]2)(C[3x6]C[6,6]2H)(NC[6a]H)(H){1|O<1>,4|C<4>,7|H<1>}	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(C[6]C[6]HH)2{1|C<3>,2|C<4>,9|H<1>}	H(C[6,6]C[3x6]2N)	105.7290	1.089	2	105.7290	1.186	2	105.7290	1.186	2	106.9762	2.321	8	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H)	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6,6]C[6,6]C[6]H)(CH3)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H){2|O<2>,5|C<4>,6|H<1>}	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6,6]C[6,6]C[6]H)(CH3){1|O<1>,1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	106.0375	0.146	2	106.0375	0.021	2	106.0375	0.021	2	106.9762	2.321	8	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[3x6](C[3x6]C[6]2O[6])(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[3x6](C[3x6]C[6]2O[6])(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.3270	0.000	1	108.4560	0.033	2	108.4560	0.033	2	106.9762	2.321	8	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[3x6](C[3x6]C[6]2O[6])(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[3x6](C[3x6]C[6]2O[6])(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.5850	0.000	1	108.4560	0.033	2	108.4560	0.033	2	106.9762	2.321	8	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(C[6]B[6]HH)(C[6]C[6]CH)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|B<4>,1|C<3>,2|C<4>,9|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(C[6]B[6]HH)(C[6]C[6]CH){1|P<4>,3|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.1400	0.000	1	106.1400	0.000	1	106.1400	0.000	1	106.9762	2.321	8	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[3x6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2C)(CHO)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2C)(CHO)(H){1|C<4>,3|C<3>,5|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	109.2250	0.000	1	109.2250	0.000	1	109.2250	0.000	1	106.9762	2.321	8	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	3:3:4:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){2|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]C)	107.3960	0.676	6	107.3591	0.334	8	107.6718	0.314	25	107.4820	1.156	32	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	3:3:4:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H){1|Ir<6>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){2|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]C)	107.3540	0.000	1	107.3591	0.334	8	107.6718	0.314	25	107.4820	1.156	32	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	3:3:4:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H){1|Ru<6>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){2|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]C)	107.1430	0.000	1	107.3591	0.334	8	107.6718	0.314	25	107.4820	1.156	32	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	3:3:4:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHP)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHP)(H){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){2|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]C)	107.7550	0.064	2	107.7550	0.004	2	107.6718	0.314	25	107.4820	1.156	32	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	3:3:4:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CN[5]HH)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CN[5]HH)(H){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){2|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]C)	107.7868	0.533	14	107.7868	0.284	14	107.6718	0.314	25	107.4820	1.156	32	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	3:3:4:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(CHHN)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(CHHN)(H){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.3960	0.000	1	108.3960	0.000	1	107.6718	0.314	25	107.4820	1.156	32	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	3:3:4:1:	4:	C[3x6]-4:C[6,6]-4:N-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NH3)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H)	H(C[6,6]C[3x6]C[6,6]N)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NH3)(H){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]N)	108.3948	0.120	4	108.3948	0.014	4	108.3948	0.014	4	107.4820	1.156	32	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	3:3:4:1:	4:	C[3x6]-4:C[6,6]-4:P-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(PC[6]2B)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HP)(H)	H(C[6,6]C[3x6]C[6,6]P)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(PC[6]2B)(H){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HP)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]P)	104.2840	0.000	1	104.2840	0.000	1	104.6840	0.271	3	107.4820	1.156	32	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	3:3:4:1:	4:	C[3x6]-4:C[6,6]-4:P-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HP)(PC[6a]2Rh)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HP)(H)	H(C[6,6]C[3x6]C[6,6]P)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HP)(PC[6a]2Rh)(H){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HP)(H){1|C<4>,1|P<4>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]P)	104.8840	0.549	2	104.8840	0.301	2	104.6840	0.271	3	107.4820	1.156	32	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	3:4:2:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]C[6a]H)(CH3)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]C[6a]H)(CH3)(H){1|C<4>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]C)	108.3260	0.000	1	108.3260	0.000	1	108.3260	0.000	1	108.3260	0.000	1	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	3:4:2:4:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-3:C[6,6]-4:N[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[5,3x6]HH)(CHHO)(H)	C[3x6](C[6,6]N[5,6,6]O)(C[6,6]C[6,6]CH)(N[6,6]C[6,6])(CC[6a]HH)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[5,3x6]HH)(CHHO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[3x6](C[6,6]N[5,6,6]O)(C[6,6]C[6,6]CH)(N[6,6]C[6,6])(CC[6a]HH){1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	105.5800	0.000	1	105.5800	0.000	1	105.5800	0.000	1	105.5800	0.000	1	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	3:4:3:1:	4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	N[4x6]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHHO)(H)	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]O)(H)	H(C[6,6]C[3x6]2C)	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHHO)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]O)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[3x6]2C)	107.7690	0.000	1	107.7690	0.000	1	107.7690	0.000	1	108.1610	0.146	3	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	3:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	N[3x6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]N[3x6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]N[3x6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|H<1>,5|C<4>}	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H){1|N<3>,1|O<1>,5|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	108.1820	0.000	1	108.3570	0.061	2	108.3570	0.061	2	108.1610	0.146	3	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	3:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	N[3x6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]N[3x6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]N[3x6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){4|H<1>,6|C<4>}	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H){1|C<3>,1|N<3>,5|C<4>,8|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	108.5320	0.000	1	108.3570	0.061	2	108.3570	0.061	2	108.1610	0.146	3	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	3:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	N[4x6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHHO)(H)	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HO)(H)	H(C[6,6]C[3x6]2C)	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHHO)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HO)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[3x6]2C)	108.7060	0.000	1	108.7060	0.000	1	108.7060	0.000	1	107.8384	0.600	30	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	3:4:4:1:	4:	C[3x6]-4:C[5,6,6]-4:C-4:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]N[5]H)(CCCH)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]HH)(H)	H(C[6,6]C[5,6,6]C[3x6]C)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]N[5]H)(CCCH)(H){2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]HH)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[3x6]C)	107.0640	0.000	1	107.0640	0.000	1	107.0640	0.000	1	107.8384	0.600	30	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CC[6a]HH)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CC[6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	106.8160	0.000	1	106.8160	0.000	1	107.4985	0.932	2	107.8384	0.600	30	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CH3)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CH3)(H){1|C<4>,1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.1810	0.000	1	108.1810	0.000	1	107.4985	0.932	2	107.8384	0.600	30	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	3:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[6,6]C[3x6]C[6]2)	108.5613	0.634	3	108.5613	0.402	3	107.8895	0.961	6	107.8384	0.600	30	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	3:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]N[5a,6]CC)(C[6]C[6]HH)(H)	C[3x6](C[6,6,6a]C[5a,6,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]N[5a,6]CC)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[5a,6,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6]2)	108.1390	0.000	1	108.1390	0.000	1	107.8895	0.961	6	107.8384	0.600	30	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	3:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]N[5a,6]CC)(C[6]C[6]HH)(H)	C[3x6](C[6,6,6a]C[5a,6,6a]C[6,6a])(C[6,6]C[6]2H)2(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]N[5a,6]CC)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[5a,6,6a]C[6,6a])(C[6,6]C[6]2H)2(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>,5|C<4>}	H(C[6,6]C[3x6]C[6]2)	106.7570	0.132	2	106.7570	0.017	2	107.8895	0.961	6	107.8384	0.600	30	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	3:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HN)(C[6]O[6]HH)(H)	C[3x6](C[6,6]C[5,6,6]C)(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HN)(C[6]O[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[5,6,6]C)(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.2710	0.219	2	107.2710	0.048	2	107.0197	0.214	3	107.8384	0.600	30	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	3:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)	C[3x6](C[6,6]C[6]N[6])(C[6,6]C[6]2H)2(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6a]C[6]H)(C[6]C[6]CH)(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6]C[6]N[6])(C[6,6]C[6]2H)2(H){2|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.5170	0.000	1	106.5170	0.000	1	107.0197	0.214	3	107.8384	0.600	30	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	3:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	N[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6]HH)2(H)	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6]2H)2(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6]2H)2(H){1|O<1>,2|N<3>,3|C<4>,8|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.9260	0.000	1	107.6015	0.211	2	107.5730	0.108	3	107.8384	0.600	30	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	3:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	N[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6]HH)2(H)	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6]2H)2(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6]HH)2(H){4|C<4>,5|H<1>}	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6]2H)2(H){1|C<3>,2|N<3>,3|C<4>,9|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.2770	0.000	1	107.6015	0.211	2	107.5730	0.108	3	107.8384	0.600	30	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	3:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	N[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6]2H)2(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,6|C<4>}	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6]2H)2(H){1|C<3>,2|N<3>,3|C<4>,9|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.5160	0.000	1	107.5160	0.000	1	107.5730	0.108	3	107.8384	0.600	30	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	3:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[3x6](N[6,6]C[5,6]C[6,6])(C[6,6]C[6]2H)2(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[3x6](N[6,6]C[5,6]C[6,6])(C[6,6]C[6]2H)2(H){1|C<3>,1|N<3>,3|C<4>,9|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.8850	0.000	1	106.8850	0.000	1	108.0906	0.485	14	107.8384	0.600	30	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	3:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(H)	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H){1|N<3>,1|O<1>,3|C<4>,9|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.5910	0.000	1	107.6678	0.059	6	108.0906	0.485	14	107.8384	0.600	30	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	3:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(H)	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(H){1|C<3>,3|H<1>,4|C<4>}	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H){10|H<1>,1|C<3>,1|N<3>,2|C<4>}	H(C[6,6]C[3x6]C[6]2)	107.8430	0.000	1	107.6678	0.059	6	108.0906	0.485	14	107.8384	0.600	30	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	3:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(H)	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,3|H<1>}	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H){10|H<1>,1|C<3>,1|N<3>,2|C<4>}	H(C[6,6]C[3x6]C[6]2)	107.7863	0.077	3	107.6678	0.059	6	108.0906	0.485	14	107.8384	0.600	30	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	3:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(H)	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(H){4|C<4>,5|H<1>}	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H){11|H<1>,1|N<3>,3|C<4>}	H(C[6,6]C[3x6]C[6]2)	107.2140	0.000	1	107.6678	0.059	6	108.0906	0.485	14	107.8384	0.600	30	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	3:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[3x6](N[6,6]C[5,6]C[6,6])(C[6,6]C[6]2H)2(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	C[3x6](N[6,6]C[5,6]C[6,6])(C[6,6]C[6]2H)2(H){1|C<3>,1|N<3>,3|C<4>,9|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.5840	0.000	1	107.5840	0.000	1	108.0906	0.485	14	107.8384	0.600	30	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	3:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H){10|H<1>,1|C<3>,1|N<3>,2|C<4>}	H(C[6,6]C[3x6]C[6]2)	108.8095	0.180	4	108.7988	0.044	6	108.0906	0.485	14	107.8384	0.600	30	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	3:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H){1|N<3>,1|O<1>,3|C<4>,9|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.5310	0.000	1	108.7988	0.044	6	108.0906	0.485	14	107.8384	0.600	30	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	3:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){3|H<1>,5|C<4>}	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H){11|H<1>,1|N<3>,3|C<4>}	H(C[6,6]C[3x6]C[6]2)	109.0240	0.000	1	108.7988	0.044	6	108.0906	0.485	14	107.8384	0.600	30	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	3:4:4:2:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6,6]-4:C[6]-4:O[6]-2:	C[6,6]-4:	C[6,6](C[3x6]N[6,6]C[6]O[6])(C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(H)	C[3x6](N[6,6]C[6,6a]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]N[6,6]C[6]O[6])(C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(H){3|C<4>,4|C<3>,4|H<1>}	C[3x6](N[6,6]C[6,6a]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6]){2|C<4>,4|C<3>,7|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.7290	0.089	2	107.7290	0.008	2	107.7290	0.008	2	107.7290	0.008	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	3:4:4:3:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|O<2>,3|C<3>,5|H<1>}	H(C[6,6]C[3x6]C[6]2)	109.0580	0.000	1	108.2100	0.901	3	108.2100	0.901	3	108.2100	0.901	3	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	3:4:4:3:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|O<2>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.3870	0.000	1	108.2100	0.901	3	108.2100	0.901	3	108.2100	0.901	3	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	3:4:4:3:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<4>,3|C<3>,3|O<2>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.1850	0.000	1	108.2100	0.901	3	108.2100	0.901	3	108.2100	0.901	3	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:2:2:4:	4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]O[6,6]2C)(CH3)(H)	C[3x6](C[6,6]C[3x6]CH)(O[6,6]C[3x6])2(CCHH)	H(C[6,6]C[3x6]2C)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]O[6,6]2C)(CH3)(H){1|H<1>,3|C<4>}	C[3x6](C[6,6]C[3x6]CH)(O[6,6]C[3x6])2(CCHH){1|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[3x6]2C)	108.3010	0.000	1	108.3010	0.000	1	107.7525	0.602	2	107.7525	0.602	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:2:2:4:	4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]O[6,6]2C)(CH3)(H)	C[3x6](C[6,6]C[3x6]CH)(O[6,6]C[3x6])2(CCHH)	H(C[6,6]C[3x6]2C)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]O[6,6]2C)(CH3)(H){1|H<1>,3|C<4>}	C[3x6](C[6,6]C[3x6]CH)(O[6,6]C[3x6])2(CCHH){1|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[3x6]2C)	107.2040	0.000	1	107.2040	0.000	1	107.7525	0.602	2	107.7525	0.602	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:2:4:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:O[6,6]-2:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,5,3x6]HH)(CH3)(H)	C[3x6](C[6,6]C[5,6,6]HO)(O[6,6]C[5,5,6,6])(C[6,6]C[6,6]CH)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,5,3x6]HH)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C[3x6](C[6,6]C[5,6,6]HO)(O[6,6]C[5,5,6,6])(C[6,6]C[6,6]CH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.6280	0.313	2	108.6280	0.098	2	108.6280	0.098	2	108.6280	0.098	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:2:4:2:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6,6]-2:C[6]-4:O[6]-2:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]C[6]O[6])(C[6]C[6]HH)2(H)	C[3x6](C[6,6]C[6]2H)(O[6,6]C[3x6])(C[6]C[6]HH)(O[6]O[6])	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]O[6,6]C[6]O[6])(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[6]2H)(O[6,6]C[3x6])(C[6]C[6]HH)(O[6]O[6]){4|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.2220	0.000	1	106.2220	0.000	1	106.2220	0.000	1	106.2220	0.000	1	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:2:4:4:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:O[6,6]-2:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[5,5,3x6]HH)(CH3)(H)	C[3x6](C[6,6]C[5,6,6]HO)(O[6,6]C[5,5,6,6])(C[6,6]C[6,6]CH)(CH3)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[5,5,3x6]HH)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C[3x6](C[6,6]C[5,6,6]HO)(O[6,6]C[5,5,6,6])(C[6,6]C[6,6]CH)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.8630	0.000	1	108.8630	0.000	1	108.8630	0.000	1	108.8630	0.000	1	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:3:2:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CO)(H)	C[3x6](C[6,6]C[6,6]2H)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H)	H(C[6,6]C[3x6]C[6,6]2)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CO)(H){2|C<3>,2|C<4>,2|H<1>,4|O<2>}	C[3x6](C[6,6]C[6,6]2H)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H){1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]2)	105.7465	0.245	2	105.7465	0.060	2	105.7465	0.060	2	105.7465	0.060	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:3:3:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CHHO)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CHHO)(H){1|C<4>,2|C<3>,2|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(H){2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.7290	0.000	1	108.7290	0.000	1	108.7290	0.000	1	107.9507	0.535	3	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(CCCH)(H)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[5,6,6]C[3x6]C)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(CCCH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6,6]C[5,6,6]C[3x6]C)	107.8450	0.000	1	107.8450	0.000	1	107.5615	0.161	2	107.9507	0.535	3	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(CCCH)(H)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]N)(C[6,6]N[6,6]O)(H)	H(C[6,6]C[5,6,6]C[3x6]C)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(CCCH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|N<3>}	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]N)(C[6,6]N[6,6]O)(H){1|C<2>,2|C<4>,2|H<1>}	H(C[6,6]C[5,6,6]C[3x6]C)	107.2780	0.000	1	107.2780	0.000	1	107.5615	0.161	2	107.9507	0.535	3	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:3:3:2:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6,6]-3:O[6]-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6,6])	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6,6]){2|C<4>,2|O<1>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]C[6])	107.5640	0.000	1	107.5640	0.000	1	107.5640	0.000	1	107.5640	0.000	1	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:3:3:4:	4:	C[3x6]-4:C[3x6]-4:C[3]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(C[3]C[3]O[3]H)(H)	C[3x6](C[6,6]C[3x6]C[3]H)(C[6,6]C[3x6]O)2(CCHH)	H(C[6,6]C[3x6]2C[3])	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(C[3]C[3]O[3]H)(H){2|H<1>,2|O<1>,6|C<4>}	C[3x6](C[6,6]C[3x6]C[3]H)(C[6,6]C[3x6]O)2(CCHH){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]2C[3])	107.8780	0.000	1	107.8780	0.000	1	107.8780	0.000	1	106.5940	0.996	4	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:3:3:4:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CCHO)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CCHH)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CCHO)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CCHH){2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	106.2410	0.000	1	106.2410	0.000	1	106.2410	0.000	1	106.5940	0.996	4	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:3:3:4:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:N[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[3x6](C[6,6]C[6]2H)(C[6,6]C[6]2)(N[6,6]C[6]2)(CCHH)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6]2H)(C[6,6]C[6]2)(N[6,6]C[6]2)(CCHH){1|C<3>,1|O<2>,2|C<4>,9|H<1>}	H(C[6,6]C[3x6]C[6]2)	105.5030	0.000	1	105.5030	0.000	1	105.5030	0.000	1	106.5940	0.996	4	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:3:3:4:	4:	C[5,6,6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(CCCH)(H)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(CH3)	H(C[6,6]C[5,6,6]C[3x6]C)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(CCCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6,6]C[5,6,6]C[3x6]C)	106.7540	0.000	1	106.7540	0.000	1	106.7540	0.000	1	106.5940	0.996	4	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:3:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[3x6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]N[6]H)(C[6]N[6]HH)(H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[3x6]C[6,6]2N)(H)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]N[6]H)(C[6]N[6]HH)(H){1|N<2>,1|N<3>,2|C<3>,5|C<4>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[3x6]C[6,6]2N)(H){1|C<3>,1|O<1>,3|C<4>,3|N<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	108.6120	0.000	1	108.6120	0.000	1	108.6120	0.000	1	108.6120	0.000	1	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:3:4:4:	4:	C[4x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[3x6]-3:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[3x6]C[6]2)(CH3)(H)	C[3x6](C[6,6]C[4x6]CH)(C[3x6]C[6,6]2)(C[6]C[6,6]HO)(C[6]O[6]HO)	H(C[6,6]C[3x6]C[4x6]C)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[3x6]C[6]2)(CH3)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>,5|O<2>}	C[3x6](C[6,6]C[4x6]CH)(C[3x6]C[6,6]2)(C[6]C[6,6]HO)(C[6]O[6]HO){1|H<1>,3|C<4>,4|C<3>}	H(C[6,6]C[3x6]C[4x6]C)	107.6490	0.000	1	107.6490	0.000	1	107.6490	0.000	1	107.6490	0.000	1	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]O[6])(C[3x6]C[6,6]O[6,6]H)(CH3)(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H)	H(C[6,6]C[3x6]2C)	C[6,6](C[3x6]C[3x6]C[6]O[6])(C[3x6]C[6,6]O[6,6]H)(CH3)(H){1|H<1>,3|C<3>,4|C<4>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H){1|C<3>,1|C<4>,1|O<2>,2|O<1>}	H(C[6,6]C[3x6]2C)	107.4720	0.000	1	107.4720	0.000	1	107.4202	0.378	4	108.1474	0.462	27	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]O[6,6]H)(CC[6]HH)(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2C)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]O[6,6]H)(CC[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]2C)	106.9360	0.000	1	106.9360	0.000	1	107.4202	0.378	4	108.1474	0.462	27	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[6,6]O[6,6]O)(CH3)(H)	C[3x6](C[6,6]C[3x6]CH)2(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2C)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[6,6]O[6,6]O)(CH3)(H){2|H<1>,4|C<4>}	C[3x6](C[6,6]C[3x6]CH)2(O[6,6]C[3x6])(H){3|C<4>,3|O<2>}	H(C[6,6]C[3x6]2C)	107.0030	0.000	1	107.0030	0.000	1	107.4202	0.378	4	108.1474	0.462	27	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]O[6,6]2C)(CH3)(H)	C[3x6](C[6,6]C[3x6]CH)2(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2C)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]O[6,6]2C)(CH3)(H){1|H<1>,3|C<4>}	C[3x6](C[6,6]C[3x6]CH)2(O[6,6]C[3x6])(H){3|C<4>,3|O<2>}	H(C[6,6]C[3x6]2C)	108.2700	0.000	1	108.2700	0.000	1	107.4202	0.378	4	108.1474	0.462	27	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:N-4:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCCH)(H)	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2N)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCCH)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]2N)	108.3660	0.000	1	108.3660	0.000	1	108.4124	0.386	18	108.1474	0.462	27	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:N-4:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCCH)(H)	C[3x6](C[6,6]C[3x6]HN)2(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2N)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCCH)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[3x6]HN)2(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]2N)	108.2920	0.000	1	108.2920	0.000	1	108.4124	0.386	18	108.1474	0.462	27	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:N-4:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NH3)(H)	C[3x6](C[6,6]C[3x6]HN)2(O[6,6]Ge[6x6])(H)	H(C[6,6]C[3x6]2N)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NH3)(H){1|Ge<6>,1|C<4>,2|H<1>,2|N<4>}	C[3x6](C[6,6]C[3x6]HN)2(O[6,6]Ge[6x6])(H){1|C<4>,2|H<1>,5|O<2>}	H(C[6,6]C[3x6]2N)	108.7257	0.441	12	108.7257	0.194	12	108.4124	0.386	18	108.1474	0.462	27	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:N-4:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NZnCH)(H)	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2N)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NZnCH)(H){1|N<4>,1|O<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]2N)	107.5155	0.097	2	107.5155	0.009	2	108.4124	0.386	18	108.1474	0.462	27	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:2:1:	4:	C[3x6]-4:C[3x6]-4:N-4:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NZnCH)(H)	C[3x6](C[6,6]C[3x6]HN)2(O[6,6]C[3x6])(H)	H(C[6,6]C[3x6]2N)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NZnCH)(H){1|N<4>,1|O<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[3x6]HN)2(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]2N)	107.5135	0.053	2	107.5135	0.003	2	108.4124	0.386	18	108.1474	0.462	27	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]HH)(CH3)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HO)(O[6,6]C[5,6,6])(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HO)(O[6,6]C[5,6,6])(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.7485	0.416	2	107.7485	0.173	2	107.7485	0.173	2	108.1474	0.462	27	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[3x6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]O[6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[3x6]C[6]3)(O[6]C[6])(H)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[3x6]O[6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){4|H<1>,6|C<4>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[3x6]C[6]3)(O[6]C[6])(H){10|H<1>,1|N<3>,1|O<2>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]C[6])	107.9030	0.040	2	107.9030	0.002	2	107.9030	0.002	2	108.1474	0.462	27	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:S-4:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(SC[6a]OO)(H)	C[3x6](C[6,6]C[6,6]HS)(C[6,6]O[6,6]HO)(O[6,6]C[6,6])(H)	H(C[6,6]C[3x6]C[6,6]S)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(SC[6a]OO)(H){1|C<4>,2|H<1>,2|O<2>}	C[3x6](C[6,6]C[6,6]HS)(C[6,6]O[6,6]HO)(O[6,6]C[6,6])(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]S)	107.5730	0.000	1	107.5730	0.000	1	107.5730	0.000	1	108.1474	0.462	27	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:2:2:	4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[6,6]O[6,6]O)(CH3)(H)	C[3x6](C[6,6]C[3x6]CH)2(O[6,6]C[3x6])(OH)	H(C[6,6]C[3x6]2C)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[6,6]O[6,6]O)(CH3)(H){2|H<1>,4|C<4>}	C[3x6](C[6,6]C[3x6]CH)2(O[6,6]C[3x6])(OH){1|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[3x6]2C)	107.0030	0.000	1	107.0030	0.000	1	106.7698	0.168	4	107.3561	0.331	20	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:2:2:	4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[3x6]C[6]2)(CH3)(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(OH)	H(C[6,6]C[3x6]2C)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[3x6]C[6]2)(CH3)(H){1|C<3>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(OH){3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2C)	106.4460	0.260	2	106.4460	0.068	2	106.7698	0.168	4	107.3561	0.331	20	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:2:2:	4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]O[6,6]2C)(CH3)(H)	C[3x6](C[6,6]C[3x6]CH)2(O[6,6]C[3x6])(OH)	H(C[6,6]C[3x6]2C)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]O[6,6]2C)(CH3)(H){1|H<1>,3|C<4>}	C[3x6](C[6,6]C[3x6]CH)2(O[6,6]C[3x6])(OH){1|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[3x6]2C)	107.1840	0.000	1	107.1840	0.000	1	106.7698	0.168	4	107.3561	0.331	20	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:2:2:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O[6]-2:O[6]-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6]2H)2(O[6]C[6,6a])2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[6,6]C[6]2H)2(O[6]C[6,6a])2{1|C<4>,4|C<3>,8|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.5026	0.521	16	107.5026	0.271	16	107.5026	0.271	16	107.3561	0.331	20	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:2:3:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[3x6]CH)(CCHH)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(C[6a]C[6a]2)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[3x6]CH)(CCHH)(H){1|C<4>,3|C<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(C[6a]C[6a]2){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]C)	107.1230	0.000	1	107.1230	0.000	1	107.1230	0.000	1	107.1230	0.000	1	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:2:4:	4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]O[6,6]H)(CC[6]HH)(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CCHH)	H(C[6,6]C[3x6]2C)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]O[6,6]H)(CC[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CCHH){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6,6]C[3x6]2C)	107.0170	0.000	1	107.0170	0.000	1	107.0170	0.000	1	107.8630	0.480	4	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:2:4:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6])(CCCH)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6])(CCCH){1|C<3>,1|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.8640	0.000	1	107.8640	0.000	1	107.8640	0.000	1	107.8630	0.480	4	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:2:4:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[4x6]HH)(CH3)(H)	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(CH3)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[4x6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(CH3){1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.8570	0.000	1	107.8570	0.000	1	107.8570	0.000	1	107.8630	0.480	4	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:2:4:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[4x6]-4:C[6,6]-4:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]O[6]C)(C[6]C[6]HH)2(H)	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[6]2H)(O[6]C[6])(CCHH)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[4x6]O[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[6]2H)(O[6]C[6])(CCHH){1|O<1>,2|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.7140	0.000	1	108.7140	0.000	1	108.7140	0.000	1	107.8630	0.480	4	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[3,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3,6]C[3,6]O[3]H)(C[6,6]N[6,6]C[6]H)(H)	C[3x6](C[6,6]C[3,6]C[6,6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	H(C[6,6]C[3,6]C[3x6]C[6,6])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3,6]C[3,6]O[3]H)(C[6,6]N[6,6]C[6]H)(H){1|C<3>,3|H<1>,6|C<4>}	C[3x6](C[6,6]C[3,6]C[6,6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){1|C<2>,1|N<3>,1|O<2>,3|C<4>,9|H<1>}	H(C[6,6]C[3,6]C[3x6]C[6,6])	108.0340	0.000	1	108.0340	0.000	1	108.0340	0.000	1	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[3,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3,6]C[3,6]O[3]H)(C[6]N[6,6]HH)(H)	C[3x6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H)	H(C[6,6]C[3,6]C[3x6]C[6])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3,6]C[3,6]O[3]H)(C[6]N[6,6]HH)(H){1|C<3>,1|H<1>,5|C<4>}	C[3x6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H){1|C<2>,1|N<3>,1|O<2>,3|C<4>,9|H<1>}	H(C[6,6]C[3,6]C[3x6]C[6])	108.2820	0.000	1	108.2820	0.000	1	108.2820	0.000	1	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHHO)(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]2C)	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHHO)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H){1|N<3>,2|C<3>,4|H<1>}	H(C[6,6]C[3x6]2C)	107.7230	0.000	1	108.2060	0.467	2	108.2060	0.467	2	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHHO)(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]2C)	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHHO)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6,6]C[3x6]2C)	108.6890	0.000	1	108.2060	0.467	2	108.2060	0.467	2	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2H)(H)	C[3x6](C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(H)	H(C[6,6]C[3x6]2C[6,6])	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2H)(H){1|O<1>,6|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(H){4|H<1>,5|C<4>}	H(C[6,6]C[3x6]2C[6,6])	107.1970	0.000	1	107.1970	0.000	1	107.1970	0.000	1	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]O[5]H)(CH3)(H)	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(H)	H(C[6,6]C[5,6,6]C[3x6]C)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]O[5]H)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[3x6]C)	108.5860	0.000	1	108.5860	0.000	1	108.5860	0.000	1	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5]C[5,6a]N[5]C)(C[6,6]C[3x6]CH)(H)	C[3x6](C[5,6,6]N[5,6,6]C[5,6a]C)(C[6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]C[5])	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5]C[5,6a]N[5]C)(C[6,6]C[3x6]CH)(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[3x6](C[5,6,6]N[5,6,6]C[5,6a]C)(C[6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|N<3>,2|C<4>,2|H<1>,5|C<3>}	H(C[6,6]C[3x6]C[6,6]C[5])	104.6750	0.132	2	104.6750	0.017	2	104.6750	0.017	2	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(CRuCH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(CRuCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	109.1010	1.198	2	109.1010	1.435	2	108.6808	0.758	4	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CCCH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CCCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.0030	0.000	1	108.0030	0.000	1	108.6808	0.758	4	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CH3)(H)	C[3x6](C[5,6,6]N[5,6,6]C[6a]O[5])(C[6,6]C[6,6]CH)(C[6,6]N[6,6]O)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	C[3x6](C[5,6,6]N[5,6,6]C[6a]O[5])(C[6,6]C[6,6]CH)(C[6,6]N[6,6]O)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[6,6]C[3x6]C[6,6]C)	108.5180	0.000	1	108.5180	0.000	1	108.6808	0.758	4	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CCHH)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CCHH)(H){1|C<3>,1|N<3>,4|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]C)	107.4720	0.000	1	107.4720	0.000	1	107.7270	0.133	8	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)(H)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(H){2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.3310	0.000	1	108.3310	0.000	1	107.7270	0.133	8	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CHHO)(H)	C[3x6](C[6,6]C[6,6]CH)2(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CHHO)(H){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)2(C[6,6]C[6,6]H)(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.8265	0.178	4	107.8265	0.032	4	107.7270	0.133	8	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CH3)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CH3)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(H){2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.5660	0.000	1	107.5660	0.000	1	107.7270	0.133	8	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(CHHO)(H)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(CHHO)(H){1|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.1410	0.000	1	107.1410	0.000	1	107.7270	0.133	8	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){1|C<3>,1|H<1>,4|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	105.5060	0.000	1	107.5113	1.798	4	107.5863	1.025	9	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){1|H<1>,2|C<3>,3|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.2475	0.064	2	107.5113	1.798	4	107.5863	1.025	9	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){1|H<1>,2|C<3>,3|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.0440	0.000	1	107.5113	1.798	4	107.5863	1.025	9	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.5793	0.945	4	107.6464	0.692	5	107.5863	1.025	9	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.9150	0.000	1	107.6464	0.692	5	107.5863	1.025	9	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	C[3x6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H){1|C<2>,1|N<3>,1|O<2>,3|C<4>,9|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	106.6380	0.000	1	106.6380	0.000	1	107.2765	0.143	12	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){10|H<1>,1|C<3>,1|N<3>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]C[6])	107.2195	0.733	2	107.3345	0.113	11	107.2765	0.143	12	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){10|H<1>,1|N<3>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]C[6])	107.0750	0.091	2	107.3345	0.113	11	107.2765	0.143	12	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){11|H<1>,1|N<3>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]C[6])	107.4383	0.063	3	107.3345	0.113	11	107.2765	0.143	12	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){11|H<1>,1|N<3>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]C[6])	107.0070	0.000	1	107.3345	0.113	11	107.2765	0.143	12	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|H<1>,5|C<4>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){10|H<1>,1|C<3>,1|N<3>,2|C<4>}	H(C[6,6]C[3x6]C[6,6]C[6])	107.6760	0.000	1	107.3345	0.113	11	107.2765	0.143	12	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){10|H<1>,1|C<3>,1|N<3>,2|C<4>}	H(C[6,6]C[3x6]C[6,6]C[6])	107.3650	0.000	1	107.3345	0.113	11	107.2765	0.143	12	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){11|H<1>,1|N<4>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]C[6])	107.7280	0.000	1	107.3345	0.113	11	107.2765	0.143	12	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:N[5]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(N[5]C[5]2H)(H)	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	H(C[6,6]C[3x6]C[6,6]N[5])	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(N[5]C[5]2H)(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){4|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]N[5])	107.5650	0.000	1	107.5650	0.000	1	107.5650	0.000	1	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)2(H)	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)2(H){1|C<3>,2|H<1>,6|C<4>}	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H){5|C<4>,9|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.5840	0.000	1	107.5840	0.000	1	107.5840	0.000	1	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.3015	0.206	2	108.3540	0.029	3	108.2595	0.055	4	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.4590	0.000	1	108.3540	0.029	3	108.2595	0.055	4	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[3x6](C[6,6]C[6]2H)2(C[6,6]C[6]2)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,3|C<3>,3|H<1>}	C[3x6](C[6,6]C[6]2H)2(C[6,6]C[6]2)(H){2|O<1>,2|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.9760	0.000	1	107.9760	0.000	1	108.2595	0.055	4	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,4|H<1>}	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){11|H<1>,1|O<2>,3|C<4>}	H(C[6,6]C[3x6]C[6]2)	107.3180	0.000	1	107.3180	0.000	1	107.7766	0.062	13	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[3,6]C[6,6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[3,6]C[6,6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){1|C<2>,1|N<3>,1|O<2>,3|C<4>,9|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.8730	0.000	1	107.8730	0.000	1	107.7766	0.062	13	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){10|H<1>,1|C<3>,1|N<3>,3|C<4>}	H(C[6,6]C[3x6]C[6]2)	107.8505	0.313	2	107.8095	0.051	11	107.7766	0.062	13	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){10|H<1>,1|N<3>,4|C<4>}	H(C[6,6]C[3x6]C[6]2)	107.7435	0.377	2	107.8095	0.051	11	107.7766	0.062	13	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){11|H<1>,1|N<3>,3|C<4>}	H(C[6,6]C[3x6]C[6]2)	107.7320	0.236	4	107.8095	0.051	11	107.7766	0.062	13	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|H<1>,2|C<3>,4|C<4>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){10|H<1>,1|C<3>,1|N<3>,2|C<4>}	H(C[6,6]C[3x6]C[6]2)	108.0140	0.000	1	107.8095	0.051	11	107.7766	0.062	13	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){10|H<1>,1|C<3>,1|N<3>,2|C<4>}	H(C[6,6]C[3x6]C[6]2)	107.8180	0.000	1	107.8095	0.051	11	107.7766	0.062	13	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){3|H<1>,6|C<4>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){11|H<1>,1|N<4>,3|C<4>}	H(C[6,6]C[3x6]C[6]2)	107.9570	0.000	1	107.8095	0.051	11	107.7766	0.062	13	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CN)(H)	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CN)(H){2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	H(C[6,6]C[3x6]C[6]N[6])	107.9970	0.000	1	107.9970	0.000	1	107.9970	0.000	1	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[6]N[6])	108.2155	1.427	8	108.2155	2.038	8	108.2155	2.038	8	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:N[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(CC[6a]HH)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]N[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(CC[6a]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<2>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]N[6,6]C)	108.2810	0.000	1	108.3125	0.002	2	108.3125	0.002	2	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:N[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(CC[6a]HH)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3x6]N[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(CC[6a]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]N[6,6]C)	108.3440	0.000	1	108.3125	0.002	2	108.3125	0.002	2	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[3x6]O[5])(C[3x6]C[6,6]2H)(CCHH)(H)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[5,6,6]C[3x6]C)	C[6,6](C[5,6,6]C[5,3x6]C[3x6]O[5])(C[3x6]C[6,6]2H)(CCHH)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[5,6,6]C[3x6]C)	106.3580	0.000	1	106.3580	0.000	1	107.2240	1.500	2	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]N[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(CHHO)(H)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]C)(H)	H(C[6,6]C[5,6,6]C[3x6]C)	C[6,6](C[5,6,6]N[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(CHHO)(H){1|C<3>,3|C<4>,4|H<1>}	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]C)(H){1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[3x6]C)	108.0900	0.000	1	108.0900	0.000	1	107.2240	1.500	2	107.7270	0.851	73	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:2:	4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-3:O[6]-2:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]O[6])(C[3x6]C[6,6]O[6,6]H)(CH3)(H)	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(C[6]C[6]C)(O[6]C[6])	H(C[6,6]C[3x6]2C)	C[6,6](C[3x6]C[3x6]C[6]O[6])(C[3x6]C[6,6]O[6,6]H)(CH3)(H){1|H<1>,3|C<3>,4|C<4>}	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(C[6]C[6]C)(O[6]C[6]){1|O<2>,2|O<1>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2C)	107.4310	0.000	1	107.4310	0.000	1	107.4310	0.000	1	107.1885	0.118	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:2:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6]2H)2(C[6,6]N[6]2)(CN)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	C[3x6](C[6,6]C[6]2H)2(C[6,6]N[6]2)(CN){1|C<2>,1|C<4>,4|C<3>,5|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.9460	0.000	1	106.9460	0.000	1	106.9460	0.000	1	107.1885	0.118	2	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:4:	4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]Si[6]H)(C[3x6]C[6,6]2C)(CCHH)(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3)	H(C[6,6]C[3x6]2C)	C[6,6](C[3x6]C[4x6]Si[6]H)(C[3x6]C[6,6]2C)(CCHH)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3){1|Si<4>,1|C<4>,4|H<1>}	H(C[6,6]C[3x6]2C)	107.7540	0.000	1	107.7540	0.000	1	105.8977	4.741	3	106.6214	1.116	20	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:4:	4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(CH3)(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)(CH3)	H(C[6,6]C[3x6]2C)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(CH3)(H){2|O<1>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)(CH3){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2C)	104.9695	2.077	2	104.9695	4.313	2	105.8977	4.741	3	106.6214	1.116	20	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:4:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(CCHO)(H)	C[3x6](C[5,6,6]C[6,6]O[5]2)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CCHH)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(CCHO)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[3x6](C[5,6,6]C[6,6]O[5]2)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CCHH){3|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.0270	0.051	4	107.0270	0.003	4	107.0270	0.003	4	106.6214	1.116	20	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:4:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]B)(CH3)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H){1|B<4>,1|N<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]B)(CH3){1|C<3>,1|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	106.5454	0.441	8	106.5454	0.194	8	106.7036	0.266	10	106.6214	1.116	20	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:4:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]Se)(CH3)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H){1|Se<1>,1|N<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]Se)(CH3){1|C<3>,1|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.2080	0.000	1	107.2080	0.000	1	106.7036	0.266	10	106.6214	1.116	20	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:4:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]O[6,6]HO)(C[6,6]C[6,6]H)(CCHH)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H){1|C<3>,2|O<2>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]O[6,6]HO)(C[6,6]C[6,6]H)(CCHH){1|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.4650	0.000	1	107.4650	0.000	1	106.7036	0.266	10	106.6214	1.116	20	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:4:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[3x6](C[6,6]C[6]2H)2(C[6]C[6,6a]O)(C[6]C[6]HH)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,3|C<4>,7|H<1>}	C[3x6](C[6,6]C[6]2H)2(C[6]C[6,6a]O)(C[6]C[6]HH){10|H<1>,2|C<3>,2|C<4>}	H(C[6,6]C[3x6]C[6]2)	107.6105	0.077	2	107.6105	0.006	2	107.6105	0.006	2	106.6214	1.116	20	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[3x6]C[6,6]2C)(C[6]C[6]HO)(H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2)(CH3)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[3x6]C[6,6]2C)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6,6]C[6])	104.3700	0.000	1	104.3700	0.000	1	104.3700	0.000	1	106.6214	1.116	20	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3,6]C[3,6]C[3]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3,6]C[3x6]C[6])	C[6,6](C[3,6]C[3,6]C[3]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){2|Br<1>,1|N<3>,4|C<4>,4|H<1>}	C[3x6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[3,6]C[3x6]C[6])	107.4060	0.000	1	107.4060	0.000	1	107.4060	0.000	1	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[4x6]-4:C[6,6]-4:Si[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]Si[6]H)(C[3x6]C[6,6]2C)(CCHH)(H)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]CH)(Si[6]O[6]CC)(H)	H(C[6,6]C[3x6]2C)	C[6,6](C[3x6]C[4x6]Si[6]H)(C[3x6]C[6,6]2C)(CCHH)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]CH)(Si[6]O[6]CC)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[3x6]2C)	107.7790	0.000	1	106.5150	1.198	3	106.5150	1.198	3	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[4x6]-4:C[6,6]-4:Si[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]Si[6]H)(C[3x6]C[6,6]2C)(CCHH)(H)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]CH)(Si[6]O[6]CC)(H)	H(C[6,6]C[3x6]2C)	C[6,6](C[3x6]C[4x6]Si[6]H)(C[3x6]C[6,6]2C)(CCHH)(H){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]CH)(Si[6]O[6]CC)(H){1|O<1>,3|H<1>,5|C<4>}	H(C[6,6]C[3x6]2C)	105.8830	0.000	2	106.5150	1.198	3	106.5150	1.198	3	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(CH3)(H)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]2C)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(CH3)(H){2|O<1>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[3x6]2C)	105.1200	2.031	2	105.1200	4.124	2	106.0363	4.581	3	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(CC[6a]RuH)(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2C)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(CC[6a]RuH)(H){1|C<3>,3|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)2(H){1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2C)	107.8690	0.000	1	107.8690	0.000	1	106.0363	4.581	3	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[3]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(C[3]C[3]O[3]H)(H)	C[3x6](C[6,6]C[3x6]C[3]H)(C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]2C[3])	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(C[3]C[3]O[3]H)(H){2|H<1>,2|O<1>,6|C<4>}	C[3x6](C[6,6]C[3x6]C[3]H)(C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(H){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	H(C[6,6]C[3x6]2C[3])	107.9070	0.000	1	107.9070	0.000	1	107.9070	0.000	1	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5]2Ti)(H)	C[3x6](C[6,6]C[3x6]C[5]H)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2C[5])	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5]2Ti)(H){10|H<1>,4|C<4>}	C[3x6](C[6,6]C[3x6]C[5]H)(C[6,6]C[3x6]HH)2(H){1|Ti<11>,3|H<1>,5|C<4>}	H(C[6,6]C[3x6]2C[5])	107.7770	0.006	2	107.6345	0.914	18	107.6345	0.914	18	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5]2Ti)(H)	C[3x6](C[6,6]C[3x6]C[5]H)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2C[5])	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5]2Ti)(H){10|H<1>,4|C<4>}	C[3x6](C[6,6]C[3x6]C[5]H)(C[6,6]C[3x6]HH)2(H){1|Ti<12>,3|H<1>,5|C<4>}	H(C[6,6]C[3x6]2C[5])	107.6473	1.088	14	107.6345	0.914	18	107.6345	0.914	18	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5]2Ti)(H)	C[3x6](C[6,6]C[3x6]C[5]H)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2C[5])	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5]2Ti)(H){10|H<1>,4|C<4>}	C[3x6](C[6,6]C[3x6]C[5]H)(C[6,6]C[3x6]HH)2(H){1|Ti<13>,3|H<1>,5|C<4>}	H(C[6,6]C[3x6]2C[5])	107.4025	0.012	2	107.6345	0.914	18	107.6345	0.914	18	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2H)(H)	C[3x6](C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2C[6,6])	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2H)(H){10|H<1>,1|C<3>,5|C<4>}	C[3x6](C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)2(H){4|H<1>,5|C<4>}	H(C[6,6]C[3x6]2C[6,6])	106.4260	0.023	2	106.2136	0.932	7	106.2136	0.932	7	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2H)(H)	C[3x6](C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2C[6,6])	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2H)(H){10|H<1>,6|C<4>}	C[3x6](C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)2(H){4|H<1>,5|C<4>}	H(C[6,6]C[3x6]2C[6,6])	105.8473	1.138	4	106.2136	0.932	7	106.2136	0.932	7	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2H)(H)	C[3x6](C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2C[6,6])	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2H)(H){1|O<1>,6|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)2(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[3x6]2C[6,6])	107.2540	0.000	1	106.2136	0.932	7	106.2136	0.932	7	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:N[4]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(N[4]Ga[4]2N[6])(H)	C[3x6](C[6,6]C[3x6]N[4]H)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2N[4])	C[6,6](C[3x6]C[6,6]2H)2(N[4]Ga[4]2N[6])(H){1|N<4>,8|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]N[4]H)(C[6,6]C[3x6]HH)2(H){2|Ga<4>,1|N<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2N[4])	104.2491	0.285	8	104.2491	0.082	8	104.2491	0.082	8	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:Si[5]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(Si[5]C[5]2O)(H)	C[3x6](C[6,6]C[3x6]Si[5]H)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]2Si[5])	C[6,6](C[3x6]C[6,6]2H)2(Si[5]C[5]2O)(H){2|C<4>,4|C<3>,8|H<1>}	C[3x6](C[6,6]C[3x6]Si[5]H)(C[6,6]C[3x6]HH)2(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2Si[5])	105.5860	0.006	2	105.5860	0.000	2	105.5860	0.000	2	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3,6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[5,6,6]H)(C[5]C[5,6a]N[5]C)(C[6,6]C[3x6]CH)(H)	C[3x6](C[5,6,6]N[5,6,6]C[5,6a]C)(C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]C[5]H)(H)	H(C[6,6]C[3x6]C[6,6]C[5])	C[6,6](C[3x6]C[3,6,6]C[5,6,6]H)(C[5]C[5,6a]N[5]C)(C[6,6]C[3x6]CH)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[3x6](C[5,6,6]N[5,6,6]C[5,6a]C)(C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]C[5]H)(H){1|N<3>,2|C<4>,2|H<1>,5|C<3>}	H(C[6,6]C[3x6]C[6,6]C[5])	103.7780	0.000	1	103.7780	0.000	1	103.7780	0.000	1	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CCCH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.3680	0.000	1	107.3680	0.000	1	104.5421	29.540	3	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CH3)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	98.2762	0.000	1	98.2762	0.000	1	104.5421	29.540	3	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]N[4x6]CH)(CHHO)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]N[4x6]CH)(CHHO)(H){3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.9820	0.000	1	107.9820	0.000	1	104.5421	29.540	3	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCHH)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCHH)(H){1|B<4>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.8750	0.081	2	107.6484	0.161	5	104.9035	69.241	8	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCHH)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCHH)(H){2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.4973	0.482	3	107.6484	0.161	5	104.9035	69.241	8	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CClCH)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CClCH)(H){2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.3270	0.000	1	108.3270	0.000	1	104.9035	69.241	8	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CH3)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CH3)(H){2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|N<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	84.3373	0.000	1	84.3373	0.000	1	104.9035	69.241	8	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(CCHH)(H)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(CCHH)(H){3|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.3220	0.000	1	108.3220	0.000	1	104.9035	69.241	8	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.3620	0.000	1	107.3620	0.000	1	107.3620	0.000	1	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:P[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]CC)(CH3)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(P[6,6]C[6,6]CC)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]CC)(CH3)(H){3|H<1>,4|C<4>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(P[6,6]C[6,6]CC)(H){3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.0580	0.000	1	107.0580	0.000	1	107.0580	0.000	1	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	P[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]CC)(CH3)(H)	C[3x6](P[6,6]C[6,6]PdC)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]CC)(CH3)(H){1|Pd<4>,3|C<4>,3|H<1>}	C[3x6](P[6,6]C[6,6]PdC)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H){3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	106.4535	0.097	2	106.4535	0.009	2	106.4000	0.073	4	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	P[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]CC)(CH3)(H)	C[3x6](P[6,6]C[6,6]PtC)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]CC)(CH3)(H){1|Pt<4>,3|C<4>,3|H<1>}	C[3x6](P[6,6]C[6,6]PtC)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H){3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	106.3465	0.445	2	106.3465	0.198	2	106.4000	0.073	4	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2H)(H)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2H)(H){11|H<1>,1|N<3>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]C[6])	107.0285	0.672	2	107.0285	0.452	2	106.5667	0.501	4	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2O)(H)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2O)(H){11|H<1>,1|N<3>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]C[6])	105.7900	0.000	1	105.7900	0.000	1	106.5667	0.501	4	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(N[6,6]C[6]2O)(H)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(N[6,6]C[6]2O)(H){11|H<1>,1|N<3>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]C[6])	106.4200	0.000	1	106.4200	0.000	1	106.5667	0.501	4	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:N-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(NH3)(H)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H)	H(C[6,6]C[3x6]C[6,6]N)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(NH3)(H){2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H){1|N<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]N)	109.6522	1.178	6	109.6522	1.388	6	109.6522	1.388	6	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H){1|C<3>,1|N<2>,6|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.7210	0.000	1	107.2608	0.125	5	107.4412	0.261	11	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H){1|C<3>,5|C<4>,8|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.7780	0.000	1	107.2608	0.125	5	107.4412	0.261	11	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H){1|C<3>,1|N<2>,6|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.0780	0.000	1	107.2608	0.125	5	107.4412	0.261	11	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H){1|C<3>,1|O<2>,6|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.3635	0.011	2	107.2608	0.125	5	107.4412	0.261	11	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H){1|C<3>,1|N<2>,6|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.2560	0.000	1	107.7300	0.553	2	107.4412	0.261	11	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CN)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H){1|C<3>,1|N<2>,6|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.2040	0.000	1	107.7300	0.553	2	107.4412	0.261	11	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CO)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H){1|C<3>,1|O<2>,6|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.9795	0.144	2	106.9795	0.021	2	107.4412	0.261	11	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)2(H)	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)2(H){1|C<3>,4|H<1>,5|C<4>}	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)2(H){1|O<1>,5|C<4>,8|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.0650	0.049	2	108.0650	0.002	2	107.4412	0.261	11	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[3x6](C[3x6]C[6,6]C[6]N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|N<3>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[6,6]C[6]N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.2515	0.414	2	107.2515	0.171	2	108.4883	1.729	8	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)2(H)	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){10|H<1>,1|C<3>,1|S<4>,2|C<4>}	H(C[6,6]C[3x6]C[6]2)	107.5400	0.000	1	108.9005	1.571	6	108.4883	1.729	8	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)2(H)	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){10|H<1>,1|C<3>,1|S<4>,2|C<4>}	H(C[6,6]C[3x6]C[6]2)	110.0220	0.000	3	108.9005	1.571	6	108.4883	1.729	8	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)2(H)	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){10|H<1>,2|C<3>,2|C<4>}	H(C[6,6]C[3x6]C[6]2)	107.5660	0.000	1	108.9005	1.571	6	108.4883	1.729	8	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)2(H)	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){11|H<1>,1|C<4>,2|C<3>}	H(C[6,6]C[3x6]C[6]2)	108.2310	0.000	1	108.9005	1.571	6	108.4883	1.729	8	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[6]C[6]HH)2(H)	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[4x6]C[6]H)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,9|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.9035	0.008	2	107.9035	0.000	2	107.9035	0.000	2	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|N<3>,1|O<2>,4|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.7560	0.000	1	107.7560	0.000	1	107.4693	0.774	3	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)2(H)	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|Cl<1>,2|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.4820	0.000	1	107.3260	1.425	2	107.4693	0.774	3	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)2(H)	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.1700	0.000	1	107.3260	1.425	2	107.4693	0.774	3	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[3x6](C[6,6]N[5,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6]2H)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){2|N<3>,4|C<4>,4|H<1>}	C[3x6](C[6,6]N[5,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6]2H)(H){1|N<3>,3|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[6]2)	104.1920	0.000	2	104.1920	0.000	2	106.7094	1.357	15	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2H)2(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){4|H<1>,6|C<4>}	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2H)2(H){1|C<3>,1|O<2>,5|C<4>,8|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.3500	0.000	1	106.3500	0.000	1	106.7094	1.357	15	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2H)2(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|H<1>,6|C<4>}	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2H)2(H){1|C<3>,1|O<2>,5|C<4>,8|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.0630	0.000	1	107.0630	0.000	1	106.7094	1.357	15	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6]2H)3(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[6]2H)3(H){1|C<3>,1|N<2>,6|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.5860	0.000	1	106.5860	0.000	1	106.7094	1.357	15	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2N)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<2>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2N)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.6030	0.000	1	107.4670	0.037	2	106.7094	1.357	15	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2N)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<2>,1|O<2>,3|C<4>,5|H<1>}	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2N)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.3310	0.000	1	107.4670	0.037	2	106.7094	1.357	15	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)2(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)2(H){1|C<3>,1|N<2>,1|O<2>,5|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.8370	0.000	1	106.8370	0.000	1	106.7094	1.357	15	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6]2H)3(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[6]2H)3(H){1|C<3>,1|N<2>,6|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.2690	0.000	1	108.2690	0.000	1	106.7094	1.357	15	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)2(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)2(H){1|C<3>,1|N<2>,1|O<2>,5|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.7750	0.000	1	106.7750	0.000	1	106.7094	1.357	15	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(C[6,6]C[6]2H)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,7|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.4030	0.591	2	107.4707	0.188	3	106.7094	1.357	15	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(C[6,6]C[6]2H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,7|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.6060	0.000	1	107.4707	0.188	3	106.7094	1.357	15	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(H)	C[3x6](C[6,6]C[6]2H)3(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[6]2H)3(H){2|O<1>,3|C<4>,8|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.1830	0.000	1	106.5155	0.221	2	106.7094	1.357	15	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(H)	C[3x6](C[6,6]C[6]2H)3(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,5|H<1>}	C[3x6](C[6,6]C[6]2H)3(H){2|O<1>,4|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.8480	0.000	1	106.5155	0.221	2	106.7094	1.357	15	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2H)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2H)(H){11|H<1>,1|N<3>,3|C<4>}	H(C[6,6]C[3x6]C[6]2)	107.0720	0.475	2	107.0720	0.226	2	106.7263	0.471	3	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2O)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2O)(H){11|H<1>,1|N<3>,3|C<4>}	H(C[6,6]C[3x6]C[6]2)	106.0350	0.000	1	106.0350	0.000	1	106.7263	0.471	3	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,6|H<1>}	H(C[6,6]C[3x6]C[6]N[6])	108.2040	0.000	1	108.2717	0.004	3	108.2717	0.004	3	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,9|H<1>}	H(C[6,6]C[3x6]C[6]N[6])	108.3055	0.019	2	108.2717	0.004	3	108.2717	0.004	3	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]N[5]H)(C[3x6]C[6,6]2H)(CCHH)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[6,6]C[3x6]N[5]H)(C[3x6]C[6,6]2H)(CCHH)(H){1|C<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,1|O<1>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.0700	0.000	1	108.0700	0.000	1	107.6525	0.349	2	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[5,3x6]HH)(C[3x6]C[6,6]2H)(CCHH)(H)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[6,6]N[5,3x6]HH)(C[3x6]C[6,6]2H)(CCHH)(H){3|C<4>,4|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.2350	0.000	1	107.2350	0.000	1	107.6525	0.349	2	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[3x6]C[6,6]2H)(C[6]C[5a,6]HH)(H)	C[3x6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(H)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[3x6]C[6,6]2H)(C[6]C[5a,6]HH)(H){1|C<3>,1|N<3>,2|O<2>,3|C<4>,5|H<1>}	C[3x6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	107.0990	0.000	1	107.0990	0.000	1	107.7600	0.874	2	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]O)(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)2(H)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]O)(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){3|C<3>,3|H<1>,5|C<4>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)2(H){1|O<2>,3|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	108.4210	0.000	1	108.4210	0.000	1	107.7600	0.874	2	106.8693	7.062	120	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:2:	4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]O[6])(C[3x6]C[6,6]O[6,6]H)(CH3)(H)	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(C[6]C[6]CH)(O[6]C[6])	H(C[6,6]C[3x6]2C)	C[6,6](C[3x6]C[3x6]C[6]O[6])(C[3x6]C[6,6]O[6,6]H)(CH3)(H){2|C<3>,2|H<1>,5|C<4>}	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(C[6]C[6]CH)(O[6]C[6]){2|O<1>,2|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2C)	107.1410	0.000	1	107.1410	0.000	1	107.1410	0.000	1	106.8921	0.688	53	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:2:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CHHO)(H)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HO)(OC)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CHHO)(H){2|H<1>,2|O<2>,3|C<4>}	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HO)(OC){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.0722	0.810	4	107.0722	0.657	4	107.0722	0.657	4	106.8921	0.688	53	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:2:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O[6,6]-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]HH)(CCHH)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6]C[6]O[6]H)(O[6,6]C[6,6])	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]HH)(CCHH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6]C[6]O[6]H)(O[6,6]C[6,6]){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.7990	0.000	1	107.7990	0.000	1	107.7990	0.000	1	106.8921	0.688	53	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[3x6](C[3x6]C[6,6]C[6]N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|N<3>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[6,6]C[6]N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){1|C<3>,3|C<4>,9|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.2410	0.000	1	108.2410	0.000	1	107.8407	0.121	3	106.8921	0.688	53	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C[3x6](C[3x6]C[6,6a]C[6]N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,1|N<4>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[6,6a]C[6]N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){10|H<1>,2|C<3>,2|C<4>}	H(C[6,6]C[3x6]C[6]2)	107.6140	0.000	1	107.6140	0.000	1	107.8407	0.121	3	106.8921	0.688	53	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6]HH)2(H)	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){10|H<1>,1|C<3>,3|C<4>}	H(C[6,6]C[3x6]C[6]2)	107.6670	0.000	1	107.6670	0.000	1	107.8407	0.121	3	106.8921	0.688	53	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]O)(C[6]C[6]HH)2(H)	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[4x6]C[6]O)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){1|C<3>,4|C<4>,9|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.9580	0.000	1	107.9580	0.000	1	107.9580	0.000	1	106.8921	0.688	53	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2H)(OC)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2H)(OC){1|O<2>,2|C<3>,4|H<1>,6|C<4>}	H(C[6,6]C[3x6]C[6]2)	103.9100	0.447	2	103.9100	0.200	2	103.9100	0.200	2	106.8921	0.688	53	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]C[6]CH)(O[6]O[6])	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<2>,2|C<4>,3|O<2>,5|H<1>}	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]C[6]CH)(O[6]O[6]){4|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6]2)	106.3210	0.000	1	106.8559	0.370	13	106.8859	0.248	32	106.8921	0.688	53	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]C[6]CH)(O[6]O[6])	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|H<1>,4|O<2>}	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]C[6]CH)(O[6]O[6]){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.1790	0.000	1	106.8559	0.370	13	106.8859	0.248	32	106.8921	0.688	53	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]C[6]CH)(O[6]O[6])	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|O<2>,4|H<1>}	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]C[6]CH)(O[6]O[6]){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.0300	0.220	3	106.8559	0.370	13	106.8859	0.248	32	106.8921	0.688	53	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]C[6]CH)(O[6]O[6])	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,4|O<2>,5|H<1>}	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]C[6]CH)(O[6]O[6]){4|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6]2)	106.8171	0.741	8	106.8559	0.370	13	106.8859	0.248	32	106.8921	0.688	53	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]N[6]CH)(O[6]O[6])	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|O<2>,4|H<1>}	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]N[6]CH)(O[6]O[6]){1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6]2)	107.0210	0.560	2	107.0210	0.314	2	106.8859	0.248	32	106.8921	0.688	53	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[3x6](C[6,6]N[6]O[6]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(O[6]O[6])	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[3x6](C[6,6]N[6]O[6]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(O[6]O[6]){1|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.8056	0.235	16	106.8056	0.055	16	106.8859	0.248	32	106.8921	0.688	53	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)2(H)	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]N[6]CH)(O[6]O[6])	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,3|O<2>,4|H<1>}	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]N[6]CH)(O[6]O[6]){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.2900	0.000	1	108.2900	0.000	1	106.8859	0.248	32	106.8921	0.688	53	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CC)(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CC)(H){2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<2>,3|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[6]N[6])	106.9285	0.211	2	106.9285	0.045	2	107.1944	0.090	7	106.8921	0.688	53	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[3x6]C[6]N[6])	107.2210	0.515	2	107.2963	0.098	4	107.1944	0.090	7	106.8921	0.688	53	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<2>,2|C<4>,3|C<3>,8|H<1>}	H(C[6,6]C[3x6]C[6]N[6])	107.3715	0.088	2	107.2963	0.098	4	107.1944	0.090	7	106.8921	0.688	53	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CO)(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CO)(H){2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,2|C<4>,3|C<3>,7|H<1>}	H(C[6,6]C[3x6]C[6]N[6])	107.3190	0.000	1	107.3190	0.000	1	107.1944	0.090	7	106.8921	0.688	53	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[3x6]C[6,6]2O)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2H)(OC)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[3x6]C[6,6]2O)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2H)(OC){1|O<2>,2|C<3>,4|H<1>,6|C<4>}	H(C[6,6]C[3x6]C[6,6]C[6])	106.0220	0.577	2	106.0220	0.333	2	106.0220	0.333	2	106.8921	0.688	53	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:3:	4:	C[3,6,6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[6,6]2C)(CCHH)(H)	C[3x6](C[6,6]C[3,6,6]CH)(C[6,6]N[6,6]CH)(C[6,6]O[6,6]HH)(COO)	H(C[6,6]C[3,6,6]C[3x6]C)	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[6,6]2C)(CCHH)(H){1|N<3>,1|O<2>,2|C<4>,5|H<1>}	C[3x6](C[6,6]C[3,6,6]CH)(C[6,6]N[6,6]CH)(C[6,6]O[6,6]HH)(COO){1|O<2>,3|C<4>}	H(C[6,6]C[3,6,6]C[3x6]C)	108.8590	0.099	2	108.8590	0.010	2	108.8590	0.010	2	108.2840	0.481	5	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:3:	4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(CC[6a]RuH)(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)2(N[5]C[5]2)	H(C[6,6]C[3x6]2C)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(CC[6a]RuH)(H){1|C<3>,3|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)2(N[5]C[5]2){1|Ru<6>,1|N<3>,4|C<4>,5|H<1>}	H(C[6,6]C[3x6]2C)	107.8100	0.000	1	107.8100	0.000	1	107.8100	0.000	1	108.2840	0.481	5	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:3:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6,6]C[6,6]C[6]H)(CHO)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|O<2>,5|C<4>,6|H<1>}	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6,6]C[6,6]C[6]H)(CHO){5|C<4>,9|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	107.3130	0.000	1	107.3130	0.000	1	107.3130	0.000	1	108.2840	0.481	5	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:3:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6]HH)2(H)	C[3x6](C[3x6]C[6]N[6]O[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CCO)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[6]N[6]O[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CCO){1|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.5790	0.000	1	108.5790	0.000	1	108.5790	0.000	1	108.2840	0.481	5	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[3,6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3x6]C[4x6]C[6,6]C)(C[6]C[6]HH)(H)	C[3x6](C[4x6]C[3x6]O[6,6]O)(C[6,6]C[3,6,6]C[6]H)(C[6,6]C[3x6]CH)(CH3)	H(C[6,6]C[3,6,6]C[3x6]C[6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3x6]C[4x6]C[6,6]C)(C[6]C[6]HH)(H){2|O<2>,5|C<4>,5|H<1>}	C[3x6](C[4x6]C[3x6]O[6,6]O)(C[6,6]C[3,6,6]C[6]H)(C[6,6]C[3x6]CH)(CH3){1|O<2>,3|H<1>,6|C<4>}	H(C[6,6]C[3,6,6]C[3x6]C[6])	106.3430	0.000	1	106.3430	0.000	1	106.3430	0.000	1	106.3819	0.827	26	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[3x6]C[6]2)(CH3)(H)	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(C[6]C[6]HH)2	H(C[6,6]C[3x6]2C)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[3x6]C[6]2)(CH3)(H){1|C<3>,4|C<4>,6|H<1>}	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(C[6]C[6]HH)2{1|C<3>,1|C<4>,2|O<2>,7|H<1>}	H(C[6,6]C[3x6]2C)	106.4865	0.117	2	106.4865	0.014	2	106.4865	0.014	2	106.3819	0.827	26	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]C)(C[3x6]C[6,6]2C)(CCHH)(H)	C[3x6](C[4x6]C[3x6]O[6,6]O)(C[6,6]C[3,6,6]C[6]H)(C[6,6]C[3x6]CH)(CH3)	H(C[6,6]C[3x6]2C)	C[6,6](C[3x6]C[4x6]C[6,6]C)(C[3x6]C[6,6]2C)(CCHH)(H){3|C<4>,3|O<2>,4|H<1>}	C[3x6](C[4x6]C[3x6]O[6,6]O)(C[6,6]C[3,6,6]C[6]H)(C[6,6]C[3x6]CH)(CH3){1|O<2>,3|H<1>,6|C<4>}	H(C[6,6]C[3x6]2C)	106.8040	0.000	1	106.8040	0.000	1	106.8040	0.000	1	106.3819	0.827	26	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]C)(C[3x6]C[6,6]2C)(CCHH)(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(C[6,6]O[6,6]HH)(CH3)	H(C[6,6]C[3x6]2C)	C[6,6](C[3x6]C[4x6]C[6,6]C)(C[3x6]C[6,6]2C)(CCHH)(H){3|C<4>,3|O<2>,4|H<1>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(C[6,6]O[6,6]HH)(CH3){1|H<1>,4|C<4>}	H(C[6,6]C[3x6]2C)	106.8030	0.000	1	106.8030	0.000	1	106.2117	0.262	3	106.3819	0.827	26	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]Si[6]H)(C[3x6]C[6,6]2C)(CCHH)(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(CH3)	H(C[6,6]C[3x6]2C)	C[6,6](C[3x6]C[4x6]Si[6]H)(C[3x6]C[6,6]2C)(CCHH)(H){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(CH3){1|Si<4>,1|C<4>,1|O<1>,3|H<1>}	H(C[6,6]C[3x6]2C)	105.9160	0.000	2	105.9160	0.000	2	106.2117	0.262	3	106.3819	0.827	26	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H)	C[3x6](C[6,6]B[6,6]N[6,6]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(CH3)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H){1|B<3>,1|N<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]B[6,6]N[6,6]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.1680	0.000	1	107.1680	0.000	1	107.1660	0.009	3	106.3819	0.827	26	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H)	C[3x6](C[6,6]N[6,6]B[5a]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(CH3)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H){1|B<3>,1|N<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]N[6,6]B[5a]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(CH3){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.1650	0.136	2	107.1650	0.018	2	107.1660	0.009	3	106.3819	0.827	26	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]2H)(CHHO)(H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]2H)(CHHO)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]C[6]HH)(C[6]O[6]HH){1|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.0980	0.000	1	107.0980	0.000	1	107.0980	0.000	1	106.3819	0.827	26	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HO)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){1|C<3>,4|C<4>,4|O<2>,7|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HO){1|C<3>,5|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	106.6220	0.000	1	106.6220	0.000	1	106.6220	0.000	1	106.3819	0.827	26	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6,6]C[6,6]C[6]H)(CH3)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6,6]C[6,6]C[6]H)(CH3){1|C<3>,4|C<4>,9|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	107.5545	0.298	2	107.3620	0.155	3	107.3620	0.155	3	106.3819	0.827	26	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6,6]C[6,6]C[6]H)(CH3)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){3|O<2>,5|C<4>,5|H<1>}	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6,6]C[6,6]C[6]H)(CH3){5|C<4>,9|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	106.9770	0.000	1	107.3620	0.155	3	107.3620	0.155	3	106.3819	0.827	26	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){10|H<1>,1|O<2>,5|C<4>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]C[6]HH)(C[6]O[6]HH){1|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	104.4820	0.000	1	104.4820	0.000	1	104.6283	0.016	3	106.3819	0.827	26	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)2	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,1|C<3>,4|C<4>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)2{1|O<1>,1|O<2>,4|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6,6]C[6])	104.7015	0.011	2	104.7015	0.000	2	104.6283	0.016	3	106.3819	0.827	26	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[3x6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(CH3)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[3x6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(CH3){1|C<3>,1|O<1>,2|O<2>,3|H<1>,6|C<4>}	H(C[6,6]C[3x6]C[6]2)	104.7580	0.000	1	104.7580	0.000	1	104.7580	0.000	1	106.3819	0.827	26	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6,6]HH)(C[6]N[6]HH)(H)	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6,6]HH)(C[6]N[6]HH)(H){1|C<3>,1|S<4>,2|H<1>,4|C<4>}	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,2|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.6010	0.000	1	107.6010	0.000	1	107.6010	0.000	1	106.3819	0.827	26	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)2(H)	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,6|H<1>}	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH){2|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.1080	0.358	4	106.1080	0.128	4	106.1080	0.128	4	106.3819	0.827	26	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[3x6](C[6,6]C[6]2H)2(C[6]C[6]HH)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,9|H<1>}	C[3x6](C[6,6]C[6]2H)2(C[6]C[6]HH)2{2|O<1>,3|C<4>,8|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.5970	0.269	2	106.5970	0.072	2	106.5970	0.072	2	106.3819	0.827	26	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	H	5:4:1:1:	4:4:4:1:	4:	C[3x6]-5:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2NU)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2NU)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(H){1|U<12>,1|N<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	110.9468	2.286	12	110.9468	5.224	12	110.9468	5.224	12	110.9468	5.224	12	109.5900	0.944	25544	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:2:1:1:	3:4:4:4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[6,6,6a]C[3x6]C[6])(O[6,6]C[3x6])(H)2	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HH)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[6,6,6a]C[3x6]C[6])(O[6,6]C[3x6])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HH){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[4x6]O[6,6]H)	109.4485	0.025	2	109.4370	0.001	4	109.4370	0.001	4	109.4370	0.001	4	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:2:1:1:	3:4:4:4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[6,6,6a]C[3x6]C[6])(O[6,6]C[3x6])(H)2	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HH)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[6,6,6a]C[3x6]C[6])(O[6,6]C[3x6])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HH){2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[4x6]O[6,6]H)	109.4255	0.022	2	109.4370	0.001	4	109.4370	0.001	4	109.4370	0.001	4	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:2:1:1:	4:3:4:3:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:C[3x6]-3:C[6,6]-4:C[6,6]-3:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]2)(O[6,6]C[3x6])(H)2	C[4x6](C[6,6]C[5,6,6]C[6]H)(C[3x6]C[6,6]C[6])(C[6,6]O[6,6]HH)(C[6,6]C[6,6]O)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]2)(O[6,6]C[3x6])(H)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[4x6](C[6,6]C[5,6,6]C[6]H)(C[3x6]C[6,6]C[6])(C[6,6]O[6,6]HH)(C[6,6]C[6,6]O){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[4x6]O[6,6]H)	109.1665	0.047	2	109.1665	0.002	2	109.1665	0.002	2	109.1665	0.002	2	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:2:1:1:	4:3:4:4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[5,3x6]-4:C[6,6a]-3:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6a]C[6,6])(O[6,6]C[3x6])(H)2	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[5,3x6]C[6,6a]C[6,6])(O[6,6]C[3x6])(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[4x6]O[6,6]H)	109.3690	0.018	2	109.4850	0.020	4	109.4850	0.020	4	109.4850	0.020	4	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:2:1:1:	4:3:4:4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[5,3x6]-4:C[6,6a]-3:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6a]C[6,6])(O[6,6]C[3x6])(H)2	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[5,3x6]C[6,6a]C[6,6])(O[6,6]C[3x6])(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH){2|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[4x6]O[6,6]H)	109.6010	0.081	2	109.4850	0.020	4	109.4850	0.020	4	109.4850	0.020	4	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:2:1:1:	4:4:3:4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C[6,6])(O[6,6]C[4x6])(H)2	C[4x6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6])(C[6,6]O[6,6]HH)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[3x6]2C[6,6])(O[6,6]C[4x6])(H)2{1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[4x6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6])(C[6,6]O[6,6]HH){1|C<3>,1|O<2>,3|H<1>,8|C<4>}	H(C[6,6]C[4x6]O[6,6]H)	112.8105	0.182	2	112.8105	0.033	2	112.8105	0.033	2	112.8105	0.033	2	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:2:1:1:	4:4:4:3:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(H)2	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6,6]O)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6,6]O){1|C<3>,2|O<2>,3|H<1>,7|C<4>}	H(C[6,6]C[4x6]O[6,6]H)	109.3230	0.569	2	109.3230	0.323	2	109.7033	0.309	6	109.3795	0.464	10	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:2:1:1:	4:4:4:3:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(H)2	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]O)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]O){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[4x6]O[6,6]H)	109.4570	0.007	2	109.4570	0.000	2	109.7033	0.309	6	109.3795	0.464	10	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:2:1:1:	4:4:4:3:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[4x6])(H)2	C[4x6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]H)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[4x6])(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[4x6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]H){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	H(C[6,6]C[4x6]O[6,6]H)	110.3300	0.160	2	110.3300	0.026	2	109.7033	0.309	6	109.3795	0.464	10	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:2:1:1:	4:4:4:3:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:C[3x6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]2)(O[6,6]C[3x6])(H)2	C[4x6](C[6,6]C[5,6,6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6,6]C[6,6]O)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]2)(O[6,6]C[3x6])(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[4x6](C[6,6]C[5,6,6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6,6]C[6,6]O){1|O<2>,3|C<3>,3|H<1>,5|C<4>}	H(C[6,6]C[4x6]O[6,6]H)	108.6150	0.865	2	108.8937	0.354	4	108.8937	0.354	4	109.3795	0.464	10	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:2:1:1:	4:4:4:3:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:C[3x6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]2)(O[6,6]C[3x6])(H)2	C[4x6](C[6,6]C[5,6,6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6,6]C[6,6]O)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]2)(O[6,6]C[3x6])(H)2{1|O<1>,3|H<1>,5|C<4>}	C[4x6](C[6,6]C[5,6,6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6,6]C[6,6]O){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[4x6]O[6,6]H)	109.1725	0.050	2	108.8937	0.354	4	108.8937	0.354	4	109.3795	0.464	10	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:2:1:1:	4:4:4:4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[3,6,6]-4:C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3,6,6]C[3x6]2)(O[6,6]C[3x6])(H)2	C[4x6](C[3,6,6]C[3,6,6]O[3]O[6])(C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[3,6,6]C[3x6]2)(O[6,6]C[3x6])(H)2{2|H<1>,3|O<2>,5|C<4>}	C[4x6](C[3,6,6]C[3,6,6]O[3]O[6])(C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH){1|C<3>,1|O<2>,3|H<1>,8|C<4>}	H(C[6,6]C[4x6]O[6,6]H)	109.8695	0.733	2	109.8695	0.538	2	109.8695	0.538	2	109.5043	0.056	34	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:2:1:1:	4:4:4:4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(H)2	C[4x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(H)2{2|O<2>,3|H<1>,5|C<4>}	C[4x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO){1|O<2>,6|C<4>,6|H<1>}	H(C[6,6]C[4x6]O[6,6]H)	109.7380	0.066	2	109.7380	0.004	2	109.5518	0.012	25	109.5043	0.056	34	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:2:1:1:	4:4:4:4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(H)2	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(H)2{1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO){1|O<1>,1|O<2>,3|H<1>,7|C<4>}	H(C[6,6]C[4x6]O[6,6]H)	109.4490	0.000	1	109.5302	0.013	13	109.5518	0.012	25	109.5043	0.056	34	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:2:1:1:	4:4:4:4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(H)2	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(H)2{2|O<2>,3|H<1>,5|C<4>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[4x6]O[6,6]H)	109.4395	0.015	2	109.5302	0.013	13	109.5518	0.012	25	109.5043	0.056	34	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:2:1:1:	4:4:4:4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(H)2	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(H)2{2|O<2>,3|H<1>,5|C<4>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO){1|C<3>,2|O<2>,4|H<1>,6|C<4>}	H(C[6,6]C[4x6]O[6,6]H)	109.4265	0.026	2	109.5302	0.013	13	109.5518	0.012	25	109.5043	0.056	34	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:2:1:1:	4:4:4:4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(H)2	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(H)2{2|O<2>,3|H<1>,5|C<4>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO){1|O<2>,5|H<1>,7|C<4>}	H(C[6,6]C[4x6]O[6,6]H)	109.5764	0.100	5	109.5302	0.013	13	109.5518	0.012	25	109.5043	0.056	34	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:2:1:1:	4:4:4:4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(H)2	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(H)2{2|O<2>,3|H<1>,5|C<4>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO){2|O<2>,4|H<1>,7|C<4>}	H(C[6,6]C[4x6]O[6,6]H)	109.6100	0.150	3	109.5302	0.013	13	109.5518	0.012	25	109.5043	0.056	34	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:2:1:1:	4:4:4:4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(H)2	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]N[5a]C[6]H)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]N[5a]C[6]H){1|N<2>,1|O<2>,3|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[4x6]O[6,6]H)	109.4415	0.047	2	109.4415	0.002	2	109.5518	0.012	25	109.5043	0.056	34	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:2:1:1:	4:4:4:4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[5,3x6])(H)2	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[5,6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[5,3x6])(H)2{2|O<2>,3|H<1>,5|C<4>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[5,6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[4x6]O[6,6]H)	109.5680	0.051	8	109.5680	0.003	8	109.5518	0.012	25	109.5043	0.056	34	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:2:1:1:	4:4:4:4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]2)(O[6,6]C[3x6])(H)2	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]2)(O[6,6]C[3x6])(H)2{1|O<2>,4|H<1>,5|C<4>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[4x6]O[6,6]H)	109.4510	0.038	2	109.4510	0.001	2	109.4510	0.001	2	109.5043	0.056	34	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:2:1:1:	4:4:4:4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(O[6,6]C[5,4x6])(H)2	C[4x6](C[3x6]C[5,3x6]C[5,6]C)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)(C[6]C[5,6]HH)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(O[6,6]C[5,4x6])(H)2{4|H<1>,6|C<4>}	C[4x6](C[3x6]C[5,3x6]C[5,6]C)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)(C[6]C[5,6]HH){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[4x6]O[6,6]H)	109.0875	0.040	2	109.0875	0.002	2	109.0875	0.002	2	109.5043	0.056	34	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:2:1:1:	4:4:4:4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]2)(O[6,6]C[3x6])(H)2	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[5,3x6]C[6,6]2)(O[6,6]C[3x6])(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[4x6]O[6,6]H)	109.1777	0.065	3	109.1777	0.004	3	109.1777	0.004	3	109.5043	0.056	34	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:2:2:1:	4:3:4:4:	4:	C[4x6]-4:O[6,6]-2:O-2:H-1:	C[3x6]-4:C[3x6]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(OC)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]C[3x6]C[6])(C[6,6]O[6,6]HO)(C[6]C[6]HH)	H(C[6,6]C[4x6]O[6,6]O)	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(OC)(H){1|C<3>,4|C<4>,4|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]C[3x6]C[6])(C[6,6]O[6,6]HO)(C[6]C[6]HH){1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[4x6]O[6,6]O)	109.0360	0.000	1	109.0360	0.000	1	109.0360	0.000	1	109.0360	0.000	1	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:2:2:1:	4:4:3:4:	4:	C[4x6]-4:O[6,6]-2:O[6]-2:H-1:	C[3x6]-4:C[6,6]-4:C[3x6]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C[6,6])(O[6,6]C[3x6])(O[6]C[6])(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]O[6]H)(C[3x6]C[3x6]C[6])(C[6,6]O[6,6]CH)	H(C[6,6]C[4x6]O[6,6]O[6])	C[6,6](C[4x6]C[3x6]2C[6,6])(O[6,6]C[3x6])(O[6]C[6])(H){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]O[6]H)(C[3x6]C[3x6]C[6])(C[6,6]O[6,6]CH){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[4x6]O[6,6]O[6])	107.7050	0.000	1	107.7050	0.000	1	107.7050	0.000	1	107.7050	0.000	1	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:2:2:1:	4:4:4:4:	4:	C[4x6]-4:O[6,6]-2:O-2:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(OC)(H)	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HO)(C[6]C[6]HO)	H(C[6,6]C[4x6]O[6,6]O)	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(OC)(H){1|O<2>,4|H<1>,5|C<4>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HO)(C[6]C[6]HO){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[4x6]O[6,6]O)	108.3450	0.000	1	108.3450	0.000	1	108.3450	0.000	1	108.3450	0.000	1	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:2:4:1:	4:4:3:4:	4:	C[4x6]-4:O[6,6]-2:C-4:H-1:	C[3x6]-4:C[6,6]-4:C[3x6]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C[6,6])(O[6,6]C[3x6])(CH3)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]O[6]H)(C[3x6]C[3x6]C[6])(C[6,6]O[6,6]CH)	H(C[6,6]C[4x6]O[6,6]C)	C[6,6](C[4x6]C[3x6]2C[6,6])(O[6,6]C[3x6])(CH3)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]O[6]H)(C[3x6]C[3x6]C[6])(C[6,6]O[6,6]CH){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[4x6]O[6,6]C)	108.2550	0.000	1	108.2550	0.000	1	108.2550	0.000	1	108.2550	0.000	1	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:3:1:1:	3:3:4:4:	4:	C[4x6]-4:N[3x6]-3:H-1:H-1:	N[4x6]-3:N[4x6]-3:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2)(H)2	C[4x6](N[4x6]C[4x6]O[6,6])2(C[6,6]N[3x6]HH)(CH3)	H(C[6,6]C[4x6]N[3x6]H)	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[4x6](N[4x6]C[4x6]O[6,6])2(C[6,6]N[3x6]HH)(CH3){1|B<4>,1|N<3>,4|C<4>}	H(C[6,6]C[4x6]N[3x6]H)	109.7394	0.069	5	109.5976	0.062	7	109.5976	0.062	7	109.5976	0.062	7	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:3:1:1:	3:3:4:4:	4:	C[4x6]-4:N[3x6]-3:H-1:H-1:	N[4x6]-3:N[4x6]-3:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2)(H)2	C[4x6](N[4x6]C[4x6]O[6,6])2(C[6,6]N[3x6]HH)(CH3)	H(C[6,6]C[4x6]N[3x6]H)	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[4x6](N[4x6]C[4x6]O[6,6])2(C[6,6]N[3x6]HH)(CH3){1|B<4>,1|N<4>,4|C<4>}	H(C[6,6]C[4x6]N[3x6]H)	109.2430	0.013	2	109.5976	0.062	7	109.5976	0.062	7	109.5976	0.062	7	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:3:1:1:	4:3:4:4:	4:	C[4x6]-4:N[3x6]-3:H-1:H-1:	N[4x6]-4:N[4x6]-3:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2)(H)2	C[4x6](N[4x6]C[4x6]O[6,6]H)(N[4x6]C[4x6]O[6,6])(C[6,6]N[3x6]HH)(CH3)	H(C[6,6]C[4x6]N[3x6]H)	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2)(H)2{2|C<4>,2|O<2>,5|H<1>}	C[4x6](N[4x6]C[4x6]O[6,6]H)(N[4x6]C[4x6]O[6,6])(C[6,6]N[3x6]HH)(CH3){1|B<4>,1|N<3>,4|C<4>}	H(C[6,6]C[4x6]N[3x6]H)	109.1538	0.024	4	109.1538	0.001	4	109.1538	0.001	4	109.1538	0.001	4	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:3:1:1:	4:4:3:4:	4:	C[4x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)2	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)2{1|O<1>,4|C<4>,4|H<1>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.2460	0.016	2	109.2460	0.000	2	109.2623	0.001	3	109.5831	0.095	7	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:3:1:1:	4:4:3:4:	4:	C[4x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(H)2	C[4x6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(H)2{1|O<1>,4|C<4>,4|H<1>}	C[4x6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.2950	0.000	1	109.2950	0.000	1	109.2623	0.001	3	109.5831	0.095	7	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:3:1:1:	4:4:3:4:	4:	C[4x6]-4:C[6,6]-3:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[3x6]-3:C-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[4x6]C)(C[6,6]C[4x6]O)(H)2	C[4x6](C[4x6]C[5a,6,6]C[3x6]H)(C[6,6]C[6,6]HH)(C[3x6]C[4x6]O)(CH3)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[4x6]C)(C[6,6]C[4x6]O)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[4x6](C[4x6]C[5a,6,6]C[3x6]H)(C[6,6]C[6,6]HH)(C[3x6]C[4x6]O)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	109.9030	0.016	2	109.9030	0.000	2	109.9030	0.000	2	109.5831	0.095	7	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:3:1:1:	4:4:3:4:	4:	C[4x6]-4:N[5,6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:N[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(N[5,6,6]C[5,3x6]C[5])(H)2	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]N[5,6,6]HH)(N[6,6]C[6,6]H)(C[6]C[5,6]HH)	H(C[6,6]N[5,6,6]C[4x6]H)	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(N[5,6,6]C[5,3x6]C[5])(H)2{1|C<3>,5|C<4>,6|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]N[5,6,6]HH)(N[6,6]C[6,6]H)(C[6]C[5,6]HH){1|O<1>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]N[5,6,6]C[4x6]H)	109.7445	0.022	2	109.7445	0.000	2	109.7445	0.000	2	109.5831	0.095	7	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:3:1:1:	4:4:4:3:	4:	C[4x6]-4:S[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(S[6,6]C[3x6]C[6a])(H)2	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]S[6,6]HH)(C[6]C[6]O)	H(C[6,6]C[4x6]S[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(S[6,6]C[3x6]C[6a])(H)2{1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]S[6,6]HH)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[4x6]S[6,6]H)	110.2340	0.118	3	110.2340	0.014	3	110.2340	0.014	3	110.2340	0.014	3	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:3:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)2	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.4085	0.071	2	109.4472	0.004	4	109.4094	0.250	16	109.4094	0.250	16	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:3:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)2	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)2{4|C<4>,6|H<1>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH){1|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.4860	0.013	2	109.4472	0.004	4	109.4094	0.250	16	109.4094	0.250	16	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:3:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)2	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)2{4|C<4>,6|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH){1|C<4>,2|C<3>,8|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	108.2060	0.516	2	108.2060	0.266	2	109.4094	0.250	16	109.4094	0.250	16	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:3:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)2	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]O[6]HH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)2{1|O<2>,3|C<4>,6|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]O[6]HH){1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.6905	0.042	2	109.6905	0.002	2	109.4094	0.250	16	109.4094	0.250	16	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:3:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(H)2	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.6560	0.052	2	109.6635	0.001	6	109.4094	0.250	16	109.4094	0.250	16	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:3:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(H)2	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(H)2{4|C<4>,6|H<1>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	109.6672	0.036	4	109.6635	0.001	6	109.4094	0.250	16	109.4094	0.250	16	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:3:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(H)2	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(H)2{1|C<3>,4|C<4>,5|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|O<1>,2|C<4>,8|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.4940	0.028	2	109.4940	0.001	2	109.4094	0.250	16	109.4094	0.250	16	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:3:2:1:	4:3:4:3:	4:	C[4x6]-4:C[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[3x6]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C[6])(O[6]C[6])(H)	C[4x6](C[6,6]C[6,6]O[6]H)(C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(C[6]O[6]O)	H(C[6,6]C[4x6]C[6,6]O[6])	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C[6])(O[6]C[6])(H){1|O<1>,2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[4x6](C[6,6]C[6,6]O[6]H)(C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(C[6]O[6]O){1|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[4x6]C[6,6]O[6])	107.4960	0.000	1	107.4960	0.000	1	107.4960	0.000	1	107.4960	0.000	1	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:3:2:1:	4:4:4:3:	4:	C[4x6]-4:C[6,6]-3:O-2:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(OH)(H)	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HO)2(C[6]C[6]O)	H(C[6,6]C[4x6]C[6,6]O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(OH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HO)2(C[6]C[6]O){1|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[4x6]C[6,6]O)	109.1780	0.000	1	109.1780	0.000	1	109.1780	0.000	1	109.1780	0.000	1	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:3:2:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-3:O-2:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(OC)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(OC)(H){4|C<4>,6|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[6]C[6]HH){1|C<3>,2|C<4>,8|H<1>}	H(C[6,6]C[4x6]C[6,6]O)	109.5170	0.000	1	109.5170	0.000	1	108.4040	2.478	2	108.4040	2.478	2	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:3:2:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-3:O-2:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(OH)(H)	C[4x6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(OH)(H){4|C<4>,6|H<1>}	C[4x6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[6]C[6]HH){1|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[4x6]C[6,6]O)	107.2910	0.000	1	107.2910	0.000	1	108.4040	2.478	2	108.4040	2.478	2	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:3:3:1:	4:3:3:4:	4:	C[4x6]-4:C[3x6]-3:C[6a]-3:H-1:	C[6,6]-4:C[3x6]-3:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[4x6]C[6])(C[6a]C[6a]2)(H)	C[4x6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(C[6]O[6]HH)	H(C[6,6]C[3x6]C[4x6]C[6a])	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[4x6]C[6])(C[6a]C[6a]2)(H){1|O<2>,3|C<4>,5|C<3>,5|H<1>}	C[4x6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(C[6]O[6]HH){2|C<4>,2|H<1>,5|C<3>}	H(C[6,6]C[3x6]C[4x6]C[6a])	104.3590	4.383	2	104.3590	19.208	2	104.3590	19.208	2	104.3590	19.208	2	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:3:3:1:	4:3:4:4:	4:	C[4x6]-4:N[6]-3:N[6]-3:H-1:	C[4x6]-4:C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[6,6a]C[4x6]C[6])(N[6]C[6,6a]H)(N[6]C[6]C)(H)	C[4x6](C[4x6]C[6,6a]C[6,6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6]N[6]2H)(C[6]C[6]HH)	H(C[6,6]C[4x6]N[6]2)	C[6,6](C[4x6]C[6,6a]C[4x6]C[6])(N[6]C[6,6a]H)(N[6]C[6]C)(H){3|C<4>,4|C<3>,4|H<1>}	C[4x6](C[4x6]C[6,6a]C[6,6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6]N[6]2H)(C[6]C[6]HH){2|C<4>,2|N<3>,4|C<3>,7|H<1>}	H(C[6,6]C[4x6]N[6]2)	107.8700	0.223	2	107.8700	0.050	2	107.8700	0.050	2	107.8700	0.050	2	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:3:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]2)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)	H(C[6,6]C[4x6]C[6,6]C[6])	C[6,6](C[4x6]C[5,3x6]C[6,6]2)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){2|O<2>,4|C<4>,9|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[4x6]C[6,6]C[6])	107.0700	0.000	1	107.0700	0.000	1	106.7340	0.226	2	106.7340	0.226	2	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:3:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]2)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)	H(C[6,6]C[4x6]C[6,6]C[6])	C[6,6](C[4x6]C[5,3x6]C[6,6]2)(C[6,6]C[6]2)(C[6]C[6]HH)(H){10|H<1>,1|O<2>,4|C<4>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[4x6]C[6,6]C[6])	106.3980	0.000	1	106.3980	0.000	1	106.7340	0.226	2	106.7340	0.226	2	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	3:3:4:4:	4:	C[4x6]-4:N[3x6]-4:H-1:H-1:	N[4x6]-3:N[4x6]-3:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2C)(H)2	C[4x6](N[4x6]C[4x6]O[6,6])2(C[6,6]N[3x6]HH)(CH3)	H(C[6,6]C[4x6]N[3x6]H)	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2C)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[4x6](N[4x6]C[4x6]O[6,6])2(C[6,6]N[3x6]HH)(CH3){1|B<4>,1|N<3>,5|C<4>}	H(C[6,6]C[4x6]N[3x6]H)	109.5142	0.065	11	109.5142	0.004	11	109.5142	0.004	11	109.5142	0.004	11	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	3:4:2:4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-3:C[6,6]-4:O[6,6]-2:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[6,6]C[3x6]HO)(H)2	C[4x6](C[3x6]C[6,6]C[6])(C[6,6]C[6,6]HH)(O[6,6]O[6,6])(C[6]O[6]HH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[6,6]C[3x6]HO)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[4x6](C[3x6]C[6,6]C[6])(C[6,6]C[6,6]HH)(O[6,6]O[6,6])(C[6]O[6]HH){1|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	110.0415	0.006	2	110.0415	0.000	2	110.0415	0.000	2	110.0415	0.000	2	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	3:4:3:4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-3:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[6x6]HH)(H)2	C[4x6](C[3x6]C[4x6]C[6])(C[6,6]C[6,6]HH)(C[6,6]C[4x6]O)(C[6]C[6]CH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[6x6]HH)(H)2{1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[4x6](C[3x6]C[4x6]C[6])(C[6,6]C[6,6]HH)(C[6,6]C[4x6]O)(C[6]C[6]CH){4|C<4>,7|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.5225	0.005	2	109.5225	0.000	2	109.5225	0.000	2	109.5225	0.000	2	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	3:4:4:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-3:C[6x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[5,6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	C[4x6](C[5,6,6]C[5,4x6]N[5])(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[5,6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<2>,2|H<1>,4|C<4>}	C[4x6](C[5,6,6]C[5,4x6]N[5])(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.9578	0.256	5	109.9578	0.065	5	109.9578	0.065	5	109.9578	0.065	5	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	3:4:4:4:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6a]-3:C[3x6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[6,6a]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(H)2	C[4x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]N[6]C)(C[6,6]C[3x6]HH)2	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[6,6a]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(H)2{1|N<3>,2|C<3>,3|C<4>,6|H<1>}	C[4x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]N[6]C)(C[6,6]C[3x6]HH)2{1|O<1>,2|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.4633	0.052	3	109.4633	0.003	3	109.4633	0.003	3	109.4633	0.003	3	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:3:3:2:	4:	C[4x6]-4:C[5,6,6]-4:H-1:H-1:	C[6,6]-4:C[3x6]-3:C[6,6]-3:O[6]-2:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]O[6])(C[5,6,6]C[5,3x6]C[5]H)(H)2	C[4x6](C[6,6]C[5,6,6]HH)(C[3x6]C[6,6]C[6])(C[6,6]C[5,6,6]O)(O[6]C[6])	H(C[6,6]C[5,6,6]C[4x6]H)	C[6,6](C[4x6]C[3x6]C[6,6]O[6])(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[4x6](C[6,6]C[5,6,6]HH)(C[3x6]C[6,6]C[6])(C[6,6]C[5,6,6]O)(O[6]C[6]){1|O<1>,2|H<1>,2|O<2>,5|C<4>}	H(C[6,6]C[5,6,6]C[4x6]H)	109.6420	0.000	1	109.6420	0.000	1	109.6420	0.000	1	109.6420	0.000	1	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:3:3:4:	4:	C[4x6]-4:C[5,6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-3:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[6,6]N[3x6]C[6])(C[5,6,6]C[5,3x6]C[5]H)(H)2	C[4x6](C[6,6]C[5,6,6]HH)(N[3x6]C[6,6]C[6])(C[6,6]N[6,6]O)(C[6]C[6]HH)	H(C[6,6]C[5,6,6]C[4x6]H)	C[6,6](C[4x6]C[6,6]N[3x6]C[6])(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|N<3>,1|O<1>,2|H<1>,7|C<4>}	C[4x6](C[6,6]C[5,6,6]HH)(N[3x6]C[6,6]C[6])(C[6,6]N[6,6]O)(C[6]C[6]HH){3|C<4>,8|H<1>}	H(C[6,6]C[5,6,6]C[4x6]H)	110.3085	0.006	4	110.3085	0.000	4	110.3085	0.000	4	110.3085	0.000	4	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:3:4:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6x6]-4:C[3x6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[3x6]C[4x6]C[6])(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[3x6]C[4x6]C[6])(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.4840	0.000	1	109.4840	0.000	1	109.4840	0.000	1	109.4840	0.000	1	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:3:4:4:	4:	C[4x6]-4:C[5,6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[5,6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[5,6,6]C[3,5,6]C[5,5,6]C)(H)2	C[4x6](C[3x6]C[5,5,6,6]C[6]C)(C[6,6]C[3,6,6]C[6])(C[5,6,6]O[5,6]2C)(C[6,6]C[5,6,6]HH)	H(C[6,6]C[5,6,6]C[4x6]H)	C[6,6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[5,6,6]C[3,5,6]C[5,5,6]C)(H)2{1|C<3>,4|O<2>,7|C<4>}	C[4x6](C[3x6]C[5,5,6,6]C[6]C)(C[6,6]C[3,6,6]C[6])(C[5,6,6]O[5,6]2C)(C[6,6]C[5,6,6]HH){1|O<2>,2|C<3>,3|H<1>,6|C<4>}	H(C[6,6]C[5,6,6]C[4x6]H)	109.4520	0.073	7	109.4520	0.005	7	109.4520	0.005	7	109.6059	0.029	21	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:3:4:4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6a]-3:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6a]C[6,6])(C[6,6]C[3x6]HH)(H)2	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[5,3x6]C[6,6a]C[6,6])(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.7940	0.007	2	109.7940	0.000	2	109.7007	0.012	4	109.6059	0.029	21	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:3:4:4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6a]-3:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6a]C[6,6])(C[6,6]C[3x6]HO)(H)2	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[5,3x6]C[6,6a]C[6,6])(C[6,6]C[3x6]HO)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH){2|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.6075	0.040	2	109.6075	0.002	2	109.7007	0.012	4	109.6059	0.029	21	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:3:4:4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[3x6]-3:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2	C[4x6](C[6,6]C[5,6,6]C[6]C)(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]HH)2	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|H<1>,6|C<4>}	C[4x6](C[6,6]C[5,6,6]C[6]C)(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]HH)2{10|H<1>,4|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	109.6756	0.171	10	109.6756	0.029	10	109.6756	0.029	10	109.6059	0.029	21	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:2:4:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[3,3x6]-4:C[6,6]-4:O[6,6]-2:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3,3x6]O[6,6]C[6])(C[3x6]C[6,6]N[6,6]H)(H)2	C[4x6](C[3,3x6]C[3,6,6]C[3x6]C[3])(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(C[6]C[6]HH)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[3,3x6]O[6,6]C[6])(C[3x6]C[6,6]N[6,6]H)(H)2{1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[4x6](C[3,3x6]C[3,6,6]C[3x6]C[3])(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(C[6]C[6]HH){1|Br<1>,1|C<3>,1|N<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.7835	0.036	2	109.7835	0.001	2	109.7835	0.001	2	109.9464	0.023	31	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:2:4:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[3x6]C[6,6]N[6,6]H)(H)2	C[4x6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(C[6]C[6]HH)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[3x6]C[6,6]N[6,6]H)(H)2{1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[4x6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.7330	0.035	4	109.7330	0.001	4	109.9081	0.023	13	109.9464	0.023	31	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:2:4:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(H)2	C[4x6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(C[6]C[6]HH)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[4x6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(C[6]C[6]HH){2|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.9995	0.009	2	109.9513	0.009	7	109.9081	0.023	13	109.9464	0.023	31	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:2:4:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(H)2	C[4x6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(C[6]C[6]HH)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(H)2{4|H<1>,5|C<4>}	C[4x6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(C[6]C[6]HH){2|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.9320	0.110	5	109.9513	0.009	7	109.9081	0.023	13	109.9464	0.023	31	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:2:4:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(H)2	C[4x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(C[6]C[6]HH)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[4x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(C[6]C[6]HH){1|O<1>,2|C<4>,2|O<2>,5|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	110.1070	0.058	2	110.1070	0.003	2	109.9081	0.023	13	109.9464	0.023	31	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:2:4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[6,6]C[4x6]HH)(H)2	C[4x6](C[3x6]O[6,6]C[6]O)(C[6,6]C[6,6]HH)(O[6,6]C[3x6])(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[6,6]C[4x6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[4x6](C[3x6]O[6,6]C[6]O)(C[6,6]C[6,6]HH)(O[6,6]C[3x6])(C[6]C[6]HH){1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.9978	0.143	16	109.9978	0.020	16	109.9978	0.020	16	109.9464	0.023	31	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:3:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(C[6,6]C[4x6]O)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(C[6,6]C[4x6]O)(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.9525	0.005	2	109.9525	0.000	2	109.9525	0.000	2	110.0345	0.009	4	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:3:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[3x6]-3:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[3x6]C[4x6]O)(H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[3x6]C[4x6]O)(H){2|C<4>,7|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	110.1165	0.030	2	110.1165	0.001	2	110.1165	0.001	2	110.0345	0.009	4	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:3:2:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:O[6]-2:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]O[6])(C[6,6]C[3x6]CH)(H)2	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(O[6]C[6])	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]O[6])(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(O[6]C[6]){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	109.7930	0.007	2	109.7930	0.000	2	109.7930	0.000	2	109.7930	0.000	2	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:3:3:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	C[4x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(C[6]N[6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[4x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(C[6]N[6]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	110.1167	0.054	4	110.1167	0.003	4	110.1167	0.003	4	110.1167	0.003	4	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:3:4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	C[4x6](C[3x6]C[5,6]C[6,6]C)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[4x6](C[3x6]C[5,6]C[6,6]C)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.3240	0.000	1	109.3240	0.000	1	109.5318	0.036	13	109.5318	0.036	13	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:3:4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6]N[6]HH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6]N[6]HH){1|N<3>,1|S<4>,2|C<4>,6|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.7870	0.025	2	109.7870	0.001	2	109.5318	0.036	13	109.5318	0.036	13	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:3:4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|C<4>,2|C<3>,8|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.3120	0.000	1	109.3120	0.000	1	109.5318	0.036	13	109.5318	0.036	13	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:3:4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	C[4x6](C[3x6]C[6,6]Si[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6]C[6]CH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{1|Si<4>,1|C<3>,3|H<1>,4|C<4>}	C[4x6](C[3x6]C[6,6]Si[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6]C[6]CH){1|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.8070	0.000	1	109.8070	0.000	1	109.5318	0.036	13	109.5318	0.036	13	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:3:4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	C[4x6](C[3x6]C[6,6]Si[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[6]C[6]CH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{1|Si<4>,1|O<1>,2|H<1>,5|C<4>}	C[4x6](C[3x6]C[6,6]Si[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[6]C[6]CH){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.4540	0.038	4	109.4540	0.001	4	109.5318	0.036	13	109.5318	0.036	13	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:3:4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[4x6]HH)(H)2	C[4x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[4x6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[4x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.6855	0.029	2	109.5203	0.037	4	109.5318	0.036	13	109.5318	0.036	13	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:3:4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[4x6]HH)(H)2	C[4x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[4x6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[4x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(C[6]C[6]HH){4|C<4>,6|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.3550	0.014	2	109.5203	0.037	4	109.5318	0.036	13	109.5318	0.036	13	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[4x6]C[4x6]2H)(H)2	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2C)(C[4x6]C[4x6]2H)(H)2{4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|C<2>,4|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.5690	0.032	6	109.5690	0.001	6	109.8510	0.829	144	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	C[4x6](C[4x6]C[4x6]2C[6,6])(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{5|C<4>,5|H<1>}	C[4x6](C[4x6]C[4x6]2C[6,6])(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H){7|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.8958	2.073	6	109.8958	4.299	6	109.8510	0.829	144	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	C[4x6](C[4x6]C[4x6]2C[6,6])(C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|O<2>,4|C<4>,5|H<1>}	C[4x6](C[4x6]C[4x6]2C[6,6])(C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HH)(H){5|H<1>,7|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	109.6878	0.766	5	109.6878	0.586	5	109.8510	0.829	144	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	C[4x6](C[4x6]C[4x6]C[6,6]C)(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|C<2>,4|C<4>,5|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]C)(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H){1|C<2>,4|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.7857	0.034	7	109.8689	0.044	14	109.8510	0.829	144	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	C[4x6](C[4x6]C[4x6]C[6,6]C)(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|C<3>,4|C<4>,5|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]C)(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H){4|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	110.2453	0.053	3	109.8689	0.044	14	109.8510	0.829	144	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	C[4x6](C[4x6]C[4x6]C[6,6]C)(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{5|C<4>,5|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]C)(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H){5|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.7322	0.051	4	109.8689	0.044	14	109.8510	0.829	144	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|N<2>,4|C<4>,5|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H){1|N<2>,4|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.8132	0.050	4	109.7653	0.044	19	109.8510	0.829	144	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|N<2>,4|C<4>,5|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H){4|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.7675	0.025	2	109.7653	0.044	19	109.8510	0.829	144	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|N<4>,4|C<4>,5|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H){1|N<4>,4|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.7502	0.255	13	109.7653	0.044	19	109.8510	0.829	144	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]O)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|O<2>,4|C<4>,5|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]O)(C[6,6]C[3x6]HH)(H){4|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.7520	0.044	3	109.7520	0.002	3	109.8510	0.829	144	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]P)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|P<4>,4|C<4>,5|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]P)(C[6,6]C[3x6]HH)(H){4|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.6730	0.034	3	109.6730	0.001	3	109.8510	0.829	144	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|O<2>,3|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HH)(H){4|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.6728	0.478	5	109.6728	0.228	5	109.8510	0.829	144	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.6542	1.693	12	109.8856	1.297	67	109.8510	0.829	144	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	110.4515	1.655	12	109.8856	1.297	67	109.8510	0.829	144	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	110.3570	0.027	3	109.8856	1.297	67	109.8510	0.829	144	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|N<2>,4|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.7410	0.027	4	109.8856	1.297	67	109.8510	0.829	144	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|N<4>,4|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.8121	0.125	7	109.8856	1.297	67	109.8510	0.829	144	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.7930	0.045	4	109.8856	1.297	67	109.8510	0.829	144	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|P<4>,4|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.8140	0.056	4	109.8856	1.297	67	109.8510	0.829	144	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){4|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.7103	0.945	21	109.8856	1.297	67	109.8510	0.829	144	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N)(C[4x6]C[4x6]2H)(H)2	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2N)(C[4x6]C[4x6]2H)(H)2{4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|N<3>,4|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.7653	0.092	11	109.7653	0.008	11	109.8510	0.829	144	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[4x6]2H)(H)2	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[4x6]2H)(H)2{4|C<4>,4|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(H){1|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	110.6438	0.767	5	110.6438	0.589	5	109.8510	0.829	144	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	C[4x6](C[3x6]C[5,4x6]C[6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[4x6](C[3x6]C[5,4x6]C[6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|O<2>,2|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.5578	0.045	5	109.5002	0.006	9	109.6375	1.379	11	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	C[4x6](C[3x6]C[5,4x6]C[6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[4x6](C[3x6]C[5,4x6]C[6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|O<1>,6|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.4460	0.025	2	109.5002	0.006	9	109.6375	1.379	11	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	C[4x6](C[3x6]C[5,4x6]C[6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[4x6](C[3x6]C[5,4x6]C[6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|C<3>,5|C<4>,8|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.4105	0.021	2	109.5002	0.006	9	109.6375	1.379	11	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	C[4x6](C[3x6]N[5,6,6]C[3x6]H)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[4x6](C[3x6]N[5,6,6]C[3x6]H)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	110.2550	3.579	2	110.2550	12.812	2	109.6375	1.379	11	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[4,3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[4,3x6]C[3x6]H)(C[3x6]C[6,6]2H)(H)2	C[4x6](C[4,3x6]C[4,3x6]C[4,6]C)(C[3x6]C[4x6]HH)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[4,3x6]C[3x6]H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	C[4x6](C[4,3x6]C[4,3x6]C[4,6]C)(C[3x6]C[4x6]HH)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.4012	0.315	6	109.4012	0.099	6	109.4120	0.064	10	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[4,3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[4,3x6]C[3x6]H)(C[3x6]C[6,6]2H)(H)2	C[4x6](C[4,3x6]C[4,3x6]C[4,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[4,3x6]C[3x6]H)(C[3x6]C[6,6]2H)(H)2{3|C<4>,7|H<1>}	C[4x6](C[4,3x6]C[4,3x6]C[4,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.4282	0.167	4	109.4282	0.028	4	109.4120	0.064	10	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[5x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[4x6]C[5x6]H)(C[3x6]C[6,6]2C)(H)2	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[4x6]C[5x6]H)(C[3x6]C[6,6]2C)(H)2{4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6,6]C[3x6]HH)(H){1|C<3>,4|H<1>,6|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	109.5673	0.144	7	109.5673	0.021	7	110.0760	1.705	26	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[5x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[4x6]C[5x6]H)(C[3x6]C[6,6]2C)(H)2	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[5x6]C[6x6]H)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[4x6]C[5x6]H)(C[3x6]C[6,6]2C)(H)2{4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[5x6]C[6x6]H)(C[6,6]C[3x6]HH)(H){1|C<3>,4|H<1>,6|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	109.7508	0.790	4	109.7508	0.624	4	110.0760	1.705	26	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[5x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[4x6]C[5x6]H)(C[3x6]C[6,6]2H)(H)2	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[4x6]C[5x6]H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[4x6]C[6x6]H)(C[6,6]C[3x6]HH)(H){5|H<1>,6|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	110.1466	1.552	7	110.1466	2.408	7	110.0760	1.705	26	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[5x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[4x6]C[5x6]H)(C[3x6]C[6,6]2H)(H)2	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[5x6]C[6x6]H)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[4x6]C[5x6]H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[5x6]C[6x6]H)(C[6,6]C[3x6]HH)(H){5|H<1>,6|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	111.0640	1.463	4	111.0640	2.139	4	110.0760	1.705	26	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[5x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[4x6]C[5x6]H)(C[3x6]C[6,6]2P)(H)2	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[5x6]C[6x6]H)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[4x6]C[5x6]H)(C[3x6]C[6,6]2P)(H)2{4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[5x6]C[5x6]C[6x6]H)(C[6,6]C[3x6]HH)(H){1|P<4>,4|H<1>,6|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	110.1803	2.124	4	110.1803	4.512	4	110.0760	1.705	26	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[4x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	C[4x6](C[4x6]C[5,3x6]C[3x6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[4x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[4x6](C[4x6]C[5,3x6]C[3x6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|C<3>,5|C<4>,8|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	108.0680	2.380	2	108.0680	5.665	2	108.0680	5.665	2	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]2H)(C[3x6]C[6,6]2H)(H)2	C[4x6](C[5,3x6]C[5,3x6]C[5,6]H)2(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[5,3x6]2H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	C[4x6](C[5,3x6]C[5,3x6]C[5,6]H)2(C[6,6]C[3x6]HH)(H){4|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.5280	0.000	1	109.5280	0.000	1	109.5280	0.000	1	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[5,6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	C[4x6](C[5,6,6]C[5,4x6]N[5]H)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[5,6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[4x6](C[5,6,6]C[5,4x6]N[5]H)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|O<1>,1|S<4>,4|H<1>,6|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	109.6070	0.013	2	109.6070	0.000	2	109.7235	0.018	4	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[5,6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	C[4x6](C[5,6,6]C[5,4x6]O[5]H)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[5,6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[4x6](C[5,6,6]C[5,4x6]O[5]H)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.8400	0.014	2	109.8400	0.000	2	109.7235	0.018	4	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[3x6]C[4x6]C[6]O)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|H<1>,3|O<2>,4|C<4>}	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[3x6]C[4x6]C[6]O)(C[6,6]C[3x6]HH)(H){1|O<1>,6|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.6897	0.035	3	109.6897	0.001	3	109.6897	0.001	3	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[6,6]C[6x6]H)(C[3x6]C[6,6]2C)(H)2	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[6,6]C[6x6]H)(C[3x6]C[6,6]2C)(H)2{4|C<4>,6|H<1>}	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)2(H){1|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.6132	0.152	4	109.6132	0.023	4	109.5786	0.011	12	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(C[6,6]C[4x6]HO)(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,3|H<1>,3|O<2>}	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(C[6,6]C[4x6]HO)(H){1|O<1>,4|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	109.5403	0.015	4	109.5403	0.000	4	109.5786	0.011	12	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)2(H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)2(H){1|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.5823	0.112	4	109.5823	0.012	4	109.5786	0.011	12	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[4x6]2H)2(H)2	C[4x6](C[4x6]C[5x6]C[6,6]H)2(C[6,6]C[4x6]HH)(H)	H(C[6,6]C[4x6]2H)	C[6,6](C[4x6]C[4x6]2H)2(H)2{4|H<1>,6|C<4>}	C[4x6](C[4x6]C[5x6]C[6,6]H)2(C[6,6]C[4x6]HH)(H){4|C<4>,7|H<1>}	H(C[6,6]C[4x6]2H)	109.5618	0.396	4	109.5618	0.157	4	109.5618	0.157	4	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2H)(C[6,6]C[3x6]HH)(H)2	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]C[6,6]O[6]H)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]2H)(C[6,6]C[3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]C[6,6]O[6]H)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,1|I<1>,7|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.6505	0.022	2	109.6505	0.000	2	109.6505	0.000	2	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	110.3770	0.020	2	110.3770	0.000	2	110.1950	0.021	12	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CO)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CO)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.9600	0.000	1	109.9600	0.000	1	110.1950	0.021	12	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	110.2580	0.030	2	110.1680	0.007	6	110.1950	0.021	12	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	110.1675	0.033	2	110.1680	0.007	6	110.1950	0.021	12	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	110.0785	0.008	2	110.1680	0.007	6	110.1950	0.021	12	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HO)(H)2	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HO)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	110.3170	0.037	2	110.3170	0.001	2	110.1950	0.021	12	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[5,6]N[6]H)(H)2	C[4x6](C[4x6]C[5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[5,6]N[6]H)(H)2{1|H<1>,1|N<2>,2|C<3>,3|C<4>}	C[4x6](C[4x6]C[5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.9840	0.000	1	109.9840	0.000	1	110.1950	0.021	12	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[6,6]C[5x6]HH)(H)2	C[4x6](C[6x6]C[5x6]C[6x6]H)(C[3x6]C[5x6]BrH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[6,6]C[5x6]HH)(H)2{1|Br<1>,3|C<4>,3|H<1>}	C[4x6](C[6x6]C[5x6]C[6x6]H)(C[3x6]C[5x6]BrH)(C[6,6]C[6,6]HH)(H){4|C<4>,5|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	110.1217	0.051	4	110.1217	0.003	4	110.1217	0.003	4	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6x6]C[5x6]2C[6,6])(C[4x6]C[4x6]2H)(H)2	C[4x6](C[4x6]C[5x6]C[6,6]H)2(C[6,6]C[6x6]HH)(H)	H(C[6,6]C[4x6]C[6x6]H)	C[6,6](C[6x6]C[5x6]2C[6,6])(C[4x6]C[4x6]2H)(H)2{6|H<1>,7|C<4>}	C[4x6](C[4x6]C[5x6]C[6,6]H)2(C[6,6]C[6x6]HH)(H){5|C<4>,6|H<1>}	H(C[6,6]C[4x6]C[6x6]H)	109.1658	1.693	6	109.1658	2.866	6	109.1658	2.866	6	109.8116	0.884	241	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:C-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2C)(H)2	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(CC)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2C)(H)2{4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(CC){4|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.5617	0.013	3	109.5617	0.000	3	109.5617	0.000	3	109.6883	0.059	15	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:N-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2N)(H)2	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(NN)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2N)(H)2{4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(NN){4|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.6535	0.031	4	109.6535	0.001	4	109.6535	0.001	4	109.6883	0.059	15	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2O)(H)2	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(OH)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2O)(H)2{4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(OH){4|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.5440	0.014	2	109.5440	0.000	2	109.5440	0.000	2	109.6883	0.059	15	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:2:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:O[6,6]-2:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[3x6]O[6,6]2C)(H)2	C[4x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3x6]HH)(C[6]C[6,6a]HH)(O[6,6]C[3x6])	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[3x6]O[6,6]2C)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[4x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3x6]HH)(C[6]C[6,6a]HH)(O[6,6]C[3x6]){1|O<1>,2|C<3>,3|C<4>,3|O<2>}	H(C[6,6]C[3x6]C[4x6]H)	110.2590	0.037	2	110.2590	0.001	2	110.2590	0.001	2	109.6883	0.059	15	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:2:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6x6]-4:C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6x6]O)(C[3x6]C[6,6]2H)(H)2	C[4x6](C[3x6]C[5,4x6]C[6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(OH)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[3x6]C[6x6]O)(C[3x6]C[6,6]2H)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[4x6](C[3x6]C[5,4x6]C[6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(OH){1|C<3>,5|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.4980	0.010	2	109.4980	0.000	2	109.4980	0.000	2	109.6883	0.059	15	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:2:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:O[6,6]-2:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6]C[4x6]HH)(H)2	C[4x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6]C[4x6]HH)(H)2{3|C<3>,5|C<4>}	C[4x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6]){1|C<3>,2|O<1>,4|C<4>,5|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.7115	0.053	2	109.7115	0.003	2	109.7115	0.003	2	109.6883	0.059	15	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2C)(H)2	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(CNO)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2C)(H)2{4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(CNO){4|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	108.9735	0.008	2	108.9735	0.000	2	108.9735	0.000	2	108.9520	0.002	5	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:3:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CO)(H)2	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]S[6,6]HH)(C[6]C[6]O)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CO)(H)2{1|O<1>,1|S<3>,3|H<1>,4|C<4>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]S[6,6]HH)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	108.9377	0.059	3	108.9377	0.004	3	108.9377	0.004	3	108.9520	0.002	5	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[4x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[4x6]3)(H)2	C[4x6](C[4x6]C[4x6]2C[6,6])(C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[4x6]3)(H)2{4|H<1>,7|C<4>}	C[4x6](C[4x6]C[4x6]2C[6,6])(C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH){11|H<1>,1|O<2>,8|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	109.4636	0.783	5	109.4636	0.614	5	109.4636	0.614	5	109.4572	0.195	104	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2C)(H)2	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(CHHO)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2C)(H)2{4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(CHHO){4|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.4180	0.030	2	109.4180	0.001	2	109.4180	0.001	2	109.4572	0.195	104	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:N-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2N)(H)2	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(NH3)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2N)(H)2{1|N<4>,4|C<4>,5|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(NH3){4|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.6570	0.013	2	109.6570	0.000	2	109.6541	0.041	10	109.4572	0.195	104	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:N-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2N)(H)2	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(NPtHH)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2N)(H)2{1|N<4>,4|C<4>,5|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(NPtHH){4|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.5555	0.029	4	109.5555	0.001	4	109.6541	0.041	10	109.4572	0.195	104	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:N-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2N)(H)2	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(NCCH)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2N)(H)2{4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(NCCH){4|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.7512	0.308	4	109.7512	0.095	4	109.6541	0.041	10	109.4572	0.195	104	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:P-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2P)(H)2	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(PCl2O)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2P)(H)2{4|C<4>,6|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(PCl2O){4|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.5700	0.014	2	109.5700	0.000	2	109.5700	0.000	2	109.4572	0.195	104	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[6,6]2H)(H)2	C[4x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3x6]HH)2(C[6]C[6,6]HH)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[6,6]2H)(H)2{4|C<4>,9|H<1>}	C[4x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3x6]HH)2(C[6]C[6,6]HH){2|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	109.4250	0.009	4	109.4250	0.000	4	109.4250	0.000	4	109.4572	0.195	104	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[3x6]C[5,4x6]O[6]O)(H)2	C[4x6](C[5,3x6]C[5,5,3x6]N[5,6]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6]C[6]HH)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[3x6]C[5,4x6]O[6]O)(H)2{1|C<3>,2|N<3>,3|C<4>,5|H<1>}	C[4x6](C[5,3x6]C[5,5,3x6]N[5,6]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	109.0675	0.053	2	109.0675	0.003	2	109.0675	0.003	2	109.4572	0.195	104	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,5,3x6]C[5]O)(H)2	C[4x6](C[5,3x6]C[3x5,6,6]N[5,6]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6]C[6]HH)	H(C[6,6]C[5,6,6]C[4x6]H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,5,3x6]C[5]O)(H)2{1|O<1>,2|N<3>,4|C<4>,5|H<1>}	C[4x6](C[5,3x6]C[3x5,6,6]N[5,6]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[4x6]H)	107.6920	0.099	2	107.6920	0.010	2	107.6920	0.010	2	109.4572	0.195	104	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C)(C[6,6]C[3x6]HH)(H)2	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]C[6,6]C[6]O)(C[6,6]C[6,6]HH)(CH3)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]2C)(C[6,6]C[3x6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]C[6,6]C[6]O)(C[6,6]C[6,6]HH)(CH3){5|C<4>,7|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.1370	0.011	2	109.1370	0.000	2	109.3358	0.042	8	109.4572	0.195	104	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C)(C[6,6]C[3x6]HH)(H)2	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]O[6,6]C[6]C)(C[6,6]C[6,6]HH)(CH3)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]2C)(C[6,6]C[3x6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]O[6,6]C[6]C)(C[6,6]C[6,6]HH)(CH3){1|Br<1>,1|C<3>,1|C<4>,6|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.4020	0.193	6	109.4020	0.037	6	109.3358	0.042	8	109.4572	0.195	104	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2{2|O<2>,4|C<4>,4|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.5780	0.008	2	109.5780	0.000	2	109.5780	0.000	2	109.4572	0.195	104	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CO)(H)2	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CO)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	109.1602	0.043	4	109.2102	0.005	10	109.4415	0.174	32	109.4572	0.195	104	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CO)(H)2	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CO)(H)2{4|C<4>,6|H<1>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH){1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.2435	0.061	6	109.2102	0.005	10	109.4415	0.174	32	109.4572	0.195	104	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	C[4x6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[4x6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[6]C[6]HH){1|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.6000	0.000	1	109.6000	0.000	1	109.4415	0.174	32	109.4572	0.195	104	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH){1|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.4895	0.005	2	109.4644	0.004	8	109.4415	0.174	32	109.4572	0.195	104	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{4|C<4>,6|H<1>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH){1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.4560	0.075	6	109.4644	0.004	8	109.4415	0.174	32	109.4572	0.195	104	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	C[4x6](C[3x6]C[6,6]2O)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{2|O<2>,4|C<4>,4|H<1>}	C[4x6](C[3x6]C[6,6]2O)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[6]C[6]HH){2|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.4003	0.023	3	109.4003	0.001	3	109.4415	0.174	32	109.4572	0.195	104	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[6]C[6]HH){1|C<3>,2|C<4>,8|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.4920	0.035	2	109.4920	0.001	2	109.4415	0.174	32	109.4572	0.195	104	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH){1|C<4>,2|C<3>,8|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.6965	1.911	2	109.6965	3.653	2	109.4415	0.174	32	109.4572	0.195	104	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]O[6]HH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]O[6]HH){1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.6810	0.000	1	109.6810	0.000	1	109.4415	0.174	32	109.4572	0.195	104	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,4x6]HH)(H)2	C[4x6](C[3x6]C[5,3x6]C[5,6]C)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)(C[6]C[5,6]HH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,4x6]HH)(H)2{1|O<2>,4|H<1>,5|C<4>}	C[4x6](C[3x6]C[5,3x6]C[5,6]C)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)(C[6]C[5,6]HH){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	110.0245	0.005	2	110.0245	0.000	2	109.4415	0.174	32	109.4572	0.195	104	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[6x6]HH)(H)2	C[4x6](C[3x6]C[4x6]C[6]O)(C[6,6]C[4x6]HO)(C[6,6]C[6,6]HH)(C[6]C[6]CC)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[6x6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,6|C<4>}	C[4x6](C[3x6]C[4x6]C[6]O)(C[6,6]C[4x6]HO)(C[6,6]C[6,6]HH)(C[6]C[6]CC){4|C<4>,8|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.0770	0.000	1	109.0770	0.000	1	109.4415	0.174	32	109.4572	0.195	104	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[6x6]HH)(H)2	C[4x6](C[3x6]C[4x6]C[6]O)(C[6,6]C[4x6]HO)(C[6,6]C[6,6]HH)(C[6]C[6]CH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[6x6]HH)(H)2{1|C<2>,1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[4x6](C[3x6]C[4x6]C[6]O)(C[6,6]C[4x6]HO)(C[6,6]C[6,6]HH)(C[6]C[6]CH){4|C<4>,8|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.6625	0.011	2	109.6625	0.000	2	109.4415	0.174	32	109.4572	0.195	104	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[4x6]C)(C[6,6]C[3x6]HH)(H)2	C[4x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(CH3)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[4x6]C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[4x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.4108	0.021	4	109.4007	0.002	19	109.4007	0.002	19	109.4572	0.195	104	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[4x6]C)(C[6,6]C[3x6]HH)(H)2	C[4x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(CH3)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[4x6]C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[4x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(CH3){1|O<1>,4|C<4>,7|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.4250	0.038	4	109.4007	0.002	19	109.4007	0.002	19	109.4572	0.195	104	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[4x6]C)(C[6,6]C[3x6]HH)(H)2	C[4x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(CH3)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[4x6]C)(C[6,6]C[3x6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[4x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.3883	0.051	11	109.4007	0.002	19	109.4007	0.002	19	109.4572	0.195	104	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.8750	0.071	4	109.8750	0.005	4	109.8750	0.005	4	109.4572	0.195	104	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[5,3x6]CH)(H)2	C[4x6](C[5,3x6]C[5,5,6,6]N[5,6]H)(C[6,6]C[6,6]HH)2(C[6]C[5,6]HH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[5,3x6]CH)(H)2{2|N<3>,3|C<4>,5|H<1>}	C[4x6](C[5,3x6]C[5,5,6,6]N[5,6]H)(C[6,6]C[6,6]HH)2(C[6]C[5,6]HH){3|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.1765	0.070	2	109.1765	0.005	2	109.7013	0.263	12	109.4572	0.195	104	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[5,3x6]CH)(H)2	C[4x6](C[5,3x6]C[5,5,6,6]N[5,6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[5,3x6]CH)(H)2{2|N<3>,3|C<4>,5|H<1>}	C[4x6](C[5,3x6]C[5,5,6,6]N[5,6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH){2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.1220	0.041	2	109.1220	0.002	2	109.7013	0.263	12	109.4572	0.195	104	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[5,3x6]HH)(H)2	C[4x6](C[5,3x6]C[5,5,6,6]N[5,6]H)(C[6,6]C[6,6]HH)2(C[6]C[5,6]HH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[5,3x6]HH)(H)2{2|N<3>,3|C<4>,5|H<1>}	C[4x6](C[5,3x6]C[5,5,6,6]N[5,6]H)(C[6,6]C[6,6]HH)2(C[6]C[5,6]HH){3|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	110.1195	0.005	2	110.1195	0.000	2	109.7013	0.263	12	109.4572	0.195	104	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[5,3x6]HH)(H)2	C[4x6](C[5,3x6]C[5,5,6,6]N[5,6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[5,3x6]HH)(H)2{2|N<3>,3|C<4>,5|H<1>}	C[4x6](C[5,3x6]C[5,5,6,6]N[5,6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH){2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	110.2405	0.197	2	110.2405	0.039	2	109.7013	0.263	12	109.4572	0.195	104	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[5,4x6]HH)(H)2	C[4x6](C[5,3x6]C[5,5,3x6]N[5,6]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[5,4x6]HH)(H)2{2|N<3>,3|C<4>,5|H<1>}	C[4x6](C[5,3x6]C[5,5,3x6]N[5,6]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.8265	0.016	2	109.8265	0.000	2	109.7013	0.263	12	109.4572	0.195	104	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[5,5,3x6]HH)(H)2	C[4x6](C[5,3x6]C[3x5,6,6]N[5,6]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[5,5,3x6]HH)(H)2{2|N<3>,3|C<4>,5|H<1>}	C[4x6](C[5,3x6]C[3x5,6,6]N[5,6]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.7230	0.815	2	109.7230	0.664	2	109.7013	0.263	12	109.4572	0.195	104	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:2:1:	4:4:2:2:	4:	C[4x6]-4:C[3x6]-4:O-2:H-1:	C[5,4x6]-4:C[6,6]-4:O[6,6]-2:O[6]-2:	C[6,6]-4:	C[6,6](C[4x6]C[5,4x6]O[6,6]O[6])(C[3x6]C[4x6]C[6]H)(OH)(H)	C[4x6](C[5,4x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(O[6]C[6])	H(C[6,6]C[3x6]C[4x6]O)	C[6,6](C[4x6]C[5,4x6]O[6,6]O[6])(C[3x6]C[4x6]C[6]H)(OH)(H){2|C<3>,7|C<4>}	C[4x6](C[5,4x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[3x6]C[4x6]O)	104.8260	1.376	2	104.8260	1.893	2	104.8260	1.893	2	106.1820	6.463	3	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:2:1:	4:4:2:2:	4:	C[4x6]-4:C[3x6]-4:O-2:H-1:	C[5,5x6]-4:C[6,6]-4:O[3x6]-2:O-2:	C[6,6]-4:	C[6,6](C[4x6]C[5,5x6]O[3x6]O)(C[3x6]C[5x6]C[6]H)(OH)(H)	C[4x6](C[5,5x6]C[5,3x6]C[4x6]C[5])(C[6,6]C[3x6]HO)(O[3x6]C[4x6])(OH)	H(C[6,6]C[3x6]C[4x6]O)	C[6,6](C[4x6]C[5,5x6]O[3x6]O)(C[3x6]C[5x6]C[6]H)(OH)(H){1|C<3>,7|C<4>}	C[4x6](C[5,5x6]C[5,3x6]C[4x6]C[5])(C[6,6]C[3x6]HO)(O[3x6]C[4x6])(OH){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[4x6]O)	108.8940	0.000	1	108.8940	0.000	1	108.8940	0.000	1	106.1820	6.463	3	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:2:1:	4:4:3:1:	4:	C[4x6]-4:C[6,6]-4:O-2:H-1:	C[4x6]-4:C[6,6]-4:C[3x6]-3:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(OS)(H)	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HO)(C[3x6]C[4x6]O)(H)	H(C[6,6]C[4x6]C[6,6]O)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(OS)(H){1|O<1>,2|H<1>,3|C<4>}	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HO)(C[3x6]C[4x6]O)(H){2|C<4>,7|H<1>}	H(C[6,6]C[4x6]C[6,6]O)	110.0910	0.000	1	110.0910	0.000	1	110.0910	0.000	1	110.0910	0.000	1	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:2:1:	4:4:3:3:	4:	C[4x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OC)(H)	C[4x6](C[3x6]C[6,6]O[6]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6]C[6,6a]O)	H(C[6,6]C[4x6]C[6,6]O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OC)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[4x6](C[3x6]C[6,6]O[6]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6]C[6,6a]O){1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[4x6]C[6,6]O)	109.3710	0.000	1	109.3710	0.000	1	109.4435	0.011	2	109.4435	0.011	2	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:2:1:	4:4:3:3:	4:	C[4x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OH)(H)	C[4x6](C[3x6]C[6,6]O[6]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6]C[6,6a]O)	H(C[6,6]C[4x6]C[6,6]O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[4x6](C[3x6]C[6,6]O[6]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6]C[6,6a]O){1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[4x6]C[6,6]O)	109.5160	0.000	1	109.5160	0.000	1	109.4435	0.011	2	109.4435	0.011	2	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:2:1:	4:4:3:4:	4:	C[4x6]-4:C[3x6]-4:O-2:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[3x6]C[3x6]C[6,6]H)(OH)(H)	C[4x6](C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HO)(C[6,6]C[6]2)(C[6]O[6]HH)	H(C[6,6]C[3x6]C[4x6]O)	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[3x6]C[3x6]C[6,6]H)(OH)(H){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[4x6](C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HO)(C[6,6]C[6]2)(C[6]O[6]HH){2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[4x6]O)	108.9340	0.000	1	108.2800	0.855	2	108.2800	0.855	2	108.2800	0.855	2	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:2:1:	4:4:3:4:	4:	C[4x6]-4:C[3x6]-4:O-2:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[3x6]C[3x6]C[6,6]H)(OH)(H)	C[4x6](C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HO)(C[6,6]C[6]2)(C[6]O[6]HH)	H(C[6,6]C[3x6]C[4x6]O)	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[3x6]C[3x6]C[6,6]H)(OH)(H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[4x6](C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HO)(C[6,6]C[6]2)(C[6]O[6]HH){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[4x6]O)	107.6260	0.000	1	108.2800	0.855	2	108.2800	0.855	2	108.2800	0.855	2	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[4x6]-4:O-2:H-1:	C[5x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[4x6]C[5x6]C[6,6]H)(OC)(H)	C[4x6](C[5x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HO)(C[6,6]C[6]2C)(H)	H(C[6,6]C[3x6]C[4x6]O)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[4x6]C[5x6]C[6,6]H)(OC)(H){1|H<1>,2|C<3>,6|C<4>}	C[4x6](C[5x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HO)(C[6,6]C[6]2C)(H){1|C<3>,1|N<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[4x6]O)	108.5720	0.000	1	108.5720	0.000	1	108.5720	0.000	1	108.4637	0.297	3	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:2:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:O-2:H-1:	C[6x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[4x6]C[6,6]C[6x6]H)(OH)(H)	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(C[6,6]C[4x6]HO)(H)	H(C[6,6]C[4x6]2O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[4x6]C[6,6]C[6x6]H)(OH)(H){1|C<3>,1|O<2>,4|H<1>,7|C<4>}	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(C[6,6]C[4x6]HO)(H){1|O<1>,4|H<1>,5|C<4>}	H(C[6,6]C[4x6]2O)	107.8730	0.000	1	107.8730	0.000	1	108.4095	0.576	2	108.4637	0.297	3	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:2:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:O-2:H-1:	C[6x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[4x6]C[6,6]C[6x6]H)(OSi)(H)	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(C[6,6]C[4x6]HO)(H)	H(C[6,6]C[4x6]2O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[4x6]C[6,6]C[6x6]H)(OSi)(H){1|C<2>,1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(C[6,6]C[4x6]HO)(H){1|O<1>,4|H<1>,5|C<4>}	H(C[6,6]C[4x6]2O)	108.9460	0.000	1	108.9460	0.000	1	108.4095	0.576	2	108.4637	0.297	3	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:2:1:	4:4:4:3:	4:	C[4x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OH)(H)	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HO)2(C[6]C[6]O)	H(C[6,6]C[4x6]C[6,6]O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HO)2(C[6]C[6]O){1|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[4x6]C[6,6]O)	109.8100	0.000	1	109.8100	0.000	1	109.8100	0.000	1	109.8100	0.000	1	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:2:1:	4:4:4:4:	4:	C[4x6]-4:C[4x6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[4x6]C[6,6]C[6x6]H)(OH)(H)	C[4x6](C[3x6]C[4x6]C[6]O)(C[6,6]C[4x6]HO)(C[6,6]C[6,6]HH)(C[6]C[6]CC)	H(C[6,6]C[4x6]2O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[4x6]C[6,6]C[6x6]H)(OH)(H){1|C<3>,1|O<2>,4|H<1>,7|C<4>}	C[4x6](C[3x6]C[4x6]C[6]O)(C[6,6]C[4x6]HO)(C[6,6]C[6,6]HH)(C[6]C[6]CC){4|C<4>,8|H<1>}	H(C[6,6]C[4x6]2O)	107.8680	0.000	1	107.8680	0.000	1	108.4020	0.570	2	107.1973	2.479	6	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:2:1:	4:4:4:4:	4:	C[4x6]-4:C[4x6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[4x6]C[6,6]C[6x6]H)(OSi)(H)	C[4x6](C[3x6]C[4x6]C[6]O)(C[6,6]C[4x6]HO)(C[6,6]C[6,6]HH)(C[6]C[6]CH)	H(C[6,6]C[4x6]2O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[4x6]C[6,6]C[6x6]H)(OSi)(H){1|C<2>,1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[4x6](C[3x6]C[4x6]C[6]O)(C[6,6]C[4x6]HO)(C[6,6]C[6,6]HH)(C[6]C[6]CH){4|C<4>,8|H<1>}	H(C[6,6]C[4x6]2O)	108.9360	0.000	1	108.9360	0.000	1	108.4020	0.570	2	107.1973	2.479	6	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:2:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OH)(H)	C[4x6](C[3x6]C[6,6]2O)(C[6,6]C[6,6]HO)2(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OH)(H){2|O<2>,4|C<4>,4|H<1>}	C[4x6](C[3x6]C[6,6]2O)(C[6,6]C[6,6]HO)2(C[6]C[6]HH){2|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[4x6]C[6,6]O)	108.9470	0.000	1	108.9470	0.000	1	106.5950	2.491	4	107.1973	2.479	6	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:2:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]OO)(OH)(H)	C[4x6](C[3x6]C[6,6]2O)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]OO)(OH)(H){1|O<2>,4|C<4>,5|H<1>}	C[4x6](C[3x6]C[6,6]2O)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[6]C[6]HH){2|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[4x6]C[6,6]O)	105.9295	0.112	2	105.9295	0.013	2	106.5950	2.491	4	107.1973	2.479	6	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:2:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]OO)(OH)(H)	C[4x6](C[3x6]C[6,6]2O)(C[6,6]C[6,6]HO)2(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]OO)(OH)(H){2|O<2>,4|C<4>,4|H<1>}	C[4x6](C[3x6]C[6,6]2O)(C[6,6]C[6,6]HO)2(C[6]C[6]HH){2|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[4x6]C[6,6]O)	105.5740	0.000	1	105.5740	0.000	1	106.5950	2.491	4	107.1973	2.479	6	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:3:1:	3:3:4:4:	4:	C[4x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-3:C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CCO)(H)	C[4x6](C[3x6]C[6,6]C[6])(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]CH)(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]C)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CCO)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[4x6](C[3x6]C[6,6]C[6])(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]CH)(C[6]C[6]HH){1|Br<1>,2|C<4>,2|O<2>,6|H<1>}	H(C[6,6]C[4x6]C[6,6]C)	108.5190	0.000	1	108.5190	0.000	1	108.5190	0.000	1	108.5190	0.000	1	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:3:1:	3:4:3:4:	4:	C[4x6]-4:C[6]-4:C[6]-3:H-1:	C[3x6]-3:C[6,6]-4:N[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[4x6](C[3x6]C[6,6]C[6])(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6]2)	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){2|C<3>,3|C<4>,6|H<1>}	C[4x6](C[3x6]C[6,6]C[6])(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|I<1>,2|O<1>,4|C<4>,6|H<1>}	H(C[6,6]C[4x6]C[6]2)	105.3300	0.000	1	105.3300	0.000	1	105.3300	0.000	1	105.3300	0.000	1	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:3:1:	4:3:3:4:	4:	C[4x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[3x6]-3:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	C[4x6](C[6,6]C[6,6]C[6a]H)(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]C[6a])	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[4x6](C[6,6]C[6,6]C[6a]H)(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH){2|C<3>,2|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[4x6]C[6,6]C[6a])	106.6553	0.171	3	106.6553	0.029	3	106.6553	0.029	3	106.6553	0.029	3	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:3:1:	4:4:2:2:	4:	C[4x6]-4:C[6]-4:C[6]-3:H-1:	C[5x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[6,6]-4:	C[6,6](C[4x6]C[5x6]O[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[4x6](C[5x6]C[4x6]C[6,6]C[6])(C[6,6]C[6]2H)(O[6,6]C[4x6])(OH)	H(C[6,6]C[4x6]C[6]2)	C[6,6](C[4x6]C[5x6]O[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]H)(H){3|H<1>,5|C<4>}	C[4x6](C[5x6]C[4x6]C[6,6]C[6])(C[6,6]C[6]2H)(O[6,6]C[4x6])(OH){1|O<2>,5|C<4>,7|H<1>}	H(C[6,6]C[4x6]C[6]2)	109.2320	0.000	1	109.2320	0.000	1	109.2320	0.000	1	109.2320	0.000	1	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:3:1:	4:4:3:3:	4:	C[4x6]-4:C[5,6,6]-4:C-3:H-1:	C[5,6]-4:C[6,6]-4:C[3x6]-3:C[6,6]-3:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[5,6]C[6,6])(C[5,6,6]C[5,3x6]C[5]H)(CCH)(H)	C[4x6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6,6]CH)(C[3x6]C[6,6]C[6])(C[6,6]C[5,6,6]O)	H(C[6,6]C[5,6,6]C[4x6]C)	C[6,6](C[4x6]C[3x6]C[5,6]C[6,6])(C[5,6,6]C[5,3x6]C[5]H)(CCH)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[4x6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6,6]CH)(C[3x6]C[6,6]C[6])(C[6,6]C[5,6,6]O){2|C<3>,3|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[4x6]C)	107.8670	0.000	1	107.8670	0.000	1	107.8670	0.000	1	107.8670	0.000	1	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:3:1:	4:4:3:4:	4:	C[4x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(COO)(H)	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]C)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(COO)(H){1|C<3>,3|C<4>,5|H<1>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6]C[6]HH){1|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[4x6]C[6,6]C)	108.0780	0.083	3	108.0780	0.007	3	107.7996	0.367	5	106.6631	2.031	9	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:3:1:	4:4:3:4:	4:	C[4x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(COO)(H)	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]C)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(COO)(H){1|C<3>,3|C<4>,5|H<1>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6]C[6]HH){5|C<4>,6|H<1>}	H(C[6,6]C[4x6]C[6,6]C)	107.3820	0.933	2	107.3820	0.871	2	107.7996	0.367	5	106.6631	2.031	9	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:3:1:	4:4:3:4:	4:	C[4x6]-4:C[6]-4:C[6]-3:H-1:	C[3x6]-4:C[6,6]-4:N[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6]2)	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,4|C<4>,7|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[6]C[6]HH){2|O<1>,5|C<4>,8|H<1>}	H(C[6,6]C[4x6]C[6]2)	105.4695	0.120	2	105.4695	0.014	2	105.2425	0.083	4	106.6631	2.031	9	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:3:1:	4:4:3:4:	4:	C[4x6]-4:C[6]-4:C[6]-3:H-1:	C[3x6]-4:C[6,6]-4:N[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[4x6](C[3x6]C[6,6]C[6]O)(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6]2)	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<2>,5|C<4>,6|H<1>}	C[4x6](C[3x6]C[6,6]C[6]O)(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[6]C[6]HH){10|H<1>,1|O<1>,5|C<4>}	H(C[6,6]C[4x6]C[6]2)	105.1360	0.000	1	105.1360	0.000	1	105.2425	0.083	4	106.6631	2.031	9	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:3:1:	4:4:3:4:	4:	C[4x6]-4:C[6]-4:C[6]-3:H-1:	C[3x6]-4:C[6,6]-4:N[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[4x6](C[3x6]C[6,6]O[6]C)(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6]2)	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[4x6](C[3x6]C[6,6]O[6]C)(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,2|O<1>,4|C<4>,6|H<1>}	H(C[6,6]C[4x6]C[6]2)	104.8950	0.000	1	104.8950	0.000	1	105.2425	0.083	4	106.6631	2.031	9	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[4x6]-4:C[6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[3x6]-4:Cl-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[4x6]C[3x6]2Cl)(C[6]C[6]H)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[3x6]C[6]O[6]2)(Cl)	H(C[6,6]C[4x6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[4x6]C[3x6]2Cl)(C[6]C[6]H)(H){2|C<3>,2|C<4>,3|O<2>,5|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[3x6]C[6]O[6]2)(Cl){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[4x6]C[6,6]C[6])	105.9610	0.000	1	105.9610	0.000	1	105.9610	0.000	1	105.9610	0.000	1	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:3:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(COO)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]C)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(COO)(H){1|C<3>,3|C<4>,6|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|O<1>,2|C<4>,8|H<1>}	H(C[6,6]C[4x6]C[6,6]C)	107.5700	0.000	1	107.5700	0.000	1	107.5700	0.000	1	107.5700	0.000	1	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:4:1:	4:3:4:1:	4:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:N[3x6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]N[3x6]H)(C[6,6]C[3x6]HH)(CCHO)(H)	C[4x6](C[3x6]C[5,6]C[6,6]C)(N[3x6]C[6,6]C[6])(C[6,6]C[6,6]CH)(H)	H(C[6,6]C[4x6]C[6,6]C)	C[6,6](C[4x6]C[3x6]N[3x6]H)(C[6,6]C[3x6]HH)(CCHO)(H){1|C<3>,1|H<1>,4|C<4>}	C[4x6](C[3x6]C[5,6]C[6,6]C)(N[3x6]C[6,6]C[6])(C[6,6]C[6,6]CH)(H){1|C<3>,1|N<3>,2|C<4>,8|H<1>}	H(C[6,6]C[4x6]C[6,6]C)	107.6320	0.000	1	107.6320	0.000	1	107.6320	0.000	1	108.2170	0.684	2	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:4:1:	4:3:4:1:	4:	C[4x6]-4:C[6]-4:C[6]-4:H-1:	C[4x6]-4:C[3x6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[4x6](C[4x6]C[3x6]C[6,6]Br)(C[3x6]C[3x6]C[6])(C[6,6]C[6]2H)(H)	H(C[6,6]C[4x6]C[6]2)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	C[4x6](C[4x6]C[3x6]C[6,6]Br)(C[3x6]C[3x6]C[6])(C[6,6]C[6]2H)(H){1|O<1>,2|C<4>,2|O<2>,7|H<1>}	H(C[6,6]C[4x6]C[6]2)	108.8020	0.000	1	108.8020	0.000	1	108.8020	0.000	1	108.2170	0.684	2	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:4:1:	4:3:4:3:	4:	C[4x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[3x6]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[3x6]C[6]2)(CH3)(H)	C[4x6](C[6,6]C[6,6]O[6]H)(C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(C[6]O[6]O)	H(C[6,6]C[3x6]C[4x6]C)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[3x6]C[6]2)(CH3)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>,5|O<2>}	C[4x6](C[6,6]C[6,6]O[6]H)(C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(C[6]O[6]O){1|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[4x6]C)	107.5970	0.000	1	107.5970	0.000	1	107.5970	0.000	1	106.5755	2.087	2	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:4:1:	4:3:4:3:	4:	C[5,6,6]-4:C[4x6]-4:C[6]-4:H-1:	C[6,6]-4:C[3x6]-3:C[6,6]-4:C[6,6]-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)	C[4x6](C[6,6]C[5,6,6]C[6]H)(C[3x6]C[6,6]C[6])(C[6,6]O[6,6]HH)(C[6,6]C[6,6]O)	H(C[6,6]C[5,6,6]C[4x6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|O<1>,4|C<4>,6|H<1>}	C[4x6](C[6,6]C[5,6,6]C[6]H)(C[3x6]C[6,6]C[6])(C[6,6]O[6,6]HH)(C[6,6]C[6,6]O){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[5,6,6]C[4x6]C[6])	105.5540	0.000	1	105.5540	0.000	1	105.5540	0.000	1	106.5755	2.087	2	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:4:1:	4:4:2:3:	4:	C[4x6]-4:C[5,6]-4:C[6]-4:H-1:	C[4x6]-4:C[6,6]-4:O[6,6]-2:C[6]-3:	C[6,6]-4:	C[6,6](C[4x6]C[4x6]O[6,6]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[4x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(O[6,6]C[3x6])(C[6]C[6]O)	H(C[6,6]C[4x6]C[5,6]C[6])	C[6,6](C[4x6]C[4x6]O[6,6]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,8|C<4>}	C[4x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(O[6,6]C[3x6])(C[6]C[6]O){5|C<4>,9|H<1>}	H(C[6,6]C[4x6]C[5,6]C[6])	108.3065	0.233	2	108.3065	0.054	2	108.3065	0.054	2	108.3065	0.054	2	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:4:1:	4:4:2:4:	4:	C[4x6]-4:C[6]-4:C[6]-4:H-1:	C[5x6]-4:C[6,6]-4:O[6,6]-2:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5x6]O[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[4x6](C[5x6]C[4x6]C[6,6]C[6])(C[6,6]C[6]2H)(O[6,6]C[4x6])(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6]2)	C[6,6](C[4x6]C[5x6]O[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	C[4x6](C[5x6]C[4x6]C[6,6]C[6])(C[6,6]C[6]2H)(O[6,6]C[4x6])(C[6]C[6]HH){10|H<1>,2|O<2>,5|C<4>}	H(C[6,6]C[4x6]C[6]2)	107.0830	0.000	1	107.0830	0.000	1	107.0830	0.000	1	107.0830	0.000	1	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:4:1:	4:4:3:3:	4:	C[4x6]-4:C[5,6,6]-4:C-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]O[5]H)(CH3)(H)	C[4x6](C[5,3x6]C[5,5,6,6]C[5,6]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]H)	H(C[6,6]C[5,6,6]C[4x6]C)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]O[5]H)(CH3)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[4x6](C[5,3x6]C[5,5,6,6]C[5,6]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[4x6]C)	108.0955	0.337	2	108.0955	0.114	2	108.0955	0.114	2	108.1683	0.073	3	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:4:1:	4:4:3:3:	4:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]H)	H(C[6,6]C[4x6]C[6,6]C)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[4x6]C[6,6]C)	108.3140	0.000	1	108.3140	0.000	1	108.3140	0.000	1	108.1683	0.073	3	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:4:1:	4:4:3:4:	4:	C[4x6]-4:C[5,6,6]-4:C-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]O[5]H)(CH3)(H)	C[4x6](C[5,3x6]C[5,5,6,6]C[5,6,6a]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	H(C[6,6]C[5,6,6]C[4x6]C)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]O[5]H)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[4x6](C[5,3x6]C[5,5,6,6]C[5,6,6a]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[4x6]C)	108.3420	0.000	1	108.3420	0.000	1	108.3560	0.000	2	107.8579	0.366	22	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:4:1:	4:4:3:4:	4:	C[4x6]-4:C[5,6,6]-4:C-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]O[5]H)(CH3)(H)	C[4x6](C[5,3x6]C[5,5,6,6]C[5,6]O)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	H(C[6,6]C[5,6,6]C[4x6]C)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]O[5]H)(CH3)(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[4x6](C[5,3x6]C[5,5,6,6]C[5,6]O)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[4x6]C)	108.3700	0.000	1	108.3700	0.000	1	108.3560	0.000	2	107.8579	0.366	22	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:4:1:	4:4:3:4:	4:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(CHHO)(H)	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]C)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(CHHO)(H){1|C<3>,3|C<4>,5|H<1>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6]C[6]HH){5|H<1>,6|C<4>}	H(C[6,6]C[4x6]C[6,6]C)	105.7090	0.000	1	105.7090	0.000	1	107.3033	1.524	4	107.8579	0.366	22	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:4:1:	4:4:3:4:	4:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CHHO)(H)	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]C)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CHHO)(H){1|C<3>,3|C<4>,5|H<1>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6]C[6]HH){5|C<4>,6|H<1>}	H(C[6,6]C[4x6]C[6,6]C)	107.8347	0.769	3	107.8347	0.592	3	107.3033	1.524	4	107.8579	0.366	22	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:4:1:	4:4:3:4:	4:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]C)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[4x6]C[6,6]C)	108.2720	0.021	2	108.1218	0.022	5	107.9343	0.087	16	107.8579	0.366	22	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:4:1:	4:4:3:4:	4:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]C)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[4x6]C[6,6]C)	107.9810	0.066	2	108.1218	0.022	5	107.9343	0.087	16	107.8579	0.366	22	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:4:1:	4:4:3:4:	4:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]C)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){4|C<4>,6|H<1>}	H(C[6,6]C[4x6]C[6,6]C)	108.1030	0.000	1	108.1218	0.022	5	107.9343	0.087	16	107.8579	0.366	22	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:4:1:	4:4:3:4:	4:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]C)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6,6]C[4x6]C[6,6]C)	108.2210	0.000	1	108.0875	0.036	2	107.9343	0.087	16	107.8579	0.366	22	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:4:1:	4:4:3:4:	4:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]C)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[4x6]C[6,6]C)	107.9540	0.000	1	108.0875	0.036	2	107.9343	0.087	16	107.8579	0.366	22	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:4:1:	4:4:3:4:	4:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H)	C[4x6](C[5,3x6]C[5,6,6a]C[5,6,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]C)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[4x6](C[5,3x6]C[5,6,6a]C[5,6,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[4x6]C[6,6]C)	107.7460	0.311	3	107.8817	0.138	4	107.9343	0.087	16	107.8579	0.366	22	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:4:1:	4:4:3:4:	4:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H)	C[4x6](C[5,3x6]C[5,6,6a]C[5,6,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]C)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[4x6](C[5,3x6]C[5,6,6a]C[5,6,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[4x6]C[6,6]C)	108.2890	0.000	1	107.8817	0.138	4	107.9343	0.087	16	107.8579	0.366	22	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:4:1:	4:4:3:4:	4:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H)	C[4x6](C[5,3x6]C[5,6,6a]C[5,6,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]C)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[4x6](C[5,3x6]C[5,6,6a]C[5,6,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[4x6]C[6,6]C)	107.9360	0.000	1	107.9360	0.000	1	107.9343	0.087	16	107.8579	0.366	22	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:4:1:	4:4:3:4:	4:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(CH3)(H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]C)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[4x6]C[6,6]C)	107.6267	0.339	3	107.6267	0.115	3	107.9343	0.087	16	107.8579	0.366	22	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:4:1:	4:4:3:4:	4:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(CH3)(H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]C)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[4x6]C[6,6]C)	107.8210	0.000	1	107.8210	0.000	1	107.9343	0.087	16	107.8579	0.366	22	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6,6]-4:C[4x6]-4:C[6]-4:H-1:	C[6,6]-4:C[3x6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)	C[4x6](C[6,6]C[5,6,6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6,6]C[6,6]O)	H(C[6,6]C[5,6,6]C[4x6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H){1|C<3>,2|O<1>,2|O<2>,4|C<4>,8|H<1>}	C[4x6](C[6,6]C[5,6,6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6,6]C[6,6]O){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[5,6,6]C[4x6]C[6])	104.9810	0.000	1	104.9950	0.000	2	104.9950	0.000	2	104.9950	0.000	2	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6,6]-4:C[4x6]-4:C[6]-4:H-1:	C[6,6]-4:C[3x6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)	C[4x6](C[6,6]C[5,6,6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6,6]C[6,6]O)	H(C[6,6]C[5,6,6]C[4x6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H){2|C<3>,2|O<2>,3|C<4>,3|O<1>,6|H<1>}	C[4x6](C[6,6]C[5,6,6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6,6]C[6,6]O){1|O<2>,3|C<3>,3|H<1>,5|C<4>}	H(C[6,6]C[5,6,6]C[4x6]C[6])	105.0090	0.000	1	104.9950	0.000	2	104.9950	0.000	2	104.9950	0.000	2	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)	H(C[6,6]C[4x6]C[6,6]C[6])	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,8|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[4x6]C[6,6]C[6])	105.4350	0.000	1	105.4350	0.000	1	105.4350	0.000	1	105.4350	0.000	1	109.3990	1.272	647	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[5x6]	H	4:4:1:1:	3:3:4:4:	4:	C[5x6]-4:C[3x6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[5x6]C[6,6,6a]2C[5x6])(C[3x6]C[6,6,6a]2C)(H)2	C[5x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5x6]C[6,6,6a]2C[6,6])(C[6,6]C[3x6]HH)	H(C[6,6]C[3x6]C[5x6]H)	C[6,6](C[5x6]C[6,6,6a]2C[5x6])(C[3x6]C[6,6,6a]2C)(H)2{1|C<4>,8|C<3>}	C[5x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5x6]C[6,6,6a]2C[6,6])(C[6,6]C[3x6]HH){2|C<4>,4|H<1>,8|C<3>}	H(C[6,6]C[3x6]C[5x6]H)	109.2125	0.019	2	109.2125	0.000	2	109.2125	0.000	2	109.2125	0.000	2	108.6690	7.745	61	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[5x6]	H	4:4:1:1:	4:4:4:1:	4:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[5x6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5x6]C[5x6]C[6x6]H)(C[6,6]C[4x6]HH)(H)2	C[5x6](C[5x6]C[3x6]C[5x6]H)(C[6x6]C[4x6]C[6x6]H)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[5x6]C[6,6]H)	C[6,6](C[5x6]C[5x6]C[6x6]H)(C[6,6]C[4x6]HH)(H)2{3|H<1>,4|C<4>}	C[5x6](C[5x6]C[3x6]C[5x6]H)(C[6x6]C[4x6]C[6x6]H)(C[6,6]C[6,6]HH)(H){1|Br<1>,4|C<4>,6|H<1>}	H(C[6,6]C[5x6]C[6,6]H)	109.9655	0.041	4	109.9655	0.002	4	109.9655	0.002	4	109.9655	0.002	4	108.6690	7.745	61	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[5x6]	H	4:4:1:1:	4:4:4:3:	4:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]CH)(H)2	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)	H(C[6,6]C[5x6]C[6,6]H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]CH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H){1|C<2>,1|O<2>,2|C<4>,3|C<3>,7|H<1>}	H(C[6,6]C[5x6]C[6,6]H)	109.9970	0.051	2	109.8555	0.014	6	107.2770	35.002	11	107.2770	35.002	11	108.6690	7.745	61	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[5x6]	H	4:4:1:1:	4:4:4:3:	4:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]CH)(H)2	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)	H(C[6,6]C[5x6]C[6,6]H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]CH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H){1|O<2>,3|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[5x6]C[6,6]H)	109.7550	0.065	2	109.8555	0.014	6	107.2770	35.002	11	107.2770	35.002	11	108.6690	7.745	61	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[5x6]	H	4:4:1:1:	4:4:4:3:	4:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]CH)(H)2	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)	H(C[6,6]C[5x6]C[6,6]H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]CH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H){1|O<2>,3|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[5x6]C[6,6]H)	109.8145	0.019	2	109.8555	0.014	6	107.2770	35.002	11	107.2770	35.002	11	108.6690	7.745	61	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[5x6]	H	4:4:1:1:	4:4:4:3:	4:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]ClC)(H)2	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)	H(C[6,6]C[5x6]C[6,6]H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]ClC)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H){1|Cl<1>,1|C<2>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[5x6]C[6,6]H)	95.3490	1.436	2	95.3490	2.061	2	107.2770	35.002	11	107.2770	35.002	11	108.6690	7.745	61	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[5x6]	H	4:4:1:1:	4:4:4:3:	4:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]ClH)(H)2	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)	H(C[6,6]C[5x6]C[6,6]H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]ClH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H){1|Cl<1>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[5x6]C[6,6]H)	110.0720	0.046	3	110.0720	0.002	3	107.2770	35.002	11	107.2770	35.002	11	108.6690	7.745	61	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[5x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[5x6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[5x6]C[4x6]2C[6])(H)2	C[5x6](C[4x6]C[6,6]O[6,6]C[6])(C[4x6]C[6,6]O[6,6]O)(C[6,6]C[3x6]HH)(C[6]C[6]HH)	H(C[6,6]C[3x6]C[5x6]H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[5x6]C[4x6]2C[6])(H)2{1|C<3>,3|O<2>,4|H<1>,5|C<4>}	C[5x6](C[4x6]C[6,6]O[6,6]C[6])(C[4x6]C[6,6]O[6,6]O)(C[6,6]C[3x6]HH)(C[6]C[6]HH){1|C<3>,5|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[5x6]H)	106.4015	2.685	2	106.4015	7.209	2	106.4015	7.209	2	109.4883	1.308	30	108.6690	7.745	61	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[5x6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[5x6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[5x6]C[5,4x6]C[6,6]2)(H)2	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[5,6,6]HH)(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)	H(C[6,6]C[5,6,6]C[5x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[5x6]C[5,4x6]C[6,6]2)(H)2{1|C<3>,1|N<4>,1|O<2>,3|H<1>,7|C<4>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[5,6,6]HH)(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH){1|O<2>,2|C<3>,4|C<4>,9|H<1>}	H(C[6,6]C[5,6,6]C[5x6]H)	110.7355	0.985	2	110.7355	0.970	2	110.7355	0.970	2	109.4883	1.308	30	108.6690	7.745	61	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[5x6]	H	4:4:1:1:	4:4:4:4:	4:	C[5x6]-4:C[3x6]-4:H-1:H-1:	C[5x6]-4:C[3x6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[5x6]C[3x6]C[5x6]C[6,6])(C[3x6]C[6,6]2H)(H)2	C[5x6](C[5x6]C[3x6]C[6,6]2)(C[3x6]C[6,6]2I)(C[6,6]C[3x6]HH)2	H(C[6,6]C[3x6]C[5x6]H)	C[6,6](C[5x6]C[3x6]C[5x6]C[6,6])(C[3x6]C[6,6]2H)(H)2{1|I<1>,6|C<4>,6|H<1>}	C[5x6](C[5x6]C[3x6]C[6,6]2)(C[3x6]C[6,6]2I)(C[6,6]C[3x6]HH)2{10|H<1>,1|I<1>,5|C<4>}	H(C[6,6]C[3x6]C[5x6]H)	109.3748	0.017	4	109.3748	0.000	4	109.3748	0.000	4	109.4883	1.308	30	108.6690	7.745	61	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[5x6]	H	4:4:1:1:	4:4:4:4:	4:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]CH)(H)2	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)2	H(C[6,6]C[5x6]C[6,6]H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)2{1|O<2>,3|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[5x6]C[6,6]H)	109.9040	0.016	2	109.9030	0.010	10	109.6761	0.322	22	109.4883	1.308	30	108.6690	7.745	61	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[5x6]	H	4:4:1:1:	4:4:4:4:	4:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]CH)(H)2	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)2	H(C[6,6]C[5x6]C[6,6]H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)2{2|C<3>,2|O<2>,4|C<4>,7|H<1>}	H(C[6,6]C[5x6]C[6,6]H)	110.0695	0.050	2	109.9030	0.010	10	109.6761	0.322	22	109.4883	1.308	30	108.6690	7.745	61	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[5x6]	H	4:4:1:1:	4:4:4:4:	4:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]CH)(H)2	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)2	H(C[6,6]C[5x6]C[6,6]H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|N<4>,1|O<2>,3|H<1>,4|C<4>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)2{2|C<3>,2|O<2>,4|C<4>,8|H<1>}	H(C[6,6]C[5x6]C[6,6]H)	109.8472	0.050	6	109.9030	0.010	10	109.6761	0.322	22	109.4883	1.308	30	108.6690	7.745	61	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[5x6]	H	4:4:1:1:	4:4:4:4:	4:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)2	H(C[6,6]C[5x6]C[6,6]H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)2{1|O<2>,3|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[5x6]C[6,6]H)	109.6075	0.019	2	109.6075	0.000	2	109.6761	0.322	22	109.4883	1.308	30	108.6690	7.745	61	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[5x6]	H	4:4:1:1:	4:4:4:4:	4:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)2	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)2	H(C[6,6]C[5x6]C[6,6]H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)2{2|C<3>,2|O<2>,4|C<4>,7|H<1>}	H(C[6,6]C[5x6]C[6,6]H)	109.3060	0.044	2	109.4605	0.019	8	109.6761	0.322	22	109.4883	1.308	30	108.6690	7.745	61	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[5x6]	H	4:4:1:1:	4:4:4:4:	4:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)2	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)2	H(C[6,6]C[5x6]C[6,6]H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)2{1|C<3>,1|N<4>,1|O<2>,3|H<1>,4|C<4>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)2{2|C<3>,2|O<2>,4|C<4>,8|H<1>}	H(C[6,6]C[5x6]C[6,6]H)	109.5120	0.114	6	109.4605	0.019	8	109.6761	0.322	22	109.4883	1.308	30	108.6690	7.745	61	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[5x6]	H	4:4:1:1:	4:4:4:4:	4:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[5,3x6]HH)(H)2	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[5,6,6]HH)(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)	H(C[6,6]C[5x6]C[6,6]H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[5,3x6]HH)(H)2{1|C<3>,1|N<4>,1|O<2>,3|H<1>,4|C<4>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[5,6,6]HH)(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH){1|O<2>,2|C<3>,4|C<4>,9|H<1>}	H(C[6,6]C[5x6]C[6,6]H)	109.4730	2.357	2	109.4730	5.558	2	109.6761	0.322	22	109.4883	1.308	30	108.6690	7.745	61	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[5x6]	H	4:4:3:1:	4:4:3:3:	4:	C[5x6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[3x6]-3:C[3x6]-3:	C[6,6]-4:	C[6,6](C[5x6]C[5,6,6]C[3x6]2)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[3x6]Si[6,6]C[6])(C[3x6]C[6,6]C[6])	H(C[6,6]C[5,6]C[5x6]C[6])	C[6,6](C[5x6]C[5,6,6]C[3x6]2)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|Si<4>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[3x6]Si[6,6]C[6])(C[3x6]C[6,6]C[6]){1|N<3>,1|O<1>,3|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[5x6]C[6])	107.5630	0.000	1	107.5630	0.000	1	107.5630	0.000	1	107.5630	0.000	1	108.6690	7.745	61	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[5x6]	H	4:4:3:1:	4:4:4:3:	4:	C[5x6]-4:C[6]-4:N[6]-3:H-1:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)	H(C[6,6]C[5x6]C[6]N[6])	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){3|C<3>,3|C<4>,5|H<1>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H){1|C<2>,1|O<2>,2|C<4>,3|C<3>,7|H<1>}	H(C[6,6]C[5x6]C[6]N[6])	108.3270	0.000	1	107.6155	0.130	6	107.6155	0.130	6	107.6155	0.130	6	108.6690	7.745	61	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[5x6]	H	4:4:3:1:	4:4:4:3:	4:	C[5x6]-4:C[6]-4:N[6]-3:H-1:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)	H(C[6,6]C[5x6]C[6]N[6])	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){3|C<3>,3|C<4>,5|H<1>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H){1|Cl<1>,1|C<2>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[5x6]C[6]N[6])	107.2890	0.000	1	107.6155	0.130	6	107.6155	0.130	6	107.6155	0.130	6	108.6690	7.745	61	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[5x6]	H	4:4:3:1:	4:4:4:3:	4:	C[5x6]-4:C[6]-4:N[6]-3:H-1:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)	H(C[6,6]C[5x6]C[6]N[6])	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){3|C<3>,3|C<4>,5|H<1>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H){1|Cl<1>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[5x6]C[6]N[6])	107.5050	0.011	2	107.6155	0.130	6	107.6155	0.130	6	107.6155	0.130	6	108.6690	7.745	61	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[5x6]	H	4:4:3:1:	4:4:4:3:	4:	C[5x6]-4:C[6]-4:N[6]-3:H-1:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)	H(C[6,6]C[5x6]C[6]N[6])	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){3|C<3>,3|C<4>,5|H<1>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H){1|O<2>,3|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[5x6]C[6]N[6])	107.5290	0.000	1	107.6155	0.130	6	107.6155	0.130	6	107.6155	0.130	6	108.6690	7.745	61	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[5x6]	H	4:4:3:1:	4:4:4:3:	4:	C[5x6]-4:C[6]-4:N[6]-3:H-1:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)	H(C[6,6]C[5x6]C[6]N[6])	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){3|C<3>,3|C<4>,5|H<1>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H){1|O<2>,3|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[5x6]C[6]N[6])	107.5380	0.000	1	107.6155	0.130	6	107.6155	0.130	6	107.6155	0.130	6	108.6690	7.745	61	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[5x6]	H	4:4:3:1:	4:4:4:4:	4:	C[5x6]-4:C[6]-4:N[6]-3:H-1:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)2	H(C[6,6]C[5x6]C[6]N[6])	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,4|C<4>,6|H<1>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)2{1|O<2>,3|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[5x6]C[6]N[6])	107.3930	0.000	1	107.5500	0.049	2	107.5500	0.049	2	107.5500	0.049	2	108.6690	7.745	61	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[5x6]	H	4:4:3:1:	4:4:4:4:	4:	C[5x6]-4:C[6]-4:N[6]-3:H-1:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)2	H(C[6,6]C[5x6]C[6]N[6])	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,4|C<4>,6|H<1>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)2{2|C<3>,2|O<2>,4|C<4>,7|H<1>}	H(C[6,6]C[5x6]C[6]N[6])	107.7070	0.000	1	107.5500	0.049	2	107.5500	0.049	2	107.5500	0.049	2	108.6690	7.745	61	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[5x6]	H	4:4:4:1:	4:3:3:4:	4:	C[5x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-3:C[6,6]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[5x6]C[3x6]2C[6,6])(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[5x6](C[3x6]C[6,6]O[6]O)(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(C[6,6]C[6]2H)	H(C[6,6]C[5x6]C[6]2)	C[6,6](C[5x6]C[3x6]2C[6,6])(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5x6](C[3x6]C[6,6]O[6]O)(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(C[6,6]C[6]2H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	H(C[6,6]C[5x6]C[6]2)	105.1900	0.000	1	105.1900	0.000	1	105.1900	0.000	1	105.1900	0.000	1	108.6690	7.745	61	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[5x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5x6]-4:C[6]-4:N[6]-4:H-1:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[5,6,6]HH)(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)	H(C[6,6]C[5x6]C[6]N[6])	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[5,6,6]HH)(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH){1|O<2>,2|C<3>,4|C<4>,9|H<1>}	H(C[6,6]C[5x6]C[6]N[6])	109.5740	0.000	1	109.5740	0.000	1	108.0705	1.111	4	108.0705	1.111	4	108.6690	7.745	61	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[5x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5x6]-4:C[6]-4:N[6]-4:H-1:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)2	H(C[6,6]C[5x6]C[6]N[6])	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)2{2|C<3>,2|O<2>,4|C<4>,8|H<1>}	H(C[6,6]C[5x6]C[6]N[6])	107.5693	0.399	3	107.5693	0.160	3	108.0705	1.111	4	108.0705	1.111	4	108.6690	7.745	61	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	3:4:4:1:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6a]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6a]C[6]H)(H){1|C<4>,4|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]2H)(C[6]C[6]HH)(H){3|H<1>,6|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	108.1270	0.000	1	108.1270	0.000	1	108.1270	0.000	1	108.1270	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:3:4:1:	4:	N[5,6]-3:C[5,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](N[5,6]C[5,5,6]C[5])(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[5,6]N[5,6]H)(C[6]C[5,6]O)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]N[5,6])	C[6,6](N[5,6]C[5,5,6]C[5])(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H){1|C<3>,1|O<1>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]N[5,6]H)(C[6]C[5,6]O)(C[6]C[6]HH)(H){1|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]N[5,6])	107.6730	0.000	2	107.6730	0.000	2	107.6730	0.000	2	107.6730	0.000	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:1:1:	4:	C[3x6]-3:C[5a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6])(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]C[5a])	C[6,6](C[3x6]C[6,6]N[6,6])(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C[5a])	107.8960	0.000	1	107.8960	0.000	1	107.8960	0.000	1	109.8813	0.426	21	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6]O[6]2C)(H)2	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	C[6,6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6]O[6]2C)(H)2{1|S<2>,3|C<3>}	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	111.0260	0.000	1	111.0260	0.000	1	111.0260	0.000	1	109.8813	0.426	21	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:N[5a,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[5a,6]N[5a,6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[5a,6]N[5a,6]C[6,6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]HH)(H){1|C<4>,2|H<1>,6|C<3>}	C[6,6](C[6,6]C[5a,6]N[5a,6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,1|N<3>,5|C<3>}	H(C[6,6]C[5a,6]N[5a,6]C[6,6])	110.5260	0.000	1	110.5260	0.000	1	110.5260	0.000	1	109.8813	0.426	21	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])2(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]3)	C[6,6](C[6,6]C[6,6]C[6])2(C[6,6]C[6,6]HH)(H){1|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6]2H)(H)2{6|C<3>}	H(C[6,6]C[6,6]3)	110.3950	0.000	1	110.3950	0.000	1	110.3950	0.000	1	109.8813	0.426	21	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[5a]O[6]2)(H)2	H(C[6,6]C[6,6a]C[6,6]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[5a]O[6]2)(H)2{1|S<2>,5|C<3>}	H(C[6,6]C[6,6a]C[6,6]2)	110.2220	0.000	1	110.2220	0.000	1	109.7492	0.099	5	109.8813	0.426	21	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6]C)(H)2	H(C[6,6]C[6,6a]C[6,6]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6]C)(H)2{2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]2)	109.5570	0.000	1	109.5570	0.000	1	109.7492	0.099	5	109.8813	0.426	21	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6a]N[6]O[6])(H)2	H(C[6,6]C[6,6a]C[6,6]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6a]N[6]O[6])(H)2{1|H<1>,6|C<3>}	H(C[6,6]C[6,6a]C[6,6]2)	109.7905	0.009	2	109.7905	0.000	2	109.7492	0.099	5	109.8813	0.426	21	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]N[6]2H)(H)2	H(C[6,6]C[6,6a]C[6,6]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]N[6]2H)(H)2{1|C<4>,5|C<3>}	H(C[6,6]C[6,6a]C[6,6]2)	109.3860	0.000	1	109.3860	0.000	1	109.7492	0.099	5	109.8813	0.426	21	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a,6a]N[6a])(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6a]2H)2(H)2	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a,6a]N[6a])(C[6,6]C[6,6]HH)(H){2|H<1>,6|C<3>}	C[6,6](C[6,6]C[6,6a]2H)2(H)2{2|N<2>,4|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	109.1910	0.000	1	109.1910	0.000	1	109.8815	0.199	11	109.8813	0.426	21	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){2|H<1>,3|C<4>,4|C<3>}	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]2H)(H)2{3|H<1>,5|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	108.9570	0.000	1	108.9570	0.000	1	109.8815	0.199	11	109.8813	0.426	21	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6a]N[6]O[6])(C[6,6]C[6,6a]2H)(H)2	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|H<1>,1|N<3>,1|O<1>,2|O<2>,4|C<3>}	C[6,6](C[6,6]C[6a]N[6]O[6])(C[6,6]C[6,6a]2H)(H)2{1|C<4>,6|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	109.9035	0.056	2	109.9035	0.003	2	109.8815	0.199	11	109.8813	0.426	21	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6a]2H)(H)2	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,3|O<2>,4|C<3>}	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6a]2H)(H)2{6|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	110.2900	0.000	1	110.0783	0.055	6	109.8815	0.199	11	109.8813	0.426	21	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6a]2H)(H)2	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|H<1>,3|O<2>,5|C<3>}	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6a]2H)(H)2{6|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	109.7950	0.000	1	110.0783	0.055	6	109.8815	0.199	11	109.8813	0.426	21	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6a]2H)(H)2	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){2|H<1>,2|O<2>,5|C<3>}	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6a]2H)(H)2{6|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	110.0962	0.221	4	110.0783	0.055	6	109.8815	0.199	11	109.8813	0.426	21	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6a]2H)(H)2	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H){1|H<1>,2|O<2>,6|C<3>}	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6a]2H)(H)2{6|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	110.2710	0.000	1	110.2710	0.000	1	109.8815	0.199	11	109.8813	0.426	21	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:N[5,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6a]N[5,6]H)(C[6,6]N[6]O[6]C)(H)2	H(C[6,6]C[6,6a]C[6,6]N[5,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(H){1|N<2>,1|O<2>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6a]N[5,6]H)(C[6,6]N[6]O[6]C)(H)2{1|C<4>,3|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[5,6])	110.2220	0.000	1	110.2220	0.000	1	110.2220	0.000	1	109.8813	0.426	21	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:2:1:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6,6]HO)(H)	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6a]2H)(OH)(H)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6,6]HO)(H){4|O<2>,5|C<3>}	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6a]2H)(OH)(H){6|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	109.8600	0.000	1	109.8600	0.000	1	110.0755	0.093	2	110.0755	0.093	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:2:1:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(H)	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]H)(OH)(H)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]H)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	110.2910	0.000	1	110.2910	0.000	1	110.0755	0.093	2	110.0755	0.093	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:2:3:	4:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-2:C-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]N[6])(COO)	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]N[6])(COO){1|S<4>,6|C<3>}	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	110.1980	0.000	1	110.1980	0.000	1	110.1980	0.000	1	110.1980	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:3:1:	4:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(H)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6]O[6]2C)(COO)(H)	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(H){1|H<1>,1|N<2>,1|N<3>,2|O<2>,4|C<3>}	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6]O[6]2C)(COO)(H){4|C<3>}	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	111.2100	0.000	1	111.2100	0.000	1	111.2330	0.001	2	108.6708	5.720	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:3:1:	4:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(H)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6]O[6]2H)(COO)(H)	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(H){1|N<2>,1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6]O[6]2H)(COO)(H){4|C<3>}	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	111.2560	0.000	1	111.2560	0.000	1	111.2330	0.001	2	108.6708	5.720	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[5,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]CH)(C[6]O[6]O)(H)	H(C[6,6]C[6,6a]C[5,6]C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H){1|O<1>,2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]CH)(C[6]O[6]O)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[5,6]C[6,6])	107.7720	0.000	1	107.7720	0.000	1	107.7720	0.000	1	108.6708	5.720	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]O)(H)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){2|H<1>,2|N<3>,2|O<1>,2|O<2>,3|C<3>}	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]O)(H){6|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	107.9200	0.000	1	107.9200	0.000	1	108.4305	0.521	2	108.6708	5.720	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[6,6a]2H)(C[6]O[6]CH)(C[6]O[6]O)(H)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>,2|O<1>,2|O<2>}	C[6,6](C[6,6]C[6,6a]2H)(C[6]O[6]CH)(C[6]O[6]O)(H){4|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	108.9410	0.000	1	108.9410	0.000	1	108.4305	0.521	2	108.6708	5.720	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(H)	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(H){2|C<4>,4|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H){2|H<1>,5|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	104.9260	0.000	1	104.9260	0.000	1	104.9260	0.000	1	108.6708	5.720	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H)	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6]HH)(C[6]O[6]O)(COO)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6]HH)(C[6]O[6]O)(COO){1|H<1>,5|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	108.3520	0.000	1	108.3520	0.000	1	108.3520	0.000	1	107.5165	1.396	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6,6]C[6]3)(H)	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(C[6]C[6,6a]O)(C[6]O[6]O)	H(C[6,6]C[6,6a]C[6,6]N[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6,6]C[6]3)(H){1|C<4>,1|O<2>,2|O<1>,5|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(C[6]C[6,6a]O)(C[6]O[6]O){1|C<4>,6|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6,6])	106.6810	0.000	1	106.6810	0.000	1	106.6810	0.000	1	107.5165	1.396	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:4:1:	4:	C[5a,6]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	H(C[6,6]C[5a,6]C[6,6]2)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,1|S<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[5a,6]C[6,6]2)	106.5920	0.000	1	106.5920	0.000	1	106.5920	0.000	1	108.5276	1.565	14	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:4:1:	4:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]O[6]CC)(C[6]S[6]HH)(H)	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|S<2>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]O[6]CC)(C[6]S[6]HH)(H){4|C<3>}	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	108.0180	0.000	1	108.0180	0.000	1	108.0180	0.000	1	108.5276	1.565	14	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CC)(C[6]O[6]HH)(H)	H(C[6,6]C[6,6a]C[6,6]2)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(H){1|O<1>,2|C<3>,2|H<1>,3|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CC)(C[6]O[6]HH)(H){4|C<3>}	H(C[6,6]C[6,6a]C[6,6]2)	107.9290	0.033	2	107.9290	0.001	2	107.9290	0.001	2	108.5276	1.565	14	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:S-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HS)(H)	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]H)(SCOO)(H)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HS)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]H)(SCOO)(H){2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	110.0680	0.000	1	110.0680	0.000	1	110.0322	0.059	5	108.5276	1.565	14	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:S-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HS)(H)	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]H)(SC[6a]OO)(H)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HS)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]H)(SC[6a]OO)(H){2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	110.0233	0.279	4	110.0233	0.078	4	110.0322	0.059	5	108.5276	1.565	14	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(H)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){1|C<4>,2|O<2>,4|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(H){6|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	108.1820	0.000	1	107.8095	0.278	2	107.7516	0.264	5	108.5276	1.565	14	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(H)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){2|O<2>,5|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(H){6|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	107.4370	0.000	1	107.8095	0.278	2	107.7516	0.264	5	108.5276	1.565	14	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[6,6a]2H)(C[6]O[6]CC)(C[6]O[6]HH)(H)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>,3|O<2>}	C[6,6](C[6,6]C[6,6a]2H)(C[6]O[6]CC)(C[6]O[6]HH)(H){4|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	106.9980	0.000	1	106.9980	0.000	1	107.7516	0.264	5	108.5276	1.565	14	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[6,6a]2H)(C[6]O[6]HH)2(H)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){1|O<1>,3|C<3>,3|O<2>,5|H<1>}	C[6,6](C[6,6]C[6,6a]2H)(C[6]O[6]HH)2(H){4|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	108.0705	0.008	2	108.0705	0.000	2	107.7516	0.264	5	108.5276	1.565	14	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:4:2:	4:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-2:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(CN)	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|N<2>,1|O<2>,2|N<3>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(CN){1|S<4>,6|C<3>}	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	107.6040	0.000	1	107.6040	0.000	1	108.2293	0.304	3	107.6430	0.755	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:4:2:	4:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-2:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(CN)	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|C<4>,1|N<2>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(CN){6|C<3>}	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	108.5420	0.144	2	108.5420	0.021	2	108.2293	0.304	3	107.6430	0.755	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:4:2:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-2:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H)	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(CN)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H){1|N<3>,1|O<1>,2|O<2>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(CN){1|S<4>,6|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	106.2550	0.000	1	106.2550	0.000	1	107.0567	0.551	3	107.6430	0.755	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:4:2:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-2:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H)	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(CN)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H){1|O<1>,2|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(CN){6|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	107.4575	0.373	2	107.4575	0.139	2	107.0567	0.551	3	107.6430	0.755	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:4:3:	4:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(COO)	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|C<4>,1|N<2>,1|O<2>,2|N<3>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(COO){1|S<4>,6|C<3>}	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	108.4670	0.000	1	108.4670	0.000	1	108.4805	0.002	4	108.1013	0.309	11	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:4:3:	4:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(COO)	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|C<4>,1|N<2>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(COO){6|C<3>}	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	108.5090	0.038	2	108.4850	0.002	3	108.4805	0.002	4	108.1013	0.309	11	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:4:3:	4:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(COO)	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|N<2>,1|N<3>,2|O<2>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(COO){6|C<3>}	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	108.4370	0.000	1	108.4850	0.002	3	108.4805	0.002	4	108.1013	0.309	11	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:4:3:	4:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(H)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(COO)	H(C[6,6]C[6,6a]C[6,6]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(H){1|O<1>,2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(COO){6|C<3>}	H(C[6,6]C[6,6a]C[6,6]2)	107.3320	0.000	1	107.3320	0.000	1	107.3320	0.000	1	108.1013	0.309	11	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H)	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(COO)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H){1|O<1>,2|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(COO){6|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	107.9150	0.720	2	108.1464	0.239	5	108.1464	0.239	5	108.1013	0.309	11	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H)	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(COO)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H){1|O<1>,3|O<2>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(COO){6|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	108.3007	0.361	3	108.1464	0.239	5	108.1464	0.239	5	108.1013	0.309	11	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6,6](C[6]N[6,6a]C[6a]H)(C[6,6]C[6,6a]2H)(C[6]O[6]HH)(COO)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6,6](C[6]N[6,6a]C[6a]H)(C[6,6]C[6,6a]2H)(C[6]O[6]HH)(COO){7|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	107.1280	0.000	1	107.1280	0.000	1	107.1280	0.000	1	108.1013	0.309	11	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:4:4:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C[6,6](C[6,6]C[5a]N[6]O[6])(C[6,6]C[6,6a]2H)(CH3)2	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){1|H<1>,1|N<3>,1|O<1>,2|O<2>,4|C<3>}	C[6,6](C[6,6]C[5a]N[6]O[6])(C[6,6]C[6,6a]2H)(CH3)2{1|H<1>,1|O<2>,5|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	109.3180	0.000	1	109.3180	0.000	1	109.4900	0.063	3	109.4900	0.063	3	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:4:4:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C[6,6](C[6,6]C[6a]N[6]O[6])(C[6,6]C[6,6a]2H)(CH3)2	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){1|H<1>,1|N<3>,1|O<1>,2|O<2>,4|C<3>}	C[6,6](C[6,6]C[6a]N[6]O[6])(C[6,6]C[6,6a]2H)(CH3)2{1|C<4>,6|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	109.3740	0.000	1	109.5760	0.082	2	109.4900	0.063	3	109.4900	0.063	3	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:4:4:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C[6,6](C[6,6]C[6a]N[6]O[6])(C[6,6]C[6,6a]2H)(CH3)2	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){1|H<1>,1|N<3>,1|O<1>,2|O<2>,4|C<3>}	C[6,6](C[6,6]C[6a]N[6]O[6])(C[6,6]C[6,6a]2H)(CH3)2{1|H<1>,6|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	109.7780	0.000	1	109.5760	0.082	2	109.4900	0.063	3	109.4900	0.063	3	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:1:1:	4:4:1:1:	4:	N[3x6]-3:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6,6a]C[6,6])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6,6a]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]N[3x6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.1393	0.014	3	109.1393	0.000	3	109.1393	0.000	3	109.4002	0.035	11	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:1:1:	4:4:1:1:	4:	N[3x6]-3:C[6,6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[5,4x6]C[6,6])(C[6,6]N[3x6]HH)(H)2	C[6,6](N[3x6]C[5,4x6]C[6,6]H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[5,4x6]C[6,6])(C[6,6]N[3x6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](N[3x6]C[5,4x6]C[6,6]H)(C[6,6]N[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.4980	0.101	8	109.4980	0.010	8	109.4980	0.010	8	109.4002	0.035	11	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	N[5,6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](N[5,6,6]C[5,6,6]C[5,6])(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]N[5,6,6]HH)(C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)	H(C[6,6]N[5,6,6]C[6,6]H)	C[6,6](N[5,6,6]C[5,6,6]C[5,6])(C[6,6]C[6]2H)(H)2{4|C<4>,6|H<1>}	C[6,6](C[6,6]N[5,6,6]HH)(C[6]C[5,6,6]HH)(C[6]C[6]HH)(H){1|H<1>,1|I<1>,1|O<2>,3|C<4>}	H(C[6,6]N[5,6,6]C[6,6]H)	109.8104	0.105	24	109.8104	0.011	24	109.8104	0.011	24	109.6744	0.060	34	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(C[6]C[6]ClH)(H)	H(C[6,6]C[6,6]N[6,6]H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2H)(H)2{1|Cl<1>,1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(C[6]C[6]ClH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]N[6,6]H)	109.4502	0.050	6	109.4502	0.002	6	109.4399	0.003	7	109.6744	0.060	34	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)	H(C[6,6]C[6,6]N[6,6]H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2H)(H)2{1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]N[6,6]H)	109.3780	0.000	1	109.3780	0.000	1	109.4399	0.003	7	109.6744	0.060	34	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	Si[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]Si[6]C[6]H)(H)2	C[6,6](Si[6]C[6,6a]C[6a]C)(C[6,6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]N[6,6]H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]Si[6]C[6]H)(H)2{2|C<4>,3|C<3>,4|H<1>}	C[6,6](Si[6]C[6,6a]C[6a]C)(C[6,6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]N[6,6]H)	109.1440	0.017	2	109.1330	0.001	3	109.1330	0.001	3	109.6744	0.060	34	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	Si[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]Si[6]C[6]H)(H)2	C[6,6](Si[6]C[6,6a]C[6a]C)(C[6,6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]N[6,6]H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]Si[6]C[6]H)(H)2{2|C<4>,3|C<3>,4|H<1>}	C[6,6](Si[6]C[6,6a]C[6a]C)(C[6,6]N[6,6]HH)(C[6]C[6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	H(C[6,6]C[6,6]N[6,6]H)	109.1110	0.000	1	109.1330	0.001	3	109.1330	0.001	3	109.6744	0.060	34	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:1:1:	4:4:4:4:	4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2C)(H)2	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(C[6]C[6]HH)(CCHH)	H(C[6,6]C[6,6]N[6,6]H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2C)(H)2{1|C<3>,1|C<4>,1|N<2>,6|H<1>}	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(C[6]C[6]HH)(CCHH){1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]N[6,6]H)	109.4402	0.032	4	109.4402	0.001	4	109.4402	0.001	4	109.4402	0.001	4	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:2:1:	3:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]H)(O[6]C[6])(H)	C[6,6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]H)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6,6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]O[6])	109.4940	0.000	1	109.4940	0.000	1	109.4940	0.000	1	109.4940	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:2:1:	4:2:4:4:	4:	N[6,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:S[6]-2:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2S[6])(O[6]C[6,6a])(H)	C[6,6](C[6,6]N[6,6]O[6]H)(S[6]C[6,6a])(C[6]C[6]HH)2	H(C[6,6]C[6,6]N[6,6]O[6])	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2S[6])(O[6]C[6,6a])(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]N[6,6]O[6]H)(S[6]C[6,6a])(C[6]C[6]HH)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6]N[6,6]O[6])	108.0565	0.019	2	108.0565	0.000	2	108.0565	0.000	2	108.0565	0.000	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:2:1:	4:3:3:4:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:C[6]-3:S-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2S)(O[6]C[6,6a])(H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]C)(SC[6a]OO)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2S)(O[6]C[6,6a])(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]C)(SC[6a]OO){1|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]O[6])	109.2358	0.535	5	109.2358	0.286	5	109.2358	0.286	5	109.2358	0.286	5	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:2:1:	4:3:4:4:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:C[6]-4:S-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2S)(O[6]C[6,6a])(H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]CO)(SCOO)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2S)(O[6]C[6,6a])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]CO)(SCOO){2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]O[6])	106.6000	0.000	1	106.6000	0.000	1	106.6000	0.000	1	106.6000	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:1:1:	4:	C[5,6]-3:C[6,6]-4:N[6]-2:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,3x6]N[5])(C[6,6]C[4x6]HH)(N[6]C[6])(H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[5,6]N[6]H)(H)2	H(C[6,6]C[5,6]C[6,6]N[6])	C[6,6](C[5,6]C[5,3x6]N[5])(C[6,6]C[4x6]HH)(N[6]C[6])(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[5,6]N[6]H)(H)2{1|H<1>,1|N<2>,2|C<3>,3|C<4>}	H(C[6,6]C[5,6]C[6,6]N[6])	109.2880	0.000	1	109.2880	0.000	1	109.2880	0.000	1	108.7273	0.542	18	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:1:1:	4:	C[5,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6,6]N[5])(C[6,6]C[3x6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[5,6]O[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,6,6]N[5])(C[6,6]C[3x6]HH)(O[6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|N<2>,3|C<4>}	H(C[6,6]C[5,6]C[6,6]O[6])	109.8010	0.136	2	109.8010	0.018	2	109.8010	0.018	2	108.7273	0.542	18	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-4:O[6]-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[3x6]HH)(O[6]C[5,5,6])(H)	C[6,6](C[3x6]C[5,5,6,6]C[6,6]C)(C[6,6]C[6,6]O[6]H)(H)2	H(C[6,6]C[6,6]2O[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[3x6]HH)(O[6]C[5,5,6])(H){1|C<3>,1|O<2>,7|C<4>}	C[6,6](C[3x6]C[5,5,6,6]C[6,6]C)(C[6,6]C[6,6]O[6]H)(H)2{3|C<4>,4|C<3>}	H(C[6,6]C[6,6]2O[6])	108.1710	0.000	1	108.1710	0.000	1	108.1710	0.000	1	108.7273	0.542	18	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]O[6]H)(H)2	H(C[6,6]C[6,6]2O[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]O[6]H)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6,6]C[6,6]2O[6])	108.4930	0.112	2	108.4930	0.012	2	108.4930	0.012	2	108.7273	0.542	18	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[5,5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H)	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]N[5])(C[6,6]C[6,6a]O[6]H)(H)2	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]N[5])(C[6,6]C[6,6a]O[6]H)(H)2{1|N<3>,4|C<3>,4|C<4>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.5870	0.000	1	108.3173	0.040	4	108.3173	0.040	4	108.7273	0.542	18	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[5,5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H)	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]N[5])(C[6,6]C[6,6a]O[6]H)(H)2	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]N[5])(C[6,6]C[6,6a]O[6]H)(H)2{1|N<3>,3|C<3>,5|C<4>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.3490	0.000	1	108.3173	0.040	4	108.3173	0.040	4	108.7273	0.542	18	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[5,5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H)	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]N[5])(C[6,6]C[6,6a]O[6]H)(H)2	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]N[5])(C[6,6]C[6,6a]O[6]H)(H)2{3|C<3>,6|C<4>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.1790	0.000	1	108.3173	0.040	4	108.3173	0.040	4	108.7273	0.542	18	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[5,5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H)	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]N[5])(C[6,6]C[6,6a]O[6]H)(H)2	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]N[5])(C[6,6]C[6,6a]O[6]H)(H)2{4|C<3>,5|C<4>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.1540	0.000	1	108.3173	0.040	4	108.3173	0.040	4	108.7273	0.542	18	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]H)(H)2	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]H)(H)2{1|H<1>,5|C<3>}	H(C[6,6]C[6,6a]C[6,6]O[6])	107.9310	0.000	1	107.9310	0.000	1	108.7219	0.763	8	108.7273	0.542	18	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]N[6]C)(H)2	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]N[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.4995	0.030	2	108.4377	0.012	3	108.7219	0.763	8	108.7273	0.542	18	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]N[6]C)(H)2	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]N[6]C)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.3140	0.000	1	108.4377	0.012	3	108.7219	0.763	8	108.7273	0.542	18	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]N[6]H)(H)2	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]N[6]H)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.5760	0.170	3	109.1328	1.259	4	108.7219	0.763	8	108.7273	0.542	18	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]N[6]H)(H)2	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]N[6]H)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	110.8030	0.000	1	109.1328	1.259	4	108.7219	0.763	8	108.7273	0.542	18	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:2:1:	4:	C[5,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){2|H<1>,3|O<2>,4|C<4>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|N<2>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[5,6]C[6,6]O[6])	108.8860	0.000	1	108.8860	0.000	1	108.8860	0.000	1	109.0236	1.105	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:2:1:	4:	C[5a,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[5a,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6,6]C[5a,6]C[6,6]O[6])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[5a,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6,6]C[5a,6]C[6,6]O[6])	108.4500	0.000	1	108.4500	0.000	1	108.4500	0.000	1	109.0236	1.105	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:2:1:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.6480	0.000	1	108.9810	1.427	7	108.9810	1.427	7	109.0236	1.105	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:2:1:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	107.0920	0.000	1	108.9810	1.427	7	108.9810	1.427	7	109.0236	1.105	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:2:1:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	109.9000	0.000	1	108.9810	1.427	7	108.9810	1.427	7	109.0236	1.105	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:2:1:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6,6]C[6,6a]C[6,6]O[6])	107.6620	0.000	1	108.9810	1.427	7	108.9810	1.427	7	109.0236	1.105	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:2:1:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6,6]C[6,6a]C[6,6]O[6])	109.8550	0.063	3	108.9810	1.427	7	108.9810	1.427	7	109.0236	1.105	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:2:1:	4:	N[5a,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]N[5a,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6,6]N[5a,6]C[6,6]O[6])	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]N[5a,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	H(C[6,6]N[5a,6]C[6,6]O[6])	110.0330	0.000	1	110.0330	0.000	1	110.0330	0.000	1	109.0236	1.105	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:3:1:	4:	C[5a,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]2H)(O[6]C[6])(H)	C[6,6](C[6,6]C[5a,6]O[6]H)(C[6]C[6]CS)(C[6]C[6]H)(H)	H(C[6,6]C[5a,6]C[6,6]O[6])	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,1|N<3>,1|S<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[5a,6]O[6]H)(C[6]C[6]CS)(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[5a,6]C[6,6]O[6])	108.7390	0.000	1	108.7390	0.000	1	108.7390	0.000	1	108.5443	0.764	8	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:N[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6])(H)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[6]O[6]C)(COO)(H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[6]O[6]C)(COO)(H){1|H<1>,3|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6])	110.1110	0.000	1	110.1110	0.000	1	110.1110	0.000	1	108.5443	0.764	8	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(O[6]C[6,6a])(H)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]H)(CC[6a]O)(H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(O[6]C[6,6a])(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]H)(CC[6a]O)(H){1|O<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.0350	0.000	1	108.0350	0.000	1	108.1353	0.008	3	108.5443	0.764	8	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(O[6]C[6,6a])(H)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]H)(COO)(H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(O[6]C[6,6a])(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]H)(COO)(H){1|O<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.1855	0.028	2	108.1855	0.001	2	108.1353	0.008	3	108.5443	0.764	8	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(N[6]C[6]S)(H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(O[6]C[6])(H){1|O<2>,1|S<4>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(N[6]C[6]S)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	107.5270	0.000	1	107.5270	0.000	1	108.3660	1.120	3	108.5443	0.764	8	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]O[6]HH)(N[6]C[6]C)(H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]O[6]HH)(N[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.0160	0.000	1	108.0160	0.000	1	108.3660	1.120	3	108.5443	0.764	8	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]O[6]HH)(N[6]C[6]H)(H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(O[6]C[6])(H){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]O[6]HH)(N[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6,6]C[6,6a]C[6,6]O[6])	109.5550	0.000	1	109.5550	0.000	1	108.3660	1.120	3	108.5443	0.764	8	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]2H)(O[6]C[6,6a])(H)	C[6,6](C[6,6]C[6,6,6a]O[6]H)(C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(H)	H(C[6,6]C[6,6,6a]C[6,6]O[6])	C[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]2H)(O[6]C[6,6a])(H){1|O<2>,4|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6,6a]O[6]H)(C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(H){3|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6,6a]C[6,6]O[6])	107.6360	0.000	1	107.6360	0.000	1	107.6360	0.000	1	108.1257	0.781	28	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(O[6]Si[6])(H)	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6,6a]O[6]H)(C[6]O[6]CC)(H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(O[6]Si[6])(H){1|H<1>,2|O<2>,3|C<3>,5|C<4>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6,6a]O[6]H)(C[6]O[6]CC)(H){1|Si<4>,1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.4640	0.000	1	108.4640	0.000	1	108.4640	0.000	1	108.1257	0.781	28	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)	C[6,6](C[6,6]C[6,6,6a]C[6]H)(C[6,6]C[6,6a]O[6]H)(C[6]O[6]CC)(H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H){1|H<1>,2|O<2>,3|C<4>,4|C<3>}	C[6,6](C[6,6]C[6,6,6a]C[6]H)(C[6,6]C[6,6a]O[6]H)(C[6]O[6]CC)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.1440	0.000	1	108.1440	0.000	1	108.1485	0.000	2	108.1257	0.781	28	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]H)(C[6]C[6]2H)(H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H){3|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]H)(C[6]C[6]2H)(H){2|C<4>,5|C<3>,5|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.1530	0.000	1	108.1530	0.000	1	108.1485	0.000	2	108.1257	0.781	28	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]C[6a]H)(C[6]O[6]HO)(H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(H){2|O<2>,3|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]C[6a]H)(C[6]O[6]HO)(H){6|C<3>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.8210	0.434	2	108.8210	0.188	2	107.9976	0.901	20	108.1257	0.781	28	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.9585	0.046	2	108.8737	0.023	3	107.9976	0.901	20	108.1257	0.781	28	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.7040	0.000	1	108.8737	0.023	3	107.9976	0.901	20	108.1257	0.781	28	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]O[6])	107.0816	0.508	9	107.3614	0.594	11	107.9976	0.901	20	108.1257	0.781	28	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.6205	0.086	2	107.3614	0.594	11	107.9976	0.901	20	108.1257	0.781	28	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.6787	0.572	4	108.6787	0.327	4	107.9976	0.901	20	108.1257	0.781	28	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:4:1:	4:	N[5,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](N[5,6]C[5,6]S[5])(C[6,6]C[6]2H)(O[6]C[6,6a])(H)	C[6,6](C[6,6]N[5,6]O[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)	H(C[6,6]C[6,6]N[5,6]O[6])	C[6,6](N[5,6]C[5,6]S[5])(C[6,6]C[6]2H)(O[6]C[6,6a])(H){2|O<1>,3|H<1>,6|C<3>}	C[6,6](C[6,6]N[5,6]O[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H){1|H<1>,1|S<4>,5|C<3>}	H(C[6,6]C[6,6]N[5,6]O[6])	109.3350	0.419	2	109.3350	0.175	2	109.3350	0.175	2	108.1257	0.781	28	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:4:1:	4:	N[6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2H)(O[6]C[6,6a])(H)	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2H)(O[6]C[6,6a])(H){2|C<4>,4|C<3>,5|H<1>}	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]CH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]N[6]O[6])	108.5290	0.000	1	108.5290	0.000	1	108.5290	0.000	1	108.1257	0.781	28	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:4:1:	4:	N[6]-3:C[6,6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2H)(O[6]C[5,6])(H)	C[6,6](C[6]C[5,6]C[6a]H)2(C[6,6]N[6]O[6]H)(H)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2H)(O[6]C[5,6])(H){1|C<4>,3|H<1>,7|C<3>}	C[6,6](C[6]C[5,6]C[6a]H)2(C[6,6]N[6]O[6]H)(H){1|C<4>,9|C<3>}	H(C[6,6]C[6,6]N[6]O[6])	107.9710	0.000	1	107.9710	0.000	1	107.9710	0.000	1	108.1257	0.781	28	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	3:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[6]C[6]H)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]H)(H){3|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[6]C[6]H)(H){1|O<1>,2|H<1>,5|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.8080	0.000	1	107.8080	0.000	1	107.8080	0.000	1	108.3840	0.664	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	3:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[6]C[6]H)(H){1|O<1>,2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]H)(H){3|H<1>,5|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6])	108.9600	0.000	1	108.9600	0.000	1	108.9600	0.000	1	108.3840	0.664	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	3:4:3:3:	4:	C[6,6,6a]-3:C[6,6]-4:C[5,6]-3:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6a]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6,6a]C[5a,6,6a]C[6,6a,6a])(C[6,6]C[6,6,6a]C[6a]C[6])(C[5,6]C[5,6,6a]C[5,6])(H)	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6,6a]C[5,6]H)(C[6a]C[6a]N[6a])(C[6]C[6]H)	H(C[6,6]C[6,6,6a]C[5,6]C[6,6])	C[6,6](C[6,6,6a]C[5a,6,6a]C[6,6a,6a])(C[6,6]C[6,6,6a]C[6a]C[6])(C[5,6]C[5,6,6a]C[5,6])(H){1|H<1>,1|N<2>,2|C<4>,8|C<3>}	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6,6a]C[5,6]H)(C[6a]C[6a]N[6a])(C[6]C[6]H){1|C<4>,2|H<1>,8|C<3>}	H(C[6,6]C[6,6,6a]C[5,6]C[6,6])	106.7670	0.000	1	106.7670	0.000	1	106.9210	0.047	2	106.9210	0.047	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	3:4:3:3:	4:	C[6,6,6a]-3:C[6,6]-4:C[5,6]-3:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6a]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6]C[6,6,6a]C[6a]C[6])(C[5,6]C[5,5,6,6]C[5,6])(H)	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6,6a]C[5,6]H)(C[6a]C[6a]N[6a])(C[6]C[6]H)	H(C[6,6]C[6,6,6a]C[5,6]C[6,6])	C[6,6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6]C[6,6,6a]C[6a]C[6])(C[5,6]C[5,5,6,6]C[5,6])(H){1|H<1>,1|N<2>,2|C<4>,9|C<3>}	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6,6a]C[5,6]H)(C[6a]C[6a]N[6a])(C[6]C[6]H){2|C<4>,2|H<1>,7|C<3>}	H(C[6,6]C[6,6,6a]C[5,6]C[6,6])	107.0750	0.000	1	107.0750	0.000	1	106.9210	0.047	2	106.9210	0.047	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	3:4:3:4:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(N[6]C[6]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6])	109.3260	0.000	1	109.3260	0.000	1	109.3260	0.000	1	109.3260	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	3:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)(H){4|H<1>,5|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6])	108.3755	0.197	2	108.3755	0.039	2	108.2757	0.049	3	108.2757	0.049	3	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	3:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[6]C[6]H)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HO)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]N[6])	108.0760	0.000	1	108.0760	0.000	1	108.2757	0.049	3	108.2757	0.049	3	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	3:4:4:4:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(N[6]C[6]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(N[6]C[6]C)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6])	108.0720	0.000	1	108.0720	0.000	1	108.0720	0.000	1	108.0720	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:2:3:3:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:O[6]-2:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(N[6]C[6,6a]H)(H)	C[6,6](C[6,6]C[6,6a]N[6]H)(O[6]C[6,6a])(C[6]O[6]O)(COO)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(N[6]C[6,6a]H)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6,6](C[6,6]C[6,6a]N[6]H)(O[6]C[6,6a])(C[6]O[6]O)(COO){1|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6])	110.8410	0.000	1	110.8410	0.000	1	110.8410	0.000	1	110.8410	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:2:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]N)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(O[6]C[6,6a])(C[6]O[6]HH)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]N)(H){1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(O[6]C[6,6a])(C[6]O[6]HH)(H){1|N<3>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.6400	0.000	1	108.6400	0.000	1	108.0305	0.502	6	108.0305	0.502	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:2:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(O[6]C[6,6a])(C[6]O[6]HH)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(H){1|Cl<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(O[6]C[6,6a])(C[6]O[6]HH)(H){1|O<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.7620	0.000	1	107.9086	0.516	5	108.0305	0.502	6	108.0305	0.502	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:2:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(O[6]C[6,6a])(C[6]O[6]HH)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(H){1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(O[6]C[6,6a])(C[6]O[6]HH)(H){1|O<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.6953	0.620	4	107.9086	0.516	5	108.0305	0.502	6	108.0305	0.502	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:3:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(N[6,6]C[6]2)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(N[6,6]C[6]2)(H)2{1|O<1>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.6990	0.000	1	109.6990	0.000	1	109.6990	0.000	1	109.6990	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:3:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]N)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]B)(C[6]C[6]H)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]N)(H){1|B<3>,1|N<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]B)(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.2050	0.000	1	108.2050	0.000	1	108.2050	0.000	1	108.2050	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:1:1:	4:	C[5,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6,6]N[5])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[5,6]N[6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[5,6]C[6,6]N[6])	C[6,6](C[5,6]C[5,6,6]N[5])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[5,6]N[6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|N<2>,2|C<3>,3|C<4>}	H(C[6,6]C[5,6]C[6,6]N[6])	109.8340	0.000	1	109.8340	0.000	1	109.8340	0.000	1	109.4357	0.312	39	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:1:1:	4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[3x6]HH)(N[6]C[6]H)(H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5a,6]C[6,6]N[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[3x6]HH)(N[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5a,6]N[6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[5a,6]C[6,6]N[6])	109.1890	0.000	1	109.1890	0.000	1	109.1890	0.000	1	109.4357	0.312	39	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:1:1:	4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[5a,6]C[6,6]N[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	H(C[6,6]C[5a,6]C[6,6]N[6])	108.8580	0.000	1	109.1020	0.119	2	109.4578	0.458	8	109.4357	0.312	39	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:1:1:	4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[5a,6]C[6,6]N[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|H<1>,1|N<3>,5|C<4>}	H(C[6,6]C[5a,6]C[6,6]N[6])	109.3460	0.000	1	109.1020	0.119	2	109.4578	0.458	8	109.4357	0.312	39	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:1:1:	4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]S)(H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[5a,6]C[6,6]N[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]S)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2{1|N<3>,1|S<4>,2|C<3>,3|C<4>}	H(C[6,6]C[5a,6]C[6,6]N[6])	110.1050	0.000	1	109.9810	0.031	2	109.4578	0.458	8	109.4357	0.312	39	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:1:1:	4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]S)(H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[5a,6]C[6,6]N[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]S)(H){1|S<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2{1|C<4>,1|N<3>,1|O<1>,1|S<4>,2|C<3>}	H(C[6,6]C[5a,6]C[6,6]N[6])	109.8570	0.000	1	109.9810	0.031	2	109.4578	0.458	8	109.4357	0.312	39	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:1:1:	4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[5,6]C[6]H)(H)2	H(C[6,6]C[5a,6]C[6,6]N[6])	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[5,6]C[6]H)(H)2{1|C<4>,2|H<1>,2|S<2>,3|C<3>}	H(C[6,6]C[5a,6]C[6,6]N[6])	109.7985	1.194	2	109.4490	1.080	3	109.4578	0.458	8	109.4357	0.312	39	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:1:1:	4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[5,6]C[6]H)(H)2	H(C[6,6]C[5a,6]C[6,6]N[6])	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[5,6]C[6]H)(H)2{1|H<1>,2|C<4>,2|S<2>,3|C<3>}	H(C[6,6]C[5a,6]C[6,6]N[6])	108.7500	0.000	1	109.4490	1.080	3	109.4578	0.458	8	109.4357	0.312	39	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:1:1:	4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[5a,6]C[6,6]N[6])	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[5a,6]C[6,6]N[6])	109.1490	0.000	1	109.1490	0.000	1	109.4578	0.458	8	109.4357	0.312	39	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[3,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3,6,6]HH)(C[6]C[6]S)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[3,6,6]C[3,6]2H)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3,6,6]HH)(C[6]C[6]S)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[3,6,6]C[3,6]2H)(H)2{1|H<1>,1|S<4>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	110.6800	0.000	1	110.6800	0.000	1	110.6800	0.000	1	109.4357	0.312	39	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]N)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]N)(H){2|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2{1|N<3>,1|O<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.8775	0.476	2	109.4122	0.197	6	109.5217	0.154	19	109.4357	0.312	39	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]N)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]N)(H){2|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2{2|N<2>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.1795	0.191	4	109.4122	0.197	6	109.5217	0.154	19	109.4357	0.312	39	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]O)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]O)(H){2|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2{1|N<3>,1|O<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.3485	0.479	2	109.3593	0.064	6	109.5217	0.154	19	109.4357	0.312	39	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]O)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]O)(H){2|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2{2|O<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.3648	0.171	4	109.3593	0.064	6	109.5217	0.154	19	109.4357	0.312	39	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]H)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]H)(H)2{1|C<4>,1|S<4>,3|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	110.2460	0.000	1	110.2460	0.000	1	109.5217	0.154	19	109.4357	0.312	39	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]N[6]H)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]N[6]H)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.6560	0.000	1	109.6560	0.000	1	109.5217	0.154	19	109.4357	0.312	39	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]S)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]H)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]S)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]H)(H)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	110.0020	0.000	1	109.5675	0.113	4	109.5217	0.154	19	109.4357	0.312	39	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]S)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]H)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]S)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]H)(H)2{1|S<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.4227	0.208	3	109.5675	0.113	4	109.5217	0.154	19	109.4357	0.312	39	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]N[6]H)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]N[6]H)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	110.1110	0.000	1	110.1110	0.000	1	109.5217	0.154	19	109.4357	0.312	39	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6]C[5a,6]H)(H)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[5a,6]O[6]C)(H)2	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6]C[5a,6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[5a,6]O[6]C)(H)2{1|H<1>,1|N<2>,3|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6])	109.5660	0.112	5	109.5660	0.012	5	109.5660	0.012	5	109.4357	0.312	39	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:1:1:	4:	N[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	C[6,6](C[6,6]N[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]N[5a,6]C[6,6]N[6])	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]N[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6,6]N[5a,6]C[6,6]N[6])	108.5570	0.124	3	108.5570	0.015	3	108.5570	0.015	3	109.4357	0.312	39	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:1:1:	4:	N[6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(H)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]N[6]2H)(H)2	H(C[6,6]C[6,6]N[6]2)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]N[6]2H)(H)2{1|C<4>,5|C<3>}	H(C[6,6]C[6,6]N[6]2)	108.2150	0.000	1	108.2150	0.000	1	108.2150	0.000	1	109.4357	0.312	39	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:2:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]HH)(O[6]C[6,6])(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6]O)(H){1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]HH)(O[6]C[6,6])(H){1|C<4>,1|O<1>,3|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.4015	0.518	2	108.4015	0.269	2	108.4015	0.269	2	108.4015	0.269	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6]C[6]2H)(C[6]C[6,6a]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]N)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6]C[6]2H)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,5|C<3>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]N)(H){1|O<1>,2|H<1>,6|C<3>}	H(C[6,6]C[6,6]2C[6])	104.7860	0.000	1	104.7860	0.000	1	104.7860	0.000	1	107.6786	8.870	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]O[6]2H)(COO)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]O[6]2H)(COO)(H){4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.9040	0.000	1	109.9040	0.000	1	109.9040	0.000	1	107.6786	8.870	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]Br)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]Br)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H){1|Br<1>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	111.6850	0.000	1	111.6850	0.000	1	108.4066	1.423	14	107.6786	8.870	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H){3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.0410	0.000	1	108.1635	0.990	6	108.4066	1.423	14	107.6786	8.870	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H){3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.8120	1.162	2	108.1635	0.990	6	108.4066	1.423	14	107.6786	8.870	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H){3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.7220	0.165	2	108.1635	0.990	6	108.4066	1.423	14	107.6786	8.870	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|Si<4>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H){3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.8720	0.000	1	108.1635	0.990	6	108.4066	1.423	14	107.6786	8.870	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H){3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.7850	0.000	1	107.7850	0.000	1	108.4066	1.423	14	107.6786	8.870	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(C[6]O[6]O)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(C[6]O[6]O)(H){2|H<1>,5|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.1510	0.000	1	108.1510	0.000	1	108.4066	1.423	14	107.6786	8.870	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]S[6]H)(C[6]O[6]O)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,1|S<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]S[6]H)(C[6]O[6]O)(H){1|H<1>,5|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.0670	0.000	1	107.0670	0.000	1	108.4066	1.423	14	107.6786	8.870	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]Si)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]Si)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H){1|Si<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.5935	0.342	2	108.5935	0.117	2	108.4066	1.423	14	107.6786	8.870	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]O[6]O)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]HH)(C[6]C[6]H)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]O[6]O)(H){1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]HH)(C[6]C[6]H)(H){1|O<1>,1|O<2>,3|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.4185	0.112	2	108.4185	0.013	2	108.4066	1.423	14	107.6786	8.870	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H){3|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.6487	0.709	3	106.6487	0.502	3	103.7148	34.764	4	107.6786	8.870	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]S)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){1|S<4>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]S)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	94.9134	0.000	1	94.9134	0.000	1	103.7148	34.764	4	107.6786	8.870	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C)(H)	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HS)(N[6,6]C[6]2)(H)	H(C[6,6]C[6,6a]C[6,6]N[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C)(H){1|O<2>,1|S<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HS)(N[6,6]C[6]2)(H){1|O<2>,2|H<1>,3|C<4>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6,6])	107.0940	0.000	1	107.0940	0.000	1	107.0940	0.000	1	107.6786	8.870	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[6]O[6]C)(COO)(H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[6]O[6]C)(COO)(H){1|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6])	105.2130	0.000	1	105.2130	0.000	1	108.5623	5.024	4	107.6786	8.870	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[6]O[6]C)(CCO)(H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[6]O[6]C)(CCO)(H){2|H<1>,3|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6])	109.7490	0.000	1	109.7490	0.000	1	108.5623	5.024	4	107.6786	8.870	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[6]O[6]C)(COO)(H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[6]O[6]C)(COO)(H){2|H<1>,3|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6])	109.4120	0.000	1	109.6435	0.107	2	108.5623	5.024	4	107.6786	8.870	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[6]O[6]C)(COO)(H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[6]O[6]C)(COO)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6])	109.8750	0.000	1	109.6435	0.107	2	108.5623	5.024	4	107.6786	8.870	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(N[6]C[6,6a]S)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(N[6]C[6,6a]S)(H){1|C<4>,2|H<1>,6|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H){1|N<3>,1|S<4>,2|H<1>,7|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6])	109.3680	0.013	2	109.3680	0.000	2	109.3680	0.000	2	107.6786	8.870	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:3:2:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-2:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(N[6]C[6]S)(H)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6]CH)(C[6]O[6]O)(CN)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(N[6]C[6]S)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6]CH)(C[6]O[6]O)(CN){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6a]C[6,6]N[6])	109.4820	0.000	1	109.4820	0.000	1	109.4820	0.000	1	109.4820	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:4:1:	4:	C[5,6]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.9045	0.275	2	106.9045	0.076	2	106.9045	0.076	2	108.2858	2.128	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:4:1:	4:	C[5a,6]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[5,6]C[6]H)(C[6]C[5,6]O)(H)	C[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5a,6]C[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[5,6]C[6]H)(C[6]C[5,6]O)(H){1|C<2>,1|N<3>,1|O<2>,1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[5a,6]C[6,6]C[6])	108.0450	0.000	1	108.0450	0.000	1	108.0450	0.000	1	108.2858	2.128	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:4:1:	4:	C[5a,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H)	C[6,6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(H)	H(C[6,6]C[5a,6]C[6,6]N[6,6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H){1|O<1>,3|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(H){2|C<4>,2|N<3>,4|C<3>,5|H<1>}	H(C[6,6]C[5a,6]C[6,6]N[6,6])	106.8700	0.189	3	106.8700	0.036	3	106.8700	0.036	3	108.2858	2.128	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:4:1:	4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]CH)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(CCHH)(H)	H(C[6,6]C[5a,6]C[6,6]N[6])	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]CH)(N[6]C[6]C)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(CCHH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[5a,6]C[6,6]N[6])	110.4700	0.055	2	110.4700	0.003	2	110.4700	0.003	2	108.2858	2.128	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]2C[6])	107.3270	0.000	1	107.3270	0.000	1	107.3270	0.000	1	108.2858	2.128	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6a]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(CH3)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6a]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(CH3)(H){1|H<1>,1|S<4>,5|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.8560	0.000	1	109.8560	0.000	1	109.8560	0.000	1	108.2858	2.128	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	105.9570	0.000	1	105.9570	0.000	1	105.9570	0.000	1	108.2858	2.128	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<3>,5|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.6220	0.000	1	106.6220	0.000	1	107.8794	1.327	7	108.2858	2.128	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.6890	0.815	3	108.6890	0.664	3	107.8794	1.327	7	108.2858	2.128	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(C[6]N[5]O[6]H)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|O<2>,2|N<3>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(C[6]N[5]O[6]H)(H){1|H<1>,1|S<4>,2|C<4>,5|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.3360	0.000	1	108.3360	0.000	1	107.8794	1.327	7	108.2858	2.128	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|C<4>,3|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<3>,5|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.1850	0.000	1	106.1850	0.000	1	107.8794	1.327	7	108.2858	2.128	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]CC)(C[6]O[6]HH)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]CC)(C[6]O[6]HH)(H){1|H<1>,3|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.9460	0.000	1	107.9460	0.000	1	107.8794	1.327	7	108.2858	2.128	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6a]C[6])(H)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]H)(CH3)(H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6a]C[6])(H){1|O<2>,3|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]H)(CH3)(H){1|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6])	109.5300	0.000	1	109.5300	0.000	1	109.5300	0.000	1	108.2858	2.128	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]C[6,6a]H)(H)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6,6a]CC)(C[6]O[6]HH)(H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]C[6,6a]H)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6,6a]CC)(C[6]O[6]HH)(H){1|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6])	108.8683	2.001	3	108.8683	4.005	3	108.9680	2.710	4	108.2858	2.128	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]C[6,6a]H)(H)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]C[6,6a]H)(H){1|O<2>,4|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(H){1|H<1>,6|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6])	109.2670	0.000	1	109.2670	0.000	1	108.9680	2.710	4	108.2858	2.128	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:4:1:	4:	N[5,6]-3:C[6,6]-4:C[5,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](N[5,6]C[5,5,6]C[5])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)	C[6,6](C[6,6]C[5,6,6]O[6]C)(C[6,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]N[5,6])	C[6,6](N[5,6]C[5,5,6]C[5])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H){1|O<2>,7|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6,6]O[6]C)(C[6,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]N[5,6])	109.6910	0.000	1	109.6910	0.000	1	109.6910	0.000	1	108.2858	2.128	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:4:1:	4:	N[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]CH)(N[6]C[6]S)(H)	C[6,6](C[6,6]N[5a,6]N[6]H)(C[6,6]C[6]2H)(CCHH)(H)	H(C[6,6]N[5a,6]C[6,6]N[6])	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]CH)(N[6]C[6]S)(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]N[5a,6]N[6]H)(C[6,6]C[6]2H)(CCHH)(H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	H(C[6,6]N[5a,6]C[6,6]N[6])	109.3185	0.234	2	109.3185	0.055	2	109.3185	0.055	2	108.2858	2.128	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:4:2:	4:	C[6,6]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6,6a]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HO)(C[6]C[6]HO)(OH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6,6a]O)(H){1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HO)(C[6]C[6]HO)(OH){1|O<1>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]2C[6])	110.9820	0.000	1	110.9820	0.000	1	110.9820	0.000	1	108.7880	9.627	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:4:2:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2(OH)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]O)(H){4|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2(OH){1|C<4>,2|O<1>,3|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.5940	0.000	1	106.5940	0.000	1	106.5940	0.000	1	108.7880	9.627	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:4:4:	4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]2C)(N[6]C[6]H)(H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6]C[6]HH)2(CCHH)	H(C[6,6]C[5a,6]C[6,6]N[6])	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]2C)(N[6]C[6]H)(H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6]C[6]HH)2(CCHH){1|C<4>,2|C<3>,5|H<1>}	H(C[6,6]C[5a,6]C[6,6]N[6])	106.4650	1.742	2	106.4650	3.036	2	106.4650	3.036	2	106.4650	3.036	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	3:3:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6a]C[6]H)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]2H)(C[6]C[6]HH)(H){3|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6a]C[6]H)(H){1|C<4>,4|H<1>,6|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.4780	0.000	1	108.4780	0.000	1	108.4780	0.000	1	108.4780	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	3:4:2:1:	4:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]H)(O[6]C[6])(H)	H(C[6,6]C[5a,6]C[6,6]C[6])	C[6,6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]H)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[6,6]C[5a,6]C[6,6]C[6])	108.0690	0.000	1	108.0690	0.000	1	108.0690	0.000	1	108.0690	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	3:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[6]C[6]H)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)(H){4|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.1760	0.000	1	108.1760	0.000	1	107.7430	0.375	2	107.7430	0.375	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	3:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[6]C[6]H)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HO)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[6]C[6]H)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.3100	0.000	1	107.3100	0.000	1	107.7430	0.375	2	107.7430	0.375	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	3:4:3:4:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,4|C<3>,5|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.6180	0.000	1	106.6180	0.000	1	106.6180	0.000	1	106.6180	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	3:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.5305	0.081	2	106.5305	0.007	2	107.2794	0.778	14	107.4976	1.030	16	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	3:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]N[5,6]HH)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HO)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]N[5,6]HH)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.1390	0.622	3	107.1390	0.386	3	107.2794	0.778	14	107.4976	1.030	16	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	3:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(H){1|N<3>,1|S<4>,2|H<1>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(H){1|N<3>,1|S<4>,2|H<1>,7|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.2430	0.000	1	107.5855	0.213	4	107.2794	0.778	14	107.4976	1.030	16	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	3:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(H){1|N<3>,2|H<1>,8|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(H){1|N<3>,2|H<1>,8|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.6997	0.491	3	107.5855	0.213	4	107.2794	0.778	14	107.4976	1.030	16	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	3:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H){1|O<2>,2|H<1>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H){1|O<2>,2|H<1>,7|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.8345	0.069	2	108.8345	0.005	2	107.2794	0.778	14	107.4976	1.030	16	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	3:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]N[5,6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HO)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]N[5,6]HH)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HO)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.4743	0.419	3	106.4743	0.175	3	107.2794	0.778	14	107.4976	1.030	16	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	3:4:4:1:	4:	N[6,6]-3:C[6,6]-4:C[6]-4:H-1:	N[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6,6a]C[6])(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6,6,6a]C[6])(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](N[6,6]C[6,6,6a]C[6])(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](N[6,6]C[6,6,6a]C[6])(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	109.0245	0.059	2	109.0245	0.003	2	109.0245	0.003	2	107.4976	1.030	16	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	3:4:4:2:	4:	N[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[5a,6]C[6]O)(C[6]C[6]HH)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(OH)	H(C[6,6]N[5a,6]C[6,6]C[6])	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[5a,6]C[6]O)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|N<2>,2|N<3>,4|H<1>}	H(C[6,6]N[5a,6]C[6,6]C[6])	107.9390	0.000	1	107.9390	0.000	1	107.9390	0.000	1	107.9390	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:2:4:1:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[5,6,6])(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[5,6,6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	104.9760	0.000	1	104.9760	0.000	1	104.9760	0.000	1	104.9760	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:3:2:4:	4:	N[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6]H)(O[6]C[6])(CH3)	H(C[6,6]N[5a,6]C[6,6]C[6])	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6]H)(O[6]C[6])(CH3){1|N<2>,2|C<3>,5|H<1>}	H(C[6,6]N[5a,6]C[6,6]C[6])	108.8910	0.000	1	108.8910	0.000	1	108.8910	0.000	1	108.4715	0.352	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:3:2:4:	4:	N[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:	C[6,6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[6,6a]C[6]H)(C[6]C[6]H)(O[6]C[6])(CH3)	H(C[6,6]N[6,6a]C[6,6]C[6])	C[6,6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[6,6](C[6,6]N[6,6a]C[6]H)(C[6]C[6]H)(O[6]C[6])(CH3){3|C<3>,5|H<1>}	H(C[6,6]N[6,6a]C[6,6]C[6])	108.0520	0.000	1	108.0520	0.000	1	108.0520	0.000	1	108.4715	0.352	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:3:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:N[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]H)(N[6]C[6]O)(O)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]O)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]H)(N[6]C[6]O)(O){1|O<1>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.8560	0.000	1	107.8560	0.000	1	107.8560	0.000	1	107.8560	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:3:4:1:	4:	N[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[3,6]HO)(H)	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[3,6]O)(C[6]C[6]HH)(H)	H(C[6,6]N[5a,6]C[6,6]C[6])	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[3,6]HO)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[3,6]O)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,2|O<2>,4|H<1>}	H(C[6,6]N[5a,6]C[6,6]C[6])	114.2220	0.000	1	114.2220	0.000	1	114.2220	0.000	1	114.2220	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:3:4:2:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH){2|C<4>,4|C<3>,5|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.7110	0.000	1	106.7110	0.000	1	106.7110	0.000	1	106.7110	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[3x6]-3:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]HH)(CCHH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]HH)(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.9050	0.000	1	107.9050	0.000	1	107.9050	0.000	1	108.9232	0.735	74	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.6500	0.000	1	108.6500	0.000	1	108.6500	0.000	1	108.9232	0.735	74	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(H)	C[6,6](C[6,6]C[5a,6]C[6]H)2(H)2	H(C[6,6]C[5a,6]C[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[6,6]C[5a,6]C[6]H)2(H)2{2|C<3>,2|N<3>,4|H<1>}	H(C[6,6]C[5a,6]C[6,6]C[6])	109.3247	0.411	4	109.3247	0.169	4	109.3342	0.127	5	108.9232	0.735	74	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[5a,6]C[6,6]C[6])	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(H)2{3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5a,6]C[6,6]C[6])	109.3720	0.000	1	109.3720	0.000	1	109.3342	0.127	5	108.9232	0.735	74	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]O[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]O)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]O[6]HO)(H){1|O<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]O)(H)2{2|C<3>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6]2C[6])	109.8570	0.000	1	109.8570	0.000	1	109.6690	4.169	4	108.9232	0.735	74	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|N<3>,1|N<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	108.1865	0.603	2	109.6063	6.230	3	109.6690	4.169	4	108.9232	0.735	74	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,2|N<3>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	112.4460	0.000	1	109.6063	6.230	3	109.6690	4.169	4	108.9232	0.735	74	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6]C)(H)2	H(C[6,6]C[6,6a]C[6,6]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,2|C<3>,3|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]2)	109.1130	0.147	2	109.1130	0.022	2	109.1130	0.022	2	108.9232	0.735	74	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6,6a]C[6]H)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6,6a]C[6]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.5880	0.000	1	109.5880	0.000	1	109.5880	0.000	1	108.9232	0.735	74	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.4110	0.000	1	109.4110	0.000	1	108.8375	0.610	59	108.9232	0.735	74	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6]CH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]O[6]H)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6]CH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]O[6]H)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.3030	0.361	2	109.3030	0.130	2	108.8375	0.610	59	108.9232	0.735	74	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]BrH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]BrH)(H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2{2|Br<1>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.1985	0.206	2	109.1985	0.042	2	108.8375	0.610	59	108.9232	0.735	74	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]H)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(H){1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]H)(H)2{1|H<1>,5|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.7990	0.000	1	108.7990	0.000	1	108.8375	0.610	59	108.9232	0.735	74	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(H)	C[6,6](C[6,6]C[6,6a]C[6]O[6])(C[6,6]C[6,6a]C[6]H)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]O[6])(C[6,6]C[6,6a]C[6]H)(H)2{2|C<4>,2|H<1>,5|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.3590	0.000	1	109.3590	0.000	1	108.8375	0.610	59	108.9232	0.735	74	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2{4|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.3470	0.070	4	108.3470	0.005	4	108.8375	0.610	59	108.9232	0.735	74	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HN)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HN)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2{2|H<1>,2|N<3>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.3830	0.513	2	108.3830	0.264	2	108.8375	0.610	59	108.9232	0.735	74	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.0280	0.000	1	108.8667	0.021	3	108.8375	0.610	59	108.9232	0.735	74	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.8190	0.000	1	108.8667	0.021	3	108.8375	0.610	59	108.9232	0.735	74	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.7530	0.000	1	108.8667	0.021	3	108.8375	0.610	59	108.9232	0.735	74	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]H)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.0750	0.000	1	109.0750	0.000	1	108.8375	0.610	59	108.9232	0.735	74	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6a]O[6]2)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){2|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6a]O[6]2)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.4580	0.000	1	109.4580	0.000	1	108.8375	0.610	59	108.9232	0.735	74	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]O)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,3|O<2>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.6080	0.000	1	109.5133	0.007	3	108.8375	0.610	59	108.9232	0.735	74	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]O)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.4660	0.038	2	109.5133	0.007	3	108.8375	0.610	59	108.9232	0.735	74	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]C)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]C)(H)2{3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.3160	0.000	1	109.3160	0.000	1	108.8375	0.610	59	108.9232	0.735	74	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]H)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H){1|N<2>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]H)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.6740	0.000	1	109.6740	0.000	1	108.8375	0.610	59	108.9232	0.735	74	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]O[6]2H)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]O[6]2H)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	110.3500	0.000	1	110.3500	0.000	1	108.8375	0.610	59	108.9232	0.735	74	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HS)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]C)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HS)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]C)(H)2{1|S<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.7610	0.000	1	109.7610	0.000	1	108.8375	0.610	59	108.9232	0.735	74	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]BrH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]BrH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2{2|Br<1>,2|C<3>,2|H<1>,2|N<2>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.3140	0.196	6	109.3140	0.038	6	108.8375	0.610	59	108.9232	0.735	74	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2{2|C<3>,2|N<2>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.4574	0.409	5	108.4574	0.167	5	108.8375	0.610	59	108.9232	0.735	74	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]O[6]2H)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]O[6]2H)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.7855	0.159	2	109.7855	0.025	2	108.8375	0.610	59	108.9232	0.735	74	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.4480	0.000	1	108.0715	0.113	4	108.8375	0.610	59	108.9232	0.735	74	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|N<4>,5|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.9460	0.273	3	108.0715	0.113	4	108.8375	0.610	59	108.9232	0.735	74	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|N<3>,1|N<4>,6|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.3884	0.999	16	108.4636	1.031	17	108.8375	0.610	59	108.9232	0.735	74	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.6680	0.000	1	108.4636	1.031	17	108.8375	0.610	59	108.9232	0.735	74	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	N[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[5,6,6]HH)(C[6]C[5,6,6]HH)(H)	C[6,6](N[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6a]C[6]H)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[5,6,6]HH)(C[6]C[5,6,6]HH)(H){1|C<3>,1|N<2>,3|C<4>,3|H<1>}	C[6,6](N[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6a]C[6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.1940	0.000	1	109.1940	0.000	1	109.1940	0.000	1	108.9232	0.735	74	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6,6])(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6,6])(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	108.0910	0.000	1	108.0910	0.000	1	108.0910	0.000	1	107.6615	1.522	8	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(H)	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6a]C[5,6]C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(H){1|C<2>,3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|H<1>,1|N<4>,1|O<1>,3|C<3>}	H(C[6,6]C[6,6a]C[5,6]C[6,6])	105.6360	0.000	1	105.6360	0.000	1	106.6540	1.132	3	107.6615	1.522	8	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(H)	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6a]C[5,6]C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(H){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[5,6]C[6,6])	107.7590	0.000	1	107.1630	0.710	2	106.6540	1.132	3	107.6615	1.522	8	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(H)	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6a]C[5,6]C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(H){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|N<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[5,6]C[6,6])	106.5670	0.000	1	107.1630	0.710	2	106.6540	1.132	3	107.6615	1.522	8	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(OH)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(OH)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.1345	0.095	2	109.1345	0.009	2	109.1345	0.009	2	107.6615	1.522	8	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]FeH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]FeH)(O[6]C[6])(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]FeH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]FeH)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.8730	0.000	1	106.8730	0.000	1	107.4850	0.749	2	107.6615	1.522	8	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.0970	0.000	1	108.0970	0.000	1	107.4850	0.749	2	107.6615	1.522	8	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:2:2:	4:	N[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]OO)(C[6]C[6]CH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(OC)2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]OO)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(OC)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	108.0250	0.000	1	108.0250	0.000	1	108.3820	0.154	3	108.3820	0.154	3	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:2:2:	4:	N[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]OO)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(OC)2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]OO)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(OC)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	108.5605	0.342	2	108.5605	0.117	2	108.3820	0.154	3	108.3820	0.154	3	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:1:	4:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]CH)(C[6]O[6]HH)(H)	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CCH)(H)	H(C[6,6]C[5a,6]C[6,6]C[6])	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]CH)(C[6]O[6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CCH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[6,6]C[5a,6]C[6,6]C[6])	109.2540	0.000	1	109.2540	0.000	1	109.2540	0.000	1	107.8420	2.662	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:1:	4:	C[5a]-3:C[3x6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[5a]C[5a,6a]C[5a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2C)(CHO)(H)	H(C[6,6]C[3x6]C[6,6]C[5a])	C[6,6](C[5a]C[5a,6a]C[5a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2C)(CHO)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C[5a])	107.5030	0.000	1	107.5030	0.000	1	107.5030	0.000	1	107.8420	2.662	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6]-3:C[5,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6,6])(C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(C[6]C[6]C)(H)	H(C[6,6]C[5,6]C[6,6]2)	C[6,6](C[6,6]C[5,6,6]C[6,6])(C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(H){1|C<3>,2|O<2>,3|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,3|H<1>,3|O<2>}	H(C[6,6]C[5,6]C[6,6]2)	105.7200	0.000	1	105.7200	0.000	1	105.7200	0.000	1	107.8420	2.662	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]N[6]O)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]N[6]O)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	108.4150	0.000	1	108.4150	0.000	1	107.2867	1.142	3	107.8420	2.662	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	106.7225	0.612	2	106.7225	0.374	2	107.2867	1.142	3	107.8420	2.662	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]CH)(C[6]C[6]CH)(H)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6,6a]C[6]H)(CC[6a]O)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]CH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6,6a]C[6]H)(CC[6a]O)(H){3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.5340	0.000	1	109.5340	0.000	1	109.5340	0.000	1	107.8420	2.662	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.8330	0.000	1	106.8330	0.000	1	106.4885	0.237	2	107.8420	2.662	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H){2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.1440	0.000	1	106.1440	0.000	1	106.4885	0.237	2	107.8420	2.662	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]N[6]H)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]N[6]H)(C[6]C[6]HO)(H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.9710	0.000	1	106.9710	0.000	1	106.9710	0.000	1	107.8420	2.662	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]C)(CCO)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]C)(CCO)(H){3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.6770	0.330	2	109.6770	0.109	2	109.6770	0.109	2	107.8420	2.662	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6]C[6,6a]C[6a]H)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6]C[6,6a]C[6a]H)(H){1|N<3>,2|H<1>,8|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H){1|N<3>,1|S<4>,2|H<1>,7|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.9730	0.235	2	108.9730	0.055	2	108.9730	0.055	2	107.8420	2.662	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H){3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.3535	0.442	2	108.3535	0.195	2	107.3603	3.280	10	107.8420	2.662	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.6770	0.000	1	108.7770	0.198	4	107.3603	3.280	10	107.8420	2.662	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.8103	0.538	3	108.7770	0.198	4	107.3603	3.280	10	107.8420	2.662	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|C<4>,4|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	104.0810	0.000	1	104.0810	0.000	1	107.3603	3.280	10	107.8420	2.662	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|N<3>,4|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.8750	0.000	1	106.8750	0.000	1	107.3603	3.280	10	107.8420	2.662	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|O<2>,4|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	105.7150	0.000	1	105.7150	0.000	1	107.3603	3.280	10	107.8420	2.662	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]CC)(C[6]C[6]H)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]CC)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	105.1170	0.000	1	105.1170	0.000	1	107.3603	3.280	10	107.8420	2.662	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6a]C[6]H)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6a]C[6]H)(H){2|C<4>,5|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	105.7560	0.000	1	105.7560	0.000	1	107.2083	1.971	3	107.8420	2.662	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HO)(N[6]C[6]H)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HO)(N[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.3110	0.000	1	107.3110	0.000	1	107.2083	1.971	3	107.8420	2.662	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HO)(N[6]C[6]H)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HO)(H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HO)(N[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.5580	0.000	1	108.5580	0.000	1	107.2083	1.971	3	107.8420	2.662	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:N[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(N[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]N)(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(N[6]C[6]HH)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]N)(C[6a]C[6a]2)(H){1|C<4>,5|C<3>,5|H<1>}	H(C[6,6]C[6,6a]C[6,6]N[6])	109.4850	0.000	1	109.4850	0.000	1	109.4850	0.000	1	107.8420	2.662	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:1:	4:	N[5,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6,6]C[6,6]N[5,6]C[6])	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]N[5,6]C[6])	109.7140	1.928	2	109.7140	3.716	2	109.7140	3.716	2	107.8420	2.662	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:2:	4:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OC)	H(C[6,6]C[5a,6]C[6,6]C[6])	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OC){3|C<3>,5|H<1>}	H(C[6,6]C[5a,6]C[6,6]C[6])	107.3605	0.105	2	107.3605	0.011	2	107.3605	0.011	2	107.4045	0.558	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:2:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(OH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(OH){1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.0130	0.000	1	106.0130	0.000	1	106.0130	0.000	1	107.4045	0.558	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:2:	4:	N[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:	C[6,6](N[5a,6]C[5,5a]C[5a,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OC)	H(C[6,6]N[5a,6]C[6,6]C[6])	C[6,6](N[5a,6]C[5,5a]C[5a,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OC){3|C<3>,5|H<1>}	H(C[6,6]N[5a,6]C[6,6]C[6])	108.1670	0.000	1	108.1670	0.000	1	108.1670	0.000	1	107.4045	0.558	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:2:	4:	N[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OC)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OC){1|C<4>,2|C<3>,5|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.7630	0.000	2	107.7630	0.000	2	107.7630	0.000	2	107.4045	0.558	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:3:	4:	N[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]3)(C[6]O[6]HH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6]N[6]O)2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]3)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,2|N<3>,2|O<1>,4|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6]N[6]O)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	108.1690	0.000	1	108.1690	0.000	1	108.1690	0.000	1	108.1690	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:4:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(CHHO)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	107.5690	0.000	1	107.5690	0.000	1	107.0330	0.284	3	107.0330	0.284	3	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:4:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]N)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|N<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]N)(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.7650	0.369	2	106.7650	0.136	2	107.0330	0.284	3	107.0330	0.284	3	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<2>,3|C<4>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.5180	0.000	1	107.5180	0.000	1	107.5180	0.000	1	106.6576	1.048	185	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6]2H)(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	H(C[6,6]C[5a,6]C[6,6]C[6])	C[6,6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6]2H)(C[6]C[6]CC)(H){1|N<3>,2|H<1>,4|C<3>,4|C<4>}	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,1|O<1>,4|C<3>}	H(C[6,6]C[5a,6]C[6,6]C[6])	108.3830	0.000	1	108.3830	0.000	1	107.8707	0.243	3	106.6576	1.048	185	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6]2H)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	H(C[6,6]C[5a,6]C[6,6]C[6])	C[6,6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6]2H)(C[6]C[6]CH)(H){1|N<3>,2|C<3>,2|H<1>,6|C<4>}	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[5a,6]C[6,6]C[6])	107.6145	0.305	2	107.6145	0.093	2	107.8707	0.243	3	106.6576	1.048	185	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6,6]CH)(C[6]C[6]HH)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(CCHH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6,6]CH)(C[6]C[6]HH)(H){2|C<4>,2|N<3>,5|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(CCHH)(H){2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	108.6630	0.000	1	108.6630	0.000	1	108.6630	0.000	1	106.6576	1.048	185	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	108.5650	0.000	1	108.5650	0.000	1	108.5650	0.000	1	106.6576	1.048	185	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|N<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]2C[6])	108.4915	0.009	2	108.4915	0.000	2	108.4915	0.000	2	106.6576	1.048	185	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]O[6]CC)(H)	H(C[6,6]C[6,6a]C[6,6]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,2|C<3>,3|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]O[6]CC)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]2)	109.1240	0.093	2	109.1240	0.009	2	109.1240	0.009	2	106.6576	1.048	185	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(H)	C[6,6](C[5,6]O[5,6]C[6a]C[5])(C[6,6]C[6,6a]C[6]H)(C[6]N[6]HH)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>,4|C<3>}	C[6,6](C[5,6]O[5,6]C[6a]C[5])(C[6,6]C[6,6a]C[6]H)(C[6]N[6]HH)(H){1|C<4>,1|O<2>,1|S<4>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.5100	0.000	1	108.5100	0.000	1	108.0400	0.442	2	106.6576	1.048	185	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6a]N[5,6]O)(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6a]N[5,6]O)(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H){1|C<4>,1|S<4>,2|H<1>,6|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.5700	0.000	1	107.5700	0.000	1	108.0400	0.442	2	106.6576	1.048	185	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H){3|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.6080	0.000	1	107.6080	0.000	1	106.3383	0.674	132	106.6576	1.048	185	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.2963	0.935	86	106.2953	0.673	125	106.3383	0.674	132	106.6576	1.048	185	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<4>,4|C<3>,6|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.1774	0.352	10	106.2953	0.673	125	106.3383	0.674	132	106.6576	1.048	185	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.3332	0.533	29	106.2953	0.673	125	106.3383	0.674	132	106.6576	1.048	185	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H){3|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.9910	0.156	3	106.9910	0.024	3	106.3383	0.674	132	106.6576	1.048	185	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.9910	0.136	2	107.0523	0.021	3	106.3383	0.674	132	106.6576	1.048	185	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.1750	0.000	1	107.0523	0.021	3	106.3383	0.674	132	106.6576	1.048	185	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]O[6]CH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2C)(CCHH)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]O[6]CH)(H){1|C<4>,1|O<2>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2C)(CCHH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.4460	0.000	1	108.4460	0.000	1	108.4460	0.000	1	106.6576	1.048	185	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]O[6]CC)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H){1|H<1>,1|O<1>,2|C<3>,3|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]O[6]CC)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.0390	0.639	2	107.0390	0.409	2	106.9931	0.622	10	106.6576	1.048	185	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]H)(C[6]C[6]2H)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]H)(C[6]C[6]2H)(H){2|C<4>,5|C<3>,5|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.7280	0.000	1	108.7280	0.000	1	106.9931	0.622	10	106.6576	1.048	185	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.9865	0.301	2	106.7321	0.284	7	106.9931	0.622	10	106.6576	1.048	185	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<4>,4|C<3>,6|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.6304	0.598	5	106.7321	0.284	7	106.9931	0.622	10	106.6576	1.048	185	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){4|H<1>,7|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.2800	0.000	1	107.2800	0.000	1	107.2124	1.252	27	106.6576	1.048	185	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]ClH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]ClH)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.2702	1.554	6	106.2702	2.416	6	107.2124	1.252	27	106.6576	1.048	185	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|S<2>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.1640	0.000	1	106.1640	0.000	1	107.2124	1.252	27	106.6576	1.048	185	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.9658	1.044	5	107.9658	1.090	5	107.2124	1.252	27	106.6576	1.048	185	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]N[6]CH)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]N[6]CH)(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.7390	0.000	1	107.7390	0.000	1	107.2124	1.252	27	106.6576	1.048	185	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.1980	0.000	1	108.2215	0.001	2	107.2124	1.252	27	106.6576	1.048	185	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.2450	0.000	1	108.2215	0.001	2	107.2124	1.252	27	106.6576	1.048	185	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.0132	0.680	4	107.0132	0.462	4	107.2124	1.252	27	106.6576	1.048	185	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,3|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.5350	0.902	2	107.5350	0.814	2	107.2124	1.252	27	106.6576	1.048	185	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)2(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)2(H){1|C<4>,2|H<1>,6|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.5795	0.675	2	107.5795	0.456	2	107.2124	1.252	27	106.6576	1.048	185	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]S[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|S<2>,3|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]S[6]H)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.2420	0.000	1	106.2420	0.000	1	107.2124	1.252	27	106.6576	1.048	185	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.5675	0.235	2	107.5675	0.055	2	107.2124	1.252	27	106.6576	1.048	185	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(N[6]C[6]CH)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(N[6]C[6]CH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.3210	0.000	1	108.3210	0.000	1	108.3210	0.000	1	106.6576	1.048	185	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	N[4x6]-3:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](N[4x6]C[5,3x6]C[3x6])(C[6,6]C[3x6]CH)(CH3)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]N[4x6]CH)(CHHO)(H)	H(C[6,6]C[6,6]N[4x6]C)	C[6,6](N[4x6]C[5,3x6]C[3x6])(C[6,6]C[3x6]CH)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]N[4x6]CH)(CHHO)(H){3|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[4x6]C)	107.5930	0.000	1	107.5930	0.000	1	107.5930	0.000	1	106.6576	1.048	185	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	N[5,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[6,6]C[6,6]N[5,6]C[6])	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[5,6]C[6])	106.3130	0.000	1	106.3130	0.000	1	106.3130	0.000	1	106.6576	1.048	185	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:2:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(O[6]C[6,6])	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O[6])(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(O[6]C[6,6]){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	105.9860	0.000	1	105.9860	0.000	1	105.9860	0.000	1	105.9860	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:3:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(COO)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(COO){1|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.6850	0.000	1	106.3324	0.092	5	106.5298	0.795	22	106.5784	1.048	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:3:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(COO)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(COO){1|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.2442	0.267	4	106.3324	0.092	5	106.5298	0.795	22	106.5784	1.048	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:3:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(COO)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(COO){1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.1180	1.399	7	106.6317	1.036	16	106.5298	0.795	22	106.5784	1.048	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:3:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(COO)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(COO){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.6190	0.000	1	106.6317	1.036	16	106.5298	0.795	22	106.5784	1.048	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:3:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(COO)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(COO){1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.0829	0.217	8	106.6317	1.036	16	106.5298	0.795	22	106.5784	1.048	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:3:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(COO)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HO)(H){5|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(COO){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	105.8850	0.000	1	105.8850	0.000	1	106.5298	0.795	22	106.5784	1.048	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2(COO)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2(COO){3|C<3>,6|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	105.3260	0.000	1	105.3260	0.000	1	105.3260	0.000	1	106.5784	1.048	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]3)(C[6]O[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]3)(C[6]O[6]HH)(H){3|C<4>,3|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C){1|C<4>,1|N<4>,2|C<3>,2|O<2>,8|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.7880	0.000	1	108.7880	0.000	1	108.7880	0.000	1	106.5784	1.048	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:N-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]O[6]HH)(NOO)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N)(C[6]C[6]CH)(H){1|O<2>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]O[6]HH)(NOO){1|C<4>,1|H<1>,6|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	104.9770	0.000	1	104.9770	0.000	1	106.6157	2.024	3	106.5784	1.048	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:N-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(NOO)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(NOO){5|H<1>,7|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.3360	0.000	1	107.3360	0.000	1	106.6157	2.024	3	106.5784	1.048	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:N-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]O[6]HH)(NOO)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]O[6]HH)(NOO){4|H<1>,5|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.5340	0.000	1	107.5340	0.000	1	106.6157	2.024	3	106.5784	1.048	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:4:	4:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5a,6]C[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[5a,6]C[6,6]C[6])	105.8270	0.000	1	105.8270	0.000	1	105.8270	0.000	1	106.4953	1.276	34	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:4:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){2|O<2>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.5205	0.278	2	106.5205	0.077	2	106.6700	0.144	31	106.4953	1.276	34	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:4:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){1|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	105.8090	0.000	1	106.0820	0.149	2	106.6700	0.144	31	106.4953	1.276	34	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:4:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){1|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.3550	0.000	1	106.0820	0.149	2	106.6700	0.144	31	106.4953	1.276	34	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:4:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	106.9365	0.479	2	106.9365	0.229	2	106.6700	0.144	31	106.4953	1.276	34	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:4:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CCHH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.8120	0.444	2	106.8120	0.197	2	106.6700	0.144	31	106.4953	1.276	34	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:4:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.3170	0.230	3	106.6986	0.124	23	106.6700	0.144	31	106.4953	1.276	34	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:4:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.8360	0.263	17	106.6986	0.124	23	106.6700	0.144	31	106.4953	1.276	34	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:4:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.3013	0.372	3	106.6986	0.124	23	106.6700	0.144	31	106.4953	1.276	34	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:4:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	100.5770	0.000	1	100.5770	0.000	1	100.5770	0.000	1	106.4953	1.276	34	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:4:4:	4:	C[6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6]C[6,6]C[6a])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6]C[6a])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6670	0.000	1	107.6670	0.000	1	107.6670	0.000	1	106.4953	1.276	34	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:2:1:	4:2:2:1:	4:	C[6,6]-4:S[6]-2:O[6]-2:H-1:	C[6,6]-4:S[6]-2:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]O[6]S[6]H)(S[6]C[5,6])(O[6]C[6])(H)	C[6,6](C[6,6]O[6]S[6]H)(S[6]C[5,6])(O[6]C[6])(H)	H(C[6,6]C[6,6]O[6]S[6])	C[6,6](C[6,6]O[6]S[6]H)(S[6]C[5,6])(O[6]C[6])(H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6,6](C[6,6]O[6]S[6]H)(S[6]C[5,6])(O[6]C[6])(H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6,6]C[6,6]O[6]S[6])	106.0100	1.335	4	106.0100	1.782	4	106.0100	1.782	4	106.0100	1.782	4	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:2:1:	4:2:4:2:	4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]O)(O[6]C[6,6a])(O[6]C[6])(H)	C[6,6](C[6,6]O[6]2H)(O[6]C[6,6a])(C[6]C[6]HO)(OC)	H(C[6,6]C[6,6]O[6]2)	C[6,6](C[6,6]C[6]O[6]O)(O[6]C[6,6a])(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]O[6]2H)(O[6]C[6,6a])(C[6]C[6]HO)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6,6]C[6,6]O[6]2)	109.2435	0.001	2	109.2435	0.000	2	109.2435	0.000	2	109.2435	0.000	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:2:1:	4:4:1:1:	4:	C[6,6]-4:N[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a])(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]H)(H)2	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a])(O[6]C[6])(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]H)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6,6]C[6,6]N[6]O[6])	108.2640	0.000	1	108.2640	0.000	1	108.2640	0.000	1	107.8672	0.070	4	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:2:1:	4:4:1:1:	4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]O[6]2H)(H)2	H(C[6,6]C[6,6]O[6]2)	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(O[6]C[6])(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]O[6]2H)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6,6]C[6,6]O[6]2)	107.7350	0.024	3	107.7350	0.001	3	107.7350	0.001	3	107.8672	0.070	4	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:2:1:	4:4:2:1:	4:	C[6,6]-4:N[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(N[6]C[6])(O[6]C[6])(H)	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(N[6]C[6])(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6,6]C[6,6]N[6]O[6])	109.8905	0.183	2	109.8905	0.034	2	109.8905	0.034	2	110.0605	0.083	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:2:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(O[6]C[6])2(H)	C[6,6](C[6,6]O[6]2H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6]O[6]2)	C[6,6](C[6,6]C[6]O[6]H)(O[6]C[6])2(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]O[6]2H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]O[6]2)	110.1910	0.367	3	110.1910	0.135	3	110.1910	0.135	3	110.0605	0.083	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:2:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:S[6]-2:H-1:	C[6,6]-4:C[6]-4:S[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]S[6]H)(O[6]C[6])(S[6]C[6])(H)	C[6,6](C[6,6]O[6]S[6]H)(C[6]C[6]HO)(S[6]C[6])(H)	H(C[6,6]C[6,6]O[6]S[6])	C[6,6](C[6,6]C[6]S[6]H)(O[6]C[6])(S[6]C[6])(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]O[6]S[6]H)(C[6]C[6]HO)(S[6]C[6])(H){1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]O[6]S[6])	110.0090	0.000	1	110.0090	0.000	1	110.0090	0.000	1	110.0605	0.083	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:2:1:	4:4:2:2:	4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]O)(O[6]C[6,6])(O[6]C[6])(H)	C[6,6](C[5,6]C[6]N[5]S[5])(C[6,6]O[6]2H)(O[6]C[6,6])(OH)	H(C[6,6]C[6,6]O[6]2)	C[6,6](C[6,6]C[5,6]O[6]O)(O[6]C[6,6])(O[6]C[6])(H){1|N<2>,1|S<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[6]N[5]S[5])(C[6,6]O[6]2H)(O[6]C[6,6])(OH){1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]O[6]2)	109.4720	0.000	1	109.4720	0.000	1	109.4720	0.000	1	109.4720	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:2:1:	4:4:3:1:	4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CH)(O[6]C[5a,6])(O[6]C[6,6a])(H)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6]O[6]2H)(COO)(H)	H(C[6,6]C[6,6]O[6]2)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[5a,6])(O[6]C[6,6a])(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6]O[6]2H)(COO)(H){4|C<3>}	H(C[6,6]C[6,6]O[6]2)	108.1700	0.000	1	108.1700	0.000	1	107.9935	0.062	2	107.9935	0.062	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:2:1:	4:4:3:1:	4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]O[6]2H)(COO)(H)	H(C[6,6]C[6,6]O[6]2)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(O[6]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]O[6]2H)(COO)(H){4|C<3>}	H(C[6,6]C[6,6]O[6]2)	107.8170	0.000	1	107.8170	0.000	1	107.9935	0.062	2	107.9935	0.062	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:2:1:	4:4:3:4:	4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(O[6]C[6])2(H)	C[6,6](C[6,6]O[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	H(C[6,6]C[6,6]O[6]2)	C[6,6](C[6,6]C[6]2C)(O[6]C[6])2(H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]O[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){2|C<4>,4|H<1>}	H(C[6,6]C[6,6]O[6]2)	112.5130	0.000	1	112.5130	0.000	1	112.5130	0.000	1	112.5130	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:2:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(O[6]C[6])2(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]O[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]O[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(O[6]C[6])2(H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]O[6]2H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]O[6]2)	111.9350	0.000	1	111.9350	0.000	1	111.9350	0.000	1	109.1662	1.470	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:2:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[3x6])(O[6]C[6])(H)	C[6,6](C[6,6]C[4x6]C[6]H)(C[6,6]O[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]O[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[3x6])(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[4x6]C[6]H)(C[6,6]O[6]2H)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]O[6]2)	108.0190	0.000	1	108.0190	0.000	1	108.0190	0.000	1	109.1662	1.470	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:2:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(O[6]C[6])(H)	C[6,6](C[6,6]O[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]O[6]2)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(O[6]C[6])(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]O[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]O[6]2)	108.2370	0.000	1	108.2370	0.000	1	108.1375	0.020	2	109.1662	1.470	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:2:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6])2(H)	C[6,6](C[6,6]O[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]O[6]2)	C[6,6](C[6,6]C[6]2H)(O[6]C[6])2(H){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]O[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]O[6]2)	108.0380	0.000	1	108.0380	0.000	1	108.1375	0.020	2	109.1662	1.470	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:2:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(O[6]C[6])(H)	C[6,6](C[6]C[6,6a]HH)(C[6,6]O[6]2H)(C[6]C[6]CH)(H)	H(C[6,6]C[6,6]O[6]2)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(O[6]C[6])(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]O[6]2H)(C[6]C[6]CH)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[6,6]C[6,6]O[6]2)	109.1115	0.900	2	109.1115	0.810	2	109.0133	0.434	3	109.1662	1.470	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:2:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6])2(H)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]O[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]O[6]2)	C[6,6](C[6,6]C[6]2H)(O[6]C[6])2(H){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]O[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6,6]C[6,6]O[6]2)	108.8170	0.000	1	108.8170	0.000	1	109.0133	0.434	3	109.1662	1.470	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:2:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(O[6]C[6])(H)	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(C[6,6]O[6]2H)(H)	H(C[6,6]C[6,6]O[6]2)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(O[6]C[6])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(C[6,6]O[6]2H)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]O[6]2)	110.1230	0.000	1	109.4643	0.454	3	109.4643	0.454	3	109.1662	1.470	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:2:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(O[6]C[6])(H)	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(C[6,6]O[6]2H)(H)	H(C[6,6]C[6,6]O[6]2)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(O[6]C[6])(H){3|H<1>,5|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(C[6,6]O[6]2H)(H){1|H<1>,5|C<3>}	H(C[6,6]C[6,6]O[6]2)	109.1350	0.508	2	109.4643	0.454	3	109.4643	0.454	3	109.1662	1.470	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:3:1:	4:3:2:1:	4:	C[6,6]-4:O[6,6]-2:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O[6]H)(O[6,6]C[6,6])(C[6]C[6]O)(H)	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[6,6]O)(O[6]C[6])(H)	H(C[6,6]C[6,6]O[6,6]C[6])	C[6,6](C[6,6]C[6,6]O[6]H)(O[6,6]C[6,6])(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[6,6]O)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]O[6,6]C[6])	108.3550	0.000	1	108.3550	0.000	1	108.3550	0.000	1	108.3550	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:3:1:	4:3:3:2:	4:	C[6,6]-4:O[6,6]-2:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]O)(O[6,6]C[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]H)(OC)	H(C[6,6]C[6,6]O[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]O)(O[6,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]O[6,6]C[6])	108.1650	0.018	2	108.1650	0.000	2	108.1650	0.000	2	108.1650	0.000	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:3:1:	4:4:1:1:	4:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[6]S)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]H)(H)2	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[6]S)(H){1|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]H)(H)2{1|C<4>,1|S<4>,3|C<3>}	H(C[6,6]C[6,6]N[6]O[6])	108.7110	0.000	1	108.7110	0.000	1	108.7110	0.000	1	108.7110	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:3:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]H)(CH3)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]H)(CH3)(H){1|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	108.5750	0.000	1	108.5750	0.000	1	108.5750	0.000	1	107.8427	0.971	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:3:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	106.5070	0.082	2	106.5070	0.007	2	106.6870	0.101	3	107.8427	0.971	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:3:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HO)(H){1|O<2>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	107.0470	0.000	1	107.0470	0.000	1	106.6870	0.101	3	107.8427	0.971	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:3:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(N[6]C[6]S)(H)	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(N[6]C[6]S)(H){3|H<1>,5|C<3>}	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H){1|H<1>,1|S<4>,5|C<3>}	H(C[6,6]C[6,6]N[6]O[6])	109.2170	0.000	1	109.2170	0.000	1	109.2170	0.000	1	107.8427	0.971	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:3:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(N[6]C[6]C)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]N[6]O[6]H)(C[6]C[6]CH)(H)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]N[6]O[6]H)(C[6]C[6]CH)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]N[6]O[6])	108.4320	0.000	1	108.4320	0.000	1	108.5675	0.037	2	107.8427	0.971	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:3:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(N[6]C[6]C)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]N[6]O[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(N[6]C[6]C)(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]N[6]O[6]H)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]N[6]O[6])	108.7030	0.000	1	108.7030	0.000	1	108.5675	0.037	2	107.8427	0.971	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:3:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[5,6])(N[6]C[6]C)(H)	C[6,6](C[6]C[5,6]C[6a]H)2(C[6,6]N[6]O[6]H)(H)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6]2H)(O[6]C[5,6])(N[6]C[6]C)(H){1|C<4>,3|H<1>,5|C<3>}	C[6,6](C[6]C[5,6]C[6a]H)2(C[6,6]N[6]O[6]H)(H){2|C<4>,8|C<3>}	H(C[6,6]C[6,6]N[6]O[6])	107.7980	0.214	2	107.7980	0.046	2	107.7980	0.046	2	107.8427	0.971	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:3:1:	4:4:4:4:	4:	C[6,6]-4:O[6]-2:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(O[6]C[5,6])(C[6]C[6]H)(H)	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]C[6]C)(O[6]C[5,6])(C[6]C[6]H)(H){1|C<3>,3|H<1>,5|C<4>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,2|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.2190	0.000	1	108.2964	0.083	7	107.7729	2.695	9	107.7729	2.695	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:3:1:	4:4:4:4:	4:	C[6,6]-4:O[6]-2:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(O[6]C[5,6])(C[6]C[6]H)(H)	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]C[6]C)(O[6]C[5,6])(C[6]C[6]H)(H){3|H<1>,6|C<4>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.3093	0.314	6	108.2964	0.083	7	107.7729	2.695	9	107.7729	2.695	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:3:1:	4:4:4:4:	4:	C[6,6]-4:O[6]-2:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(O[6]C[5,6])(C[6]C[6]H)(H)	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CHHO)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]C[6]C)(O[6]C[5,6])(C[6]C[6]H)(H){3|H<1>,6|C<4>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CHHO){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.4330	0.000	1	108.4330	0.000	1	107.7729	2.695	9	107.7729	2.695	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:3:1:	4:4:4:4:	4:	C[6,6]-4:O[6]-2:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(O[6]C[5,6])(C[6]C[6]H)(H)	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HO)(CHHO)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]C[6]C)(O[6]C[5,6])(C[6]C[6]H)(H){1|O<2>,2|H<1>,6|C<4>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HO)(CHHO){1|C<3>,3|C<4>,3|H<1>,3|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	103.4480	0.000	1	103.4480	0.000	1	107.7729	2.695	9	107.7729	2.695	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:4:1:	3:3:4:2:	4:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]2O)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(OH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]2O)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(OH){1|O<2>,3|H<1>,6|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	107.7470	0.000	1	107.7470	0.000	1	107.7470	0.000	1	107.7470	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:4:1:	3:4:3:1:	4:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(O[6]C[6,6a])(C[6]O[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]N)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(O[6]C[6,6a])(C[6]O[6]HH)(H){1|N<3>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]N)(H){1|O<2>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	109.4160	0.000	1	109.4160	0.000	1	109.0258	0.307	6	109.0258	0.307	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:4:1:	3:4:3:1:	4:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(O[6]C[6,6a])(C[6]O[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(O[6]C[6,6a])(C[6]O[6]HH)(H){1|O<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(H){1|Cl<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	107.9510	0.000	1	108.9478	0.338	5	109.0258	0.307	6	109.0258	0.307	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:4:1:	3:4:3:1:	4:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(O[6]C[6,6a])(C[6]O[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(O[6]C[6,6a])(C[6]O[6]HH)(H){1|O<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(H){1|O<2>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	109.1970	0.191	4	108.9478	0.338	5	109.0258	0.307	6	109.0258	0.307	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:4:1:	3:4:3:2:	4:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]O)(O[6]C[6,6a])(C[6]O[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(OH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]C[6]O)(O[6]C[6,6a])(C[6]O[6]HH)(H){1|O<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(OH){1|O<2>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	109.5460	0.000	1	109.5460	0.000	1	109.5460	0.000	1	109.5460	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:4:1:	3:4:4:1:	4:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[5,6,6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[5,6,6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.3080	0.000	1	108.3080	0.000	1	108.3080	0.000	1	108.3080	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:4:1:	4:3:4:1:	4:	C[6,6]-4:N[6]-2:C[6]-4:H-1:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	92.5952	0.000	1	92.5952	0.000	1	92.5952	0.000	1	105.6956	53.775	5	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:4:1:	4:3:4:1:	4:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]CO)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,2|O<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]CO)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	109.2120	0.000	1	109.2120	0.000	1	109.1823	0.018	3	105.6956	53.775	5	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:4:1:	4:3:4:1:	4:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]CO)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|O<2>,4|C<3>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]CO)(H){2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	109.1675	0.186	2	109.1675	0.035	2	109.1823	0.018	3	105.6956	53.775	5	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:4:1:	4:3:4:1:	4:	C[6,6]-4:S[6]-2:C[6]-4:H-1:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(S[6]C[6,6a])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]S[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]S[6])	C[6,6](C[6,6]C[6]N[6]H)(S[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]S[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]S[6])	108.3360	0.000	1	108.3360	0.000	1	108.3360	0.000	1	105.6956	53.775	5	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:4:1:	4:3:4:2:	4:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:C-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]CH)(CN)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2C)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]CH)(CN){2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	108.8810	0.000	1	108.8810	0.000	1	108.8810	0.000	1	108.8810	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:4:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]O[6]H)(O[6]C[5,6,6])(C[6]C[6]HH)(H)	C[6,6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6,6]O[6]H)(O[6]C[5,6,6])(C[6]C[6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.2580	0.185	2	109.2580	0.034	2	109.2580	0.034	2	107.8790	0.898	7	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:4:1:	4:4:2:1:	4:	C[6,6]-4:S[6]-2:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HO)(S[6]C[5,6,6])(C[6]C[6]HH)(H)	C[6,6](C[5,6,6]N[5,6,6]C[5,6]H)(C[6,6]C[6]S[6]H)(OH)(H)	H(C[6,6]C[6,6]C[6]S[6])	C[6,6](C[6,6]C[5,6,6]HO)(S[6]C[5,6,6])(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6,6](C[5,6,6]N[5,6,6]C[5,6]H)(C[6,6]C[6]S[6]H)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]S[6])	107.3274	0.090	5	107.3274	0.008	5	107.3274	0.008	5	107.8790	0.898	7	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:4:1:	4:4:3:1:	4:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6,6a]O)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]CH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	109.5140	0.000	1	109.5140	0.000	1	109.6717	0.041	3	109.4376	0.123	5	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:4:1:	4:4:3:1:	4:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]CH)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]CH)(C[6]C[6]O)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.9010	0.000	1	109.9010	0.000	1	109.6717	0.041	3	109.4376	0.123	5	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:4:1:	4:4:3:1:	4:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HN)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6,6a]O)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HN)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	109.6000	0.000	1	109.6000	0.000	1	109.6717	0.041	3	109.4376	0.123	5	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:4:1:	4:4:3:1:	4:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.0865	0.012	2	109.0865	0.000	2	109.0865	0.000	2	109.4376	0.123	5	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a])(C[6]C[6]HH)(H){2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.5430	0.000	1	108.5430	0.000	1	108.5430	0.000	1	107.7310	0.495	3	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:4:1:	4:4:4:1:	4:	C[6,6]-4:O[6,6]-2:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(O[6,6]C[6,6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]O[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(O[6,6]C[6,6])(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<2>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]O[6,6]C[6])	107.3030	0.000	1	107.3030	0.000	1	107.3030	0.000	1	107.7310	0.495	3	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:2:4:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<2>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	107.3470	0.000	1	107.3470	0.000	1	107.3470	0.000	1	107.7310	0.495	3	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:1:1:	3:4:3:1:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(N[6,6]C[6]2)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]N[6,6]H)	C[6,6](C[6,6]C[6,6a]C[6]H)(N[6,6]C[6]2)(H)2{1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]N[6,6]H)	110.4085	0.028	2	110.4085	0.001	2	110.4085	0.001	2	110.4085	0.001	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:1:1:	4:3:1:1:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2{2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2{2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.6642	0.673	1010	109.6642	0.453	1010	109.6642	0.453	1010	109.6642	0.453	1010	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:1:	4:	C[6,6]-4:C[3x6]-3:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(C[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2Ga)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]N[3x6]HH)(C[3x6]C[6,6]2)(H)2{1|Ga<5>,2|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2Ga)(C[6,6]C[3x6]HH)(H)2{2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.9410	3.998	6	110.9410	15.987	6	110.9410	15.987	6	109.4448	0.649	901	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)2	C[6,6](C[4,6,6]C[4,5,6]C[4,6]H)(C[6,6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)2{2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,5,6]C[4,6]H)(C[6,6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2H)	108.6771	0.166	7	108.6771	0.027	7	108.7523	0.039	11	109.4448	0.649	901	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)2{2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2H)	108.7145	0.030	2	108.7145	0.001	2	108.7523	0.039	11	109.4448	0.649	901	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)2	C[6,6](C[4,6,6]C[4,6]2O)(C[6,6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6,6](C[4,6,6]C[4,6]2O)(C[6,6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2H)	109.0530	0.007	2	109.0530	0.000	2	108.7523	0.039	11	109.4448	0.649	901	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.1013	0.084	7	109.3472	0.240	206	109.3472	0.240	206	109.4448	0.649	901	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.2514	0.087	19	109.3472	0.240	206	109.3472	0.240	206	109.4448	0.649	901	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.5220	0.085	2	109.3472	0.240	206	109.3472	0.240	206	109.4448	0.649	901	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.2570	0.097	7	109.3472	0.240	206	109.3472	0.240	206	109.4448	0.649	901	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.2278	0.083	74	109.3472	0.240	206	109.3472	0.240	206	109.4448	0.649	901	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.2097	0.064	6	109.3472	0.240	206	109.3472	0.240	206	109.4448	0.649	901	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.4815	0.424	39	109.3472	0.240	206	109.3472	0.240	206	109.4448	0.649	901	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.5252	0.909	46	109.3472	0.240	206	109.3472	0.240	206	109.4448	0.649	901	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.3573	0.279	6	109.3472	0.240	206	109.3472	0.240	206	109.4448	0.649	901	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[5,3x6]HH)(N[3x6]C[6,6]2)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]N[3x6]HH)(H)2{1|N<2>,2|C<4>,3|C<3>}	H(C[6,6]C[6,6]N[3x6]H)	108.9970	0.023	2	109.1562	0.034	4	109.1562	0.034	4	109.4448	0.649	901	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[5,3x6]HH)(N[3x6]C[6,6]2)(H)2{2|H<1>,4|C<3>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]N[3x6]HH)(H)2{1|C<4>,1|N<3>,4|C<3>}	H(C[6,6]C[6,6]N[3x6]H)	109.3155	0.013	2	109.1562	0.034	4	109.1562	0.034	4	109.4448	0.649	901	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.3817	0.285	272	109.3817	0.081	272	109.4971	0.581	643	109.4448	0.649	901	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	110.1937	2.132	4	109.5849	0.941	367	109.4971	0.581	643	109.4448	0.649	901	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.5782	0.954	363	109.5849	0.941	367	109.4971	0.581	643	109.4448	0.649	901	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|O<4>,2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2{2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.2965	0.013	4	109.2965	0.000	4	109.4971	0.581	643	109.4448	0.649	901	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2Cu)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|Cu<5>,2|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2Cu)(C[6,6]N[3x6]HH)(H)2{2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.4658	0.181	14	109.4658	0.033	14	109.4584	0.023	25	109.4448	0.649	901	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2Li)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|Li<4>,2|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2Li)(C[6,6]N[3x6]HH)(H)2{2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.4490	0.113	11	109.4490	0.013	11	109.4584	0.023	25	109.4448	0.649	901	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:1:	4:	C[6,6]-4:P[3x6]-3:H-1:H-1:	Si[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]Si[3x6]HH)(P[3x6]C[6,6]2)(H)2	C[6,6](Si[3x6]C[6,6]2C[6a])(C[6,6]P[3x6]HH)(H)2	H(C[6,6]C[6,6]P[3x6]H)	C[6,6](C[6,6]Si[3x6]HH)(P[3x6]C[6,6]2)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](Si[3x6]C[6,6]2C[6a])(C[6,6]P[3x6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]P[3x6]H)	107.0967	2.238	6	107.0967	5.008	6	107.0967	5.008	6	109.4448	0.649	901	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:2:1:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(H)2{2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H){2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.0250	0.052	4	109.0250	0.003	4	109.0250	0.003	4	109.0250	0.003	4	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H){2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	108.9490	0.027	2	109.4966	1.311	44	109.5088	1.263	46	109.5480	1.221	49	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2{3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H){2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.5227	1.166	42	109.4966	1.311	44	109.5088	1.263	46	109.5480	1.221	49	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(COO)(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2{3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(COO)(H){2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.7770	0.522	2	109.7770	0.272	2	109.5088	1.263	46	109.5480	1.221	49	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H)	H(C[6,6]C[6,6]N[6,6]H)	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2{1|C<4>,1|N<3>,1|O<1>,1|S<1>,4|H<1>}	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]N[6,6]H)	110.4700	0.052	2	110.4700	0.003	2	110.4700	0.003	2	109.5480	1.221	49	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(N[6,6]C[6]2)(H)2	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]N[5]H)(N[6]C[6]C)(H)	H(C[6,6]C[6,6]N[6,6]H)	C[6,6](C[6,6]C[6]N[6]H)(N[6,6]C[6]2)(H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]N[5]H)(N[6]C[6]C)(H){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[6,6]H)	109.5050	0.000	1	109.5050	0.000	1	109.5050	0.000	1	109.5480	1.221	49	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCHH)(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2{3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCHH)(H){2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.2348	0.132	5	109.2348	0.017	5	109.1880	0.018	7	109.5193	0.109	17	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CClCH)(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2{3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CClCH)(H){2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.0710	0.035	2	109.0710	0.001	2	109.1880	0.018	7	109.5193	0.109	17	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]S[6]HH)(H)	H(C[6,6]C[6,6]N[6,6]H)	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2{1|C<4>,1|N<2>,1|S<2>,6|H<1>}	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]S[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6,6]C[6,6]N[6,6]H)	109.8005	0.033	4	109.8005	0.001	4	109.7512	0.036	10	109.5193	0.109	17	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]N[6,6]H)	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2{1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[6,6]H)	109.5607	0.039	4	109.7183	0.061	6	109.7512	0.036	10	109.5193	0.109	17	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]N[6,6]H)	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2{1|N<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[6,6]H)	110.0335	0.043	2	109.7183	0.061	6	109.7512	0.036	10	109.5193	0.109	17	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:2:1:	4:2:3:1:	4:	C[6,6]-4:C[6,6]-3:O[6]-2:H-1:	C[6,6]-4:O[6,6]-2:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[6,6]O)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]O[6]H)(O[6,6]C[6,6])(C[6]C[6]O)(H)	H(C[6,6]C[6,6]2O[6])	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[6,6]O)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]O[6]H)(O[6,6]C[6,6])(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]2O[6])	109.4530	0.000	1	109.4530	0.000	1	109.4530	0.000	1	109.4530	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:2:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){1|C<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.9720	0.000	1	108.9477	0.129	6	108.9477	0.129	6	109.2123	0.239	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:2:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){1|C<2>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.5450	0.000	1	108.9477	0.129	6	108.9477	0.129	6	109.2123	0.239	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:2:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.8310	0.000	1	108.9477	0.129	6	108.9477	0.129	6	109.2123	0.239	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:2:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.7540	0.000	1	108.9477	0.129	6	108.9477	0.129	6	109.2123	0.239	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:2:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.6040	0.000	1	108.9477	0.129	6	108.9477	0.129	6	109.2123	0.239	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:2:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.9800	0.000	1	108.9477	0.129	6	108.9477	0.129	6	109.2123	0.239	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:2:1:	4:3:2:1:	4:	C[6,6]-4:N[6,6]-3:O[6]-2:H-1:	C[6,6]-4:N[6,6]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]O[6]H)(N[6,6]C[6,6a]C[6])(O[6]C[6])(H)	C[6,6](C[6,6]N[6,6]O[6]H)(N[6,6]C[6,6a]C[6])(O[6]C[6])(H)	H(C[6,6]C[6,6]N[6,6]O[6])	C[6,6](C[6,6]N[6,6]O[6]H)(N[6,6]C[6,6a]C[6])(O[6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[6,6]N[6,6]O[6]H)(N[6,6]C[6,6a]C[6])(O[6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]N[6,6]O[6])	109.7095	0.022	2	109.7095	0.000	2	109.7095	0.000	2	109.2123	0.239	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:2:1:	4:3:2:1:	4:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(H)	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(H)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(H){1|H<1>,4|C<3>}	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(H){1|H<1>,4|C<3>}	H(C[6,6]C[6,6]N[6]O[6])	109.8060	0.000	1	109.8060	0.000	1	109.8060	0.000	1	109.2123	0.239	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:2:1:	4:3:2:3:	4:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:N[6]-3:O[6]-2:C-3:	C[6,6]-4:	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6,6a]H)(O[6]C[6,6a])(H)	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(COO)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6,6a]H)(O[6]C[6,6a])(H){1|H<1>,4|C<3>}	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(COO){1|H<1>,4|C<3>}	H(C[6,6]C[6,6]N[6]O[6])	111.0460	0.000	1	111.0460	0.000	1	111.0460	0.000	1	111.0460	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:2:1:	4:3:2:4:	4:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:N[6]-3:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6,6a]H)(O[6]C[6,6a])(H)	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(CH3)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6,6a]H)(O[6]C[6,6a])(H){1|H<1>,4|C<3>}	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(CH3){1|H<1>,4|C<3>}	H(C[6,6]C[6,6]N[6]O[6])	109.7970	0.000	1	109.7970	0.000	1	109.7970	0.000	1	109.7970	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:2:1:	4:3:3:1:	4:	C[6,6]-4:C[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]O)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]2O[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6,6]C[6,6]2O[6])	109.9800	0.000	1	109.9800	0.000	1	109.9800	0.000	1	109.1923	0.587	3	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:2:1:	4:3:3:1:	4:	C[6,6]-4:C[6,6]-3:S[6]-2:H-1:	C[6,6]-4:N[6,6]-3:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]C[6])(S[6]C[6,6a])(H)	C[6,6](C[6,6]C[6,6]S[6]H)(N[6,6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6]2S[6])	C[6,6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]C[6])(S[6]C[6,6a])(H){1|C<4>,7|C<3>}	C[6,6](C[6,6]C[6,6]S[6]H)(N[6,6]C[6,6a]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	H(C[6,6]C[6,6]2S[6])	108.4490	0.000	1	108.4490	0.000	1	108.4490	0.000	1	109.1923	0.587	3	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:2:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6a]-3:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6a]H)(C[6]C[6]H)(O[6]N[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6a]C[6a]2)(N[6,6]C[6]2)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]N[6,6]C[6a]H)(C[6]C[6]H)(O[6]N[6])(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[6]O[6]H)(C[6a]C[6a]2)(N[6,6]C[6]2)(H){1|N<3>,3|C<3>,7|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.1480	0.000	1	109.1480	0.000	1	109.1480	0.000	1	109.1923	0.587	3	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:2:1:	4:3:4:1:	4:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]H)(O[6]C[6])(H)	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]C)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]H)(O[6]C[6])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]C)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]N[6]O[6])	107.3590	0.195	2	107.3590	0.038	2	108.1020	1.675	3	108.1020	1.675	3	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:2:1:	4:3:4:1:	4:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]H)(O[6]C[6])(H)	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]H)(O[6]C[6])(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]N[6]O[6])	109.5880	0.000	1	109.5880	0.000	1	108.1020	1.675	3	108.1020	1.675	3	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:2:1:	4:4:1:1:	4:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:F-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]FH)(N[6]C[6]C)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6]O[6]H)(F)(H)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6,6]FH)(N[6]C[6]C)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6]O[6]H)(F)(H){1|F<1>,2|C<4>,3|C<3>}	H(C[6,6]C[6,6]N[6]O[6])	109.0860	0.000	1	109.0860	0.000	1	109.0860	0.000	1	109.0385	0.005	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:2:1:	4:4:1:1:	4:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:I-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HI)(N[6]C[6]C)(O[6]C[6])(H)	C[6,6](C[6,6]N[6]O[6]H)(C[6,6]C[6]2H)(H)(I)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6,6]HI)(N[6]C[6]C)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6](C[6,6]N[6]O[6]H)(C[6,6]C[6]2H)(H)(I){2|H<1>,4|C<3>}	H(C[6,6]C[6,6]N[6]O[6])	108.9910	0.000	1	108.9910	0.000	1	108.9910	0.000	1	109.0385	0.005	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	107.6960	0.000	1	107.6960	0.000	1	107.6960	0.000	1	109.5854	1.564	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.7560	0.000	1	109.7560	0.000	1	109.5501	1.262	7	109.5854	1.564	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.4380	0.462	2	110.2350	2.013	3	109.5501	1.262	7	109.5854	1.564	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	111.8290	0.000	1	110.2350	2.013	3	109.5501	1.262	7	109.5854	1.564	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]Si[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]Si[6])(H){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.2830	0.000	1	109.2830	0.000	1	109.5501	1.262	7	109.5854	1.564	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]N)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]N)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.4110	0.000	1	108.4110	0.000	1	109.5501	1.262	7	109.5854	1.564	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]H)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,1|O<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.6960	0.000	1	108.6960	0.000	1	109.5501	1.262	7	109.5854	1.564	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:2:1:	4:4:2:1:	4:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(N[6]C[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(N[6]C[6]H)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6,6]C[6,6]N[6]O[6])	110.0880	0.000	1	110.0880	0.000	1	110.0880	0.000	1	109.5854	1.564	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:2:1:	4:4:2:1:	4:	C[6,6]-4:S[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(S[6]C[6]O)(O[6]C[6])(H)	C[6,6](C[6,6]O[6]S[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6]O[6]S[6])	C[6,6](C[6,6]C[6]O[6]H)(S[6]C[6]O)(O[6]C[6])(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]O[6]S[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[6,6]C[6,6]O[6]S[6])	111.2190	0.000	1	111.2190	0.000	1	111.2190	0.000	1	109.5854	1.564	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.5340	0.000	1	108.5340	0.000	1	108.5340	0.000	1	109.1700	0.809	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:2:1:	4:4:3:1:	4:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]C)(O[6]C[6,6])(H)	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6]HO)(N[6]C[6,6a]H)(H)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]C)(O[6]C[6,6])(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6]HO)(N[6]C[6,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6,6]C[6,6]N[6]O[6])	109.8060	0.000	1	109.8060	0.000	1	109.8060	0.000	1	109.1700	0.809	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:2:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6,6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6,6a]O[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6,6a]C[6,6]O[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6,6,6a]O[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6,6a]C[6,6]O[6])	109.2620	0.000	1	109.2620	0.000	1	109.2620	0.000	1	108.8665	0.313	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:2:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2H)(C[6]C[6,6a]O)(CH3)	H(C[6,6]C[6,6]2O[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2H)(C[6]C[6,6a]O)(CH3){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6]2O[6])	108.4710	0.000	1	108.4710	0.000	1	108.4710	0.000	1	108.8665	0.313	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6,6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6,6a]O[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6,6a]C[6,6]O[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6,6a]O[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6,6a]C[6,6]O[6])	109.7050	0.000	1	109.7050	0.000	1	109.7050	0.000	1	101.9681	56.023	4	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:S[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]H)(S[6]C[6])(H)	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]S[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]H)(S[6]C[6])(H){3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]S[6])	96.0827	4.760	2	96.0827	22.661	2	96.0827	22.661	2	101.9681	56.023	4	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(N[6]C[6]S)(O[6]C[6])(H)	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6]2H)(N[6]C[6]S)(O[6]C[6])(H){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[6]O[6])	106.0020	0.000	1	106.0020	0.000	1	106.0020	0.000	1	101.9681	56.023	4	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(CH3)(OC)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(CH3)(OC){3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.3570	0.000	1	108.3570	0.000	1	108.3570	0.000	1	108.3570	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:2:1:	4:4:4:3:	4:	C[6,6]-4:C[6,6,6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6,6a]O[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(CCO)	H(C[6,6]C[6,6,6a]C[6,6]O[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6,6a]O[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(CCO){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6,6a]C[6,6]O[6])	108.2830	0.000	1	108.2830	0.000	1	108.2830	0.000	1	110.8790	13.478	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:2:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2C)(C[6]C[6]H)(O[6]C[6])(H){1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCH){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	113.4750	0.000	1	113.4750	0.000	1	113.4750	0.000	1	110.8790	13.478	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:3:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]B)(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]N)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]B)(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]N)(H){1|B<3>,1|N<2>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9190	0.000	1	107.9190	0.000	1	107.9190	0.000	1	107.9190	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:3:1:	4:3:2:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]O)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(O[6]C[6])(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]2C[6])	109.0830	0.000	1	109.0830	0.000	1	109.0830	0.000	1	107.4027	2.367	3	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:3:1:	4:3:2:1:	4:	C[6,6]-4:C[6a]-3:N[6,6]-3:H-1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6a]C[6a]2)(N[6,6]C[6]2)(H)	C[6,6](C[6,6]N[6,6]C[6a]H)(C[6]C[6]H)(O[6]N[6])(H)	H(C[6,6]C[6,6]N[6,6]C[6a])	C[6,6](C[6,6]C[6]O[6]H)(C[6a]C[6a]2)(N[6,6]C[6]2)(H){1|N<3>,3|C<3>,7|H<1>}	C[6,6](C[6,6]N[6,6]C[6a]H)(C[6]C[6]H)(O[6]N[6])(H){1|H<1>,2|C<4>,3|C<3>}	H(C[6,6]C[6,6]N[6,6]C[6a])	107.0620	0.000	1	107.0620	0.000	1	107.0620	0.000	1	107.4027	2.367	3	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:3:1:	4:3:2:1:	4:	C[6,6]-4:N[6,6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-3:S[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]S[6]H)(N[6,6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]C[6])(S[6]C[6,6a])(H)	H(C[6,6]C[6,6]N[6,6]C[6a])	C[6,6](C[6,6]C[6,6]S[6]H)(N[6,6]C[6,6a]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[6,6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]C[6])(S[6]C[6,6a])(H){1|C<4>,7|C<3>}	H(C[6,6]C[6,6]N[6,6]C[6a])	106.0630	0.000	1	106.0630	0.000	1	106.0630	0.000	1	107.4027	2.367	3	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:3:1:	4:3:3:1:	4:	C[6,6]-4:C[6,6,6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6,6a]-3:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6,6a]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6,6a]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]C)(H)	H(C[6,6]C[6,6,6a]C[6,6]C[6])	C[6,6](C[6,6]C[6,6,6a]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,6|C<3>}	C[6,6](C[6,6]C[6,6,6a]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,6|C<3>}	H(C[6,6]C[6,6,6a]C[6,6]C[6])	105.3235	0.701	2	105.3235	0.491	2	105.3235	0.491	2	106.9630	2.713	5	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:3:1:	4:3:3:1:	4:	C[6,6]-4:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H)	H(C[6,6]C[6,6a]C[6,6]N[6,6])	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6,6])	107.6670	0.703	2	107.6670	0.494	2	107.6670	0.494	2	106.9630	2.713	5	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:3:1:	4:3:3:1:	4:	C[6,6]-4:N[6]-3:N[6]-3:H-1:	C[6,6]-4:N[6]-3:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6]2H)(N[6]C[5a,6]H)2(H)	C[6,6](C[6,6]N[6]2H)(N[6]C[5a,6]H)2(H)	H(C[6,6]C[6,6]N[6]2)	C[6,6](C[6,6]N[6]2H)(N[6]C[5a,6]H)2(H){2|C<3>,2|H<1>,2|N<2>}	C[6,6](C[6,6]N[6]2H)(N[6]C[5a,6]H)2(H){2|C<3>,2|H<1>,2|N<2>}	H(C[6,6]C[6,6]N[6]2)	108.8340	0.000	1	108.8340	0.000	1	108.8340	0.000	1	106.9630	2.713	5	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:3:1:	4:3:4:1:	4:	C[6,6]-4:N[6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]H)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H){1|S<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.9040	0.314	3	107.9040	0.098	3	107.9040	0.098	3	107.9040	0.098	3	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6,6a]O)(C[6]C[6]O)(H)	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6,6a]O)(C[6]C[6]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6,6]C[6]2H)(H)2{2|C<3>,2|C<4>,2|O<1>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.4430	0.000	1	109.4430	0.000	1	109.4430	0.000	1	109.3610	1.461	20	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]C)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]C)(H){1|C<4>,2|N<3>,3|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{3|C<4>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.7723	0.274	3	108.7723	0.075	3	108.8462	0.049	5	109.3610	1.461	20	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]C)(C[6]C[6]O)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]C)(C[6]C[6]O)(H){1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|O<1>,2|C<3>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.9570	0.078	2	108.9570	0.006	2	108.8462	0.049	5	109.3610	1.461	20	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]O)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]O)(C[6]C[6]C)(H){1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2{1|C<4>,1|N<3>,1|O<1>,1|S<4>,2|C<3>}	H(C[6,6]C[6,6]C[6]2)	109.0910	0.000	1	109.0910	0.000	1	109.9179	2.400	8	109.3610	1.461	20	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]C)(C[6]N[6]C)(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]C)(C[6]N[6]C)(H){2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)2(H)2{1|N<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	109.3980	0.000	1	109.3980	0.000	1	109.9179	2.400	8	109.3610	1.461	20	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]H)(C[6]C[6]O)(H){2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)2(H)2{2|C<3>,2|H<1>,2|O<1>}	H(C[6,6]C[6,6]C[6]2)	109.4540	0.061	2	109.4540	0.004	2	109.9179	2.400	8	109.3610	1.461	20	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]O)2(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]O)2(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]2H)2(H)2{2|N<3>,4|O<1>}	H(C[6,6]C[6,6]C[6]2)	108.6090	0.113	2	110.4865	4.705	4	109.9179	2.400	8	109.3610	1.461	20	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]O)2(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]O)2(H){2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)2(H)2{2|N<3>,4|O<1>}	H(C[6,6]C[6,6]C[6]2)	112.3640	0.057	2	110.4865	4.705	4	109.9179	2.400	8	109.3610	1.461	20	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]O)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]O)(N[6]C[6]C)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|O<1>,2|C<3>,4|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	110.2120	0.096	2	110.2120	0.009	2	110.2120	0.009	2	109.3610	1.461	20	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:3:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-3:C-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	H(C[6,6]C[6,6]N[3x6]C)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]O)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[3x6]C)	107.2630	0.000	1	107.2630	0.000	1	107.2630	0.000	1	109.3610	1.461	20	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:3:1:	4:4:1:1:	4:	C[6,6]-4:N[5,6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]N[5,6]C[6]H)(H)2	H(C[6,6]C[6,6]N[5,6]C[6])	C[6,6](C[6,6]C[5,6,6]HH)(N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]N[5,6]C[6]H)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]N[5,6]C[6])	109.2580	0.000	1	109.2580	0.000	1	109.2580	0.000	1	109.3610	1.461	20	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:3:1:	4:4:1:1:	4:	C[6,6]-4:N[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6]C)2(H)	C[6,6](C[6,6]N[6]2H)2(H)2	H(C[6,6]C[6,6]N[6]2)	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6]C)2(H){1|H<1>,2|N<3>,2|O<1>}	C[6,6](C[6,6]N[6]2H)2(H)2{2|C<3>,4|C<4>}	H(C[6,6]C[6,6]N[6]2)	108.6285	0.053	2	108.6285	0.003	2	108.6285	0.003	2	109.3610	1.461	20	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:3:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]C)2(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(OC)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]C)2(H){1|H<1>,2|C<4>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(OC)2{2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.6630	0.000	1	108.6630	0.000	1	108.6630	0.000	1	108.7680	0.022	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:3:1:	4:4:2:2:	4:	C[6,6]-4:N[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]OO)(N[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2{3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]N[6])	108.8730	0.000	1	108.8730	0.000	1	108.8730	0.000	1	108.7680	0.022	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:Br-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]Br)(C[6,6]C[6]2)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6a]O)(Br)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]Br)(C[6,6]C[6]2)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6a]O)(Br){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]2C[6])	104.8440	0.000	1	104.8440	0.000	1	104.8440	0.000	1	107.1624	2.880	7	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]H)(H){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	107.5035	0.561	2	107.5035	0.314	2	106.7390	1.046	4	107.1624	2.880	7	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6a]O)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6a]O)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]2C[6])	105.9745	0.698	2	105.9745	0.487	2	106.7390	1.046	4	107.1624	2.880	7	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]H)(N[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(CCO)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]H)(N[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(CCO)(H){2|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.1685	0.022	2	109.1685	0.000	2	109.1685	0.000	2	107.1624	2.880	7	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:3:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[3,6,6]-4:C[6,6]-4:C[6a]-3:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6a]O)(C[6]C[6]H)2(H)	C[6,6](C[3,6,6]C[3,6]2C[6a])(C[6,6]C[6]2H)(C[6a]C[6a]2)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6,6]C[6a]O)(C[6]C[6]H)2(H){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3,6,6]C[3,6]2C[6a])(C[6,6]C[6]2H)(C[6a]C[6a]2)(OH){6|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.7232	1.030	6	109.7232	1.061	6	109.7232	1.061	6	109.7232	1.061	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:3:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6a]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6a]C)(C[6]N[6]O)2(H)	C[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6a]C)(C[6]N[6]O)2(H){3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2)(CH3){2|C<3>,2|H<1>,2|N<3>,4|O<1>}	H(C[6,6]C[6,6]C[6]2)	108.8405	0.196	2	108.8405	0.038	2	108.8405	0.038	2	109.9592	1.682	4	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:3:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-4:N[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]C)(C[6]C[6,6a]O)2(H)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2H)(N[6]C[6,6a]C)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]C)(C[6]C[6,6a]O)2(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2H)(N[6]C[6,6a]C)(CH3){2|O<1>,6|C<3>}	H(C[6,6]C[6,6]C[6]2)	111.0780	0.000	2	111.0780	0.000	2	111.0780	0.000	2	109.9592	1.682	4	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-3:N[6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N)(N[6]C[6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]N[6]H)(C[6]N[6]HH)(H)	H(C[6,6]C[6,6]2N[6])	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N)(N[6]C[6]C)(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]N[6]H)(C[6]N[6]HH)(H){1|N<2>,1|N<3>,2|C<3>,5|C<4>}	H(C[6,6]C[6,6]2N[6])	109.7480	0.000	1	109.7480	0.000	1	109.7480	0.000	1	107.6083	1.597	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(N[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6,6]C[6,6]2N[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(N[6]C[6]H)(H){1|N<3>,2|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]2N[6])	105.8560	0.000	1	105.8560	0.000	1	105.8560	0.000	1	107.6083	1.597	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[5,5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6]C[6]H)(C[6]C[6]O)2(H)	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,5,6]C[6]H)(C[6]C[6]O)2(H){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<4>,2|O<1>,2|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5940	0.000	1	107.5940	0.000	1	107.5940	0.000	1	107.6083	1.597	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]2H)(C[6]C[6]H)2(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]2H)(C[6]C[6]H)2(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2H)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3070	0.000	1	107.3070	0.000	1	107.3070	0.000	1	107.6083	1.597	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)(H){1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.2250	0.000	1	107.2250	0.000	1	107.5725	0.242	2	107.6083	1.597	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(N[6]C[6]S)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(N[6]C[6]S)(H){3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.9200	0.000	1	107.9200	0.000	1	107.5725	0.242	2	107.6083	1.597	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:3:1:	4:4:4:2:	4:	C[6,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(OH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O)(C[6]C[6]O)(H){3|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(OH){1|O<2>,2|O<1>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	109.1820	0.000	1	109.1820	0.000	1	109.1820	0.000	1	109.1820	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CC)(C[6]N[6]O)2(H)	C[6,6](C[6,6]C[6]2H)2(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]CC)(C[6]N[6]O)2(H){2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)2(CH3)2{2|N<3>,4|O<1>}	H(C[6,6]C[6,6]C[6]2)	109.0060	0.000	1	109.0060	0.000	1	109.0060	0.000	1	108.4659	0.141	23	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[5]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[5]C)(C[6]C[6]H)(N[6]C[6]S)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2C)(C[5]C[5]2O)(CCHH)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]C[5]C)(C[6]C[6]H)(N[6]C[6]S)(H){1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2C)(C[5]C[5]2O)(CCHH){1|C<3>,1|S<4>,5|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.6560	0.194	2	108.6560	0.038	2	108.6560	0.038	2	108.4659	0.141	23	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]N[6]O)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2C)(C[6]N[6]O)(N[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.3710	0.000	1	108.8964	0.140	5	108.8964	0.140	5	108.4659	0.141	23	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]N[6]O)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2C)(C[6]N[6]O)(N[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.9567	0.276	3	108.8964	0.140	5	108.8964	0.140	5	108.4659	0.141	23	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]N[6]O)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2C)(C[6]N[6]O)(N[6]C[6]C)(H){1|O<1>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,1|C<4>,1|N<3>,3|O<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.2410	0.000	1	108.8964	0.140	5	108.8964	0.140	5	108.4659	0.141	23	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:3:1:	4:4:4:4:	4:	C[6,6]-4:N[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6]C)2(H)	C[6,6](C[6,6]N[6]2H)2(CH3)2	H(C[6,6]C[6,6]N[6]2)	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6]C)2(H){1|H<1>,2|N<3>,2|O<1>}	C[6,6](C[6,6]N[6]2H)2(CH3)2{2|C<3>,4|C<4>}	H(C[6,6]C[6,6]N[6]2)	108.2610	0.204	15	108.2610	0.042	15	108.2610	0.042	15	108.4659	0.141	23	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	N[5,6]-3:C[5,6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]N[5,6]H)(C[6]C[5,6]O)(C[6]C[6]HH)(H)	C[6,6](N[5,6]C[5,5,6]C[5])(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]N[5,6]H)(C[6]C[5,6]O)(C[6]C[6]HH)(H){1|C<3>,2|H<1>,5|C<4>}	C[6,6](N[5,6]C[5,5,6]C[5])(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H){1|C<3>,1|O<1>,5|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2860	0.000	2	108.2860	0.000	2	108.2860	0.000	2	108.2860	0.000	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	N[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[3,6]O)(C[6]C[6]HH)(H)	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[3,6]HO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[3,6]O)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,2|O<2>,4|H<1>}	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[3,6]HO)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.7940	0.000	1	109.7940	0.000	1	109.7940	0.000	1	109.7940	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	3:4:4:4:	4:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.3850	0.000	1	106.3850	0.000	1	106.3850	0.000	1	105.1308	1.421	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.1255	0.132	2	106.1255	0.017	2	106.1255	0.017	2	105.1308	1.421	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]O)(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[3x6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]O)(C[6]C[6]CC)(H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.0497	0.120	3	104.0497	0.014	3	104.0497	0.014	3	105.1308	1.421	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]CO)(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]CH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]CO)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,2|O<1>}	H(C[6,6]C[6,6]C[6]2)	108.1220	0.000	1	108.1220	0.000	1	108.2337	0.061	3	105.0750	45.615	5	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]CO)(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]CO)(H){2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|O<2>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.2895	0.320	2	108.2895	0.103	2	108.2337	0.061	3	105.0750	45.615	5	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:2:4:1:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-2:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a])(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	93.0052	0.000	1	93.0052	0.000	1	93.0052	0.000	1	105.0750	45.615	5	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:2:4:1:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:S[6]-2:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]S[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]N[6]H)(S[6]C[6,6a])(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]S[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(S[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.6690	0.000	1	107.6690	0.000	1	107.6690	0.000	1	105.0750	45.615	5	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:2:1:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]C)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]C)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]H)(O[6]C[6])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	106.0530	0.375	2	106.0530	0.140	2	107.1717	3.824	3	107.1717	3.824	3	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:2:1:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]H)(O[6]C[6])(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.4090	0.000	1	109.4090	0.000	1	107.1717	3.824	3	107.1717	3.824	3	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:2:4:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|S<2>,3|C<3>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3){3|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5650	0.242	2	107.5970	0.032	3	107.2903	0.526	6	107.2903	0.526	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:2:4:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3){3|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6610	0.000	1	107.5970	0.032	3	107.2903	0.526	6	107.2903	0.526	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:2:4:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HO)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3){1|O<2>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1380	0.000	1	107.2585	1.547	2	107.2903	0.526	6	107.2903	0.526	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:2:4:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HO)(H){1|Se<2>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3){1|O<2>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.3790	0.000	1	107.2585	1.547	2	107.2903	0.526	6	107.2903	0.526	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:2:4:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]SeH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]SeH)(H){1|Se<2>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3){1|Se<2>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4340	0.000	1	106.4340	0.000	1	107.2903	0.526	6	107.2903	0.526	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:3:1:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H){1|S<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]H)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.5070	0.472	3	108.5070	0.223	3	108.5070	0.223	3	108.5070	0.223	3	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:3:3:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:N[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6a]C[6]N[6])(N[6]C[6a]N[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6a]C[6]N[6])(N[6]C[6a]N[6])(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|S<4>,6|C<3>}	C[6,6](C[6,6]C[6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S){1|N<2>,5|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.9900	0.000	1	107.9900	0.000	1	107.9900	0.000	1	107.9900	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:3:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)(CH3){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]2C[6])	107.0590	0.000	1	107.0590	0.000	1	107.0590	0.000	1	107.0590	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6,6a]-3:C[4,6,6]-4:H-1:	C[6,6]-4:C[6,6,6a]-3:C[4,6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(H)	C[6,6](C[6,6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(H)	H(C[6,6]C[6,6,6a]C[4,6,6]C[6,6])	C[6,6](C[6,6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(H){1|N<2>,3|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(H){1|N<2>,3|C<3>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6,6a]C[4,6,6]C[6,6])	104.6730	1.853	2	104.6730	3.432	2	104.6730	3.432	2	105.3864	31.221	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	110.4195	2.234	2	110.4195	4.990	2	110.4195	4.990	2	105.3864	31.221	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:4:1:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	103.6586	6.609	5	103.6586	43.685	5	103.6586	43.685	5	105.3864	31.221	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	105.4410	0.000	1	107.5007	4.526	3	106.4432	2.178	9	106.4432	2.178	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	107.3710	0.000	1	107.5007	4.526	3	106.4432	2.178	9	106.4432	2.178	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	109.6900	0.000	1	107.5007	4.526	3	106.4432	2.178	9	106.4432	2.178	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<1>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3){1|C<3>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.6695	0.463	4	105.6176	0.174	5	106.4432	2.178	9	106.4432	2.178	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<1>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3){2|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	105.4100	0.000	1	105.6176	0.174	5	106.4432	2.178	9	106.4432	2.178	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	107.3990	0.000	1	107.3990	0.000	1	106.4432	2.178	9	106.4432	2.178	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:1:	4:	C[3x6]-4:C[5a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]C[5a])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){1|C<2>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C[5a])	107.9365	0.009	2	107.7246	0.516	8	107.7246	0.516	8	108.0826	1.992	67	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:1:	4:	C[3x6]-4:C[5a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]C[5a])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){1|O<1>,3|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|N<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C[5a])	106.3930	0.000	1	107.7246	0.516	8	107.7246	0.516	8	108.0826	1.992	67	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:1:	4:	C[3x6]-4:C[5a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]C[5a])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){2|C<3>,2|H<1>,6|C<4>}	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C[5a])	108.0125	0.760	2	107.7246	0.516	8	107.7246	0.516	8	108.0826	1.992	67	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:1:	4:	C[3x6]-4:C[5a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]C[5a])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C[5a])	107.0450	0.000	1	107.7246	0.516	8	107.7246	0.516	8	108.0826	1.992	67	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:1:	4:	C[3x6]-4:C[5a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]C[5a])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C[5a])	108.3620	0.000	1	107.7246	0.516	8	107.7246	0.516	8	108.0826	1.992	67	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:1:	4:	C[3x6]-4:C[5a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]C[5a])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){3|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C[5a])	108.0990	0.000	1	107.7246	0.516	8	107.7246	0.516	8	108.0826	1.992	67	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[5a,6]C[6a]O[6])(C[6,6]C[6,6a]C[5,6]H)(H)2	H(C[6,6]C[6,6a]C[5,6]C[6,6])	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,7|C<3>}	C[6,6](C[6,6]C[5a,6]C[6a]O[6])(C[6,6]C[6,6a]C[5,6]H)(H)2{1|N<3>,7|C<3>}	H(C[6,6]C[6,6a]C[5,6]C[6,6])	108.6590	0.010	2	108.6590	0.000	2	108.6590	0.000	2	108.0826	1.992	67	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C-4:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(CCCO)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CH)(H)2	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(CCCO)(H){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2C)	106.1225	0.135	2	106.1225	0.018	2	106.9442	1.900	4	108.0826	1.992	67	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C-4:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(CCHO)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CH)(H)2	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(CCHO)(H){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2C)	108.9870	0.000	1	108.9870	0.000	1	106.9442	1.900	4	108.0826	1.992	67	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C-4:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(CC[6a]HO)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CH)(H)2	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(CC[6a]HO)(H){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2C)	106.5450	0.000	1	106.5450	0.000	1	106.9442	1.900	4	108.0826	1.992	67	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]O[6])(C[6]C[6]CH)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]O[6])(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	108.5270	0.000	1	108.5270	0.000	1	108.5270	0.000	1	108.0826	1.992	67	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]2)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]2)(C[6]C[6]HO)(H){2|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	108.5710	0.000	1	108.5710	0.000	1	108.5710	0.000	1	108.0826	1.992	67	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]CH)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]CH)(H){1|C<4>,2|N<3>,3|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.1230	0.378	2	108.1957	0.087	3	109.0598	2.028	13	108.0826	1.992	67	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]CH)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]CH)(H){1|C<4>,2|N<3>,3|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,3|C<4>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.3410	0.000	1	108.1957	0.087	3	109.0598	2.028	13	108.0826	1.992	67	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,1|O<1>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.7770	0.000	1	108.8120	2.142	2	109.0598	2.028	13	108.0826	1.992	67	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<4>,2|N<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|H<1>,1|O<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	109.8470	0.000	1	108.8120	2.142	2	109.0598	2.028	13	108.0826	1.992	67	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,1|O<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	110.2460	2.713	3	109.4458	2.637	8	109.0598	2.028	13	108.0826	1.992	67	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H){1|N<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|H<1>,1|O<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	109.1150	0.268	4	109.4458	2.637	8	109.0598	2.028	13	108.0826	1.992	67	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H){1|N<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,1|O<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.3680	0.000	1	109.4458	2.637	8	109.0598	2.028	13	108.0826	1.992	67	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]N)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[5,6]C[6]O)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]N)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,2|N<3>}	C[6,6](C[6,6]N[5,6]C[6]O)(C[6,6]C[6]2H)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.7150	0.000	1	108.7150	0.000	1	109.1285	0.342	2	108.0826	1.992	67	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]N[6]O)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6]O)(C[6,6]C[6]2H)(H)2{1|C<3>,1|N<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.5420	0.000	1	109.5420	0.000	1	109.1285	0.342	2	108.0826	1.992	67	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]CH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	H(C[6,6]C[6,6]N[3x6]C)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]CH)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[3x6]C)	107.2385	0.398	2	107.2385	0.158	2	107.4972	1.485	27	108.0826	1.992	67	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HN)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	H(C[6,6]C[6,6]N[3x6]C)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HN)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[3x6]C)	107.3561	0.335	7	107.3561	0.112	7	107.4972	1.485	27	108.0826	1.992	67	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	H(C[6,6]C[6,6]N[3x6]C)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[3x6]C)	107.6995	1.642	14	107.5534	2.322	17	107.4972	1.485	27	108.0826	1.992	67	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	H(C[6,6]C[6,6]N[3x6]C)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{3|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[3x6]C)	106.8717	0.444	3	107.5534	2.322	17	107.4972	1.485	27	108.0826	1.992	67	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]N[5]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	H(C[6,6]C[6,6]N[3x6]C)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]N[5]H)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{3|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[3x6]C)	108.0470	0.000	1	108.0470	0.000	1	107.4972	1.485	27	108.0826	1.992	67	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:N[4x6]-3:C-4:H-1:	C[3x6]-4:C[6,6]-4:Cl-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]ClH)(N[4x6]C[3x6]2)(CH3)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]CH)(Cl)(H)	H(C[6,6]C[6,6]N[4x6]C)	C[6,6](C[6,6]C[3x6]ClH)(N[4x6]C[3x6]2)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]CH)(Cl)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[4x6]C)	105.6170	0.000	1	105.6170	0.000	1	105.6170	0.000	1	108.0826	1.992	67	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]N[5,6]C[6]H)(H)2	H(C[6,6]C[6,6]N[5,6]C[6])	C[6,6](C[6,6]C[5,6,6]HH)(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]N[5,6]C[6]H)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[5,6]C[6])	108.2520	0.000	1	108.2520	0.000	1	108.2520	0.000	1	108.0826	1.992	67	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6]H)(C[6]C[6]OO)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]N[6]H)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6]H)(C[6]C[6]OO)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]N[6]H)(H)2{2|H<1>,2|O<2>,3|C<3>}	H(C[6,6]C[6,6]C[6]N[6])	108.4270	0.000	1	108.4270	0.000	1	109.3166	1.820	7	108.0826	1.992	67	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]N[6]H)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(C[6]C[6]HH)(H){3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]N[6]H)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	110.3990	2.671	2	110.3990	7.137	2	109.3166	1.820	7	108.0826	1.992	67	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]N[6]H)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]N[6]H)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.6150	0.000	1	108.9977	0.081	4	109.3166	1.820	7	108.0826	1.992	67	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]N[6]H)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]N[6]H)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.1253	0.153	3	108.9977	0.081	4	109.3166	1.820	7	108.0826	1.992	67	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HN)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HN)(H){1|H<1>,1|O<1>,3|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]2C[6])	107.5320	0.000	1	107.5320	0.000	1	107.5320	0.000	1	107.7500	0.095	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]HO)(H)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2H)(O[6]C[6,6a])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]HO)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2H)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.9680	0.000	1	107.9680	0.000	1	107.9680	0.000	1	107.7500	0.095	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[6,6]C[6]C)(C[6,6]C[6]2H)(OC)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6,6]C)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|N<3>}	C[6,6](C[6,6]N[6,6]C[6]C)(C[6,6]C[6]2H)(OC)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2050	0.000	1	108.2050	0.000	1	108.5553	0.093	4	108.0786	1.206	5	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(OC)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6,6]C)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(OC)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5595	0.199	2	108.6720	0.058	3	108.5553	0.093	4	108.0786	1.206	5	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(OC)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6,6]C)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(OC)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.8970	0.000	1	108.6720	0.058	3	108.5553	0.093	4	108.0786	1.206	5	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:2:2:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:S[6]-2:S[6]-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]S[6]2)(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(S[6]C[6])2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6]S[6]2)(N[6,6]C[6]2)(C[6]C[6]CH)(H){4|C<4>,8|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(S[6]C[6])2{1|C<2>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	106.1720	0.000	1	106.1720	0.000	1	106.1720	0.000	1	108.0786	1.206	5	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HO)(H){1|C<2>,1|O<1>,3|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	109.0290	0.000	1	109.0290	0.000	1	109.0290	0.000	1	107.8518	2.047	15	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	107.6360	0.000	1	106.6205	2.062	2	106.6205	2.062	2	107.8518	2.047	15	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	105.6050	0.000	1	106.6205	2.062	2	106.6205	2.062	2	107.8518	2.047	15	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CH)(C[6]N[5a,6]O)(C[6]O[6]CH)(H)	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CCH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]CH)(C[6]N[5a,6]O)(C[6]O[6]CH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CCH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2140	0.000	1	108.2140	0.000	1	108.2140	0.000	1	107.8518	2.047	15	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:Br-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]Br)(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6a]O)(Br)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]Br)(C[6]C[6,6a]O)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6a]O)(Br){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.5230	0.000	1	108.5230	0.000	1	108.5230	0.000	1	107.8518	2.047	15	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6a]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6a]O)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.4700	0.239	2	107.4700	0.057	2	107.4700	0.057	2	107.8518	2.047	15	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]N)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]N)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9210	0.000	1	106.9210	0.000	1	106.9210	0.000	1	107.8518	2.047	15	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HO)(H)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HO)(H){2|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3460	0.000	1	107.3460	0.000	1	107.3460	0.000	1	107.8518	2.047	15	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6,6]H)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,9|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6,6]H)(H){3|H<1>,5|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	111.9070	0.000	1	111.9070	0.000	1	108.6812	3.453	5	107.8518	2.047	15	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,5|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	108.5740	0.000	1	107.8748	0.268	4	108.6812	3.453	5	107.8518	2.047	15	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,2|O<1>,6|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.6417	0.276	3	107.8748	0.268	4	108.6812	3.453	5	107.8518	2.047	15	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:1:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]HO)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]HO)(C[6]C[6]O)(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	106.1570	0.000	1	106.1570	0.000	1	106.1570	0.000	1	107.8518	2.047	15	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:2:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-3:O[6]-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]O[6])(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]2)(O[6]C[6])	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6]N[6]O[6])(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]2)(O[6]C[6]){3|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	109.4950	0.000	1	109.4950	0.000	1	109.4950	0.000	1	109.4950	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CHO)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,2|O<1>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CHO){3|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	104.6335	0.878	2	105.4937	2.605	3	105.6700	1.861	4	105.9182	1.704	5	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CHO)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){2|O<1>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CHO){2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.2140	0.000	1	105.4937	2.605	3	105.6700	1.861	4	105.9182	1.704	5	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CHO)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CHO){1|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	106.1990	0.000	1	106.1990	0.000	1	105.6700	1.861	4	105.9182	1.704	5	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]3)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(C[6]C[6]O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6]3)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<2>,1|O<1>,2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.9110	0.000	1	106.9110	0.000	1	106.9110	0.000	1	105.9182	1.704	5	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6,6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6,6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(CH3){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.8330	0.000	1	106.8330	0.000	1	106.8330	0.000	1	106.6261	0.477	16	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.8605	0.353	2	106.8605	0.125	2	106.6025	0.546	14	106.6261	0.477	16	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	107.0110	0.000	1	106.7370	0.094	10	106.6025	0.546	14	106.6261	0.477	16	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){3|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.3860	0.000	1	106.7370	0.094	10	106.6025	0.546	14	106.6261	0.477	16	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.7466	0.304	8	106.7370	0.094	10	106.6025	0.546	14	106.6261	0.477	16	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.1000	0.000	1	105.6720	4.078	2	106.6025	0.546	14	106.6261	0.477	16	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.2440	0.000	1	105.6720	4.078	2	106.6025	0.546	14	106.6261	0.477	16	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]O)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2H)(C[6]C[6,6a]O)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]O)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2H)(C[6]C[6,6a]O)(CH3){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.7490	0.000	1	106.7490	0.000	1	106.7490	0.000	1	106.6261	0.477	16	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[3x6]-3:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(C[3x6]C[6,6]2)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[6,6]C[3x6]C[6]H)(C[3x6]C[6,6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	H(C[6,6]C[3x6]C[6,6]C[6])	106.3550	0.000	1	106.3550	0.000	1	106.3550	0.000	1	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.6890	0.646	2	106.6890	0.418	2	106.6890	0.418	2	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.1825	0.145	2	108.5438	0.268	4	108.5438	0.268	4	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.2660	0.000	1	108.5438	0.268	4	108.5438	0.268	4	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.5440	0.000	1	108.5438	0.268	4	108.5438	0.268	4	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6,6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6,6a]C[6]H)(C[6,6]C[6,6a]O[6]H)(C[6]O[6]CC)(H)	H(C[6,6]C[6,6,6a]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(H){1|H<1>,3|C<3>,3|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6,6a]C[6]H)(C[6,6]C[6,6a]O[6]H)(C[6]O[6]CC)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6,6a]C[6,6]C[6])	107.3870	0.000	1	107.3870	0.000	1	107.3870	0.000	1	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.6430	0.000	1	106.9495	0.962	2	106.9495	0.962	2	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.2560	0.000	1	106.9495	0.962	2	106.9495	0.962	2	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	107.4550	0.000	1	107.4550	0.000	1	107.2282	0.541	26	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.6120	0.000	1	107.6120	0.000	1	107.2282	0.541	26	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2Br)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){1|Br<1>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2Br)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.7525	0.112	2	106.7525	0.013	2	107.2282	0.541	26	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]FH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|F<1>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]FH)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.2530	0.000	1	107.2530	0.000	1	107.2282	0.541	26	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	106.8850	0.000	1	107.2734	0.656	20	107.2282	0.541	26	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	107.2905	0.877	17	107.2734	0.656	20	107.2282	0.541	26	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.3960	0.000	1	107.2734	0.656	20	107.2282	0.541	26	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	107.2480	0.000	1	107.2734	0.656	20	107.2282	0.541	26	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.6400	0.000	1	106.6400	0.000	1	107.2282	0.541	26	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6]N[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Pd)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6]N[6,6]HH)(H){1|Pd<5>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Pd)(C[6]C[6]HH)(H){1|N<4>,2|C<4>,9|H<1>}	H(C[6,6]C[6,6]2C[6])	107.5240	1.222	2	107.5240	1.493	2	107.5240	1.493	2	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-3:N[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(N[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6,6]C[6,6]2N[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(N[6]C[6]HH)(H){1|N<4>,2|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]2N[6])	105.1790	0.000	1	105.1790	0.000	1	105.1790	0.000	1	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6]C[5,6]H)(C[6]C[5,6,6]O)(C[6]C[5,6]HH)(H)	C[6,6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,5,6]C[5,6]H)(C[6]C[5,6,6]O)(C[6]C[5,6]HH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(H){1|C<3>,1|O<1>,5|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.6940	0.000	1	105.6940	0.000	1	105.6940	0.000	1	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]N)(C[6]C[6]HH)(H)	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]N)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<2>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.5000	0.000	1	105.5000	0.000	1	105.5000	0.000	1	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]O)(C[6]O[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]CH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]O)(C[6]O[6]HH)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.2150	0.000	1	106.2150	0.000	1	107.4303	1.721	3	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.8210	0.000	1	108.8210	0.000	1	107.4303	1.721	3	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HN)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HN)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2550	0.000	1	107.2550	0.000	1	107.4303	1.721	3	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]O)(C[6]C[6]HH)(H)	C[6,6](C[6]C[3,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]O)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6]C[3,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4630	0.000	1	108.4630	0.000	1	107.4384	0.227	10	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6,6](C[6]C[5,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]C)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6]C[5,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|C<3>,2|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.5960	0.000	1	107.5960	0.000	1	107.4384	0.227	10	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6,6](C[6]C[5,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]HH)(H){2|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6]C[5,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6300	0.000	1	107.6300	0.000	1	107.4384	0.227	10	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9090	0.000	1	106.9090	0.000	1	107.4384	0.227	10	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8845	0.081	2	106.8845	0.007	2	107.4384	0.227	10	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>,3|O<2>}	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5580	0.034	2	107.5580	0.001	2	107.4384	0.227	10	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HO)(H)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,3|H<1>,3|O<2>}	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[6,6]C[6,6]C[6]2)	107.4010	0.000	1	107.4010	0.000	1	107.4384	0.227	10	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]O[6]HH)(H)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]O[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5000	0.000	1	107.5000	0.000	1	107.4384	0.227	10	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[3x6]-4:C[3,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[3x6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3,6]C[3,6]O[3]H)(C[6,6]N[6,6]C[6]H)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[3,6]C[3x6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3,6]C[3,6]O[3]H)(C[6,6]N[6,6]C[6]H)(H){1|C<3>,3|H<1>,6|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	108.0280	0.000	1	108.0280	0.000	1	108.0280	0.000	1	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[3x6]N[3x6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|N<3>,3|C<4>,8|H<1>}	C[6,6](C[3x6]N[3x6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	108.7390	0.000	1	108.4625	0.153	2	108.1460	0.250	19	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[3x6]N[3x6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|N<3>,3|C<4>,8|H<1>}	C[6,6](C[3x6]N[3x6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){4|H<1>,6|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	108.1860	0.000	1	108.4625	0.153	2	108.1460	0.250	19	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[3x6]O[6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,9|H<1>}	C[6,6](C[3x6]C[3x6]O[6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){4|H<1>,6|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.5835	0.050	2	107.5835	0.003	2	108.1460	0.250	19	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.7250	0.000	1	108.1961	0.265	14	108.1460	0.250	19	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.8950	0.000	1	108.1961	0.265	14	108.1460	0.250	19	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	108.2360	0.000	1	108.1961	0.265	14	108.1460	0.250	19	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|N<4>,1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	108.6810	0.000	1	108.1961	0.265	14	108.1460	0.250	19	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,1|N<4>,2|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.7590	0.000	1	108.1961	0.265	14	108.1460	0.250	19	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|S<2>,3|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.1310	0.000	1	108.1961	0.265	14	108.1460	0.250	19	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	108.2516	0.442	5	108.1961	0.265	14	108.1460	0.250	19	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	108.5770	0.000	1	108.1961	0.265	14	108.1460	0.250	19	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<4>,1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	108.8550	0.000	1	108.1961	0.265	14	108.1460	0.250	19	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<4>,1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	108.6290	0.000	1	108.1961	0.265	14	108.1460	0.250	19	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HO)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.9360	0.000	1	107.9360	0.000	1	108.1460	0.250	19	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]CH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<4>,1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]CH)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	106.8100	0.000	1	106.8100	0.000	1	107.2915	0.636	12	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){10|H<1>,1|N<3>,2|C<4>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){3|H<1>,5|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	106.6120	0.000	1	107.3133	0.778	9	107.2915	0.636	12	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){4|H<1>,5|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.6447	0.572	6	107.3133	0.778	9	107.2915	0.636	12	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<2>,1|N<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){3|H<1>,5|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	105.5290	0.000	1	107.3133	0.778	9	107.2915	0.636	12	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,8|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.8110	0.000	1	107.3133	0.778	9	107.2915	0.636	12	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6a]HH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){10|H<1>,1|N<3>,2|C<4>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6a]HH)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.9310	0.000	1	107.9310	0.000	1	107.2915	0.636	12	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,8|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	106.9370	0.000	1	106.9370	0.000	1	107.2915	0.636	12	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]C)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]C)(C[6]C[6]CH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	106.6770	0.000	1	106.6770	0.000	1	108.3293	2.371	3	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H){2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.5870	0.000	1	108.5870	0.000	1	108.3293	2.371	3	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]H)(C[6]C[6]HH)(H){2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.7240	0.000	1	109.7240	0.000	1	108.3293	2.371	3	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	N[5,6]-4:C[5,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](N[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[5,6]N[5,6]H)(C[6]C[5,6]CO)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]N[5,6])	C[6,6](N[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H){1|O<2>,7|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]N[5,6]H)(C[6]C[5,6]CO)(C[6]C[6]HH)(H){1|C<3>,2|H<1>,6|C<4>}	H(C[6,6]C[5,6]C[6,6]N[5,6])	105.7290	0.000	1	105.7290	0.000	1	105.7290	0.000	1	107.4693	0.843	90	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:2:	4:	C[5,6]-4:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(H)	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(C[6,6]C[6,6a]C[5,6]C[6,6])	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(H){1|O<2>,2|C<4>,5|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6a]C[5,6]C[6,6])	105.7750	0.000	1	105.7750	0.000	1	105.7750	0.000	1	107.1525	3.795	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]CO)(C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(CCHH)(OSi)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]CO)(C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<4>,2|N<3>,3|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(CCHH)(OSi){2|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.5300	0.000	1	108.5300	0.000	1	108.5300	0.000	1	107.1525	3.795	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CHH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CHH){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	108.0130	0.000	1	108.0130	0.000	1	108.0130	0.000	1	108.0130	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H)	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H){1|C<3>,3|C<4>,3|O<2>,5|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.0150	0.853	2	105.7120	1.821	3	105.7120	1.821	3	106.0992	0.659	86	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H)	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H){1|O<1>,3|H<1>,3|O<2>,4|C<4>}	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.1060	0.000	1	105.7120	1.821	3	105.7120	1.821	3	106.0992	0.659	86	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)	C[6,6](C[5,6]O[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H){2|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[6,6](C[5,6]O[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	104.6100	0.000	1	104.6100	0.000	1	104.6100	0.000	1	106.0992	0.659	86	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|O<2>,4|H<1>,7|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.8180	0.082	2	105.8180	0.007	2	105.8510	0.015	4	106.0992	0.659	86	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	105.8840	0.184	2	105.8840	0.034	2	105.8510	0.015	4	106.0992	0.659	86	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.9860	0.000	1	106.9860	0.000	1	106.9860	0.000	1	106.0992	0.659	86	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]C)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]C)(C[6]C[6]HO)(H){1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CH)(CH3){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.8560	0.000	1	106.8560	0.000	1	106.1330	0.653	72	106.0992	0.659	86	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	105.8655	0.088	2	105.8324	0.479	23	106.1330	0.653	72	106.0992	0.659	86	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	106.2280	0.000	1	105.8324	0.479	23	106.1330	0.653	72	106.0992	0.659	86	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	106.1310	0.000	1	105.8324	0.479	23	106.1330	0.653	72	106.0992	0.659	86	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|O<1>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.7980	0.000	1	105.8324	0.479	23	106.1330	0.653	72	106.0992	0.659	86	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.9070	0.037	2	105.8324	0.479	23	106.1330	0.653	72	106.0992	0.659	86	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.6850	0.000	1	105.8324	0.479	23	106.1330	0.653	72	106.0992	0.659	86	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	105.7490	0.031	2	105.8324	0.479	23	106.1330	0.653	72	106.0992	0.659	86	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.1270	0.000	1	105.8324	0.479	23	106.1330	0.653	72	106.0992	0.659	86	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.0817	0.922	4	105.8324	0.479	23	106.1330	0.653	72	106.0992	0.659	86	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.8509	0.426	8	105.8324	0.479	23	106.1330	0.653	72	106.0992	0.659	86	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	105.7450	0.129	2	105.7450	0.017	2	106.1330	0.653	72	106.0992	0.659	86	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<2>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	106.6990	0.000	1	106.6960	0.000	2	106.1330	0.653	72	106.0992	0.659	86	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	106.6930	0.000	1	106.6960	0.000	2	106.1330	0.653	72	106.0992	0.659	86	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	102.7170	0.000	1	102.7170	0.000	1	106.1330	0.653	72	106.0992	0.659	86	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	105.3900	0.000	1	105.3900	0.000	1	106.1330	0.653	72	106.0992	0.659	86	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.1680	0.000	1	106.4283	0.453	37	106.1330	0.653	72	106.0992	0.659	86	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.4020	0.000	1	106.4283	0.453	37	106.1330	0.653	72	106.0992	0.659	86	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.5570	0.000	1	106.4283	0.453	37	106.1330	0.653	72	106.0992	0.659	86	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.0340	0.000	1	106.4283	0.453	37	106.1330	0.653	72	106.0992	0.659	86	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	105.6870	0.000	1	106.4283	0.453	37	106.1330	0.653	72	106.0992	0.659	86	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.6093	0.294	6	106.4283	0.453	37	106.1330	0.653	72	106.0992	0.659	86	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.6430	0.565	3	106.4283	0.453	37	106.1330	0.653	72	106.0992	0.659	86	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.7395	1.570	4	106.4283	0.453	37	106.1330	0.653	72	106.0992	0.659	86	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.4875	0.122	4	106.4283	0.453	37	106.1330	0.653	72	106.0992	0.659	86	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	107.0225	0.513	4	106.4283	0.453	37	106.1330	0.653	72	106.0992	0.659	86	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.7403	0.527	4	106.4283	0.453	37	106.1330	0.653	72	106.0992	0.659	86	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.2080	0.411	7	106.4283	0.453	37	106.1330	0.653	72	106.0992	0.659	86	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	105.6940	0.034	2	105.6940	0.001	2	106.1330	0.653	72	106.0992	0.659	86	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.3640	0.000	1	106.3640	0.000	1	106.1330	0.653	72	106.0992	0.659	86	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.0020	0.000	1	105.9940	0.000	2	106.1330	0.653	72	106.0992	0.659	86	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HO)(H){4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	105.9860	0.000	1	105.9940	0.000	2	106.1330	0.653	72	106.0992	0.659	86	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]O)(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]O)(C[6]C[6]CC)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.8820	0.000	1	104.8820	0.000	1	104.8820	0.000	1	106.0992	0.659	86	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6a]O)(C[6]C[6]HH)(H){1|O<2>,3|C<3>,5|H<1>}	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	H(C[6,6]C[6,6]C[6]2)	106.3045	0.149	2	106.3045	0.022	2	106.3045	0.022	2	106.0992	0.659	86	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(N[6]C[5a,6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6]C[5a,6]HH)(CH3)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]C[6]C)(N[6]C[5a,6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6]C[5a,6]HH)(CH3){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	106.6610	0.006	2	106.6610	0.000	2	106.6610	0.000	2	106.0992	0.659	86	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-3:C[5a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]N[6,6])(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6])(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){2|C<3>,3|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.7215	0.039	2	109.7215	0.002	2	109.7215	0.002	2	110.1326	0.120	39	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6]O[6]2C)(H)2	C[6,6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6]O[6]2C)(H)2{1|S<2>,3|C<3>}	C[6,6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	H(C[6,6]C[6,6]2H)	110.1410	0.045	2	110.1410	0.002	2	110.1410	0.002	2	110.1326	0.120	39	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5a,6]-3:N[5a,6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]N[5a,6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5a,6]N[5a,6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,1|N<3>,5|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]HH)(H){1|C<4>,2|H<1>,6|C<3>}	H(C[6,6]C[6,6]2H)	109.7325	0.022	2	109.7325	0.000	2	109.7325	0.000	2	110.1326	0.120	39	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[6,6]C[6])2(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6]2H)(H)2{6|C<3>}	C[6,6](C[6,6]C[6,6]C[6])2(C[6,6]C[6,6]HH)(H){1|C<3>,2|O<1>,2|O<2>,4|C<4>}	H(C[6,6]C[6,6]2H)	110.1695	0.023	2	110.1695	0.001	2	110.1695	0.001	2	110.1326	0.120	39	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[5a]O[6]2)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[5a]O[6]2)(H)2{1|S<2>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,3|C<3>}	H(C[6,6]C[6,6]2H)	110.2460	0.000	1	110.2460	0.000	1	110.2024	0.038	8	110.1326	0.120	39	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6]C)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6]C)(H)2{2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6,6]C[6,6]2H)	109.9570	0.006	2	109.9570	0.000	2	110.2024	0.038	8	110.1326	0.120	39	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6a]N[6]O[6])(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6a]N[6]O[6])(H)2{1|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6,6]C[6,6]2H)	110.1743	0.026	3	110.1743	0.001	3	110.2024	0.038	8	110.1326	0.120	39	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]N[6]2H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]N[6]2H)(H)2{1|C<4>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	H(C[6,6]C[6,6]2H)	110.4680	0.030	2	110.4680	0.001	2	110.2024	0.038	8	110.1326	0.120	39	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]2H)(H)2{3|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){2|H<1>,3|C<4>,4|C<3>}	H(C[6,6]C[6,6]2H)	109.8000	0.000	1	109.8000	0.000	1	110.1601	0.175	21	110.1326	0.120	39	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]2H)2(H)2	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a,6a]N[6a])(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]2H)2(H)2{2|N<2>,4|C<3>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a,6a]N[6a])(C[6,6]C[6,6]HH)(H){2|H<1>,6|C<3>}	H(C[6,6]C[6,6]2H)	110.1800	1.809	2	110.1800	3.272	2	110.1601	0.175	21	110.1326	0.120	39	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6a]N[6]O[6])(C[6,6]C[6,6a]2H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6a]N[6]O[6])(C[6,6]C[6,6a]2H)(H)2{1|C<4>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|H<1>,1|N<3>,1|O<1>,2|O<2>,4|C<3>}	H(C[6,6]C[6,6]2H)	110.2048	0.112	4	110.2048	0.013	4	110.1601	0.175	21	110.1326	0.120	39	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6a]2H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6a]2H)(H)2{6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,3|O<2>,4|C<3>}	H(C[6,6]C[6,6]2H)	110.0800	0.023	2	110.1679	0.004	12	110.1601	0.175	21	110.1326	0.120	39	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6a]2H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6a]2H)(H)2{6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|H<1>,3|O<2>,5|C<3>}	H(C[6,6]C[6,6]2H)	110.0940	0.011	2	110.1679	0.004	12	110.1601	0.175	21	110.1326	0.120	39	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6a]2H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6a]2H)(H)2{6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){2|H<1>,2|O<2>,5|C<3>}	H(C[6,6]C[6,6]2H)	110.2084	0.032	8	110.1679	0.004	12	110.1601	0.175	21	110.1326	0.120	39	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6a]2H)(H)2	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6a]2H)(H)2{6|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H){1|H<1>,2|O<2>,6|C<3>}	H(C[6,6]C[6,6]2H)	110.1845	0.037	2	110.1845	0.001	2	110.1601	0.175	21	110.1326	0.120	39	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[5,6]H)(C[6,6]N[6]O[6]C)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]N[5,6]H)(C[6,6]N[6]O[6]C)(H)2{1|C<4>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(H){1|N<2>,1|O<2>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	110.3300	0.016	2	110.3300	0.000	2	110.3300	0.000	2	110.1326	0.120	39	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:3:4:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]2C)(C[6,6]O[6]2O)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]2C)(C[6,6]O[6]2O)(H)2{4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3){2|H<1>,3|O<2>,4|C<3>}	H(C[6,6]C[6,6]2H)	108.7900	2.482	2	108.7900	6.160	2	109.2518	2.338	4	109.2518	2.338	4	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:3:4:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6a]2C)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6a]2C)(H)2{6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3){2|H<1>,2|O<2>,5|C<3>}	H(C[6,6]C[6,6]2H)	109.7135	0.013	2	109.7135	0.000	2	109.2518	2.338	4	109.2518	2.338	4	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	N[3x6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]N[3x6]HH)(H)2	C[6,6](N[3x6]C[6,6,6a]C[6,6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]N[3x6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](N[3x6]C[6,6,6a]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0250	0.035	3	110.0250	0.001	3	110.0250	0.001	3	110.1985	0.019	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:1:1:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	N[3x6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[5,4x6]C[6,6]H)(C[6,6]N[3x6]HH)(H)2	C[6,6](N[3x6]C[5,4x6]C[6,6])(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[5,4x6]C[6,6]H)(C[6,6]N[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](N[3x6]C[5,4x6]C[6,6])(C[6,6]N[3x6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	110.2729	0.080	7	110.2729	0.006	7	110.2729	0.006	7	110.1985	0.019	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,5,6,6]C[6,6]C)(C[6,6]C[6,6]O[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[3x6]HH)(O[6]C[5,5,6])(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,5,6,6]C[6,6]C)(C[6,6]C[6,6]O[6]H)(H)2{3|C<4>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[3x6]HH)(O[6]C[5,5,6])(H){1|C<3>,1|O<2>,7|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.6125	0.008	2	109.6125	0.000	2	109.6125	0.000	2	110.2180	0.050	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:2:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-3:C[6,6]-4:N[6]-2:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[5,6]N[6]H)(H)2	C[6,6](C[5,6]C[5,3x6]N[5])(C[6,6]C[4x6]HH)(N[6]C[6])(H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[5,6]N[6]H)(H)2{1|H<1>,1|N<2>,2|C<3>,3|C<4>}	C[6,6](C[5,6]C[5,3x6]N[5])(C[6,6]C[4x6]HH)(N[6]C[6])(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	110.0000	0.018	2	110.0000	0.000	2	110.0000	0.000	2	110.2180	0.050	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:2:1:	4:	C[5,5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]N[5])(C[6,6]C[6,6a]O[6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H)	H(C[6,6]C[5,5,6,6]C[6,6]H)	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]N[5])(C[6,6]C[6,6a]O[6]H)(H)2{1|N<3>,3|C<3>,5|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[5,5,6,6]C[6,6]H)	110.1700	0.010	2	110.1814	0.003	8	110.1814	0.003	8	110.2180	0.050	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:2:1:	4:	C[5,5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]N[5])(C[6,6]C[6,6a]O[6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H)	H(C[6,6]C[5,5,6,6]C[6,6]H)	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]N[5])(C[6,6]C[6,6a]O[6]H)(H)2{1|N<3>,4|C<3>,4|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(C[6,6]C[5,5,6,6]C[6,6]H)	110.2570	0.016	2	110.1814	0.003	8	110.1814	0.003	8	110.2180	0.050	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:2:1:	4:	C[5,5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]N[5])(C[6,6]C[6,6a]O[6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H)	H(C[6,6]C[5,5,6,6]C[6,6]H)	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]N[5])(C[6,6]C[6,6a]O[6]H)(H)2{3|C<3>,6|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[5,5,6,6]C[6,6]H)	110.1080	0.017	2	110.1814	0.003	8	110.1814	0.003	8	110.2180	0.050	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:2:1:	4:	C[5,5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]N[5])(C[6,6]C[6,6a]O[6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H)	H(C[6,6]C[5,5,6,6]C[6,6]H)	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]N[5])(C[6,6]C[6,6a]O[6]H)(H)2{4|C<3>,5|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[5,5,6,6]C[6,6]H)	110.1905	0.005	2	110.1814	0.003	8	110.1814	0.003	8	110.2180	0.050	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[3x6]C[6,6]2H)(H)2	C[6,6](C[5,6]C[5,6,6]N[5])(C[6,6]C[3x6]HH)(O[6]C[6])(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,6]O[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[6,6](C[5,6]C[5,6,6]N[5])(C[6,6]C[3x6]HH)(O[6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.1260	0.053	4	110.1260	0.003	4	110.1260	0.003	4	110.2180	0.050	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]O[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]O[6]H)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	110.5318	0.142	4	110.5318	0.020	4	110.5318	0.020	4	110.2180	0.050	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]H)(H)2{1|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]2H)	110.3845	0.067	2	110.3845	0.005	2	110.2837	0.021	16	110.2180	0.050	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]N[6]C)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]N[6]C)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2H)	110.2160	0.037	2	110.1292	0.006	6	110.2837	0.021	16	110.2180	0.050	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]N[6]C)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]N[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]2H)	110.0858	0.039	4	110.1292	0.006	6	110.2837	0.021	16	110.2180	0.050	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]N[6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]N[6]H)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]2H)	110.3375	0.056	6	110.3745	0.007	8	110.2837	0.021	16	110.2180	0.050	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]N[6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]N[6]H)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	110.4855	0.056	2	110.3745	0.007	8	110.2837	0.021	16	110.2180	0.050	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:2:2:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5a]-3:C[6,6]-4:O[6]-2:O[6]-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[5a]O[6]2)(H)2	C[6,6](C[5a]C[5a]S[5a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(O[6]C[6,6])	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[5a]O[6]2)(H)2{1|S<2>,5|C<3>}	C[6,6](C[5a]C[5a]S[5a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(O[6]C[6,6]){1|C<4>,2|H<1>,5|C<3>}	H(C[6,6]C[6,6]2H)	110.2475	0.011	2	110.2475	0.000	2	110.2475	0.000	2	110.2475	0.000	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:2:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:O[6]-2:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]O[6])(C[6,6]C[6,6a]C[6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]O[6])(C[6,6]C[6,6a]C[6]H)(H)2{2|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]2H){3|C<4>,4|C<3>,6|H<1>}	H(C[6,6]C[6,6]2H)	109.9270	0.004	2	109.9270	0.000	2	109.9270	0.000	2	110.0335	0.003	12	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:2:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	N[5a,6]-3:C[6,6]-4:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[5a,6]O[6]C)(H)2	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(CH3)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[5a,6]O[6]C)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(CH3){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	H(C[6,6]C[6,6]2H)	110.0548	0.035	10	110.0548	0.001	10	110.0548	0.001	10	110.0335	0.003	12	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[3,6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[3,6,6]C[3,6]2H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3,6,6]HH)(C[6]C[6]S)(H)	H(C[6,6]C[3,6,6]C[6,6]H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[3,6,6]C[3,6]2H)(H)2{1|H<1>,1|S<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3,6,6]HH)(C[6]C[6]S)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3,6,6]C[6,6]H)	109.5150	0.006	2	109.5150	0.000	2	109.5150	0.000	2	109.9422	0.452	73	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]N[6]H)(C[3x6]C[6,6]2H)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[3x6]HH)(N[6]C[6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[3x6]HH)(N[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9560	0.025	2	109.9560	0.001	2	109.9560	0.001	2	109.9422	0.452	73	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]N[6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[5,6]C[5,6,6]N[5])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5,6]N[6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|N<2>,2|C<3>,3|C<4>}	C[6,6](C[5,6]C[5,6,6]N[5])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]2H)	109.7585	0.037	2	109.7585	0.001	2	109.7585	0.001	2	109.9422	0.452	73	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[5,6]C[6]H)(H)2	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[5,6]C[6]H)(H)2{1|C<4>,2|H<1>,2|S<2>,3|C<3>}	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]2H)	109.4900	0.945	4	109.7415	0.688	6	109.6797	1.831	16	109.9422	0.452	73	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[5,6]C[6]H)(H)2	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[5,6]C[6]H)(H)2{1|H<1>,2|C<4>,2|S<2>,3|C<3>}	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]2H)	110.2445	0.040	2	109.7415	0.688	6	109.6797	1.831	16	109.9422	0.452	73	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|H<1>,1|N<3>,5|C<4>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	109.7135	0.033	2	109.2660	7.658	4	109.6797	1.831	16	109.9422	0.452	73	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]2H)	108.8185	4.709	2	109.2660	7.658	4	109.6797	1.831	16	109.9422	0.452	73	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]S)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2{1|C<4>,1|N<3>,1|O<1>,1|S<4>,2|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]S)(H){1|S<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]2H)	109.8420	0.010	2	109.8210	0.001	4	109.6797	1.831	16	109.9422	0.452	73	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]S)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2{1|N<3>,1|S<4>,2|C<3>,3|C<4>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]S)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]2H)	109.8000	0.014	2	109.8210	0.001	4	109.6797	1.831	16	109.9422	0.452	73	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]2H)	110.0395	0.025	2	110.0395	0.001	2	109.6797	1.831	16	109.9422	0.452	73	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]N[6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]N[6]H)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]2H)	110.1040	0.025	2	110.1040	0.001	2	110.0455	0.071	36	109.9422	0.452	73	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]N[6]H)(H)2	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]N[6]H)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]2H)	110.4330	0.996	2	110.4330	0.991	2	110.0455	0.071	36	109.9422	0.452	73	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]S)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]H)(H)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]S)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]2H)	110.1805	0.005	2	110.2510	0.002	8	110.0455	0.071	36	109.9422	0.452	73	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]S)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]H)(H)2{1|S<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]S)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]2H)	110.2745	0.024	6	110.2510	0.002	8	110.0455	0.071	36	109.9422	0.452	73	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]H)(H)2{1|C<4>,1|S<4>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]2H)	110.2630	0.020	2	110.2630	0.000	2	110.0455	0.071	36	109.9422	0.452	73	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]N)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2{1|N<3>,1|O<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]N)(H){2|H<1>,5|C<3>}	H(C[6,6]C[6,6]2H)	109.8260	0.188	4	109.8988	0.015	11	110.0455	0.071	36	109.9422	0.452	73	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]N)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2{2|N<2>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]N)(H){2|H<1>,5|C<3>}	H(C[6,6]C[6,6]2H)	109.9404	0.050	7	109.8988	0.015	11	110.0455	0.071	36	109.9422	0.452	73	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]O)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2{1|N<3>,1|O<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]O)(H){2|H<1>,5|C<3>}	H(C[6,6]C[6,6]2H)	109.8445	0.215	4	109.9220	0.018	11	110.0455	0.071	36	109.9422	0.452	73	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]O)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2{2|O<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]O)(H){2|H<1>,5|C<3>}	H(C[6,6]C[6,6]2H)	109.9663	0.032	7	109.9220	0.018	11	110.0455	0.071	36	109.9422	0.452	73	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[5a,6]O[6]C)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6]C[5a,6]H)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[5a,6]O[6]C)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6]C[5a,6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	H(C[6,6]C[6,6]2H)	110.0460	0.063	7	110.0460	0.004	7	110.0460	0.004	7	109.9422	0.452	73	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	N[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]N[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]2H)	109.9217	0.060	6	109.9217	0.004	6	109.9217	0.004	6	109.9422	0.452	73	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	N[6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]N[6]2H)(H)2	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]N[6]2H)(H)2{1|C<4>,5|C<3>}	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(H){1|C<4>,1|H<1>,5|C<3>}	H(C[6,6]C[6,6]2H)	110.4765	0.005	2	110.4765	0.000	2	110.4765	0.000	2	109.9422	0.452	73	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:3:2:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:C[6a]-3:O[6]-2:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6a]O[6])(C[6,6]C[6,6a]C[5,6]H)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5a,6]C[6a]O[6])(C[6,6]C[6,6a]C[5,6]H)(H)2{1|N<3>,7|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a]){1|C<4>,4|H<1>,6|C<3>}	H(C[6,6]C[6,6]2H)	109.9110	0.052	4	109.9110	0.003	4	109.9110	0.003	4	110.0207	0.031	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:3:2:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]N[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]C[6]H)(OH)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]N[6]H)(H)2{2|H<1>,2|O<2>,3|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]C[6]H)(OH){1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2H)	110.2400	0.037	2	110.2400	0.001	2	110.2400	0.001	2	110.0207	0.031	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]HH)(CCHH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]HH)(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.7715	0.033	2	109.7715	0.001	2	109.7715	0.001	2	110.0963	0.388	139	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6,6a]C[6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6,6a]C[6]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6,6]C[5,6,6]C[6,6]H)	110.1505	0.028	2	110.1505	0.001	2	110.1505	0.001	2	110.0963	0.388	139	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]2H)	109.9980	0.000	1	109.9980	0.000	1	109.9980	0.000	1	110.0963	0.388	139	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(H)2{3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]2H)	109.6380	0.006	2	109.6380	0.000	2	109.6452	0.009	10	110.0963	0.388	139	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6]H)2(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5a,6]C[6]H)2(H)2{2|C<3>,2|N<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	H(C[6,6]C[6,6]2H)	109.6470	0.108	8	109.6470	0.012	8	109.6452	0.009	10	110.0963	0.388	139	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]N[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|N<3>,1|N<4>,6|H<1>}	C[6,6](C[6,6]N[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]2H)	110.6507	0.097	3	109.9654	1.601	5	110.0897	1.112	7	110.0963	0.388	139	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]N[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,2|N<3>,6|H<1>}	C[6,6](C[6,6]N[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2H)	108.9375	1.692	2	109.9654	1.601	5	110.0897	1.112	7	110.0963	0.388	139	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]O[6]HO)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]O)(H)2{2|C<3>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]O[6]HO)(H){1|O<1>,2|O<2>,3|C<4>}	H(C[6,6]C[6,6]2H)	110.4005	0.026	2	110.4005	0.001	2	110.0897	1.112	7	110.0963	0.388	139	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6]C)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,2|C<3>,3|O<2>,4|C<4>}	H(C[6,6]C[6,6]2H)	110.1495	0.210	4	110.1495	0.044	4	110.1495	0.044	4	110.0963	0.388	139	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|N<4>,5|H<1>}	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	110.3597	0.196	6	110.3311	0.031	8	110.1376	0.401	111	110.0963	0.388	139	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2H)	110.2455	0.059	2	110.3311	0.031	8	110.1376	0.401	111	110.0963	0.388	139	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]O[6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6]CH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]O[6]H)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6]CH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]2H)	110.4763	0.097	4	110.4763	0.009	4	110.1376	0.401	111	110.0963	0.388	139	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]H)(H)2{1|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(H){1|O<2>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]2H)	110.3480	0.027	2	110.3480	0.001	2	110.1376	0.401	111	110.0963	0.388	139	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2H)	110.3650	0.010	2	110.3357	1.132	34	110.1376	0.401	111	110.0963	0.388	139	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|N<3>,1|N<4>,6|H<1>}	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]2H)	110.3339	1.098	32	110.3357	1.132	34	110.1376	0.401	111	110.0963	0.388	139	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(H)2	C[6,6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]2H)	109.7945	0.035	2	109.7945	0.001	2	110.1376	0.401	111	110.0963	0.388	139	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	109.8035	0.016	2	109.7830	0.001	5	110.1376	0.401	111	110.0963	0.388	139	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2H)	109.8030	0.000	1	109.7830	0.001	5	110.1376	0.401	111	110.0963	0.388	139	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]2H)	109.7525	0.008	2	109.7830	0.001	5	110.1376	0.401	111	110.0963	0.388	139	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]2H)	110.2995	0.015	2	110.2995	0.000	2	110.1376	0.401	111	110.0963	0.388	139	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]O)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,3|O<2>}	H(C[6,6]C[6,6]2H)	109.9680	0.020	2	109.9997	0.004	6	110.1376	0.401	111	110.0963	0.388	139	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]O)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	H(C[6,6]C[6,6]2H)	110.0155	0.069	4	109.9997	0.004	6	110.1376	0.401	111	110.0963	0.388	139	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6a]O[6]2)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6a]O[6]2)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){2|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]2H)	110.0255	0.009	2	110.0255	0.000	2	110.1376	0.401	111	110.0963	0.388	139	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]C)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]C)(H)2{3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(C[6,6]C[6,6]2H)	110.1015	0.008	2	110.1015	0.000	2	110.1376	0.401	111	110.0963	0.388	139	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]C)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HS)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]C)(H)2{1|S<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HS)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(C[6,6]C[6,6]2H)	110.1050	0.041	2	110.1050	0.002	2	110.1376	0.401	111	110.0963	0.388	139	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]H)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H){1|N<2>,1|O<2>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]2H)	110.4400	0.037	2	110.4400	0.001	2	110.1376	0.401	111	110.0963	0.388	139	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]O[6]2H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]O[6]2H)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6]2H)	110.2255	0.018	2	110.2255	0.000	2	110.1376	0.401	111	110.0963	0.388	139	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]O[6]2H)(H)2	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]O[6]2H)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6,6]C[6,6]2H)	110.3397	0.054	3	110.3397	0.003	3	110.1376	0.401	111	110.0963	0.388	139	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]BrH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2{2|Br<1>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]BrH)(H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	H(C[6,6]C[6,6]2H)	109.9720	0.038	4	109.9720	0.001	4	110.1376	0.401	111	110.0963	0.388	139	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2{4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	H(C[6,6]C[6,6]2H)	109.9159	0.026	7	109.9159	0.001	7	110.1376	0.401	111	110.0963	0.388	139	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HN)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2{2|H<1>,2|N<3>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HN)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]2H)	110.2392	0.072	4	110.2392	0.005	4	110.1376	0.401	111	110.0963	0.388	139	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]BrH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2{2|Br<1>,2|C<3>,2|H<1>,2|N<2>}	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]BrH)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6,6]C[6,6]2H)	109.9175	0.089	11	109.9175	0.008	11	110.1376	0.401	111	110.0963	0.388	139	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2{2|C<3>,2|N<2>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6,6]C[6,6]2H)	109.6410	0.045	7	109.6410	0.002	7	110.1376	0.401	111	110.0963	0.388	139	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]O[6])(C[6,6]C[6,6a]C[6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]O[6])(C[6,6]C[6,6a]C[6]H)(H)2{2|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[6,6]C[6,6]2H)	109.9275	0.006	2	109.9275	0.000	2	110.1376	0.401	111	110.0963	0.388	139	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	N[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](N[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6a]C[6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[5,6,6]HH)(C[6]C[5,6,6]HH)(H)	H(C[6,6]N[5,6,6]C[6,6]H)	C[6,6](N[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6a]C[6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[5,6,6]HH)(C[6]C[5,6,6]HH)(H){1|C<3>,1|N<2>,3|C<4>,3|H<1>}	H(C[6,6]N[5,6,6]C[6,6]H)	110.2970	0.044	2	110.2970	0.002	2	110.2970	0.002	2	110.0963	0.388	139	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6,6]C[6]O[6]C)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(OH)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6,6]C[6]O[6]C)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(OH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]2H)	109.7385	0.013	2	109.7385	0.000	2	109.7385	0.000	2	109.9410	0.055	4	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	N[5,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]N[5,6]C[6]O)(C[6,6]C[6]2H)(H)2	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(OH)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]N[5,6]C[6]O)(C[6,6]C[6]2H)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(OH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]2H)	110.1435	0.021	2	110.1435	0.000	2	110.1435	0.000	2	109.9410	0.055	4	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5a]-3:C[3x6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C[5a]C)(H)2	C[6,6](C[5a]C[5a,6a]C[5a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C[5a]C)(H)2{1|H<1>,5|C<3>}	C[6,6](C[5a]C[5a,6a]C[5a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8743	0.084	3	109.8743	0.007	3	109.8743	0.007	3	109.5712	0.069	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6,6a]C[6]C)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6,6a]C[6]C)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6150	0.007	2	109.6150	0.000	2	109.6150	0.000	2	109.5712	0.069	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6]N[6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6]N[6]H)(H)2{1|S<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(C[6,6]C[6,6]2H)	109.2830	0.014	2	109.2830	0.000	2	109.3220	0.002	4	109.5712	0.069	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6]O[6]C)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6]O[6]C)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]2H)	109.3610	0.017	2	109.3610	0.000	2	109.3220	0.002	4	109.5712	0.069	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:2:2:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[6]-2:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]H)(H)2	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a])(O[6]C[6])(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]H)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a])(O[6]C[6])(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]2H)	110.4965	0.012	2	110.4965	0.000	2	110.4965	0.000	2	110.3399	0.010	8	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:2:2:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]O[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(O[6]C[6])(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]O[6]2H)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(O[6]C[6])(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]2H)	110.2877	0.038	6	110.2877	0.001	6	110.2877	0.001	6	110.3399	0.010	8	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:2:2:2:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:O[6]-2:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]2C)(C[6,6]O[6]2O)(H)2	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])2(OC)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]2C)(C[6,6]O[6]2O)(H)2{4|C<3>}	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])2(OC){1|C<4>,4|C<3>}	H(C[6,6]C[6,6]2H)	110.2195	0.121	2	110.2195	0.015	2	110.2195	0.015	2	110.2195	0.015	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:2:2:3:	4:	C[6,6]-4:N[6,6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:O[6]-2:N-3:	C[6,6]-4:	C[6,6](C[6,6]O[6]2N)(N[6,6]C[6]2C)(H)2	C[6,6](C[6,6]N[6,6]HH)(O[6]C[6])2(NHH)	H(C[6,6]C[6,6]N[6,6]H)	C[6,6](C[6,6]O[6]2N)(N[6,6]C[6]2C)(H)2{2|C<4>,4|H<1>}	C[6,6](C[6,6]N[6,6]HH)(O[6]C[6])2(NHH){3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[6,6]H)	110.0187	0.033	6	110.0187	0.001	6	110.0187	0.001	6	110.0187	0.001	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:2:2:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:N[6]-2:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[5,6]H)(C[6,6]N[6]O[6]C)(H)2	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[5,6])(CH3)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]N[5,6]H)(C[6,6]N[6]O[6]C)(H)2{1|C<4>,3|C<3>}	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[5,6])(CH3){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	H(C[6,6]C[6,6]2H)	110.3395	0.013	2	110.3395	0.000	2	110.3395	0.000	2	110.2520	0.010	4	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:2:2:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6]O[6]2C)(H)2	C[6,6](C[6,6]C[6,6]HH)(O[6]C[5a,6])(O[6]C[6,6a])(CCHH)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6]O[6]2C)(H)2{1|S<2>,3|C<3>}	C[6,6](C[6,6]C[6,6]HH)(O[6]C[5a,6])(O[6]C[6,6a])(CCHH){1|H<1>,4|C<3>}	H(C[6,6]C[6,6]2H)	110.1645	0.009	2	110.1645	0.000	2	110.1645	0.000	2	110.2520	0.010	4	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:2:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]H)(H)2	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[6]S)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]H)(H)2{1|C<4>,1|S<4>,3|C<3>}	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[6]S)(H){1|H<1>,4|C<3>}	H(C[6,6]C[6,6]2H)	110.2680	0.004	2	110.2680	0.000	2	110.2680	0.000	2	110.2680	0.000	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:2:3:2:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:C[6]-3:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6,6]C[6]O[6]O)(H)2	C[6,6](C[6,6]C[3x6]HH)(O[6]C[6,6a])(C[6]C[6]H)(OC)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6,6]C[6]O[6]O)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[3x6]HH)(O[6]C[6,6a])(C[6]C[6]H)(OC){1|C<4>,1|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	110.0735	0.028	2	110.0735	0.001	2	110.0735	0.001	2	110.0735	0.001	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:2:3:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]C)(H)2	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[6]H)(CH3)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]C)(H)2{1|S<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6,6]C[6,6]2H)	110.1140	0.051	2	110.1183	0.001	4	110.1183	0.001	4	110.1183	0.001	4	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:2:3:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]C)(H)2	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[6]H)(CH3)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]C)(H)2{3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6,6]C[6,6]2H)	110.1225	0.039	2	110.1183	0.001	4	110.1183	0.001	4	110.1183	0.001	4	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:2:4:2:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]O)(H)2	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(OH)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(OH){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]2H)	109.9905	0.058	6	109.9905	0.003	6	109.9905	0.003	6	109.9905	0.003	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:2:4:3:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6,6]C[6]O[6]C)(H)2	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(COO)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6,6]C[6]O[6]C)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(COO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]2H)	109.8160	0.051	2	109.8160	0.003	2	109.8160	0.003	2	109.8160	0.003	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:2:4:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[6]O[6]C)(H)2	C[6,6](C[6,6]C[3x6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[6]O[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8360	0.546	6	109.8360	0.298	6	109.8360	0.298	6	109.8191	0.136	12	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:2:4:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(H)2	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(CCCH)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(CCCH){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]2H)	109.7830	0.004	2	109.7830	0.000	2	109.8022	0.000	6	109.8191	0.136	12	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:2:4:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(H)2	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]2H)	109.8120	0.000	1	109.8118	0.000	4	109.8022	0.000	6	109.8191	0.136	12	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:2:4:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(H)2	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]2H)	109.8117	0.005	3	109.8118	0.000	4	109.8022	0.000	6	109.8191	0.136	12	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9952	0.079	8	109.9917	0.167	208	109.9917	0.167	208	110.0848	0.748	895	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9708	0.070	75	109.9917	0.167	208	109.9917	0.167	208	110.0848	0.748	895	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0623	0.095	21	109.9917	0.167	208	109.9917	0.167	208	110.0848	0.748	895	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8295	0.046	2	109.9917	0.167	208	109.9917	0.167	208	110.0848	0.748	895	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.1539	0.754	44	109.9917	0.167	208	109.9917	0.167	208	110.0848	0.748	895	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|N<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0052	0.070	6	109.9917	0.167	208	109.9917	0.167	208	110.0848	0.748	895	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0609	0.040	7	109.9917	0.167	208	109.9917	0.167	208	110.0848	0.748	895	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{2|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7716	0.415	37	109.9917	0.167	208	109.9917	0.167	208	110.0848	0.748	895	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{3|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0938	0.124	8	109.9917	0.167	208	109.9917	0.167	208	110.0848	0.748	895	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:1:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,5,6]C[4,6]H)(C[6,6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,5,6]C[4,6]H)(C[6,6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)2{2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.2439	0.188	8	109.2439	0.035	8	109.2400	0.027	12	110.0848	0.748	895	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:1:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)2{2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.1190	0.017	2	109.1190	0.000	2	109.2400	0.027	12	110.0848	0.748	895	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:1:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2O)(C[6,6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2O)(C[6,6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.3455	0.006	2	109.3455	0.000	2	109.2400	0.027	12	110.0848	0.748	895	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]N[3x6]HH)(H)2	C[6,6](C[6,6]C[5,3x6]HH)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]N[3x6]HH)(H)2{1|C<4>,1|N<3>,4|C<3>}	C[6,6](C[6,6]C[5,3x6]HH)(N[3x6]C[6,6]2)(H)2{2|H<1>,4|C<3>}	H(C[6,6]C[5,3x6]C[6,6]H)	110.2280	0.000	1	110.1725	0.006	2	110.1725	0.006	2	110.0848	0.748	895	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]N[3x6]HH)(H)2	C[6,6](C[6,6]C[5,3x6]HH)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]N[3x6]HH)(H)2{1|N<2>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[5,3x6]HH)(N[3x6]C[6,6]2)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[5,3x6]C[6,6]H)	110.1170	0.000	1	110.1725	0.006	2	110.1725	0.006	2	110.0848	0.748	895	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.9350	0.210	269	109.9350	0.044	269	110.1915	0.791	637	110.0848	0.748	895	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,3|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	110.0567	2.522	4	110.3841	1.274	362	110.1915	0.791	637	110.0848	0.748	895	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	110.3878	1.111	358	110.3841	1.274	362	110.1915	0.791	637	110.0848	0.748	895	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2{2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|O<4>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	110.0672	0.053	6	110.0672	0.003	6	110.1915	0.791	637	110.0848	0.748	895	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:1:1:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Ga)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[6,6]N[3x6]HH)(C[3x6]C[6,6]2)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Ga)(C[6,6]C[3x6]HH)(H)2{2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(C[3x6]C[6,6]2)(H)2{1|Ga<5>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	108.1700	2.172	6	108.1700	4.719	6	108.1700	4.719	6	110.0848	0.748	895	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:1:1:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Cu)(C[6,6]N[3x6]HH)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Cu)(C[6,6]N[3x6]HH)(H)2{2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|Cu<5>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.5996	0.105	15	109.5996	0.011	15	109.5656	0.011	24	110.0848	0.748	895	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:1:1:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Li)(C[6,6]N[3x6]HH)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Li)(C[6,6]N[3x6]HH)(H)2{2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|Li<4>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.5089	0.088	9	109.5089	0.008	9	109.5656	0.011	24	110.0848	0.748	895	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:1:1:	4:	Si[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:P[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](Si[3x6]C[6,6]2C[6a])(C[6,6]P[3x6]HH)(H)2	C[6,6](C[6,6]Si[3x6]HH)(P[3x6]C[6,6]2)(H)2	H(C[6,6]Si[3x6]C[6,6]H)	C[6,6](Si[3x6]C[6,6]2C[6a])(C[6,6]P[3x6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]Si[3x6]HH)(P[3x6]C[6,6]2)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]Si[3x6]C[6,6]H)	107.6392	2.246	6	107.6392	5.042	6	107.6392	5.042	6	110.0848	0.748	895	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:2:1:	4:	C[6,6]-4:C[6,6]-4:F-1:H-1:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6]O[6]H)(F)(H)	C[6,6](C[6,6]C[6,6]FH)(N[6]C[6]C)(O[6]C[6])(H)	H(C[6,6]C[6,6]2F)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6]O[6]H)(F)(H){1|F<1>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[6,6]FH)(N[6]C[6]C)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6,6]C[6,6]2F)	109.8530	0.000	1	109.8530	0.000	1	109.8530	0.000	1	109.0885	1.169	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:2:1:	4:	C[6,6]-4:C[6,6]-4:H-1:I-1:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6]O[6]H)(C[6,6]C[6]2H)(H)(I)	C[6,6](C[6,6]C[6,6]HI)(N[6]C[6]C)(O[6]C[6])(H)	H(C[6,6]C[6,6]2I)	C[6,6](C[6,6]N[6]O[6]H)(C[6,6]C[6]2H)(H)(I){2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]HI)(N[6]C[6]C)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6,6]C[6,6]2I)	108.3240	0.000	1	108.3240	0.000	1	108.3240	0.000	1	109.0885	1.169	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:2:2:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:O[6]-2:O-2:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[6]O[6]O)(H)2	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6,6]O)(O[6]C[6])(OH)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[6]O[6]O)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6,6]O)(O[6]C[6])(OH){1|O<1>,5|C<4>}	H(C[6,6]C[5,6,6]C[6,6]H)	109.9630	0.004	2	109.9630	0.000	2	109.9630	0.000	2	110.1143	0.017	20	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:2:2:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6a]O[6]2)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6a]O[6]2)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6]){1|C<4>,4|C<3>,5|H<1>}	H(C[6,6]C[6,6]2H)	110.0445	0.016	2	110.0445	0.000	2	110.1312	0.016	18	110.1143	0.017	20	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:2:2:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	C[6,6]-4:	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6])2	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6]2H)(H)2{6|C<3>}	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6])2{2|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]2H)	110.2110	0.004	2	110.2110	0.000	2	110.1312	0.016	18	110.1143	0.017	20	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:2:2:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	C[6,6]-4:	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6a]2C)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])2	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6a]2C)(H)2{6|C<3>}	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])2{1|C<4>,2|H<1>,6|C<3>}	H(C[6,6]C[6,6]2H)	109.7030	0.000	1	109.7030	0.000	1	110.1312	0.016	18	110.1143	0.017	20	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:2:2:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	C[6,6]-4:	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6a]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])2	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6a]2H)(H)2{6|C<3>}	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])2{3|H<1>,6|C<3>}	H(C[6,6]C[6,6]2H)	110.1652	0.066	13	110.1652	0.004	13	110.1312	0.016	18	110.1143	0.017	20	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:2:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]C)(O[6]C[6])(CH3)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]C)(O[6]C[6])(CH3){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6,6]C[6,6]2H)	109.7055	0.722	2	109.7055	0.521	2	109.7055	0.521	2	109.7055	0.521	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6,6a]O)(C[6]C[6]O)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6,6]C[6]2H)(H)2{2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6,6a]O)(C[6]C[6]O)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6105	0.026	2	109.6105	0.001	2	109.6105	0.001	2	110.2705	0.183	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-3:C-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]O)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]O)(H){2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0040	0.042	2	110.0040	0.002	2	110.0040	0.002	2	110.2705	0.183	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]C)(H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{3|C<4>,4|C<3>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]C)(H){1|C<4>,2|N<3>,3|H<1>}	H(C[6,6]C[5,6,6]C[6,6]H)	110.0585	0.129	4	110.0585	0.017	4	110.2690	0.059	8	110.2705	0.183	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]C)(C[6]C[6]O)(H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|O<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]C)(C[6]C[6]O)(H){1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6,6]H)	110.4795	0.064	4	110.4795	0.004	4	110.2690	0.059	8	110.2705	0.183	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[5,6]-3:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]N[5,6]C[6]H)(H)2	C[6,6](C[6,6]C[5,6,6]HH)(N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]N[5,6]C[6]H)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[5,6,6]HH)(N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6,6]H)	110.5395	0.023	2	110.5395	0.001	2	110.5395	0.001	2	110.2705	0.183	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:3:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]O)(N[6]C[6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[6]N[6]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]O)(N[6]C[6]C)(H){2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9555	0.068	4	109.9555	0.005	4	109.9555	0.005	4	110.2705	0.183	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]O)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2{1|C<4>,1|N<3>,1|O<1>,1|S<4>,2|C<3>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]O)(C[6]C[6]C)(H){1|N<3>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]2H)	109.8740	0.027	2	109.8740	0.001	2	110.3026	0.250	14	110.2705	0.183	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]C)(C[6]N[6]C)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]C)(C[6]N[6]C)(H){2|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	110.1445	0.066	2	110.1445	0.004	2	110.3026	0.250	14	110.2705	0.183	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]H)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{2|C<3>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]H)(C[6]C[6]O)(H){2|C<3>,3|H<1>}	H(C[6,6]C[6,6]2H)	110.2490	0.024	3	110.2490	0.001	3	110.3026	0.250	14	110.2705	0.183	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]O)2(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{2|N<3>,4|O<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]O)2(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]2H)	110.4823	0.017	3	110.4933	0.427	7	110.3026	0.250	14	110.2705	0.183	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]O)2(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{2|N<3>,4|O<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]O)2(H){2|C<3>,3|H<1>}	H(C[6,6]C[6,6]2H)	110.5015	0.924	4	110.4933	0.427	7	110.3026	0.250	14	110.2705	0.183	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[6]-3:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6]C)2(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]N[6]2H)2(H)2{2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6]C)2(H){1|H<1>,2|N<3>,2|O<1>}	H(C[6,6]C[6,6]2H)	110.8047	0.025	4	110.8047	0.001	4	110.8047	0.001	4	110.2705	0.183	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:3:2:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:O[6]-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6a]N[6]O[6])(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6,6]H)(O[6]C[6,6a])	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6a]N[6]O[6])(H)2{1|H<1>,6|C<3>}	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6,6]H)(O[6]C[6,6a]){1|C<4>,3|H<1>,5|C<3>}	H(C[6,6]C[6,6]2H)	110.1620	0.044	4	110.1620	0.002	4	110.1620	0.002	4	110.1743	0.007	8	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:3:2:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[6]-3:C[6a]-3:O[6]-2:	C[6,6]-4:	C[6,6](C[6,6]C[6a]N[6]O[6])(C[6,6]C[6,6a]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a])	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6a]N[6]O[6])(C[6,6]C[6,6a]2H)(H)2{1|C<4>,6|C<3>}	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a]){3|H<1>,6|C<3>}	H(C[6,6]C[6,6]2H)	110.1865	0.121	4	110.1865	0.015	4	110.1865	0.015	4	110.1743	0.007	8	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:3:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[6]-3:N[6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[6]2C)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[6]C[6]H)2(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[6]2C)(H)2{2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[3x6]HH)(N[6]C[6]H)2(CH3){1|H<1>,2|C<4>,2|O<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0005	0.008	2	110.0005	0.000	2	110.0005	0.000	2	110.0002	0.056	17	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:3:4:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,6]C[5,6,6]C[6])(C[6,6]C[6]2C)(H)2	C[6,6](C[6,6]C[5,3x6]HH)(C[6]C[5,6]H)(C[6]C[5,6]O)(CH3)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,5,6]C[5,6,6]C[6])(C[6,6]C[6]2C)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,3x6]HH)(C[6]C[5,6]H)(C[6]C[5,6]O)(CH3){1|C<3>,1|H<1>,4|C<4>}	H(C[6,6]C[5,3x6]C[6,6]H)	109.6008	0.027	4	109.6008	0.001	4	109.6008	0.001	4	110.0002	0.056	17	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:3:4:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[6]-3:N[6]-3:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]N[6]2C)(H)2	C[6,6](C[6,6]C[5,6,6]HH)(N[6]C[6]H)2(CH3)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]N[6]2C)(H)2{2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[5,6,6]HH)(N[6]C[6]H)2(CH3){1|H<1>,2|C<4>,2|O<1>}	H(C[6,6]C[5,6,6]C[6,6]H)	110.1455	0.042	11	110.1455	0.002	11	110.1455	0.002	11	110.0002	0.056	17	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[3x6]-4:C[6,6]-4:Cl-1:H-1:	C[6,6]-4:N[4x6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]CH)(Cl)(H)	C[6,6](C[6,6]C[3x6]ClH)(N[4x6]C[3x6]2)(CH3)(H)	H(C[6,6]C[3x6]C[6,6]Cl)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]CH)(Cl)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]ClH)(N[4x6]C[3x6]2)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]Cl)	108.5630	0.000	1	108.5630	0.000	1	108.5630	0.000	1	110.0300	0.692	128	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]CH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]CH)(H){2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9373	0.057	4	109.9373	0.003	4	110.0224	0.228	53	110.0300	0.692	128	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HN)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HN)(H){2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0237	0.103	14	110.0237	0.011	14	110.0224	0.228	53	110.0300	0.692	128	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H){2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0735	0.660	27	110.0426	0.363	33	110.0224	0.228	53	110.0300	0.692	128	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{3|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H){2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9035	0.162	6	110.0426	0.363	33	110.0224	0.228	53	110.0300	0.692	128	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]N[5]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{3|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]N[5]H)(H){2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8505	0.026	2	109.8505	0.001	2	110.0224	0.228	53	110.0300	0.692	128	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CH)(H)2	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(CCCO)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(CCCO)(H){2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	108.7390	0.042	2	108.7390	0.002	2	108.6870	0.421	6	110.0300	0.692	128	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CH)(H)2	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(CCHO)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(CCHO)(H){2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	108.4740	1.399	2	108.4740	1.956	2	108.6870	0.421	6	110.0300	0.692	128	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CH)(H)2	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(CC[6a]HO)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(CC[6a]HO)(H){2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	108.8480	0.028	2	108.8480	0.001	2	108.6870	0.421	6	110.0300	0.692	128	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]O[6])(C[6]C[6]CH)(H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]O[6])(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[6,6]H)	110.3800	0.010	2	110.3800	0.000	2	110.3800	0.000	2	110.0300	0.692	128	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]CH)(H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]CH)(H){1|C<4>,2|N<3>,3|H<1>}	H(C[6,6]C[5,6,6]C[6,6]H)	109.8655	0.067	4	109.8850	0.004	6	110.4477	1.998	26	110.0300	0.692	128	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]CH)(H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,3|C<4>,4|C<3>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]CH)(H){1|C<4>,2|N<3>,3|H<1>}	H(C[6,6]C[5,6,6]C[6,6]H)	109.9240	0.004	2	109.8850	0.004	6	110.4477	1.998	26	110.0300	0.692	128	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<4>,2|N<3>,4|H<1>}	H(C[6,6]C[5,6,6]C[6,6]H)	109.3900	0.703	2	109.8000	0.485	4	110.4477	1.998	26	110.0300	0.692	128	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(C[6,6]C[5,6,6]C[6,6]H)	110.2100	0.537	2	109.8000	0.485	4	110.4477	1.998	26	110.0300	0.692	128	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H){1|N<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[6,6]H)	110.6993	0.073	8	110.8206	2.845	16	110.4477	1.998	26	110.0300	0.692	128	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,1|O<1>,6|C<4>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[6,6]H)	111.0907	2.894	6	110.8206	2.845	16	110.4477	1.998	26	110.0300	0.692	128	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,1|O<1>,6|C<4>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H){1|N<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[6,6]H)	110.4955	0.011	2	110.8206	2.845	16	110.4477	1.998	26	110.0300	0.692	128	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[5,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]N[5,6]C[6]H)(H)2	C[6,6](C[6,6]C[5,6,6]HH)(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]N[5,6]C[6]H)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[5,6,6]C[6,6]H)	110.2520	0.008	2	110.2520	0.000	2	110.2520	0.000	2	110.0300	0.692	128	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[5a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|N<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){1|O<1>,3|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	110.2745	0.052	2	109.8213	0.050	16	109.8213	0.050	16	110.0300	0.692	128	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[5a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){1|C<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.7728	0.127	4	109.8213	0.050	16	109.8213	0.050	16	110.0300	0.692	128	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[5a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){2|C<3>,2|H<1>,6|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.7182	0.260	4	109.8213	0.050	16	109.8213	0.050	16	110.0300	0.692	128	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[5a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){2|C<3>,3|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.7940	0.037	2	109.8213	0.050	16	109.8213	0.050	16	110.0300	0.692	128	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[5a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){3|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6900	0.010	2	109.8213	0.050	16	109.8213	0.050	16	110.0300	0.692	128	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[5a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){3|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.8300	0.021	2	109.8213	0.050	16	109.8213	0.050	16	110.0300	0.692	128	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6a]O[6])(C[6,6]C[6,6a]C[5,6]H)(H)2	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5a,6]C[6a]O[6])(C[6,6]C[6,6a]C[5,6]H)(H)2{1|N<3>,7|C<3>}	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,7|C<3>}	H(C[6,6]C[6,6]2H)	109.8813	0.107	3	109.8813	0.011	3	109.8813	0.011	3	110.0300	0.692	128	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]2)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]2)(C[6]C[6]HO)(H){2|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]2H)	109.5740	0.000	1	109.5740	0.000	1	109.5740	0.000	1	110.0300	0.692	128	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]O)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6])(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]N[6]O)(C[6,6]C[6]2H)(H)2{1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]2H)	110.1020	0.048	2	110.1020	0.002	2	110.1097	0.002	4	110.0300	0.692	128	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[5,6]C[6]O)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]N)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]N[5,6]C[6]O)(C[6,6]C[6]2H)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]N)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,2|N<3>}	H(C[6,6]C[6,6]2H)	110.1175	0.059	2	110.1175	0.003	2	110.1097	0.002	4	110.0300	0.692	128	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]N[6]H)(H)2	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6]H)(C[6]C[6]OO)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]N[6]H)(H)2{2|H<1>,2|O<2>,3|C<3>}	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6]H)(C[6]C[6]OO)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6,6]C[6,6]2H)	110.2440	0.037	2	110.2440	0.001	2	110.1621	0.312	14	110.0300	0.692	128	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]N[6]H)(H)2	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]N[6]H)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(C[6]C[6]HH)(H){3|C<3>,3|H<1>}	H(C[6,6]C[6,6]2H)	109.6903	0.953	4	109.6903	0.908	4	110.1621	0.312	14	110.0300	0.692	128	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]N[6]H)(H)2	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]N[6]H)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]2H)	110.5095	0.021	2	110.3775	0.009	8	110.1621	0.312	14	110.0300	0.692	128	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]N[6]H)(H)2	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]N[6]H)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]2H)	110.3335	0.051	6	110.3775	0.009	8	110.1621	0.312	14	110.0300	0.692	128	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:4:2:	4:	C[6,6]-4:C[6,6]-4:Br-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:O[6]-2:	C[6,6]-4:	C[6,6](C[6,6]C[6a]C[6]O[6])(C[6,6]C[6]2C)(Br)(H)	C[6,6](C[6,6]C[6,6]BrH)(C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])	H(C[6,6]C[6,6]2Br)	C[6,6](C[6,6]C[6a]C[6]O[6])(C[6,6]C[6]2C)(Br)(H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]BrH)(C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6]){1|S<4>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2Br)	108.3670	0.000	1	108.3670	0.000	1	108.3670	0.000	1	108.3670	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:4:3:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]C[5a]C)(H)2	C[6,6](C[3x6]C[3x6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]C[5a]C)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6,6](C[3x6]C[3x6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO){2|H<1>,3|C<4>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.5075	0.022	2	109.5075	0.000	2	109.5075	0.000	2	109.7873	0.027	16	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:4:3:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|N<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO){2|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	110.0530	0.027	2	109.8272	0.018	14	109.8272	0.018	14	109.7873	0.027	16	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:4:3:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO){2|C<3>,3|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.7802	0.016	4	109.8272	0.018	14	109.8272	0.018	14	109.7873	0.027	16	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:4:3:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO){2|C<3>,3|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.9440	0.013	2	109.8272	0.018	14	109.8272	0.018	14	109.7873	0.027	16	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:4:3:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2{1|N<3>,1|N<4>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO){3|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.8035	0.025	4	109.8272	0.018	14	109.8272	0.018	14	109.7873	0.027	16	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:4:3:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO){2|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.6260	0.057	2	109.8272	0.018	14	109.8272	0.018	14	109.7873	0.027	16	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(CHHO)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(CHHO){2|C<3>,3|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.7895	0.037	2	109.7290	0.006	4	109.7290	0.006	4	109.9052	0.044	14	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(CHHO)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|N<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(CHHO){2|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.6685	0.022	2	109.7290	0.006	4	109.7290	0.006	4	109.9052	0.044	14	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6]O)(C[6]C[6]CH)(CH3)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6]O)(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]2H)	109.6255	0.013	2	109.6255	0.000	2	109.6255	0.000	2	109.9052	0.044	14	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6a]C[6]2)(C[6,6]C[6]N[6]H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6a]C[6]2)(C[6,6]C[6]N[6]H)(H)2{1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6]2H)	109.9260	0.030	2	109.9260	0.001	2	109.9260	0.001	2	109.9052	0.044	14	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]N[6]C)(H)2	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]N[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]2H)	110.0845	0.058	4	110.0845	0.003	4	110.1090	0.004	6	109.9052	0.044	14	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]N[6]C)(H)2	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]N[6]C)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HO)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]2H)	110.1580	0.049	2	110.1580	0.002	2	110.1090	0.004	6	109.9052	0.044	14	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	B[3x6]-4:C[6,6]-4:H-1:H-1:	B[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[3x6]C[6,6,6a]2C[5])(C[6,6]B[3x6]HH)(H)2	C[6,6](B[3x6]C[6,6,6a]2C[5])(C[6,6]B[3x6]HH)(H)2	H(C[6,6]B[3x6]C[6,6]H)	C[6,6](B[3x6]C[6,6,6a]2C[5])(C[6,6]B[3x6]HH)(H)2{2|N<3>,5|C<3>}	C[6,6](B[3x6]C[6,6,6a]2C[5])(C[6,6]B[3x6]HH)(H)2{2|N<3>,5|C<3>}	H(C[6,6]B[3x6]C[6,6]H)	109.5317	0.037	3	109.5317	0.001	3	109.5317	0.001	3	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6,6]C[5,6,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,3x6]HH)(H)2	H(C[6,6]C[3,3x6]C[6,6]H)	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6,6]C[5,6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,3x6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[3,3x6]C[6,6]H)	108.8170	0.000	1	108.8170	0.000	1	108.8170	0.000	1	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5,5x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x5,5x6]C[3x5,3x6]C[3x5,4x6]C[5,5,6,6])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2C[6a])(C[6,6]C[3x5,5x6]HH)(H)2	H(C[6,6]C[3x5,5x6]C[6,6]H)	C[6,6](C[3x5,5x6]C[3x5,3x6]C[3x5,4x6]C[5,5,6,6])(C[6,6]C[3x6]HH)(H)2{1|H<1>,3|C<3>,6|C<4>}	C[6,6](C[3x6]C[6,6]2C[6a])(C[6,6]C[3x5,5x6]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x5,5x6]C[6,6]H)	110.2260	0.058	2	110.2260	0.003	2	110.2260	0.003	2	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:Br-1:H-1:	C[3x6]-4:C[6,6]-4:Br-1:Br-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]Br2)(Br)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(Br)2	H(C[6,6]C[3x6]C[6,6]Br)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]Br2)(Br)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(Br)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]Br)	108.2480	0.000	1	107.3285	1.691	2	107.3285	1.691	2	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:Br-1:H-1:	C[3x6]-4:C[6,6]-4:Br-1:Br-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]Br2)(Br)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(Br)2	H(C[6,6]C[3x6]C[6,6]Br)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]Br2)(Br)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(Br)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]Br)	106.4090	0.000	1	107.3285	1.691	2	107.3285	1.691	2	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:Br-1:H-1:	C[3x6]-4:C[6,6]-4:Br-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]BrH)(Br)(H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]BrH)(Br)(H)	H(C[6,6]C[3x6]C[6,6]Br)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]BrH)(Br)(H){3|C<4>,4|H<1>}	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]BrH)(Br)(H){3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]Br)	106.8295	0.518	2	106.8295	0.269	2	107.0947	0.146	6	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:Br-1:H-1:	C[3x6]-4:C[6,6]-4:Br-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]BrH)(Br)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]BrH)(Br)(H)	H(C[6,6]C[3x6]C[6,6]Br)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]BrH)(Br)(H){3|C<4>,4|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]BrH)(Br)(H){3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]Br)	106.9950	0.181	2	106.9950	0.033	2	107.0947	0.146	6	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:Br-1:H-1:	C[3x6]-4:C[6,6]-4:Br-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(Br)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(Br)(H)	H(C[6,6]C[3x6]C[6,6]Br)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(Br)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(Br)(H){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[6,6]C[3x6]C[6,6]Br)	107.4280	0.000	1	107.4595	0.002	2	107.0947	0.146	6	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:Br-1:H-1:	C[3x6]-4:C[6,6]-4:Br-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(Br)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(Br)(H)	H(C[6,6]C[3x6]C[6,6]Br)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(Br)(H){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(Br)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]Br)	107.4910	0.000	1	107.4595	0.002	2	107.0947	0.146	6	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:Br-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]Br)(C[6,6]C[3x6]HH)(Br)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]BrH)(H)2	H(C[6,6]C[3x6]C[6,6]Br)	C[6,6](C[3x6]C[5,6,6]C[6,6]Br)(C[6,6]C[3x6]HH)(Br)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]BrH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]Br)	108.8315	0.090	2	108.8947	0.016	3	108.1615	2.161	4	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:Br-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]Br)(C[6,6]C[3x6]HH)(Br)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]BrH)(H)2	H(C[6,6]C[3x6]C[6,6]Br)	C[6,6](C[3x6]C[5,6,6]C[6,6]Br)(C[6,6]C[3x6]HH)(Br)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]BrH)(H)2{1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]Br)	109.0210	0.000	1	108.8947	0.016	3	108.1615	2.161	4	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:Br-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(Br)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(H)2	H(C[6,6]C[3x6]C[6,6]Br)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(Br)(H){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]Br)	105.9620	0.000	1	105.9620	0.000	1	108.1615	2.161	4	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:Cl-1:H-1:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(Cl)(H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]ClH)(H)2	H(C[6,6]C[3x6]C[6,6]Cl)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(Cl)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]ClH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]Cl)	107.4855	0.120	2	107.4855	0.014	2	107.4855	0.014	2	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x5,5x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6a])(C[6,6]C[3x5,5x6]HH)(H)2	C[6,6](C[3x5,5x6]C[3x5,3x6]C[3x5,4x6]C[5,5,6,6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C[6a])(C[6,6]C[3x5,5x6]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x5,5x6]C[3x5,3x6]C[3x5,4x6]C[5,5,6,6])(C[6,6]C[3x6]HH)(H)2{1|H<1>,3|C<3>,6|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.2095	0.070	2	109.2095	0.005	2	109.2095	0.005	2	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:Br-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]BrH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]Br)(C[6,6]C[3x6]HH)(Br)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]BrH)(H)2{1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]Br)(C[6,6]C[3x6]HH)(Br)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8470	0.023	2	109.8565	0.002	6	109.9460	0.029	8	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:Br-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]BrH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]Br)(C[6,6]C[3x6]HH)(Br)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]BrH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]Br)(C[6,6]C[3x6]HH)(Br)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8612	0.059	4	109.8565	0.002	6	109.9460	0.029	8	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:Br-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(H)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(Br)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(Br)(H){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	110.2145	0.026	2	110.2145	0.001	2	109.9460	0.029	8	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]As[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]P[4x6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]As[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]P[4x6]H)(C[6,6]C[3x6]HH)(H)2{1|As<3>,1|C<3>,1|C<4>,1|W<6>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.1325	0.013	2	109.1325	0.000	2	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[4x6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[3,6,6]C[4x6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3,6,6]C[4x6]H)(C[6,6]C[3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3,6,6]C[4x6]H)(C[6,6]C[3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7185	0.098	4	109.7185	0.010	4	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8093	0.049	6	109.8093	0.002	6	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[3x6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[3x6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8063	0.045	3	109.8063	0.002	3	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[3x6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.8135	0.040	4	109.8135	0.002	4	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5355	0.024	4	109.9052	0.315	76	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5348	0.045	4	109.9052	0.315	76	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7500	0.056	3	109.9052	0.315	76	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6815	0.124	6	109.9052	0.315	76	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8710	0.070	4	109.9052	0.315	76	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6913	0.065	6	109.9052	0.315	76	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7780	0.112	33	109.9052	0.315	76	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9735	0.054	2	109.9052	0.315	76	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|Cr<9>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|Cr<9>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.7935	1.012	12	109.9052	0.315	76	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6985	0.094	2	109.9052	0.315	76	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7560	0.024	2	109.7560	0.001	2	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.0627	2.906	4	109.0627	8.447	4	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[4,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[4,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6120	0.105	2	109.6120	0.011	2	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.4235	0.755	4	110.4235	0.570	4	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|Br<1>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|Br<1>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.1620	0.217	4	109.4689	0.128	8	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7985	0.045	2	109.4689	0.128	8	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.7530	0.033	2	109.4689	0.128	8	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[4,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|N<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[4,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.8888	1.770	4	110.8888	3.134	4	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]Cl)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[4x6]C[6,6]Cl)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4x6]C[6,6]Cl)(C[6,6]C[3x6]HH)(H)2{2|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[6,6](C[3x6]C[4x6]C[6,6]Cl)(C[6,6]C[3x6]HH)(H)2{2|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.8602	0.086	11	109.8602	0.007	11	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|Br<1>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|Br<1>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7630	0.157	4	109.7809	0.008	15	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7874	0.064	11	109.7809	0.008	15	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[5x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,2|S<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5889	0.245	7	109.5889	0.060	7	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0823	0.913	4	110.0823	0.834	4	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7965	0.037	2	109.7965	0.001	2	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7300	0.006	2	109.7300	0.000	2	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.3891	0.165	7	109.3891	0.027	7	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.3355	0.006	2	109.3355	0.000	2	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4505	0.030	4	109.6178	0.028	101	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8092	0.078	4	109.6178	0.028	101	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8375	0.038	4	109.6178	0.028	101	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9213	0.075	4	109.6178	0.028	101	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6619	0.048	14	109.6178	0.028	101	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7220	0.000	1	109.6178	0.028	101	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6450	0.038	4	109.6178	0.028	101	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7520	0.011	3	109.6178	0.028	101	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6387	0.091	29	109.6178	0.028	101	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5833	0.021	4	109.6178	0.028	101	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|Li<7>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|Li<7>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6585	0.081	13	109.6178	0.028	101	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4720	0.018	2	109.6178	0.028	101	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|H<1>,3|C<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.3430	0.144	15	109.6178	0.028	101	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6620	0.061	2	109.6750	0.002	4	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6880	0.023	2	109.6750	0.002	4	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.6770	1.428	2	110.3145	0.855	4	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9520	0.006	2	110.3145	0.855	4	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,2|C<2>,2|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.7640	0.020	2	109.8029	0.004	7	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8920	0.042	2	109.8029	0.004	7	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7693	0.035	3	109.8029	0.004	7	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]N[5,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	C[6,6](C[3x6]N[5,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.3745	0.410	4	109.3745	0.168	4	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[6,6]C[3x6]C[6,6]H)	109.8405	0.025	2	109.7968	0.003	4	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7530	0.013	2	109.7968	0.003	4	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|S<2>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	108.8063	0.350	3	108.8063	0.122	3	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	111.2730	0.262	2	110.5740	0.675	4	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8750	0.031	2	110.5740	0.675	4	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5a,6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[5a,6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5a,6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6](C[3x6]C[5a,6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.4503	0.132	3	109.4503	0.017	3	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5660	0.067	4	109.4426	0.054	57	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6570	0.080	4	109.4426	0.054	57	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5561	0.155	13	109.4426	0.054	57	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.7190	0.059	7	109.4426	0.054	57	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|H<1>,3|C<3>}	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.2783	0.184	29	109.4426	0.054	57	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,2|S<2>,3|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5670	0.172	7	109.5670	0.030	7	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]HH)(H)2{1|C<4>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]HH)(H)2{1|C<4>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.4896	0.499	15	109.4896	0.249	15	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.9639	0.450	14	109.9639	0.202	14	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{1|Ru<10>,1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{1|Ru<10>,1|H<1>,2|C<3>,2|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	108.5994	0.075	7	108.5994	0.006	7	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.4936	0.162	8	109.4936	0.026	8	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6]C[3x6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.6970	0.040	2	109.6970	0.002	2	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6,6a]O[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]O[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.5108	0.114	4	109.5108	0.013	4	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6825	0.042	4	109.8726	0.214	139	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6795	0.030	4	109.8726	0.214	139	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9079	0.480	123	109.8726	0.214	139	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.5222	0.108	8	109.8726	0.214	139	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]O)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]O)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7415	0.023	4	109.6633	0.015	6	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]O)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]O)(C[6,6]C[3x6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.5070	0.025	2	109.6633	0.015	6	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.8200	0.000	1	109.8200	0.000	1	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]O)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]O)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7115	0.036	4	109.6618	0.013	5	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]O)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]O)(C[6,6]C[3x6]HH)(H)2{2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.4630	0.000	1	109.6618	0.013	5	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9150	0.013	2	109.9150	0.000	2	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6]C[3x6]HH)(H)2{1|C<4>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.7330	0.047	2	109.7330	0.002	2	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]O[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]O[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.7213	0.119	3	109.7213	0.014	3	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	110.0040	0.136	10	110.0040	0.019	10	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6286	0.169	77	109.6236	0.031	150	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6424	0.203	47	109.6236	0.031	150	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5357	0.191	13	109.6236	0.031	150	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6137	0.058	13	109.6236	0.031	150	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,2|C<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.3973	0.129	7	109.4291	0.024	13	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.2720	0.017	2	109.4291	0.024	13	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.6865	0.016	2	109.4291	0.024	13	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.4400	0.024	2	109.4291	0.024	13	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|B<3>,1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.5978	0.020	5	109.6593	0.118	24	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|B<4>,1|H<1>,1|N<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6926	0.420	16	109.6593	0.118	24	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2{1|C<2>,1|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4910	0.000	1	109.6593	0.118	24	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|Se<1>,1|H<1>,1|N<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6310	0.059	2	109.6593	0.118	24	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	108.3570	0.922	2	108.3570	0.850	2	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]N[6,6]2C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|N<3>,2|O<1>}	C[6,6](C[3x6]N[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4922	0.030	5	109.4922	0.001	5	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]N[6,6]2C[6a])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|N<3>,2|O<1>}	C[6,6](C[3x6]N[6,6]2C[6a])(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.4925	0.009	2	109.4925	0.000	2	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2C[6a])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(H)2{1|Cr<9>,1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C[6a])(C[6,6]C[3x6]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.4512	1.498	6	110.4512	2.245	6	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.6067	0.121	3	109.5641	0.009	7	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5323	0.073	4	109.5641	0.009	7	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6a])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C[6a])(C[6,6]C[3x6]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(H)2{1|Cr<9>,1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0473	0.653	6	110.0473	0.427	6	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6a])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]N[6,6]2C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C[6a])(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,2|N<3>,2|O<1>}	C[6,6](C[3x6]N[6,6]2C)(C[6,6]C[3x6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.5032	0.048	4	109.5032	0.002	4	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	112.4153	1.493	4	112.4153	2.229	4	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8610	0.004	2	109.8610	0.000	2	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.9880	0.013	2	109.9880	0.000	2	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,2|C<2>,2|C<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.5775	0.062	2	109.7224	0.015	7	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.9230	0.000	1	109.7224	0.015	7	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7447	0.015	4	109.7224	0.015	7	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|S<2>}	H(C[6,6]C[3x6]C[6,6]H)	109.0343	0.810	3	109.0343	0.655	3	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,2|C<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6644	0.136	8	109.7076	0.016	14	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7250	0.059	2	109.7076	0.016	14	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7260	0.133	2	109.7076	0.016	14	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8445	0.023	2	109.7076	0.016	14	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.6890	0.052	2	109.7070	0.002	6	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.7160	0.042	4	109.7070	0.002	6	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|I<1>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8199	0.045	7	109.8929	1.063	89	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7742	0.085	4	109.8929	1.063	89	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8880	0.028	2	109.8929	1.063	89	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7214	0.111	8	109.8929	1.063	89	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	111.0168	3.285	4	109.8929	1.063	89	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6050	0.000	1	109.8929	1.063	89	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.1085	3.834	4	109.8929	1.063	89	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0252	0.773	8	109.8929	1.063	89	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<4>,1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7900	0.042	2	109.8929	1.063	89	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{3|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6287	0.081	4	109.8929	1.063	89	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|I<1>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8147	0.035	7	109.8929	1.063	89	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8315	0.076	6	109.8929	1.063	89	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6338	0.086	5	109.8929	1.063	89	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0671	0.879	8	109.8929	1.063	89	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7870	0.023	2	109.8929	1.063	89	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7382	0.064	4	109.8929	1.063	89	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9537	0.073	6	109.8929	1.063	89	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<4>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4940	0.000	1	109.8929	1.063	89	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6790	0.034	2	109.8929	1.063	89	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7955	0.124	4	109.8929	1.063	89	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8758	0.086	17	109.8329	0.036	39	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7999	0.239	22	109.8329	0.036	39	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<2>}	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|C<2>}	H(C[6,6]C[3x6]C[6,6]H)	107.9775	0.943	2	109.0458	0.960	6	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(H)2{3|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.2330	0.085	2	109.0458	0.960	6	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,2|C<2>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9270	0.013	2	109.0458	0.960	6	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	112.2550	2.245	3	110.0850	1.152	24	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7080	0.034	2	110.0850	1.152	24	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8360	0.060	4	110.0850	1.152	24	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|N<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7863	0.058	3	110.0850	1.152	24	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.6483	0.099	6	110.0850	1.152	24	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.8945	0.056	2	110.0850	1.152	24	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.8430	0.016	2	110.0850	1.152	24	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8955	0.022	2	110.0850	1.152	24	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9820	0.000	1	109.3122	15.661	5	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.1448	4.549	4	109.3122	15.661	5	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|P<4>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|Pd<4>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.6115	0.065	4	109.5695	0.006	10	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|P<4>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|Pt<4>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.5670	0.082	4	109.5695	0.006	10	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|P<4>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.4905	0.074	2	109.5695	0.006	10	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]N[6,6]2C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|N<3>,2|O<1>}	C[6,6](C[3x6]N[6,6]2C)(C[6,6]C[3x6]HH)(H)2{2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8450	0.010	2	109.8450	0.000	2	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]N[6,6]2C[6a])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|N<3>,2|O<1>}	C[6,6](C[3x6]N[6,6]2C[6a])(C[6,6]C[3x6]HH)(H)2{3|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.8345	0.013	2	109.8345	0.000	2	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7281	0.084	17	109.7400	0.037	39	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7491	0.247	22	109.7400	0.037	39	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|C<2>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<2>}	H(C[6,6]C[3x6]C[6,6]H)	112.3275	2.853	2	110.5167	3.598	6	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,2|C<2>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6575	0.019	2	110.5167	3.598	6	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(H)2{3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.5650	0.064	2	110.5167	3.598	6	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2{1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.8160	0.000	1	109.7547	0.049	23	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|B<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	110.0662	0.097	5	109.7547	0.049	23	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|B<4>,1|H<1>,1|N<3>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.6311	0.147	15	109.7547	0.049	23	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|Se<1>,1|H<1>,1|N<3>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.8730	0.021	2	109.7547	0.049	23	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|C<5>,1|H<1>,1|O<2>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.3624	0.059	5	109.3624	0.003	5	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[6,6]C[3x6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.7320	0.000	1	109.7320	0.000	1	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>}	H(C[6,6]C[3x6]C[6,6]H)	110.2500	0.017	2	110.0020	0.509	24	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7105	0.049	2	110.0020	0.509	24	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9660	0.040	4	110.0020	0.509	24	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0366	0.061	5	110.0020	0.509	24	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8120	0.048	2	110.0020	0.509	24	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.6760	1.652	4	110.0020	0.509	24	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7755	0.015	2	110.0020	0.509	24	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|N<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4000	0.230	3	110.0020	0.509	24	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[6,6]C[3x6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	110.2220	0.000	1	110.2220	0.000	1	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9773	0.098	20	110.0258	0.015	42	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0699	0.125	22	110.0258	0.015	42	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.2055	0.035	2	110.2805	1.592	24	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<5>,1|O<2>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0655	0.056	2	110.2805	1.592	24	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8875	0.018	2	110.2805	1.592	24	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9172	0.079	8	110.2805	1.592	24	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.7076	1.923	10	110.2805	1.592	24	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	112.0035	1.276	2	112.0035	1.629	2	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.8290	0.000	1	110.7374	5.258	5	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(H)2{2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	110.9645	2.582	4	110.7374	5.258	5	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|C<5>,1|H<1>,1|O<2>}	H(C[6,6]C[3x6]C[6,6]H)	110.2492	0.056	5	110.2492	0.003	5	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,2|O<2>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.7082	0.081	4	109.7082	0.007	4	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<5>,1|O<2>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0830	0.000	1	110.4976	0.822	23	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	110.3260	0.006	2	110.4976	0.822	23	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	110.2947	0.058	8	110.4976	0.822	23	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.8496	1.317	10	110.4976	0.822	23	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6,6]C[3x6]C[6,6]H)	109.9275	0.012	2	110.4976	0.822	23	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[3x6]HH)(H)2{1|H<1>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.7540	0.020	4	109.7540	0.000	4	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]P[4x6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]As[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]P[4x6]H)(C[6,6]C[3x6]HH)(H)2{1|As<3>,1|C<3>,1|C<4>,1|W<6>,2|H<1>}	C[6,6](C[3x6]As[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.0460	0.042	4	109.0460	0.002	4	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|Pd<4>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|P<4>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5083	0.125	4	109.4751	0.008	10	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|Pt<4>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|P<4>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4345	0.062	4	109.4751	0.008	10	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|P<4>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4900	0.064	2	109.4751	0.008	10	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|N<4>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0087	0.009	3	110.0829	0.009	7	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|N<4>,2|C<4>,3|H<1>}	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.1385	0.094	4	110.0829	0.009	7	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]N[5,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]N[5,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.8208	0.362	4	109.8208	0.131	4	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]N[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]N[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|N<3>,2|O<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.1620	0.011	6	110.1620	0.000	6	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]N[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2C[6a])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]N[6,6]2C)(C[6,6]C[3x6]HH)(H)2{2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6]2C[6a])(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,2|N<3>,2|O<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0605	0.046	4	110.0605	0.002	4	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]N[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]N[6,6]2C)(C[6,6]C[3x6]HH)(H)2{2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|N<3>,2|O<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.1195	0.009	2	110.1195	0.000	2	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]N[6,6]2C[6a])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]N[6,6]2C[6a])(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|N<3>,2|O<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.1940	0.047	2	110.1940	0.002	2	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]N[6,6]2C[6a])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]N[6,6]2C[6a])(C[6,6]C[3x6]HH)(H)2{3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|N<3>,2|O<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0690	0.023	2	110.0690	0.001	2	109.7897	0.462	1268	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4,3x6]C[6]H)(C[6,6]C[4,6,6]HH)(H)2	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4,3x6]C[6]H)(C[6,6]C[4,6,6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[3x6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	108.9005	0.012	2	108.8704	0.001	7	108.4996	0.263	24	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4,3x6]C[6]H)(C[6,6]C[4,6,6]HH)(H)2	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4,3x6]C[6]H)(C[6,6]C[4,6,6]HH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	108.8617	0.020	3	108.8704	0.001	7	108.4996	0.263	24	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4,3x6]C[6]H)(C[6,6]C[4,6,6]HH)(H)2	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4,3x6]C[6]H)(C[6,6]C[4,6,6]HH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	108.8535	0.019	2	108.8704	0.001	7	108.4996	0.263	24	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4,6,6]C[6]O[6])(C[6,6]C[4,6,6]HH)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4,6,6]C[6]O[6])(C[6,6]C[4,6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[3x6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	108.3345	0.197	13	108.3345	0.039	13	108.4996	0.263	24	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4,6,6]C[6]S[6])(C[6,6]C[4,6,6]HH)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4,6,6]C[6]S[6])(C[6,6]C[4,6,6]HH)(H)2{1|C<3>,1|S<2>,2|C<4>,4|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[3x6]HH)(H)2{1|S<2>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	108.3872	1.185	4	108.3872	1.404	4	108.4996	0.263	24	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2	C[6,6](C[4x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2{1|C<3>,4|C<4>}	C[6,6](C[4x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7057	0.022	3	109.7057	0.000	3	109.8644	0.263	81	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2	C[6,6](C[4x6]C[5,3x6]C[6,6a]C[6,6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2{2|C<3>,3|C<4>}	C[6,6](C[4x6]C[5,3x6]C[6,6a]C[6,6])(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7825	0.016	2	109.7825	0.000	2	109.8644	0.263	81	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]HH)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|H<1>,6|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.6399	0.092	12	109.6399	0.008	12	109.8644	0.263	81	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]HH)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{1|Si<4>,1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.2055	0.047	2	109.3655	0.016	6	109.8644	0.263	81	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]HH)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{1|Si<4>,1|O<1>,2|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.4455	0.016	4	109.3655	0.016	6	109.8644	0.263	81	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2	C[6,6](C[4x6]C[3x6]2C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2{2|H<1>,5|C<4>}	C[6,6](C[4x6]C[3x6]2C)(C[6,6]C[3x6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	110.1075	0.013	2	110.1075	0.000	2	109.8644	0.263	81	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2	C[6,6](C[4x6]C[3x6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2{1|I<1>,2|C<4>,4|H<1>}	C[6,6](C[4x6]C[3x6]2H)(C[6,6]C[3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7650	0.021	2	109.7650	0.000	2	109.8644	0.263	81	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6965	0.039	2	109.7747	0.706	23	109.8644	0.263	81	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6960	0.000	1	109.7747	0.706	23	109.8644	0.263	81	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7813	0.017	3	109.7747	0.706	23	109.8644	0.263	81	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9627	2.254	4	109.7747	0.706	23	109.8644	0.263	81	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{4|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7636	0.133	5	109.7747	0.706	23	109.8644	0.263	81	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6855	0.030	2	109.7747	0.706	23	109.8644	0.263	81	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.7890	0.025	2	109.7747	0.706	23	109.8644	0.263	81	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{2|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6917	0.037	4	109.7747	0.706	23	109.8644	0.263	81	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]HH)(H)2	C[6,6](C[4x6]C[3x6]C[4x6]C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]HH)(H)2{2|H<1>,3|C<4>}	C[6,6](C[4x6]C[3x6]C[4x6]C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	110.1838	0.043	4	110.1838	0.002	4	109.8644	0.263	81	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]HH)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.8357	0.053	3	109.8357	0.003	3	109.8644	0.263	81	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2	C[6,6](C[4x6]C[3x6]2C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2{2|H<1>,3|C<4>}	C[6,6](C[4x6]C[3x6]2C)(C[6,6]C[3x6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[6,6]C[3x6]C[6,6]H)	110.1592	0.138	6	110.1592	0.019	6	109.8644	0.263	81	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2	C[6,6](C[4x6]C[3x6]C[4x6]C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2{2|H<1>,3|C<4>}	C[6,6](C[4x6]C[3x6]C[4x6]C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	110.1608	0.091	4	110.1714	0.016	16	109.8644	0.263	81	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2	C[6,6](C[4x6]C[3x6]C[4x6]C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2{2|H<1>,3|C<4>}	C[6,6](C[4x6]C[3x6]C[4x6]C)(C[6,6]C[3x6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[6,6]C[3x6]C[6,6]H)	110.1750	0.137	12	110.1714	0.016	16	109.8644	0.263	81	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2{5|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2{2|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9815	0.026	2	109.9815	0.001	2	109.8644	0.263	81	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2{1|Br<1>,3|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8660	0.040	2	110.1174	0.264	8	109.9813	0.139	18	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.8880	0.010	2	110.1174	0.264	8	109.9813	0.139	18	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.7720	0.018	2	110.1174	0.264	8	109.9813	0.139	18	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.9435	0.090	2	110.1174	0.264	8	109.9813	0.139	18	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2	C[6,6](C[5,3x6]C[4,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[4,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.6920	0.044	2	109.6920	0.002	2	109.9813	0.139	18	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]Cl)(C[6,6]C[5,3x6]HH)(H)2	C[6,6](C[5,3x6]C[5,4x6]C[5,6,6]Cl)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4x6]C[6,6]Cl)(C[6,6]C[5,3x6]HH)(H)2{2|Cl<1>,2|H<1>,3|C<4>}	C[6,6](C[5,3x6]C[5,4x6]C[5,6,6]Cl)(C[6,6]C[3x6]HH)(H)2{2|Cl<1>,1|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	110.1470	0.000	1	110.1470	0.000	1	109.9813	0.139	18	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2	C[6,6](C[5,3x6]C[5,4x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[5,3x6]C[5,4x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0445	0.015	2	110.0445	0.000	2	109.9813	0.139	18	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2{3|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.7737	0.080	3	109.7737	0.006	3	109.9813	0.139	18	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]HH)(H)2	C[6,6](C[5,3x6]C[5,6,6]2O[6,6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6,6](C[5,3x6]C[5,6,6]2O[6,6])(C[6,6]C[3x6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[6,6]C[3x6]C[6,6]H)	109.8915	0.022	2	109.8915	0.000	2	109.9813	0.139	18	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[5,4x6]HH)(H)2	C[6,6](C[5,4x6]C[3,6,6]C[5,3x6]C[5,6,6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[5,4x6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,4x6]C[3,6,6]C[5,3x6]C[5,6,6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,5|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.3120	0.068	5	109.3120	0.005	5	109.3120	0.005	5	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(H)2	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.5940	0.000	1	109.5940	0.000	1	109.5940	0.000	1	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2F)(C[6,6]N[3x6]HH)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2F)(C[6,6]N[3x6]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,1|F<1>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8390	0.189	3	109.8870	0.050	19	109.7736	1.687	411	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2F)(C[6,6]N[3x6]HH)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2F)(C[6,6]N[3x6]HH)(H)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|F<1>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8960	0.234	16	109.8870	0.050	19	109.7736	1.687	411	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|B<4>,1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8657	0.018	4	109.8287	0.007	10	109.7736	1.687	411	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|B<4>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6960	0.014	2	109.8287	0.007	10	109.7736	1.687	411	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|B<4>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8580	0.083	4	109.8287	0.007	10	109.7736	1.687	411	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8021	0.661	20	109.8250	0.251	35	109.7736	1.687	411	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8557	0.123	15	109.8250	0.251	35	109.7736	1.687	411	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2F)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|F<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2F)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.2710	0.111	3	109.2710	0.012	3	109.7736	1.687	411	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7652	2.875	82	109.7649	1.985	344	109.7736	1.687	411	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|N<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7263	0.083	6	109.7649	1.985	344	109.7736	1.687	411	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6713	0.096	4	109.7649	1.985	344	109.7736	1.687	411	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|N<4>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5221	0.198	23	109.7649	1.985	344	109.7736	1.687	411	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8069	0.213	156	109.7649	1.985	344	109.7736	1.687	411	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8731	0.167	7	109.7649	1.985	344	109.7736	1.687	411	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7623	0.142	62	109.7649	1.985	344	109.7736	1.687	411	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5210	0.021	4	109.7649	1.985	344	109.7736	1.687	411	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[6x6]HH)(H)2	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[6x6]HH)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.8590	0.000	1	109.8590	0.000	1	109.8287	0.001	3	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]HH)(H)2	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]HH)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]HH)(H)2{5|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8135	0.028	2	109.8135	0.001	2	109.8287	0.001	3	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]N[3x6]HH)(H)2	C[6,6](N[3x6]B[4x3,4x5,4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]N[3x6]HH)(H)2{1|B<5>,2|C<4>,4|H<1>}	C[6,6](N[3x6]B[4x3,4x5,4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2{3|C<4>,4|B<6>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4555	0.108	6	109.4555	0.012	6	109.9714	0.846	82	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[6,6](N[3x6]B[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|B<4>,2|C<4>,4|H<1>}	C[6,6](N[3x6]B[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2{5|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0315	0.048	4	110.0315	0.002	4	109.9714	0.846	82	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[6,6](N[3x6]C[6,6]2Al)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|Al<4>,2|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2Al)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7700	0.042	4	109.9304	0.033	8	109.9714	0.846	82	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[6,6](N[3x6]C[6,6]2Al)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|Al<5>,1|C<3>,2|C<4>,3|H<1>}	C[6,6](N[3x6]C[6,6]2Al)(C[6,6]C[3x6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0907	0.087	4	109.9304	0.033	8	109.9714	0.846	82	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[6,6](N[3x6]C[6,6]2Cu)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|Cu<4>,2|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2Cu)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6989	0.839	8	109.6989	0.705	8	109.9714	0.846	82	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[6,6](N[3x6]C[6,6]2Ga)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|Ga<4>,2|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2Ga)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8023	0.058	13	109.8023	0.003	13	109.9714	0.846	82	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[6,6](N[3x6]C[6,6]2In)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|In<4>,2|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2In)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8524	0.490	18	109.8524	0.240	18	109.9714	0.846	82	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[6,6](N[3x6]C[6,6]2Li)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|Li<4>,2|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2Li)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.8404	2.069	12	110.8404	4.281	12	109.9714	0.846	82	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[6,6](N[3x6]C[6,6]2Sn)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|Sn<4>,2|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2Sn)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8826	0.153	5	109.8826	0.023	5	109.9714	0.846	82	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	C[6,6](N[3x6]C[6,6]2Zn)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|Zn<5>,2|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2Zn)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9365	0.054	8	109.9365	0.003	8	109.9714	0.846	82	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	N[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(H)2	C[6,6](N[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(H)2{3|H<1>,4|C<4>}	C[6,6](N[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{4|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9540	0.023	2	109.9540	0.001	2	109.9540	0.001	2	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,5x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4,3x6]C[4,4,3x6]C[4,5,4x6]H)(C[6,6]C[5,5x6]HH)(H)2	C[6,6](C[5,5x6]C[4,5,4x6]C[5,5,4x6]H)(C[6,6]C[4,3x6]HH)(H)2	H(C[6,6]C[4,3x6]C[6,6]H)	C[6,6](C[4,3x6]C[4,4,3x6]C[4,5,4x6]H)(C[6,6]C[5,5x6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,5x6]C[4,5,4x6]C[5,5,4x6]H)(C[6,6]C[4,3x6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[4,3x6]C[6,6]H)	111.3470	2.157	2	111.3470	4.651	2	111.3470	4.651	2	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4,3x6]C[4,6,6]C[4,6]C[6])(C[6,6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[4,3x6]HH)(C[6,6]C[4,6,6]HH)(H)2	H(C[6,6]C[4,3x6]C[6,6]H)	C[6,6](C[4,3x6]C[4,6,6]C[4,6]C[6])(C[6,6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[4,3x6]HH)(C[6,6]C[4,6,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6,6]C[4,3x6]C[6,6]H)	108.0795	0.030	2	108.0795	0.001	2	108.0795	0.001	2	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[4,3x6]C[6]H)(C[6,6]C[4,6,6]HH)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[4,3x6]C[6]H)(C[6,6]C[4,6,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.4320	0.067	4	109.4467	0.002	8	109.0124	1.181	25	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[4,3x6]C[6]H)(C[6,6]C[4,6,6]HH)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[4,3x6]C[6]H)(C[6,6]C[4,6,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.4595	0.021	2	109.4467	0.002	8	109.0124	1.181	25	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[4,3x6]C[6]H)(C[6,6]C[4,6,6]HH)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[3x6]HH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[3x6]C[4,3x6]C[6]H)(C[6,6]C[4,6,6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.4635	0.013	2	109.4467	0.002	8	109.0124	1.181	25	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[4,6,6]C[6]O[6])(C[6,6]C[4,6,6]HH)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[3x6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[4,6,6]C[6]O[6])(C[6,6]C[4,6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	108.9312	0.069	13	108.9312	0.005	13	109.0124	1.181	25	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[4,6,6]C[6]S[6])(C[6,6]C[4,6,6]HH)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[3x6]HH)(H)2{1|S<2>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[4,6,6]C[6]S[6])(C[6,6]C[4,6,6]HH)(H)2{1|C<3>,1|S<2>,2|C<4>,4|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	108.4078	2.899	4	108.4078	8.406	4	109.0124	1.181	25	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[5,6,6]HH)(H)2	C[6,6](C[5,6,6]C[4,6,6]C[5]N[5])(C[6,6]C[4,6,6]HH)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[5,6,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[4,6,6]C[5]N[5])(C[6,6]C[4,6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	108.9250	0.159	4	108.9250	0.025	4	109.0044	0.029	9	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[5,6,6]HH)(H)2	C[6,6](C[5,6,6]C[4,6,6]C[5]O[5])(C[6,6]C[4,6,6]HH)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[5,6,6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[4,6,6]C[5]O[5])(C[6,6]C[4,6,6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.0680	0.169	5	109.0680	0.029	5	109.0044	0.029	9	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[4,3x6]HH)(C[6,6]C[4,6,6]HH)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[4,3x6]HH)(C[6,6]C[4,6,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	108.8775	0.008	2	108.8775	0.000	2	109.1778	1.065	87	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.1861	1.451	43	109.1861	2.106	43	109.1778	1.065	87	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[4,6,6]CN)(C[6,6]C[4,6,6]HH)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2{1|N<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[4,6,6]CN)(C[6,6]C[4,6,6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	108.8700	0.024	2	108.8432	0.001	4	109.1778	1.065	87	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[4,6,6]CN)(C[6,6]C[4,6,6]HH)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[4,6,6]CN)(C[6,6]C[4,6,6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	108.8165	0.005	2	108.8432	0.001	4	109.1778	1.065	87	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.1482	0.165	6	109.1482	0.027	6	109.1778	1.065	87	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2{2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.1631	0.161	19	109.1736	0.027	20	109.1778	1.065	87	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2{2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.3740	0.000	1	109.1736	0.027	20	109.1778	1.065	87	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[4,6,6]HH)2(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2{2|Cl<1>,1|C<4>,1|S<4>,3|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)2(H)2{2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	108.9562	0.068	4	108.9562	0.005	4	109.1778	1.065	87	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]N[4,6]C)(C[6,6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[4,6,6]HH)2(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]N[4,6]C)(C[6,6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.7020	0.024	2	109.7020	0.001	2	109.1778	1.065	87	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]N[4,6]H)(C[6,6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[4,6,6]HH)2(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]N[4,6]H)(C[6,6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.4800	0.018	2	109.4800	0.000	2	109.1778	1.065	87	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]S[4,6]C)(C[6,6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[4,6,6]HH)2(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]S[4,6]C)(C[6,6]C[6,6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)2(H)2{1|H<1>,1|S<2>,2|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.0460	0.024	2	109.0460	0.001	2	109.1778	1.065	87	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]S[4,6]H)(C[6,6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[4,6,6]HH)2(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]S[4,6]H)(C[6,6]C[6,6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)2(H)2{1|H<1>,1|S<2>,2|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.8480	0.024	2	109.8480	0.001	2	109.1778	1.065	87	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]N[6,6]HH)(H)2	C[6,6](C[6,6]C[4,6,6]HH)(N[6,6]C[4,6,6]CH)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]N[6,6]HH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[4,6,6]HH)(N[6,6]C[4,6,6]CH)(H)2{2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.2505	0.039	2	109.2505	0.002	2	109.2505	0.002	2	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]2C)(C[6,6]C[3x6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2{2|H<1>,5|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	109.1925	0.046	2	109.1925	0.002	2	109.5943	0.140	79	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]2C)(C[6,6]C[3x6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	109.3843	0.167	6	109.3843	0.028	6	109.5943	0.140	79	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]2H)(C[6,6]C[3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2{1|I<1>,2|C<4>,4|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.6495	0.036	2	109.6495	0.001	2	109.5943	0.140	79	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[4x6]C)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[4x6]C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	109.4570	0.036	4	109.4570	0.001	4	109.5943	0.140	79	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[4x6]C)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[4x6]C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	109.3785	0.019	2	109.3836	0.004	14	109.5943	0.140	79	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[4x6]C)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[4x6]C)(C[6,6]C[3x6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	109.3845	0.064	12	109.3836	0.004	14	109.5943	0.140	79	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|H<1>,6|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.6876	0.152	12	109.6876	0.023	12	109.5943	0.140	79	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2{2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2{5|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	109.6545	0.035	2	109.6545	0.001	2	109.5943	0.140	79	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{1|Si<4>,1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	109.8250	0.044	2	109.8250	0.002	2	109.5943	0.140	79	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.8340	0.016	2	109.6072	0.316	25	109.5943	0.140	79	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.2990	0.013	2	109.6072	0.316	25	109.5943	0.140	79	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.2740	0.013	2	109.6072	0.316	25	109.5943	0.140	79	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	109.6535	0.018	2	109.6072	0.316	25	109.5943	0.140	79	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	109.5787	0.085	4	109.6072	0.316	25	109.5943	0.140	79	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	110.2185	1.318	4	109.6072	0.316	25	109.5943	0.140	79	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	109.3898	0.016	4	109.6072	0.316	25	109.5943	0.140	79	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{4|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	109.4620	0.097	5	109.6072	0.316	25	109.5943	0.140	79	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	110.0952	0.049	4	110.0952	0.002	4	109.5943	0.140	79	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[5,6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	109.8177	0.124	4	109.8177	0.015	4	109.5943	0.140	79	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6a]C[6,6])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[5,6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[5,3x6]C[6,6a]C[6,6])(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2{2|C<3>,3|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	109.8590	0.033	2	109.8590	0.001	2	109.5943	0.140	79	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.9765	0.045	2	110.1605	0.014	12	109.9618	0.066	37	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	110.2650	0.018	2	110.1605	0.014	12	109.9618	0.066	37	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	110.0755	0.013	2	110.1605	0.014	12	109.9618	0.066	37	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	110.2735	0.063	2	110.1605	0.014	12	109.9618	0.066	37	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	110.1155	0.009	2	110.1605	0.014	12	109.9618	0.066	37	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	110.2570	0.025	2	110.1605	0.014	12	109.9618	0.066	37	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[4x6]HH)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[4x6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6]C[4x6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	109.3060	0.020	2	109.4780	0.040	4	109.9618	0.066	37	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[4x6]HH)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[4x6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6]C[4x6]HH)(H)2{3|C<3>,5|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	109.6500	0.035	2	109.4780	0.040	4	109.9618	0.066	37	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6]C[4x6]HH)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6]C[4x6]HH)(H)2{1|C<3>,7|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[4x6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	109.7555	0.022	2	109.7223	0.002	4	109.9618	0.066	37	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6]C[4x6]HH)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6]C[4x6]HH)(H)2{3|C<3>,5|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[4x6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	109.6890	0.044	2	109.7223	0.002	4	109.9618	0.066	37	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[6,6]C[4x6]HH)(H)2	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[6,6]C[4x6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[6,6]C[4x6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	109.9917	0.168	17	109.9917	0.028	17	109.9618	0.066	37	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[5,3x6]HH)(H)2	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[5,3x6]HH)(H)2{2|N<3>,3|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(H)2{1|H<1>,4|C<3>,4|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	110.1430	0.570	2	110.1120	0.110	4	110.1120	0.110	4	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[5,3x6]HH)(H)2	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[5,3x6]HH)(H)2{2|N<3>,3|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(H)2{2|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	110.0810	0.040	2	110.1120	0.110	4	110.1120	0.110	4	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,4x6]HH)(H)2	C[6,6](C[5,4x6]C[5,3x6]C[5,6]O[6,6])(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,4x6]HH)(H)2{1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[5,4x6]C[5,3x6]C[5,6]O[6,6])(C[6,6]C[4x6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	109.9965	0.011	2	109.9965	0.000	2	109.9753	0.001	3	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[5,4x6]HH)(H)2	C[6,6](C[5,4x6]C[5,5,3x6]C[3x6]N[5])(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[5,4x6]HH)(H)2{2|N<3>,3|C<4>,5|H<1>}	C[6,6](C[5,4x6]C[5,5,3x6]C[3x6]N[5])(C[6,6]C[4x6]HH)(H)2{2|O<2>,3|C<3>,4|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	109.9330	0.000	1	109.9330	0.000	1	109.9753	0.001	3	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[5,5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[5,5,3x6]HH)(H)2	C[6,6](C[5,5,3x6]C[3x5,6,6]C[5,6,6]N[5])(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[5,5,3x6]HH)(H)2{2|N<3>,3|C<4>,5|H<1>}	C[6,6](C[5,5,3x6]C[3x5,6,6]C[5,6,6]N[5])(C[6,6]C[4x6]HH)(H)2{1|O<2>,4|C<3>,4|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	109.7915	0.197	2	109.7915	0.039	2	109.7915	0.039	2	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[6,6]C[5x6]HH)(H)2	C[6,6](C[5x6]C[5x6]C[6x6]H)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[6,6]C[5x6]HH)(H)2{1|Br<1>,3|C<4>,3|H<1>}	C[6,6](C[5x6]C[5x6]C[6x6]H)(C[6,6]C[4x6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	110.1845	0.047	4	110.1845	0.002	4	110.1845	0.002	4	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[6x6]HH)(H)2	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[6x6]HH)(H)2{1|C<2>,1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[4x6]HH)(H)2{1|O<1>,2|H<1>,6|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	109.6080	0.006	2	109.4530	0.065	4	109.4530	0.065	4	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[6x6]HH)(H)2	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[6x6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,6|C<4>}	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[4x6]HH)(H)2{1|O<1>,2|H<1>,6|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	109.0770	0.000	1	109.4530	0.065	4	109.4530	0.065	4	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[6x6]HH)(H)2	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[6x6]HH)(H)2{1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[4x6]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	109.5190	0.000	1	109.4530	0.065	4	109.4530	0.065	4	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[4,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[4,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[5,3x6]C[6,6]H)	109.7010	0.040	2	109.7010	0.002	2	109.8091	0.438	17	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[5,3x6]C[6,6]H)	109.6590	0.016	2	109.9896	0.846	8	109.8091	0.438	17	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[5,3x6]C[6,6]H)	109.5350	0.007	2	109.9896	0.846	8	109.8091	0.438	17	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2{1|Br<1>,3|C<4>,3|H<1>}	H(C[6,6]C[5,3x6]C[6,6]H)	109.5435	0.076	2	109.9896	0.846	8	109.8091	0.438	17	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[5,3x6]C[6,6]H)	111.2210	1.360	2	109.9896	0.846	8	109.8091	0.438	17	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,4x6]C[5,6,6]Cl)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[4x6]C[6,6]Cl)(C[6,6]C[5,3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,4x6]C[5,6,6]Cl)(C[6,6]C[3x6]HH)(H)2{2|Cl<1>,1|H<1>,4|C<4>}	C[6,6](C[3x6]C[4x6]C[6,6]Cl)(C[6,6]C[5,3x6]HH)(H)2{2|Cl<1>,2|H<1>,3|C<4>}	H(C[6,6]C[5,3x6]C[6,6]H)	109.7980	0.000	1	109.7980	0.000	1	109.8091	0.438	17	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,4x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,4x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[5,3x6]C[6,6]H)	109.4810	0.000	1	109.4810	0.000	1	109.8091	0.438	17	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[5,3x6]C[6,6]H)	109.4765	0.147	4	109.4765	0.022	4	109.8091	0.438	17	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]2O[6,6])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,6,6]2O[6,6])(C[6,6]C[3x6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6,6]C[5,3x6]C[6,6]H)	110.2510	0.000	1	110.2510	0.000	1	109.8091	0.438	17	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(H)2	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[5,3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(H)2{1|H<1>,4|C<3>,4|C<4>}	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[5,3x6]HH)(H)2{2|N<3>,3|C<4>,5|H<1>}	H(C[6,6]C[5,3x6]C[6,6]H)	109.3700	0.594	2	109.3268	0.122	4	109.3268	0.122	4	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(H)2	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[5,3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(H)2{2|H<1>,3|C<3>,4|C<4>}	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[5,3x6]HH)(H)2{2|N<3>,3|C<4>,5|H<1>}	H(C[6,6]C[5,3x6]C[6,6]H)	109.2835	0.069	2	109.3268	0.122	4	109.3268	0.122	4	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2{1|C<2>,1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[5,3x6]C[6,6]H)	109.5811	0.082	16	109.6132	0.140	51	109.6357	0.185	55	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5,3x6]C[6,6]H)	110.3572	1.192	4	109.6132	0.140	51	109.6357	0.185	55	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[5,3x6]C[6,6]H)	109.5919	0.094	7	109.6132	0.140	51	109.6357	0.185	55	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2{1|C<2>,1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[5,3x6]C[6,6]H)	109.5000	0.063	17	109.6132	0.140	51	109.6357	0.185	55	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5,3x6]C[6,6]H)	109.5579	0.088	7	109.6132	0.140	51	109.6357	0.185	55	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]HH)(H)2	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[5,3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]HH)(H)2{1|C<3>,2|C<4>,2|N<3>,5|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[5,3x6]HH)(H)2{2|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[5,3x6]C[6,6]H)	110.7345	0.026	2	110.7345	0.001	2	109.6357	0.185	55	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[5,3x6]HH)(H)2	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[5,3x6]HH)(H)2{2|H<1>,3|C<3>,4|C<4>}	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]HH)(H)2{1|C<3>,2|C<4>,2|N<3>,5|H<1>}	H(C[6,6]C[5,3x6]C[6,6]H)	109.1085	0.037	2	109.1085	0.001	2	109.6357	0.185	55	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[4,5,5,6,6]C[5,3x6]H)(C[6,6]C[5,5,3x6]HH)(H)2	C[6,6](C[5,5,3x6]C[4,5,5,6,6]C[3x5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[4,5,5,6,6]C[5,3x6]H)(C[6,6]C[5,5,3x6]HH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[5,5,3x6]C[4,5,5,6,6]C[3x5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[5,3x6]C[6,6]H)	109.8930	0.000	1	109.8930	0.000	1	109.9150	0.001	3	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[4,5,5,6,6]C[5,6,6]H)(C[6,6]C[5,5,3x6]HH)(H)2	C[6,6](C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[4,5,5,6,6]C[5,6,6]H)(C[6,6]C[5,5,3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]H)(C[6,6]C[5,3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[5,3x6]C[6,6]H)	109.9260	0.037	2	109.9260	0.001	2	109.9150	0.001	3	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]2O[5])(C[6,6]C[5x6]HH)(H)2	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[5,3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,6,6]2O[5])(C[6,6]C[5x6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[5,3x6]HH)(H)2{1|C<3>,1|N<4>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[5,3x6]C[6,6]H)	109.4480	0.304	2	109.4480	0.092	2	109.4480	0.092	2	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[3x6]-4:Cl-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]ClH)(H)2	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2C)(Cl)(H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]ClH)(H)2{1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2C)(Cl)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[5,3x6]C[6,6]H)	109.5255	0.019	2	109.5255	0.000	2	109.5255	0.000	2	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]O[6,6]2C)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(H)2{3|C<4>,4|O<2>}	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]O[6,6]2C)(H)2{3|C<4>}	H(C[6,6]C[5,3x6]C[6,6]H)	109.5675	0.016	2	109.5675	0.000	2	109.8563	0.189	24	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]O[6,6]2C)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,4|O<2>}	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]O[6,6]2C)(H)2{1|H<1>,2|C<4>}	H(C[6,6]C[5,3x6]C[6,6]H)	109.9570	0.004	2	109.9570	0.000	2	109.8563	0.189	24	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[5,3x6]C[6,6]H)	109.1660	0.000	1	109.7949	0.229	7	109.8563	0.189	24	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[5,3x6]C[6,6]H)	109.3505	0.018	2	109.7949	0.229	7	109.8563	0.189	24	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[5,3x6]C[6,6]H)	110.1743	0.044	4	109.7949	0.229	7	109.8563	0.189	24	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[5,3x6]C[6,6]H)	109.8985	0.451	4	109.8985	0.204	4	109.8563	0.189	24	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[5,3x6]C[6,6]H)	109.6900	0.649	4	109.6900	0.421	4	109.8563	0.189	24	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]N[5])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]N[5])(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6,6]C[5,3x6]C[6,6]H)	110.5320	0.000	1	110.5320	0.000	1	109.8563	0.189	24	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(H)2{1|O<2>,1|S<4>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[5,3x6]C[6,6]H)	110.0132	0.267	4	110.0132	0.071	4	109.8563	0.189	24	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,4x6]C[3,6,6]C[5,3x6]C[5,6,6])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[5,4x6]HH)(H)2	H(C[6,6]C[5,4x6]C[6,6]H)	C[6,6](C[5,4x6]C[3,6,6]C[5,3x6]C[5,6,6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[5,4x6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[5,4x6]C[6,6]H)	110.1804	0.041	5	110.1804	0.002	5	110.1804	0.002	5	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,4x6]C[5,3x6]C[5,6]O[6,6])(C[6,6]C[4x6]HH)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,4x6]HH)(H)2	H(C[6,6]C[5,4x6]C[6,6]H)	C[6,6](C[5,4x6]C[5,3x6]C[5,6]O[6,6])(C[6,6]C[4x6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,4x6]HH)(H)2{1|O<2>,4|H<1>,5|C<4>}	H(C[6,6]C[5,4x6]C[6,6]H)	109.9305	0.015	2	109.9305	0.000	2	109.8277	0.032	3	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,4x6]C[5,5,3x6]C[3x6]N[5])(C[6,6]C[4x6]HH)(H)2	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[5,4x6]HH)(H)2	H(C[6,6]C[5,4x6]C[6,6]H)	C[6,6](C[5,4x6]C[5,5,3x6]C[3x6]N[5])(C[6,6]C[4x6]HH)(H)2{2|O<2>,3|C<3>,4|C<4>}	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[5,4x6]HH)(H)2{2|N<3>,3|C<4>,5|H<1>}	H(C[6,6]C[5,4x6]C[6,6]H)	109.6220	0.000	1	109.6220	0.000	1	109.8277	0.032	3	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,4x6]C[3x5,3x6]C[5,5,3x6]H)(C[6,6]C[5,4x6]HH)(H)2	C[6,6](C[5,4x6]C[3x5,3x6]C[5,5,3x6]H)(C[6,6]C[5,4x6]HH)(H)2	H(C[6,6]C[5,4x6]C[6,6]H)	C[6,6](C[5,4x6]C[3x5,3x6]C[5,5,3x6]H)(C[6,6]C[5,4x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,4x6]C[3x5,3x6]C[5,5,3x6]H)(C[6,6]C[5,4x6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[5,4x6]C[6,6]H)	109.9410	0.000	1	109.9775	0.003	2	109.9775	0.003	2	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,4x6]C[3x5,3x6]C[5,5,3x6]H)(C[6,6]C[5,4x6]HH)(H)2	C[6,6](C[5,4x6]C[3x5,3x6]C[5,5,3x6]H)(C[6,6]C[5,4x6]HH)(H)2	H(C[6,6]C[5,4x6]C[6,6]H)	C[6,6](C[5,4x6]C[3x5,3x6]C[5,5,3x6]H)(C[6,6]C[5,4x6]HH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[5,4x6]C[3x5,3x6]C[5,5,3x6]H)(C[6,6]C[5,4x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[5,4x6]C[6,6]H)	110.0140	0.000	1	109.9775	0.003	2	109.9775	0.003	2	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,4x6]C[6,6]H)	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5,4x6]C[6,6]H)	109.9865	0.043	2	110.1983	0.043	12	110.1983	0.043	12	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,4x6]C[6,6]H)	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5,4x6]C[6,6]H)	110.0775	0.028	2	110.1983	0.043	12	110.1983	0.043	12	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,4x6]C[6,6]H)	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|N<3>,2|H<1>,2|O<2>,5|C<4>}	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[5,4x6]C[6,6]H)	110.5215	0.180	2	110.1983	0.043	12	110.1983	0.043	12	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,4x6]C[6,6]H)	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[5,4x6]C[6,6]H)	110.2665	0.139	4	110.1983	0.043	12	110.1983	0.043	12	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,4x6]C[6,6]H)	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[5,4x6]C[6,6]H)	110.0715	0.018	2	110.1983	0.043	12	110.1983	0.043	12	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[6x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[5,4x6]HH)(H)2	H(C[6,6]C[5,4x6]C[6,6]H)	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,6|C<4>}	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[5,4x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[5,4x6]C[6,6]H)	109.9745	0.040	2	109.7864	0.018	12	109.7864	0.018	12	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[6x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[5,4x6]HH)(H)2	H(C[6,6]C[5,4x6]C[6,6]H)	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,6|C<4>}	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[5,4x6]HH)(H)2{1|O<1>,2|H<1>,6|C<4>}	H(C[6,6]C[5,4x6]C[6,6]H)	109.5645	0.022	2	109.7864	0.018	12	109.7864	0.018	12	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[6x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[5,4x6]HH)(H)2	H(C[6,6]C[5,4x6]C[6,6]H)	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[5,4x6]HH)(H)2{1|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[5,4x6]C[6,6]H)	109.7750	0.010	2	109.7864	0.018	12	109.7864	0.018	12	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[6x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[5,4x6]HH)(H)2	H(C[6,6]C[5,4x6]C[6,6]H)	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2{1|N<2>,1|O<2>,7|C<4>}	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[5,4x6]HH)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[5,4x6]C[6,6]H)	109.8015	0.074	6	109.7864	0.018	12	109.7864	0.018	12	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,5,3x6]C[3x5,6,6]C[5,6,6]N[5])(C[6,6]C[4x6]HH)(H)2	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[5,5,3x6]HH)(H)2	H(C[6,6]C[5,5,3x6]C[6,6]H)	C[6,6](C[5,5,3x6]C[3x5,6,6]C[5,6,6]N[5])(C[6,6]C[4x6]HH)(H)2{1|O<2>,4|C<3>,4|C<4>}	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[5,5,3x6]HH)(H)2{2|N<3>,3|C<4>,5|H<1>}	H(C[6,6]C[5,5,3x6]C[6,6]H)	108.6435	0.028	2	108.6435	0.001	2	108.6435	0.001	2	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,5,3x6]C[4,5,5,6,6]C[3x5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2	C[6,6](C[5,3x6]C[4,5,5,6,6]C[5,3x6]H)(C[6,6]C[5,5,3x6]HH)(H)2	H(C[6,6]C[5,5,3x6]C[6,6]H)	C[6,6](C[5,5,3x6]C[4,5,5,6,6]C[3x5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[4,5,5,6,6]C[5,3x6]H)(C[6,6]C[5,5,3x6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[5,5,3x6]C[6,6]H)	109.8160	0.000	1	109.8160	0.000	1	109.8347	0.001	3	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]H)(C[6,6]C[5,3x6]HH)(H)2	C[6,6](C[5,3x6]C[4,5,5,6,6]C[5,6,6]H)(C[6,6]C[5,5,3x6]HH)(H)2	H(C[6,6]C[5,5,3x6]C[6,6]H)	C[6,6](C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]H)(C[6,6]C[5,3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[4,5,5,6,6]C[5,6,6]H)(C[6,6]C[5,5,3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5,5,3x6]C[6,6]H)	109.8440	0.033	2	109.8440	0.001	2	109.8347	0.001	3	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[6,6]C[5,5,3x6]HH)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,5,3x6]C[6,6]H)	C[6,6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,5,3x6]HH)(C[3x6]C[6,6]2H)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[5,5,3x6]C[6,6]H)	110.0120	0.004	2	110.0120	0.000	2	110.0120	0.000	2	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5x6]-4:C[6,6]-4:H-1:H-1:	C[4,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,5x6]C[4,5,4x6]C[5,5,4x6]H)(C[6,6]C[4,3x6]HH)(H)2	C[6,6](C[4,3x6]C[4,4,3x6]C[4,5,4x6]H)(C[6,6]C[5,5x6]HH)(H)2	H(C[6,6]C[5,5x6]C[6,6]H)	C[6,6](C[5,5x6]C[4,5,4x6]C[5,5,4x6]H)(C[6,6]C[4,3x6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[4,3x6]C[4,4,3x6]C[4,5,4x6]H)(C[6,6]C[5,5x6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[5,5x6]C[6,6]H)	113.5835	1.001	2	113.5835	1.001	2	113.5835	1.001	2	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[3,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,3x6]HH)(H)2	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6,6]C[5,6,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,3x6]HH)(H)2{3|C<4>,4|H<1>}	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6,6]C[5,6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[5,6,6]C[6,6]H)	109.5335	0.030	2	109.5335	0.001	2	109.5335	0.001	2	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[4,6,6]C[5]N[5])(C[6,6]C[4,6,6]HH)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[5,6,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[4,6,6]C[5]N[5])(C[6,6]C[4,6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[5,6,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6,6]C[6,6]H)	108.3397	0.023	3	108.3397	0.001	3	108.3429	0.008	9	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[4,6,6]C[5]O[5])(C[6,6]C[4,6,6]HH)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[5,6,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[4,6,6]C[5]O[5])(C[6,6]C[4,6,6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[5,6,6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6,6]C[6,6]H)	108.3445	0.111	6	108.3445	0.012	6	108.3429	0.008	9	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:Cl-1:H-1:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]ClH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(Cl)(H)	H(C[6,6]C[5x6]C[6,6]H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]ClH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(Cl)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[5x6]C[6,6]H)	110.0463	0.086	3	110.0463	0.007	3	110.0463	0.007	3	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(H)2	H(C[6,6]C[5x6]C[6,6]H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[5x6]C[6,6]H)	109.7030	0.006	2	109.7030	0.000	2	109.7030	0.000	2	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5x6]C[5x6]C[6x6]H)(C[6,6]C[4x6]HH)(H)2	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[6,6]C[5x6]HH)(H)2	H(C[6,6]C[5x6]C[6,6]H)	C[6,6](C[5x6]C[5x6]C[6x6]H)(C[6,6]C[4x6]HH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[6,6]C[5x6]HH)(H)2{1|Br<1>,3|C<4>,3|H<1>}	H(C[6,6]C[5x6]C[6,6]H)	109.9627	0.062	4	109.9627	0.004	4	109.9627	0.004	4	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[5,3x6]HH)(H)2	C[6,6](C[5,3x6]C[5,6,6]2O[5])(C[6,6]C[5x6]HH)(H)2	H(C[6,6]C[5x6]C[6,6]H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[5,3x6]HH)(H)2{1|C<3>,1|N<4>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,3x6]C[5,6,6]2O[5])(C[6,6]C[5x6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[5x6]C[6,6]H)	110.4235	1.852	2	110.4235	3.430	2	110.4235	3.430	2	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[3x6]-4:Cl-1:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2C)(Cl)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]ClH)(H)2	H(C[6,6]C[3x6]C[6,6]Cl)	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2C)(Cl)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]ClH)(H)2{1|C<3>,1|O<1>,2|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6,6]Cl)	108.4240	0.000	1	108.4240	0.000	1	108.4240	0.000	1	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[3x6]-4:Cl-1:H-1:	C[6,6]-4:C[3x6]-4:Cl-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]ClH)(C[3x6]C[6,6]2H)(Cl)(H)	C[6,6](C[6,6]C[3x6]ClH)(C[3x6]C[6,6]2H)(Cl)(H)	H(C[6,6]C[3x6]C[6,6]Cl)	C[6,6](C[6,6]C[3x6]ClH)(C[3x6]C[6,6]2H)(Cl)(H){2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[3x6]ClH)(C[3x6]C[6,6]2H)(Cl)(H){2|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]Cl)	108.4365	0.736	2	108.4365	0.542	2	108.4365	0.542	2	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.8230	0.025	2	109.6655	0.041	6	109.6724	0.144	23	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.4853	0.060	3	109.6655	0.041	6	109.6724	0.144	23	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.8910	0.000	1	109.6655	0.041	6	109.6724	0.144	23	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.8270	0.403	4	109.8270	0.162	4	109.6724	0.144	23	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4815	0.630	4	109.4815	0.397	4	109.6724	0.144	23	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2	C[6,6](C[5,3x6]C[5,6,6]C[6,6]N[5])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]N[5])(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4115	0.025	2	109.4115	0.001	2	109.6724	0.144	23	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(H)2{1|O<2>,1|S<4>,2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4560	0.351	3	109.4560	0.123	3	109.6724	0.144	23	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]O[6,6]2C)(H)2	C[6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]O[6,6]2C)(H)2{3|C<4>}	C[6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(H)2{3|C<4>,4|O<2>}	H(C[6,6]C[3x6]C[6,6]H)	110.1280	0.016	2	110.1280	0.000	2	109.6724	0.144	23	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]O[6,6]2C)(H)2	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]O[6,6]2C)(H)2{1|H<1>,2|C<4>}	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,4|O<2>}	H(C[6,6]C[3x6]C[6,6]H)	109.8955	0.022	2	109.8955	0.000	2	109.6724	0.144	23	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(H)2	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.4505	0.016	2	109.8289	0.712	10	109.8289	0.712	10	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(H)2	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.4615	0.030	2	109.8289	0.712	10	109.8289	0.712	10	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(H)2	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.4995	0.009	2	109.8289	0.712	10	109.8289	0.712	10	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(H)2	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4225	0.008	2	109.8289	0.712	10	109.8289	0.712	10	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(H)2	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|N<3>,2|H<1>,2|O<2>,5|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	111.3105	0.957	2	109.8289	0.712	10	109.8289	0.712	10	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[5,5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,3x6]HH)(C[3x6]C[6,6]2H)(H)2	C[6,6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,5,3x6]HH)(C[3x6]C[6,6]2H)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5800	0.007	2	109.5800	0.000	2	109.5800	0.000	2	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	N[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2	C[6,6](N[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]N[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2{3|H<1>,4|C<4>}	C[6,6](N[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(H)2{4|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6265	0.074	2	109.6265	0.006	2	109.6265	0.006	2	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,3x6]HH)(C[6,6]C[4,6,6]HH)(H)2	C[6,6](C[4,3x6]C[4,6,6]C[4,6]C[6])(C[6,6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[4,3x6]HH)(C[6,6]C[4,6,6]HH)(H)2{1|H<1>,3|C<4>}	C[6,6](C[4,3x6]C[4,6,6]C[4,6]C[6])(C[6,6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]2H)	108.3780	0.014	2	108.3780	0.000	2	108.3780	0.000	2	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,3x6]HH)(C[6,6]C[4,6,6]HH)(H)2	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[4,3x6]HH)(C[6,6]C[4,6,6]HH)(H)2{1|H<1>,3|C<4>}	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	108.3740	0.000	1	108.3740	0.000	1	108.4386	1.073	81	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)2{2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[6,6]2H)	108.4293	1.475	39	108.4293	2.175	39	108.4386	1.073	81	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]CN)(C[6,6]C[4,6,6]HH)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[4,6,6]CN)(C[6,6]C[4,6,6]HH)(H)2{2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2{1|N<2>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]2H)	108.2540	0.000	1	108.2433	0.002	3	108.4386	1.073	81	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]CN)(C[6,6]C[4,6,6]HH)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[4,6,6]CN)(C[6,6]C[4,6,6]HH)(H)2{2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]2H)	108.2380	0.061	2	108.2433	0.002	3	108.4386	1.073	81	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(H)2{2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2H)	108.4627	0.168	6	108.4627	0.028	6	108.4386	1.073	81	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2{2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	108.5523	0.090	19	108.5667	0.009	21	108.4386	1.073	81	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2{2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[6,6]2H)	108.7035	0.022	2	108.5667	0.009	21	108.4386	1.073	81	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)2(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[4,6,6]HH)2(H)2{2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2{2|Cl<1>,1|C<4>,1|S<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	108.3283	0.034	3	108.3283	0.001	3	108.4386	1.073	81	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)2(H)2	C[6,6](C[4,6,6]C[4,6]N[4,6]C)(C[6,6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[4,6,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6,6](C[4,6,6]C[4,6]N[4,6]C)(C[6,6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[6,6]C[6,6]2H)	108.7640	0.028	2	108.7640	0.001	2	108.4386	1.073	81	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)2(H)2	C[6,6](C[4,6,6]C[4,6]N[4,6]H)(C[6,6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[4,6,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6,6](C[4,6,6]C[4,6]N[4,6]H)(C[6,6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[6,6]C[6,6]2H)	108.7605	0.019	2	108.7605	0.000	2	108.4386	1.073	81	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)2(H)2	C[6,6](C[4,6,6]C[4,6]S[4,6]C)(C[6,6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[4,6,6]HH)2(H)2{1|H<1>,1|S<2>,2|C<4>}	C[6,6](C[4,6,6]C[4,6]S[4,6]C)(C[6,6]C[6,6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6,6]C[6,6]2H)	107.7675	0.025	2	107.7675	0.001	2	108.4386	1.073	81	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)2(H)2	C[6,6](C[4,6,6]C[4,6]S[4,6]H)(C[6,6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[4,6,6]HH)2(H)2{1|H<1>,1|S<2>,2|C<4>}	C[6,6](C[4,6,6]C[4,6]S[4,6]H)(C[6,6]C[6,6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6,6]C[6,6]2H)	107.7180	0.006	2	107.7180	0.000	2	108.4386	1.073	81	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2{2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|B<4>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.0895	0.022	2	109.3363	0.018	10	109.9827	0.940	421	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2{3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|B<4>,1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.4005	0.039	4	109.3363	0.018	10	109.9827	0.940	421	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2{3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|B<4>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.3955	0.047	4	109.3363	0.018	10	109.9827	0.940	421	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.8892	0.220	14	110.2318	1.558	34	109.9827	0.940	421	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	110.4716	1.589	20	110.2318	1.558	34	109.9827	0.940	421	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2F)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2F)(H)2{2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|F<1>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	110.1315	0.035	2	110.1315	0.001	2	109.9827	0.940	421	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]2F)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,1|F<1>,4|H<1>}	C[6,6](C[3x6]C[6,6]2F)(C[6,6]N[3x6]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.7312	0.160	4	109.7451	0.057	21	109.9827	0.940	421	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]2F)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|F<1>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2F)(C[6,6]N[3x6]HH)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.7484	0.257	17	109.7451	0.057	21	109.9827	0.940	421	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|N<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.6978	0.058	6	109.9903	0.948	354	109.9827	0.940	421	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.9426	0.078	8	109.9903	0.948	354	109.9827	0.940	421	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.9008	0.104	4	109.9903	0.948	354	109.9827	0.940	421	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|N<4>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.7153	0.231	24	109.9903	0.948	354	109.9827	0.940	421	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.7649	0.318	169	109.9903	0.948	354	109.9827	0.940	421	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.8417	0.173	60	109.9903	0.948	354	109.9827	0.940	421	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.9695	0.037	4	109.9903	0.948	354	109.9827	0.940	421	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	110.7017	1.833	79	109.9903	0.948	354	109.9827	0.940	421	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|H<1>,3|C<4>}	H(C[6,6]C[6,6]N[3x6]H)	108.3400	0.276	2	109.6873	0.110	271	109.9267	0.324	1925	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|H<1>,3|C<4>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	110.5785	3.224	2	109.6873	0.110	271	109.9267	0.324	1925	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.6907	0.229	267	109.6873	0.110	271	109.9267	0.324	1925	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.7186	0.187	94	109.7198	0.034	98	109.9267	0.324	1925	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.7488	0.042	4	109.7198	0.034	98	109.9267	0.324	1925	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2D)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2D)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2D)(H)2{1|D<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2D)(H)2{1|D<1>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	110.0290	0.278	24	110.0290	0.077	24	109.9267	0.324	1925	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.9444	0.178	90	109.9431	0.031	94	109.9267	0.324	1925	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.9140	0.068	4	109.9431	0.031	94	109.9267	0.324	1925	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	110.5392	2.287	4	109.9825	0.397	1417	109.9267	0.324	1925	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.4830	1.654	4	109.9825	0.397	1417	109.9267	0.324	1925	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.9820	0.617	1405	109.9825	0.397	1417	109.9267	0.324	1925	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	110.1158	0.174	4	109.9825	0.397	1417	109.9267	0.324	1925	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	110.1164	0.061	5	110.1164	0.004	5	109.9267	0.324	1925	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	110.1348	0.061	5	110.1348	0.004	5	109.9267	0.324	1925	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.9257	0.099	11	109.9257	0.010	11	109.9267	0.324	1925	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](N[3x6]C[6,6]2Ag)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Ag<6>,2|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2Ag)(C[6,6]N[3x6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.8253	0.099	6	109.8253	0.010	6	109.9000	0.725	168	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](N[3x6]C[6,6]2Co)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Co<4>,2|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2Co)(C[6,6]N[3x6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.9172	0.125	10	109.9172	0.016	10	109.9000	0.725	168	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](N[3x6]C[6,6]2Cu)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Cu<5>,2|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2Cu)(C[6,6]N[3x6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.7674	0.077	5	109.7674	0.006	5	109.9000	0.725	168	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](N[3x6]C[6,6]2Fe)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Fe<5>,2|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2Fe)(C[6,6]N[3x6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	110.0285	0.118	10	110.0285	0.014	10	109.9000	0.725	168	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](N[3x6]C[6,6]2Mn)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Mn<5>,2|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2Mn)(C[6,6]N[3x6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	110.0412	0.094	10	110.0412	0.009	10	109.9000	0.725	168	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](N[3x6]C[6,6]2Ni)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Ni<5>,2|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2Ni)(C[6,6]N[3x6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.7809	1.290	71	109.7809	1.664	71	109.9000	0.725	168	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](N[3x6]C[6,6]2Zn)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Zn<4>,2|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2Zn)(C[6,6]N[3x6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.8573	0.102	14	109.8573	0.010	14	109.9000	0.725	168	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2D)(H)2	C[6,6](N[3x6]C[6,6]2Cu)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2D)(H)2{1|Cu<5>,2|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2Cu)(C[6,6]N[3x6]HH)(H)2{1|D<1>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	110.1785	0.053	6	110.1785	0.003	6	109.9000	0.725	168	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](N[3x6]C[6,6]2Cd)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|Cd<5>,2|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2Cd)(C[6,6]N[3x6]HH)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	110.1690	0.184	6	110.1690	0.034	6	109.9000	0.725	168	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](N[3x6]C[6,6]2Co)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|Co<4>,2|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2Co)(C[6,6]N[3x6]HH)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	110.1650	0.071	5	110.1650	0.005	5	109.9000	0.725	168	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](N[3x6]C[6,6]2Cu)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|Cu<5>,2|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2Cu)(C[6,6]N[3x6]HH)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.9956	0.201	9	109.9956	0.040	9	109.9000	0.725	168	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](N[3x6]C[6,6]2Pt)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|Pt<4>,2|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2Pt)(C[6,6]N[3x6]HH)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.8437	0.037	6	109.8437	0.001	6	109.9000	0.725	168	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](N[3x6]C[6,6]2Zn)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|Zn<4>,2|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2Zn)(C[6,6]N[3x6]HH)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	110.1159	0.140	10	110.1159	0.020	10	109.9000	0.725	168	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)(N[6,6]C[4,6,6]CH)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]N[6,6]HH)(H)2	H(C[6,6]C[6,6]N[6,6]H)	C[6,6](C[6,6]C[4,6,6]HH)(N[6,6]C[4,6,6]CH)(H)2{2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]N[6,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[6,6]N[6,6]H)	108.7580	0.027	2	108.7580	0.001	2	108.7580	0.001	2	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:P[3x6]-4:H-1:H-1:	Si[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]Si[3x6]HH)(P[3x6]C[6,6]2B)(H)2	C[6,6](Si[3x6]C[6,6]2C[6a])(C[6,6]P[3x6]HH)(H)2	H(C[6,6]C[6,6]P[3x6]H)	C[6,6](C[6,6]Si[3x6]HH)(P[3x6]C[6,6]2B)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](Si[3x6]C[6,6]2C[6a])(C[6,6]P[3x6]HH)(H)2{1|B<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]P[3x6]H)	108.3252	0.652	6	108.3252	0.425	6	107.6644	0.610	18	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:P[3x6]-4:H-1:H-1:	Si[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]Si[3x6]HH)(P[3x6]C[6,6]2Pt)(H)2	C[6,6](Si[3x6]C[6,6]2C[6a])(C[6,6]P[3x6]HH)(H)2	H(C[6,6]C[6,6]P[3x6]H)	C[6,6](C[6,6]Si[3x6]HH)(P[3x6]C[6,6]2Pt)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](Si[3x6]C[6,6]2C[6a])(C[6,6]P[3x6]HH)(H)2{1|Pt<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]P[3x6]H)	107.3341	0.626	12	107.3341	0.392	12	107.6644	0.610	18	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[6x6]HH)(H)2	H(C[6,6]C[6,6]C[6x6]H)	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,4|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[6x6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6x6]H)	109.3935	0.016	2	109.3935	0.000	2	109.4980	0.015	4	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]HH)(H)2	H(C[6,6]C[6,6]C[6x6]H)	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]HH)(H)2{5|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6x6]H)	109.6025	0.015	2	109.6025	0.000	2	109.4980	0.015	4	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[4x6]HH)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[6x6]HH)(H)2	H(C[6,6]C[6,6]C[6x6]H)	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[4x6]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[6x6]HH)(H)2{1|H<1>,1|O<1>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6]C[6x6]H)	109.7770	0.000	1	109.7508	0.001	4	109.7508	0.001	4	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[4x6]HH)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[6x6]HH)(H)2	H(C[6,6]C[6,6]C[6x6]H)	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[4x6]HH)(H)2{1|O<1>,2|H<1>,6|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[6x6]HH)(H)2{1|C<2>,1|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6x6]H)	109.7330	0.017	2	109.7508	0.001	4	109.7508	0.001	4	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[4x6]HH)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[6x6]HH)(H)2	H(C[6,6]C[6,6]C[6x6]H)	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[4x6]HH)(H)2{1|O<1>,2|H<1>,6|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[6x6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,6|C<4>}	H(C[6,6]C[6,6]C[6x6]H)	109.7600	0.000	1	109.7508	0.001	4	109.7508	0.001	4	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[5,4x6]HH)(H)2	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2	H(C[6,6]C[6,6]C[6x6]H)	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[5,4x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,6|C<4>}	H(C[6,6]C[6,6]C[6x6]H)	109.2740	0.023	2	109.5825	0.050	12	109.5825	0.050	12	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[5,4x6]HH)(H)2	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2	H(C[6,6]C[6,6]C[6x6]H)	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[5,4x6]HH)(H)2{1|C<3>,4|H<1>,5|C<4>}	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,5|C<4>}	H(C[6,6]C[6,6]C[6x6]H)	109.8300	0.021	2	109.5825	0.050	12	109.5825	0.050	12	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[5,4x6]HH)(H)2	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2	H(C[6,6]C[6,6]C[6x6]H)	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[5,4x6]HH)(H)2{1|O<1>,2|H<1>,6|C<4>}	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,6|C<4>}	H(C[6,6]C[6,6]C[6x6]H)	109.8645	0.013	2	109.5825	0.050	12	109.5825	0.050	12	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[6x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[5,4x6]HH)(H)2	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2	H(C[6,6]C[6,6]C[6x6]H)	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[5,4x6]HH)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2{1|N<2>,1|O<2>,7|C<4>}	H(C[6,6]C[6,6]C[6x6]H)	109.5088	0.097	6	109.5825	0.050	12	109.5825	0.050	12	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]B[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]B[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2{5|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|B<4>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.4220	0.062	4	109.4220	0.004	4	109.5316	0.468	86	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]B[4x3,4x5,4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]B[4x3,4x5,4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2{3|C<4>,4|B<6>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]N[3x6]HH)(H)2{1|B<5>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.3002	0.091	5	109.3002	0.008	5	109.5316	0.468	86	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Al)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Al)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|Al<4>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.3650	0.053	5	109.3859	0.017	9	109.5316	0.468	86	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Al)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Al)(C[6,6]C[3x6]HH)(H)2{3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|Al<5>,1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.4120	0.202	4	109.3859	0.017	9	109.5316	0.468	86	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Cu)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Cu)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|Cu<4>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.4062	0.582	8	109.4062	0.338	8	109.5316	0.468	86	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Ga)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Ga)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|Ga<4>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.4137	0.043	13	109.4137	0.002	13	109.5316	0.468	86	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2In)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2In)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|In<4>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.6933	0.625	18	109.6933	0.391	18	109.5316	0.468	86	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Li)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Li)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|Li<4>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	110.1027	1.482	12	110.1027	2.197	12	109.5316	0.468	86	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Sn)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Sn)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|Sn<4>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.3120	0.130	5	109.3120	0.017	5	109.5316	0.468	86	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Zn)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Zn)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|Zn<5>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.2629	0.067	12	109.2629	0.004	12	109.5316	0.468	86	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Ag)(C[6,6]N[3x6]HH)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Ag)(C[6,6]N[3x6]HH)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Ag<6>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.3517	0.096	6	109.3517	0.009	6	109.4531	0.681	164	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Cd)(C[6,6]N[3x6]HH)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Cd)(C[6,6]N[3x6]HH)(H)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|Cd<5>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.3955	0.261	6	109.3955	0.068	6	109.4531	0.681	164	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Co)(C[6,6]N[3x6]HH)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Co)(C[6,6]N[3x6]HH)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Co<4>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.4877	0.137	11	109.4877	0.019	11	109.4531	0.681	164	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Co)(C[6,6]N[3x6]HH)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Co)(C[6,6]N[3x6]HH)(H)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|Co<4>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.3417	0.063	6	109.3417	0.004	6	109.4531	0.681	164	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Cu)(C[6,6]N[3x6]HH)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Cu)(C[6,6]N[3x6]HH)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Cu<5>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.3465	0.085	4	109.3465	0.007	4	109.4531	0.681	164	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Cu)(C[6,6]N[3x6]HH)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2D)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Cu)(C[6,6]N[3x6]HH)(H)2{1|D<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2D)(H)2{1|Cu<5>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.5974	0.028	5	109.5974	0.001	5	109.4531	0.681	164	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Cu)(C[6,6]N[3x6]HH)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Cu)(C[6,6]N[3x6]HH)(H)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|Cu<5>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.5580	0.095	8	109.5580	0.009	8	109.4531	0.681	164	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Fe)(C[6,6]N[3x6]HH)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Fe)(C[6,6]N[3x6]HH)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Fe<5>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.4439	0.128	8	109.4439	0.016	8	109.4531	0.681	164	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Mn)(C[6,6]N[3x6]HH)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Mn)(C[6,6]N[3x6]HH)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Mn<5>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.4713	0.066	9	109.4713	0.004	9	109.4531	0.681	164	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Ni)(C[6,6]N[3x6]HH)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Ni)(C[6,6]N[3x6]HH)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Ni<5>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.5180	1.253	70	109.5180	1.569	70	109.4531	0.681	164	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Pt)(C[6,6]N[3x6]HH)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Pt)(C[6,6]N[3x6]HH)(H)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|Pt<4>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.2387	0.077	6	109.2387	0.006	6	109.4531	0.681	164	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Zn)(C[6,6]N[3x6]HH)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Zn)(C[6,6]N[3x6]HH)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Zn<4>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.2891	0.116	16	109.2891	0.014	16	109.4531	0.681	164	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Zn)(C[6,6]N[3x6]HH)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Zn)(C[6,6]N[3x6]HH)(H)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|Zn<4>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.3841	0.162	9	109.3841	0.026	9	109.4531	0.681	164	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Cu)(C[6,6]N[3x6]HH)(H)2	C[6,6](N[3x6]C[6,6]2Cu)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Cu)(C[6,6]N[3x6]HH)(H)2{1|Cu<5>,2|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2Cu)(C[6,6]N[3x6]HH)(H)2{1|Cu<5>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.7210	0.103	10	109.7210	0.011	10	109.1875	0.262	22	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]Ga[6,6]O[6,6]C)(C[6,6]N[3x6]HH)(H)2	C[6,6](N[3x6]Ga[6,6]O[6,6]C)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]Ga[6,6]O[6,6]C)(C[6,6]N[3x6]HH)(H)2{1|Ga<4>,1|O<2>,3|C<4>}	C[6,6](N[3x6]Ga[6,6]O[6,6]C)(C[6,6]N[3x6]HH)(H)2{1|Ga<4>,1|O<2>,3|C<4>}	H(C[6,6]C[6,6]N[3x6]H)	108.7430	0.129	12	108.7430	0.017	12	109.1875	0.262	22	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	N[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(H)2	H(C[6,6]C[6,6]N[4x6]H)	C[6,6](N[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{4|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[6,6]N[4x6]H)	109.9610	0.000	1	109.9610	0.000	1	109.9610	0.000	1	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	N[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[6,6]N[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]N[5,3x6]C[6,6]H)	C[6,6](N[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(H)2{4|C<4>,6|H<1>}	C[6,6](C[6,6]N[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2{3|H<1>,4|C<4>}	H(C[6,6]N[5,3x6]C[6,6]H)	109.8280	0.083	2	109.8280	0.007	2	109.8280	0.007	2	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	Si[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:P[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](Si[3x6]C[6,6]2C[6a])(C[6,6]P[3x6]HH)(H)2	C[6,6](C[6,6]Si[3x6]HH)(P[3x6]C[6,6]2B)(H)2	H(C[6,6]Si[3x6]C[6,6]H)	C[6,6](Si[3x6]C[6,6]2C[6a])(C[6,6]P[3x6]HH)(H)2{1|B<4>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]Si[3x6]HH)(P[3x6]C[6,6]2B)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]Si[3x6]C[6,6]H)	108.9577	0.516	6	108.9577	0.266	6	109.3437	0.346	18	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	Si[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:P[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](Si[3x6]C[6,6]2C[6a])(C[6,6]P[3x6]HH)(H)2	C[6,6](C[6,6]Si[3x6]HH)(P[3x6]C[6,6]2Pt)(H)2	H(C[6,6]Si[3x6]C[6,6]H)	C[6,6](Si[3x6]C[6,6]2C[6a])(C[6,6]P[3x6]HH)(H)2{1|Pt<4>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]Si[3x6]HH)(P[3x6]C[6,6]2Pt)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]Si[3x6]C[6,6]H)	109.5367	0.540	12	109.5367	0.292	12	109.3437	0.346	18	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:1:1:	4:	Si[3x6]-4:C[6,6]-4:H-1:H-1:	Si[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](Si[3x6]Si[6,6]2Si)(C[6,6]Si[3x6]HH)(H)2	C[6,6](Si[3x6]Si[6,6]2Si)(C[6,6]Si[3x6]HH)(H)2	H(C[6,6]Si[3x6]C[6,6]H)	C[6,6](Si[3x6]Si[6,6]2Si)(C[6,6]Si[3x6]HH)(H)2{3|Si<4>,4|C<4>}	C[6,6](Si[3x6]Si[6,6]2Si)(C[6,6]Si[3x6]HH)(H)2{3|Si<4>,4|C<4>}	H(C[6,6]Si[3x6]C[6,6]H)	107.9330	0.049	2	107.9330	0.002	2	107.9330	0.002	2	109.7811	0.666	5329	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[3,5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[3,5,6,6]C[3,5,6]C[3,6]C[5])(C[6,6]C[6]O[6]H)(H)2	C[6,6](C[6,6]C[3,5,6,6]HH)(C[6]C[6]CO)(O[6]C[6])(H)	H(C[6,6]C[3,5,6,6]C[6,6]H)	C[6,6](C[3,5,6,6]C[3,5,6]C[3,6]C[5])(C[6,6]C[6]O[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[3,5,6,6]HH)(C[6]C[6]CO)(O[6]C[6])(H){1|O<1>,5|C<4>}	H(C[6,6]C[3,5,6,6]C[6,6]H)	110.0690	0.000	1	110.0690	0.000	1	110.0690	0.000	1	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:Br-1:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HO)(Br)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(OH)(H)	H(C[6,6]C[3x6]C[6,6]Br)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HO)(Br)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]Br)	107.7020	0.004	2	107.7020	0.000	2	107.7020	0.000	2	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-2:Cl-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]ClC)(H)2	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CN)(Cl)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]ClC)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CN)(Cl){1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8635	0.040	2	109.8635	0.002	2	109.6946	0.858	20	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-2:Cl-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]ClC)(H)2	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(CN)(Cl)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]ClC)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(CN)(Cl){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6758	0.977	18	109.6758	0.955	18	109.6946	0.858	20	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(CN)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|W<7>,2|O<2>}	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(CN)(H){1|C<3>,1|C<4>,1|W<7>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0550	0.024	2	110.0550	0.001	2	110.1560	0.015	8	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(CN)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|N<4>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(CN)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.3200	0.000	1	110.3200	0.000	1	110.1560	0.015	8	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CN)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CN)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	110.0870	0.087	3	110.0870	0.007	3	110.1560	0.015	8	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]O)(C[6,6]C[3x6]HH)(CN)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|H<1>,1|N<2>,1|W<7>,2|O<2>}	C[6,6](C[3x6]C[6,6]N[6,6]O)(C[6,6]C[3x6]HH)(CN)(H){1|C<3>,1|C<4>,1|W<7>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.2785	0.013	2	110.2785	0.000	2	110.1560	0.015	8	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:N-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(NC)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(H)2{1|N<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(NC)(H){2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5410	0.070	4	109.5410	0.005	4	109.5410	0.005	4	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6]C[3x6]HO)(H)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(OC)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6]C[3x6]HO)(H)2{1|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(OC)(H){1|C<4>,1|O<2>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.4220	0.000	1	109.4220	0.000	1	109.8140	0.323	26	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(OC)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(H)2{1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9080	0.030	3	109.9080	0.001	3	109.8140	0.323	26	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(OH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7845	0.011	2	109.7845	0.000	2	109.8140	0.323	26	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HO)(H)2	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(OC)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HO)(H)2{1|N<3>,3|C<3>}	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6,6]C[3x6]C[6,6]H)	109.4415	0.010	4	109.4415	0.000	4	109.8140	0.323	26	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HO)(H)2	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(OC[6])(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HO)(H)2{1|N<3>,3|C<3>}	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(OC[6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6,6]C[3x6]C[6,6]H)	109.4415	0.046	2	109.4415	0.002	2	109.8140	0.323	26	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(OC[5])(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(H)2{1|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(OC[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9070	0.007	2	109.9070	0.000	2	109.8140	0.323	26	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(OH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9988	0.777	12	109.9988	0.603	12	109.8140	0.323	26	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:S-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HS)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(SC[6a])(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HS)(H)2{1|Br<1>,1|H<1>,2|C<3>,2|O<2>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(SC[6a])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8640	0.007	2	109.8640	0.000	2	109.8640	0.000	2	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]HO)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.1860	0.018	2	109.1860	0.000	2	109.4073	0.031	6	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OC)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OC)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4785	0.023	2	109.4785	0.001	2	109.4073	0.031	6	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5940	0.000	1	109.5575	0.003	2	109.4073	0.031	6	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OH)(H){2|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5210	0.000	1	109.5575	0.003	2	109.4073	0.031	6	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]O[6]H)(H)2	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HO)(O[6]O[6])(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]O[6]H)(H)2{1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HO)(O[6]O[6])(H){2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.7926	0.171	10	109.7926	0.029	10	109.7926	0.029	10	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,5,6]C[4,6]H)(C[6,6]C[5,6,6]HO)(H)2	C[6,6](C[5,6,6]C[4,5,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(OH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,5,6]C[4,6]H)(C[6,6]C[5,6,6]HO)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[4,5,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.6305	0.032	2	109.6305	0.001	2	109.0458	0.287	5	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[5,6,6]HO)(H)2	C[6,6](C[5,6,6]C[4,6,6]C[5]O[5])(C[6,6]C[4,6,6]HH)(OH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[5,6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[4,6,6]C[5]O[5])(C[6,6]C[4,6,6]HH)(OH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	108.6560	0.058	3	108.6560	0.003	3	109.0458	0.287	5	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N-2:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(H)2	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NC)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NC)(H){2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	108.8110	0.000	1	108.8110	0.000	1	108.8110	0.000	1	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(H)2	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(OC)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(OC)(H){2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	108.9730	0.008	2	108.9730	0.000	2	109.0062	0.002	4	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(H)2	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(OO)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(OO)(H){2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.0395	0.005	2	109.0395	0.000	2	109.0062	0.002	4	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[6,6]C[3x6]HO)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]HH)(OO)(H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[6,6]C[3x6]HO)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]HH)(OO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6,6]C[4x6]C[6,6]H)	110.0460	0.014	2	110.0460	0.000	2	109.9507	0.027	3	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6a]C[6,6])(C[6,6]C[3x6]HO)(H)2	C[6,6](C[3x6]C[5,6,6]O[6,6]O)(C[6,6]C[4x6]HH)(OH)(H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[5,3x6]C[6,6a]C[6,6])(C[6,6]C[3x6]HO)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]O)(C[6,6]C[4x6]HH)(OH)(H){2|C<3>,3|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	109.7600	0.000	1	109.7600	0.000	1	109.9507	0.027	3	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HO)(H)2	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(OS)(H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HO)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(OS)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	110.2815	0.006	2	110.2815	0.000	2	110.2815	0.000	2	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[5,6]O[6]H)(H)2	C[6,6](C[5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[5,3x6]HH)(O[6]C[6])(H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[5,6]O[6]H)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[6,6](C[5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[5,3x6]HH)(O[6]C[6])(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5,3x6]C[6,6]H)	109.8790	0.033	2	109.8790	0.001	2	109.8790	0.001	2	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,5,6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[4,5,6,6]C[5]H)(C[6,6]C[4,5,6,6]HO)(H)2	C[6,6](C[4,5,6,6]C[4,5,6]2C[5])(C[6,6]C[5,6,6]HH)(OC)(H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[4,5,6,6]C[5]H)(C[6,6]C[4,5,6,6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[4,5,6,6]C[4,5,6]2C[5])(C[6,6]C[5,6,6]HH)(OC)(H){1|O<1>,3|H<1>,5|C<4>}	H(C[6,6]C[5,6,6]C[6,6]H)	109.0010	0.000	1	109.0010	0.000	1	109.0010	0.000	1	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]O[6]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6,6]HH)(O[6]C[6])(H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]O[6]H)(H)2{2|C<3>,2|H<1>,3|O<2>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6,6]HH)(O[6]C[6])(H){1|O<2>,2|O<1>,5|C<4>}	H(C[6,6]C[5,6,6]C[6,6]H)	110.1380	0.021	2	110.1380	0.000	2	110.1380	0.000	2	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]O[6]H)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(O[6]C[6])(H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]O[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(O[6]C[6])(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6,6]C[5,6,6]C[6,6]H)	110.3125	0.025	2	110.3125	0.001	2	110.3125	0.001	2	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]O[6]H)(H)2	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]CO)(O[6]C[6])(H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]O[6]H)(H)2{1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]CO)(O[6]C[6])(H){1|O<1>,5|C<4>}	H(C[6,6]C[5,6,6]C[6,6]H)	110.1750	0.025	2	110.1750	0.001	2	110.1750	0.001	2	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-2:Cl-1:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]ClC)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CN)(Cl)	H(C[6,6]C[5x6]C[6,6]H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]ClC)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CN)(Cl){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[5x6]C[6,6]H)	115.8865	5.030	2	115.8865	25.297	2	115.8865	25.297	2	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(OH)(H)	H(C[6,6]C[5x6]C[6,6]H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[5x6]C[6,6]H)	109.3725	0.030	2	109.4835	0.022	8	109.4835	0.022	8	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(OH)(H)	H(C[6,6]C[5x6]C[6,6]H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)2{1|C<3>,1|N<4>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[5x6]C[6,6]H)	109.5205	0.155	6	109.4835	0.022	8	109.4835	0.022	8	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OC)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2{2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OC)(H){3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2H)	108.5439	0.118	14	108.5439	0.014	14	108.5471	0.011	22	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OC[6a])(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2{2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OC[6a])(H){3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2H)	108.5510	0.082	4	108.5510	0.007	4	108.5471	0.011	22	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2{2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OH)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	108.6400	0.004	2	108.5545	0.010	4	108.5471	0.011	22	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2{2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OH)(H){3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2H)	108.4690	0.008	2	108.5545	0.010	4	108.5471	0.011	22	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[5,6]O[6]H)(H)2	C[6,6](C[5,6]C[5,5,6]O[5]C)(C[6,6]C[6,6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[5,6]O[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,5,6]O[5]C)(C[6,6]C[6,6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	H(C[6,6]C[6,6]2H)	109.7455	0.011	2	109.7455	0.000	2	109.7455	0.000	2	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(O[6]C[6])(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]H)(H)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(O[6]C[6])(H){1|H<1>,4|C<3>}	H(C[6,6]C[6,6]2H)	110.1885	0.015	2	110.2650	0.008	4	110.3419	0.708	41	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(O[6]C[6])(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6,6]C[6,6]2H)	110.3415	0.028	2	110.2650	0.008	4	110.3419	0.708	41	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]H)(H)2{1|S<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(O[6]C[6])(H){1|H<1>,4|C<3>}	H(C[6,6]C[6,6]2H)	110.2678	0.064	4	110.2678	0.004	4	110.3419	0.708	41	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5]C[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5]C[6]H)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	110.3435	1.191	2	110.3435	1.420	2	110.3419	0.708	41	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	110.0650	0.016	2	109.6252	0.774	4	110.3419	0.708	41	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2H)	109.1855	1.244	2	109.6252	0.774	4	110.3419	0.708	41	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]O[6]H)2(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6,6]C[6,6]2H)	110.7269	0.951	11	110.6503	0.663	15	110.3419	0.708	41	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]O[6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6,6]C[6,6]2H)	110.4398	0.040	4	110.6503	0.663	15	110.3419	0.708	41	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]O[6]H)2(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6,6]C[6,6]2H)	110.2454	1.028	12	110.2454	1.057	12	110.3419	0.708	41	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:S[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]S[6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(S[6]C[6])(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]S[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(S[6]C[6])(H){1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	109.3695	0.018	2	109.3695	0.000	2	109.3695	0.000	2	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H){3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.6388	0.174	8	109.6388	0.030	8	109.6317	0.025	87	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H){2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.6310	0.157	79	109.6310	0.025	79	109.6317	0.025	87	109.7169	0.844	267	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[5,5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:	C[6,6](C[5,5,6,6]C[5,5,6]2C[5])(C[6,6]C[6]O[6]O)(H)2	C[6,6](C[6,6]C[5,5,6,6]HH)(C[6]C[6]HH)(O[6]C[5,6])(OH)	H(C[6,6]C[5,5,6,6]C[6,6]H)	C[6,6](C[5,5,6,6]C[5,5,6]2C[5])(C[6,6]C[6]O[6]O)(H)2{1|C<3>,1|N<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,5,6,6]HH)(C[6]C[6]HH)(O[6]C[5,6])(OH){1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[5,5,6,6]C[6,6]H)	109.7018	0.068	4	109.7018	0.005	4	109.7018	0.005	4	110.0073	0.077	11	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-2:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]O)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6])(OH)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]N[6]O)(C[6,6]C[6]2H)(H)2{1|C<3>,1|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6])(OH){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]2H)	110.1420	0.019	3	110.0896	0.006	5	110.0896	0.006	5	110.0073	0.077	11	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-2:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]O)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6])(OH)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]N[6]O)(C[6,6]C[6]2H)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6])(OH){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	110.0110	0.042	2	110.0896	0.006	5	110.0896	0.006	5	110.0073	0.077	11	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]O)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]O[6]HH)(O[6]C[6,6])(OH)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]O)(H)2{2|C<3>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]O[6]HH)(O[6]C[6,6])(OH){1|C<3>,1|H<1>,2|C<4>}	H(C[6,6]C[6,6]2H)	110.4125	0.005	2	110.4125	0.000	2	110.4125	0.000	2	110.0073	0.077	11	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6]O[6]C)(H)2	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HH)(O[6]C[6])(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6]O[6]C)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HH)(O[6]C[6])(CH3){1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7830	0.057	2	109.7830	0.003	2	109.5533	0.036	6	109.7639	0.132	14	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]O[6]C)(H)2	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HH)(O[6]C[6])(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]O[6]C)(H)2{1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HH)(O[6]C[6])(CH3){1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.4385	0.080	4	109.4385	0.006	4	109.5533	0.036	6	109.7639	0.132	14	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6]C)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6]HH)(O[6]C[6,6a])(CH3)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6]HH)(O[6]C[6,6a])(CH3){1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]2H)	110.1718	0.260	4	110.1718	0.068	4	109.9218	0.153	8	109.7639	0.132	14	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6]C)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(O[6]C[6,6])(CH3)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6]C)(H)2{2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(O[6]C[6,6])(CH3){1|C<4>,1|H<1>,3|C<3>}	H(C[6,6]C[6,6]2H)	109.9745	0.029	2	109.9745	0.001	2	109.9218	0.153	8	109.7639	0.132	14	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:2:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6]O[6]C)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(O[6]C[6])(CH3)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6]O[6]C)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(O[6]C[6])(CH3){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]2H)	109.3690	0.028	2	109.3690	0.001	2	109.9218	0.153	8	109.7639	0.132	14	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	B[6,6,6a]-4:C[6,6]-4:H-1:H-1:	B[6,6,6a]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C[6a]H)(H)2	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]HH)(C[6a]C[6a]2)(H)	H(C[6,6]B[6,6,6a]C[6,6]H)	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C[6a]H)(H)2{2|N<3>,7|C<3>}	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,2|N<3>,7|C<3>}	H(C[6,6]B[6,6,6a]C[6,6]H)	108.6630	0.025	2	108.6630	0.001	2	108.7558	0.008	6	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	B[6,6,6a]-4:C[6,6]-4:H-1:H-1:	B[6,6,6a]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](B[6,6,6a]N[5,6,6a]2C[6a])(C[6,6]B[6,6,6a]C[6a]H)(H)2	C[6,6](B[6,6,6a]C[5,6,6a]2C[6a])(C[6,6]B[6,6,6a]HH)(C[6a]C[6a]2)(H)	H(C[6,6]B[6,6,6a]C[6,6]H)	C[6,6](B[6,6,6a]N[5,6,6a]2C[6a])(C[6,6]B[6,6,6a]C[6a]H)(H)2{2|C<4>,7|C<3>}	C[6,6](B[6,6,6a]C[5,6,6a]2C[6a])(C[6,6]B[6,6,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,2|N<3>,2|O<2>,5|C<3>}	H(C[6,6]B[6,6,6a]C[6,6]H)	108.8023	0.062	4	108.8023	0.004	4	108.7558	0.008	6	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(COO)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(COO)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8260	0.016	2	109.8243	0.000	4	109.8763	0.246	46	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(COO)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(COO)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8225	0.019	2	109.8243	0.000	4	109.8763	0.246	46	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(CC[6a]O)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(CC[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5798	0.071	6	109.5798	0.005	6	109.8763	0.246	46	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(COO)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(H)2{1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(COO)(H){1|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.4905	0.725	2	109.4905	0.525	2	109.8763	0.246	46	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(COO)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(COO)(H){2|C<3>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.2695	0.005	2	109.2695	0.000	2	109.8763	0.246	46	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCO)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|N<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCO)(H){2|C<3>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.5710	0.041	2	109.5710	0.002	2	109.8763	0.246	46	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(COO)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(COO)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.8285	0.902	2	110.8285	0.813	2	109.8763	0.246	46	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCC)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|H<1>,2|C<2>,2|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|C<2>}	H(C[6,6]C[3x6]C[6,6]H)	110.6030	1.085	2	110.6030	1.177	2	109.8763	0.246	46	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCO)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCO)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6985	0.037	2	109.6985	0.001	2	109.8763	0.246	46	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CC[6a]O)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CC[6a]O)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8563	0.191	3	109.8563	0.037	3	109.8763	0.246	46	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO)(H){2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	111.0210	0.651	2	111.0210	0.423	2	109.8763	0.246	46	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(CNO)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(CNO)(H){2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6760	0.200	4	109.6760	0.040	4	109.8763	0.246	46	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(COO)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(COO)(H){2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7133	0.080	4	109.7133	0.006	4	109.8763	0.246	46	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(COO)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|N<4>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(COO)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8490	0.017	2	109.8490	0.000	2	109.8763	0.246	46	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCO)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCO)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.8040	0.034	2	109.9967	0.112	3	109.8763	0.246	46	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCO)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|N<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCO)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	110.3820	0.000	1	109.9967	0.112	3	109.8763	0.246	46	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]O)(C[6,6]C[3x6]HH)(COO)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|H<1>,1|N<2>,1|W<7>,2|O<2>}	C[6,6](C[3x6]C[6,6]N[6,6]O)(C[6,6]C[3x6]HH)(COO)(H){1|C<3>,1|C<4>,1|W<7>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9295	0.029	4	109.9295	0.001	4	109.8763	0.246	46	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]O)(C[6,6]C[3x6]HH)(COO)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6,6](C[3x6]C[6,6]N[6,6]O)(C[6,6]C[3x6]HH)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0195	0.016	2	110.0195	0.000	2	109.8763	0.246	46	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6]C[3x6]C[6a]H)(H)2	C[6,6](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6]C[3x6]C[6a]H)(H)2{1|C<4>,1|H<1>,6|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.5550	0.007	2	109.5550	0.000	2	109.8397	0.024	10	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]C[6a]H)(H)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]C[6a]H)(H)2{1|C<4>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.9160	0.044	6	109.9109	0.001	8	109.8397	0.024	10	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]C[6a]H)(H)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]C[6a]H)(H)2{1|C<4>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.8955	0.011	2	109.9109	0.001	8	109.8397	0.024	10	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(NOO)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(NOO)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9253	0.056	4	109.9253	0.003	4	109.6735	0.116	24	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(NPdC)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(NPdC)(H){2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0014	0.148	8	110.0014	0.022	8	109.6735	0.116	24	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(H)2	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(NCH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(NCH)(H){2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.3711	0.162	12	109.3711	0.026	12	109.6735	0.116	24	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N[5]H)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N[5]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8940	0.058	2	109.8720	0.002	4	109.9586	0.220	14	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N[5]H)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N[5]H)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8500	0.010	2	109.8720	0.002	4	109.9586	0.220	14	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]N[5]H)(H)2	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]N[5]H)(H)2{1|C<4>,1|N<3>,4|C<3>}	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H){1|C<3>,1|O<2>,2|O<1>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6112	0.035	6	109.6112	0.001	6	109.9586	0.220	14	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]N[5]H)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]N[5]H)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H){1|O<2>,2|H<1>,2|O<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	110.5662	0.451	4	110.5662	0.204	4	109.9586	0.220	14	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CH)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CCO)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|O<2>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CCO)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7140	0.000	1	109.7140	0.000	1	109.6976	0.014	7	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(COO)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(COO)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7712	0.074	4	109.6948	0.017	6	109.6976	0.014	7	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(COO)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(COO)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5420	0.013	2	109.6948	0.017	6	109.6976	0.014	7	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]N[6,6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[3x6]HH)(C[6]N[5,6]CH)(C[6]C[6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,3x6]N[6,6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[3x6]HH)(C[6]N[5,6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0810	0.000	1	110.0810	0.000	1	110.0094	0.025	5	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,5,6,6]N[6,6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[3x6]HH)(C[6]N[5,6]CH)(C[6]C[6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,5,6,6]N[6,6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[3x6]HH)(C[6]N[5,6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.1430	0.045	2	110.1430	0.002	2	110.0094	0.025	5	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[3x6]HH)(C[6]C[5,6,6]CH)(C[6]C[6]C)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(C[6,6]C[6]2H)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[3x6]HH)(C[6]C[5,6,6]CH)(C[6]C[6]C)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8400	0.020	2	109.8400	0.000	2	110.0094	0.025	5	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:B-3:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]BH)(H)2	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(BC[6,6]O)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]BH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(BC[6,6]O)(H){2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	108.8850	0.007	2	108.8850	0.000	2	108.8850	0.000	2	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(H)2	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NNiC)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NNiC)(H){2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.0415	0.159	31	109.0415	0.025	31	109.0415	0.025	31	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[5,3x6]CH)(H)2	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(COO)(H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[5,3x6]CH)(H)2{2|N<3>,3|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(COO)(H){2|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	109.2075	0.141	2	109.1150	0.042	4	109.1150	0.042	4	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[5,3x6]CH)(H)2	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(COO)(H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[5,3x6]CH)(H)2{2|N<3>,3|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(COO)(H){2|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	109.0225	0.267	2	109.1150	0.042	4	109.1150	0.042	4	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[5,3x6]HH)(CCC)(H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[5,3x6]HH)(CCC)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	H(C[6,6]C[5,3x6]C[6,6]H)	110.9870	0.608	2	110.9870	0.370	2	110.9870	0.370	2	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]N[5,6,6]O[6,6]C[5])(C[6,6]C[3x6]C[6a]H)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[5,3x6]HH)(C[6a]C[6a]2)(H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]N[5,6,6]O[6,6]C[5])(C[6,6]C[3x6]C[6a]H)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[5,3x6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[5,3x6]C[6,6]H)	110.7990	0.177	2	110.7990	0.031	2	110.7990	0.031	2	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]CH)(H)2	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[5,3x6]HH)(COO)(H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]CH)(H)2{1|C<3>,2|C<4>,2|N<3>,5|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[5,3x6]HH)(COO)(H){2|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[5,3x6]C[6,6]H)	109.3605	0.009	2	109.3605	0.000	2	109.3605	0.000	2	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,5,6,6]C[5,5,6]N[5,6]N[5])(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[5,5,6,6]HH)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6,6]C[5,5,6,6]C[6,6]H)	C[6,6](C[5,5,6,6]C[5,5,6]N[5,6]N[5])(C[6,6]C[6]2H)(H)2{2|H<1>,4|C<3>,4|C<4>}	C[6,6](C[6,6]C[5,5,6,6]HH)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|N<3>,3|H<1>}	H(C[6,6]C[5,5,6,6]C[6,6]H)	110.4660	3.572	2	110.4660	12.761	2	110.4660	12.761	2	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]N[5,5,6]H)(C[6,6]C[5,6]C[6]H)(H)2	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,5,6]N[5,5,6]H)(C[6,6]C[5,6]C[6]H)(H)2{1|O<2>,3|C<4>,4|C<3>}	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(H){2|C<4>,2|N<3>,3|H<1>}	H(C[6,6]C[5,6,6]C[6,6]H)	112.0320	1.631	2	112.0320	2.659	2	112.0320	2.659	2	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6]C[6]C)(H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6]C[6]C)(H){1|O<2>,2|C<4>,2|N<3>,5|H<1>}	H(C[6,6]C[5,6,6]C[6,6]H)	110.0263	1.697	18	110.0282	0.672	116	110.0282	0.672	116	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6]C[6]C)(H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6]C[6]C)(H){1|N<3>,1|N<4>,1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[5,6,6]C[6,6]H)	110.0286	0.540	98	110.0282	0.672	116	110.0282	0.672	116	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]2H)(H)2{1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]HH)(C[6]C[6]C)(H){1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[5,6,6]C[6,6]H)	110.0335	0.055	4	110.0335	0.003	4	110.2979	0.717	8	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6,6]C[5,6,6]C[6,6]H)	110.6275	2.105	2	110.5623	1.483	4	110.2979	0.717	8	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H){1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6,6]H)	110.4970	0.034	2	110.5623	1.483	4	110.2979	0.717	8	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CCO)(H)	H(C[6,6]C[5x6]C[6,6]H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CCO)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[5x6]C[6,6]H)	109.9305	0.076	2	109.8688	0.007	4	109.8780	0.010	8	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CCO)(H)	H(C[6,6]C[5x6]C[6,6]H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]CH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CCO)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6,6]C[5x6]C[6,6]H)	109.8070	0.033	2	109.8688	0.007	4	109.8780	0.010	8	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(COO)(H)	H(C[6,6]C[5x6]C[6,6]H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]CH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(COO)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[5x6]C[6,6]H)	109.8872	0.130	4	109.8872	0.017	4	109.8780	0.010	8	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2Cl)(H)2	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2Cl)(H)2{2|Cl<1>,1|O<1>,4|C<3>}	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){2|Cl<1>,1|O<1>,2|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.3092	0.055	4	109.3501	0.006	10	109.3159	0.011	12	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2Cl)(H)2	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2Cl)(H)2{2|Cl<1>,2|O<2>,4|C<3>}	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){2|Cl<1>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.3773	0.084	6	109.3501	0.006	10	109.3159	0.011	12	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(H)2{1|C<4>,1|H<1>,2|C<2>,4|C<3>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){1|C<4>,2|C<2>,3|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.1450	0.004	2	109.1450	0.000	2	109.3159	0.011	12	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4x6]C[6a]H)(C[3x6]C[6,6]2H)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[4x6]C[6a]H)(C[3x6]C[6,6]2H)(H)2{1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4933	0.045	6	109.4933	0.002	6	109.4933	0.002	6	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]HN)(C[3x6]C[6,6]2H)(H)2	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,3x6]HN)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H){1|C<3>,3|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.6240	0.035	2	109.5058	0.020	4	109.5058	0.020	4	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]HN)(C[3x6]C[6,6]2H)(H)2	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,3x6]HN)(C[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.3875	0.037	2	109.5058	0.020	4	109.5058	0.020	4	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,4x6]HN)(C[3x6]C[6,6]2H)(H)2	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,4x6]HN)(C[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H){2|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.5505	1.247	2	109.5505	1.554	2	109.5505	1.554	2	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HO)(N[6]C[6]H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[6]N[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HO)(N[6]C[6]H)(H){2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.1675	0.039	2	110.1675	0.002	2	110.1675	0.002	2	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(C[6]C[6]2)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]N[3x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(C[6]C[6]2)(H){1|C<3>,1|N<3>,2|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0165	0.012	4	110.0165	0.000	4	110.0165	0.000	4	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[4,6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[5]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]N[5]H)(C[4,6,6]C[4,6]2H)(H)2	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[5]C[5]2)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[6,6]C[6,6]N[5]H)(C[4,6,6]C[4,6]2H)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[5]C[5]2)(H){4|C<4>,6|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.3490	0.000	1	109.3490	0.000	1	109.3490	0.000	1	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[4,6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(H)2	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[6]C[6]2)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[6]C[6]2)(H){4|C<4>,6|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.4785	0.045	2	109.4785	0.002	2	109.4785	0.002	2	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:Br-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(Br)(H)	C[6,6](C[6,6]C[6,6]BrH)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]2Br)	C[6,6](C[6,6]C[6]2H)2(Br)(H){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]BrH)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]2Br)	108.9530	0.000	1	108.9530	0.000	1	108.9530	0.000	1	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:Cl-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)2(Cl)(H)	C[6,6](C[6,6]C[6,6]ClH)(C[6]C[6]CH)(N[6]C[6]C)(H)	H(C[6,6]C[6,6]2Cl)	C[6,6](C[6,6]C[6]N[6]H)2(Cl)(H){2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]ClH)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	H(C[6,6]C[6,6]2Cl)	109.4110	0.248	4	109.4110	0.061	4	109.4110	0.061	4	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:F-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6]O[6]H)(F)(H)	C[6,6](C[6,6]C[6,6]FH)(C[6,6]C[6]3)(C[6]C[6]F)(H)	H(C[6,6]C[6,6]2F)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6]O[6]H)(F)(H){1|F<1>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[6,6]FH)(C[6,6]C[6]3)(C[6]C[6]F)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]2F)	109.8110	0.000	1	109.8110	0.000	1	109.8110	0.000	1	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5,5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6]C[6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[5,5,6]C[5,5]N[5,6]N[5])(C[6,6]C[6,6]HH)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5,5,6]C[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[6,6](C[5,5,6]C[5,5]N[5,6]N[5])(C[6,6]C[6,6]HH)(C[6]C[6]H)(H){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[6,6]2H)	110.0350	0.017	2	110.0350	0.000	2	110.0350	0.000	2	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5,5,6]-4:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6]N[6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[5,5,6]C[5,5,6]N[5]O[5])(C[6,6]C[6,6]HH)(N[6]C[6]H)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5,5,6]N[6]H)(C[6,6]C[6]2H)(H)2{3|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6,6](C[5,5,6]C[5,5,6]N[5]O[5])(C[6,6]C[6,6]HH)(N[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	H(C[6,6]C[6,6]2H)	109.9150	0.051	2	109.9150	0.003	2	109.9150	0.003	2	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]N[6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5,6]N[6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|N<2>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,5|H<1>}	H(C[6,6]C[6,6]2H)	109.7375	0.050	2	109.7375	0.003	2	110.7539	0.524	29	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6]C)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6]C)(H){1|Al<5>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]2H)	110.1333	0.048	3	110.1333	0.002	3	110.7539	0.524	29	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	C[6,6](C[6,6]N[6,6]C[6]C)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{1|O<1>,2|N<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]N[6,6]C[6]C)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H){3|H<1>,5|C<4>}	H(C[6,6]C[6,6]2H)	110.3605	0.042	2	110.3605	0.002	2	110.7539	0.524	29	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6,6]H)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6,6]H)(H){3|H<1>,5|C<4>}	H(C[6,6]C[6,6]2H)	111.1425	0.418	2	111.1540	0.658	4	110.7539	0.524	29	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6,6]H)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{1|C<3>,1|C<4>,2|N<4>,5|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6,6]H)(H){4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2H)	111.1655	1.341	2	111.1540	0.658	4	110.7539	0.524	29	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{1|H<1>,1|O<2>,2|C<4>,2|N<3>,2|O<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]2H)	111.9605	1.456	2	111.1200	0.849	8	110.7539	0.524	29	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{1|H<1>,1|O<2>,2|C<4>,2|N<3>,2|O<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	111.5920	0.486	2	111.1200	0.849	8	110.7539	0.524	29	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{2|C<4>,2|H<1>,2|N<3>,2|O<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]2H)	110.4638	0.041	4	111.1200	0.849	8	110.7539	0.524	29	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	C[6,6](C[6,6]N[6,6]C[6]O)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{1|H<1>,1|O<2>,2|C<4>,2|N<3>,2|O<1>}	C[6,6](C[6,6]N[6,6]C[6]O)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]2H)	111.1835	0.971	2	110.7690	0.167	10	110.7539	0.524	29	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	C[6,6](C[6,6]N[6,6]C[6]O)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{1|H<1>,1|O<2>,2|C<4>,2|N<3>,2|O<1>}	C[6,6](C[6,6]N[6,6]C[6]O)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	110.6900	0.348	2	110.7690	0.167	10	110.7539	0.524	29	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	C[6,6](C[6,6]N[6,6]C[6]O)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{2|C<4>,2|N<3>,2|O<1>,2|O<2>}	C[6,6](C[6,6]N[6,6]C[6]O)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]2H)	110.6525	0.043	2	110.7690	0.167	10	110.7539	0.524	29	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	C[6,6](C[6,6]N[6,6]C[6]O)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{2|C<4>,2|N<3>,2|O<1>,2|O<2>}	C[6,6](C[6,6]N[6,6]C[6]O)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	110.6595	0.029	4	110.7690	0.167	10	110.7539	0.524	29	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]N[5a,6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[5a,6]C)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5a,6]N[5a,6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,1|N<3>,5|C<3>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[5a,6]C)(H){1|H<1>,1|N<3>,3|C<3>}	H(C[6,6]C[6,6]2H)	109.7200	0.000	1	109.7200	0.000	1	110.0310	0.413	66	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CC)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2{1|N<3>,1|S<4>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CC)(C[6]C[6]C)(H){1|N<3>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]2H)	109.8145	0.049	2	109.8145	0.002	2	110.0310	0.413	66	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[3,6,6]HO)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[3,6,6]HO)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6,6]C[6,6]2H)	109.4125	0.015	2	109.4125	0.000	2	110.0310	0.413	66	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	H(C[6,6]C[6,6]2H)	110.0190	0.000	1	109.8488	0.024	5	110.0310	0.413	66	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]2H)	109.8063	0.143	4	109.8488	0.024	5	110.0310	0.413	66	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)2{1|N<3>,2|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)(C[6]C[6]C)(H){1|O<1>,1|S<4>,3|C<4>}	H(C[6,6]C[6,6]2H)	109.7140	0.034	2	109.7140	0.001	2	110.0310	0.413	66	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CC)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|B<3>,1|H<1>,1|O<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CC)(C[6]C[6]O)(H){2|C<4>,5|H<1>}	H(C[6,6]C[6,6]2H)	109.9200	0.000	1	109.9200	0.000	1	110.0310	0.413	66	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[6,6]2H)	110.0010	0.019	4	110.0010	0.000	4	110.0310	0.413	66	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]N[6]O)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]N[6]O)(H){1|S<4>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	110.0797	0.046	6	110.0797	0.002	6	110.0310	0.413	66	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(H){3|H<1>,4|C<4>}	H(C[6,6]C[6,6]2H)	109.7175	0.087	2	109.7175	0.008	2	110.0310	0.413	66	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[6,6]C[6,6]2H)	110.1917	1.077	12	110.1477	0.920	15	110.0310	0.413	66	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]2H)	109.9717	0.077	3	110.1477	0.920	15	110.0310	0.413	66	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{2|C<3>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HO)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	110.1745	0.048	4	110.1745	0.002	4	110.0310	0.413	66	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RhH)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|Rh<6>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RhH)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]2H)	109.2780	0.124	2	109.2780	0.015	2	110.0310	0.413	66	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	110.0965	0.050	2	110.0965	0.003	2	110.0310	0.413	66	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]N[6]O)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|H<1>,1|O<2>,2|C<4>,2|N<3>,2|O<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]N[6]O)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[6,6]C[6,6]2H)	110.6300	0.038	2	110.6300	0.001	2	110.0310	0.413	66	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CO)(C[6]N[6]O)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|H<1>,1|O<2>,2|C<4>,2|N<3>,2|O<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CO)(C[6]N[6]O)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[6,6]C[6,6]2H)	110.5975	0.012	2	111.1197	1.394	4	110.0310	0.413	66	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CO)(C[6]N[6]O)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{2|C<4>,2|N<3>,2|O<1>,2|O<2>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CO)(C[6]N[6]O)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[6,6]C[6,6]2H)	111.6420	1.758	2	111.1197	1.394	4	110.0310	0.413	66	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2Si)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2Si)(C[6,6]C[6]2H)(H)2{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]2H)	109.8967	0.015	3	109.8967	0.000	3	110.0310	0.413	66	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2Si)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]S)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2Si)(C[6,6]C[6]2H)(H)2{1|C<4>,1|N<3>,1|O<1>,1|S<1>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]S)(H){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]2H)	109.9555	0.015	2	109.9555	0.000	2	110.0310	0.413	66	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|O<1>,1|S<4>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,5|H<1>}	H(C[6,6]C[6,6]2H)	109.3495	0.330	2	109.3495	0.109	2	110.0310	0.413	66	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]N[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]C)(H){1|C<3>,2|N<3>,3|H<1>}	H(C[6,6]C[6,6]2H)	109.9322	0.053	5	109.9322	0.003	5	110.0310	0.413	66	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6]N[6]H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(N[6]C[6]S)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6]N[6]H)(H)2{1|S<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(N[6]C[6]S)(H){1|O<1>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]2H)	109.3660	0.040	2	109.3660	0.002	2	109.6870	0.100	8	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(H)2{2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]2H)	110.0100	0.008	2	110.0100	0.000	2	109.6870	0.100	8	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6]S)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|O<1>,1|S<4>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[6,6]2H)	109.4685	0.308	2	109.4685	0.095	2	109.6870	0.100	8	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6a]C[6]2)(C[6,6]C[6]N[6]H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)(N[6]C[6]C)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6a]C[6]2)(C[6,6]C[6]N[6]H)(H)2{1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)(N[6]C[6]C)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	109.9035	0.033	2	109.9035	0.001	2	109.6870	0.100	8	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:I-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6]O[6]H)(C[6,6]C[6]2H)(H)(I)	C[6,6](C[6,6]C[6,6]HI)(C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]2I)	C[6,6](C[6,6]N[6]O[6]H)(C[6,6]C[6]2H)(H)(I){2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]HI)(C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]2I)	108.3180	0.000	1	108.3180	0.000	1	108.3180	0.000	1	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2B)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2B)(H)2{3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H){1|B<4>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.2113	0.098	4	109.2113	0.010	4	110.1260	2.284	102	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H){3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.7527	0.797	20	109.7527	0.635	20	110.1260	2.284	102	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H){2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	110.1700	1.401	76	110.1700	1.962	76	110.1260	2.284	102	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(COO)(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(COO)(H){2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	114.0195	5.906	2	114.0195	34.886	2	110.1260	2.284	102	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]N[6]H)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(N[6]C[6]2)(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]N[6]H)(N[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(N[6]C[6]2)(H){1|C<3>,1|O<1>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.6075	0.012	2	109.6075	0.000	2	109.6075	0.000	2	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]HH)(COO)(H)	H(C[6,6]C[6,6]C[6x6]H)	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]HH)(COO)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6x6]H)	109.6800	0.007	2	109.6800	0.000	2	109.6800	0.000	2	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Al)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Al)(C[6,6]C[3x6]CH)(H)2{3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H){1|Al<5>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.4725	0.185	4	109.4725	0.034	4	109.4725	0.034	4	109.9292	0.887	548	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:N-3:C-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]CN)(H)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(NCC)(CN)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]CN)(H)2{2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(NCC)(CN){1|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.4810	0.010	2	109.4810	0.000	2	109.4810	0.000	2	109.2028	0.352	17	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:N[5]-3:C-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]N[5]C)(H)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(CN)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]N[5]C)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(CN){2|C<4>,4|C<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7095	0.012	2	109.7095	0.000	2	109.7095	0.000	2	109.2028	0.352	17	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:N[6]-3:C-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]N[6]C)(H)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(N[6]C[6]2)(CN)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]N[6]C)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(N[6]C[6]2)(CN){2|C<4>,4|C<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5130	0.011	2	109.5130	0.000	2	109.5130	0.000	2	109.2028	0.352	17	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[6]2O)(H)2	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]CH)(C[6]C[6]O)(OH)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[6]2O)(H)2{1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]CH)(C[6]C[6]O)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5597	0.049	4	109.5597	0.002	4	109.5597	0.002	4	109.2028	0.352	17	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:C-3:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(COO)(OH)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(H)2{2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(COO)(OH){3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2H)	108.4530	0.144	6	108.4530	0.021	6	108.4530	0.021	6	109.2028	0.352	17	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]O)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]N[6]C)(OH)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]N[6]O)(C[6,6]C[6]2H)(H)2{1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]N[6]C)(OH){1|C<3>,1|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	110.0830	0.000	1	110.0830	0.000	1	110.0830	0.000	1	109.2028	0.352	17	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:3:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CC)(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(COO)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CC)(H)2{1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(COO)2{1|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.6475	0.037	2	109.6475	0.001	2	109.6998	0.007	6	109.8184	0.015	19	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:3:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]CC)(H)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(COO)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(COO)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7260	0.093	4	109.7260	0.009	4	109.6998	0.007	6	109.8184	0.015	19	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:3:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(COO)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(COO){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]2H)	110.0180	0.000	1	109.8306	0.017	5	109.8731	0.009	13	109.8184	0.015	19	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:3:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(COO)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(COO){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]2H)	109.7837	0.089	4	109.8306	0.017	5	109.8731	0.009	13	109.8184	0.015	19	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:3:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(COO)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2C)2(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(COO){2|C<4>,4|C<3>}	H(C[6,6]C[6,6]2H)	109.8996	0.064	8	109.8996	0.004	8	109.8731	0.009	13	109.8184	0.015	19	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6]C[3x6]C[6]C)(H)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6]2)(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6]C[3x6]C[6]C)(H)2{2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6]2)(CH3){1|N<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6205	0.021	2	109.6205	0.000	2	109.6205	0.000	2	109.6109	0.055	64	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6a]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]C[6a]C)(H)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(CH3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]C[6a]C)(H)2{1|C<4>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(CH3){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.5930	0.000	1	109.5930	0.000	1	109.5804	0.001	5	109.6109	0.055	64	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6a]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C[6a]C)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(CCHH)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C[6a]C)(H)2{1|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(CCHH){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5773	0.041	4	109.5773	0.002	4	109.5804	0.001	5	109.6109	0.055	64	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6]C)(CH3)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2H)	109.5000	0.014	2	109.5000	0.000	2	109.5000	0.000	2	109.6109	0.055	64	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]B[6,6]HH)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)2{1|B<4>,1|C<3>,7|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]B[6,6]HH)(C[6]C[6]H)(CH3){1|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[6,6]2H)	109.4055	0.051	4	109.4055	0.003	4	109.5873	0.047	48	109.6109	0.055	64	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CC[6a]HH)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2C)2(H)2{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CC[6a]HH){3|C<3>,3|C<4>}	H(C[6,6]C[6,6]2H)	109.8181	0.495	7	109.8181	0.245	7	109.5873	0.047	48	109.6109	0.055	64	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2C)2(H)2{1|C<4>,1|N<3>,1|O<1>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3){1|C<3>,1|H<1>,4|C<4>}	H(C[6,6]C[6,6]2H)	109.5330	0.044	2	109.5632	0.006	37	109.5873	0.047	48	109.6109	0.055	64	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2C)2(H)2{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3){1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[6,6]2H)	109.4775	0.040	4	109.5632	0.006	37	109.5873	0.047	48	109.6109	0.055	64	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2C)2(H)2{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3){2|C<3>,4|C<4>}	H(C[6,6]C[6,6]2H)	109.5506	0.093	9	109.5632	0.006	37	109.5873	0.047	48	109.6109	0.055	64	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2C)2(H)2{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3){3|C<3>,3|C<4>}	H(C[6,6]C[6,6]2H)	109.5868	0.069	22	109.5632	0.006	37	109.5873	0.047	48	109.6109	0.055	64	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:Si-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2Si)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(SiC3)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2Si)(C[6,6]C[6]2H)(H)2{1|C<4>,1|N<3>,1|O<1>,1|S<1>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(SiC3){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]2H)	109.9765	0.040	2	109.9680	0.001	6	109.9680	0.001	6	109.6109	0.055	64	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:Si-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2Si)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(SiC3)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2Si)(C[6,6]C[6]2H)(H)2{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(SiC3){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]2H)	109.9638	0.040	4	109.9680	0.001	6	109.9680	0.001	6	109.6109	0.055	64	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:Si[6]-4:C[6a]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6a]Si[6]C[6])(C[6,6]Si[6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]HH)(Si[6]O[6]CC)(C[6a]C[6a]2)(C[6]N[6]HH)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6a]Si[6]C[6])(C[6,6]Si[6]C[6]H)(H)2{1|N<3>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(Si[6]O[6]CC)(C[6a]C[6a]2)(C[6]N[6]HH){1|Si<4>,1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]2H)	108.9550	0.000	1	108.9550	0.000	1	108.9550	0.000	1	109.6109	0.055	64	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CCCH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4865	0.005	2	109.4705	0.001	4	109.6624	0.167	72	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CCCH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CCCH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4545	0.039	2	109.4705	0.001	4	109.6624	0.167	72	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CH3)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.1380	0.049	2	109.1380	0.002	2	109.6624	0.167	72	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(CHHN)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(H)2{1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(CHHN)(H){1|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.6355	0.021	2	109.6355	0.000	2	109.6624	0.167	72	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CC[6a]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CC[6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.6945	0.029	2	109.6945	0.001	2	109.6624	0.167	72	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CH3)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CH3)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.6915	0.063	2	109.6915	0.004	2	109.6624	0.167	72	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(CCHO)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(CCHO)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[3x6]C[6,6]H)	109.5235	0.154	8	109.5235	0.024	8	109.6624	0.167	72	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CCHO)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CCHO)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.7440	2.379	2	110.7440	5.658	2	109.6624	0.167	72	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){1|C<3>,1|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	110.2700	0.004	2	109.8426	0.061	17	109.6624	0.167	72	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.6537	0.243	6	109.8426	0.061	17	109.6624	0.167	72	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.8853	0.021	3	109.8426	0.061	17	109.6624	0.167	72	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7295	0.012	2	109.8426	0.061	17	109.6624	0.167	72	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|N<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	110.0180	0.017	2	109.8426	0.061	17	109.6624	0.167	72	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.8560	0.072	2	109.8426	0.061	17	109.6624	0.167	72	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CHHO)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CHHO)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6450	0.018	2	109.6450	0.000	2	109.6624	0.167	72	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]HH)(CCHH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]HH)(CCHH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.3310	0.031	2	109.3310	0.001	2	109.6624	0.167	72	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(H)2{1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4950	0.000	1	109.5487	0.017	23	109.6624	0.167	72	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H){1|B<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4376	0.020	5	109.5487	0.017	23	109.6624	0.167	72	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H){1|B<4>,1|N<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5923	0.143	15	109.5487	0.017	23	109.6624	0.167	72	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H){1|Se<1>,1|N<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5255	0.047	2	109.5487	0.017	23	109.6624	0.167	72	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CH3)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CH3)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5535	0.005	2	109.5535	0.000	2	109.6624	0.167	72	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H){1|C<3>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0225	0.026	2	110.0225	0.001	2	109.6624	0.167	72	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]N[5,6,6]N[6,6]H)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CH3)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]N[5,6,6]N[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.8845	0.008	2	109.8845	0.000	2	109.6624	0.167	72	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:P-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HP)(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(PC[6]2B)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HP)(H)2{1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(PC[6]2B)(H){1|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.7755	0.049	2	109.7755	0.002	2	109.7755	0.002	2	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6824	0.030	8	109.6581	0.007	23	109.6761	0.011	31	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6568	0.068	4	109.6581	0.007	23	109.6761	0.011	31	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7625	0.022	2	109.6581	0.007	23	109.6761	0.011	31	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5703	0.061	7	109.6581	0.007	23	109.6761	0.011	31	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	H(C[6,6]C[3x6]C[6,6]H)	109.7630	0.000	1	109.6581	0.007	23	109.6761	0.011	31	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2{1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7710	0.000	1	109.6581	0.007	23	109.6761	0.011	31	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CHHO)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CHHO)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7170	0.174	6	109.7170	0.030	6	109.6761	0.011	31	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(H)2	C[6,6](C[4x6]C[3x6]N[3x6]H)(C[6,6]C[3x6]HH)(CCHO)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(H)2{1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[4x6]C[3x6]N[3x6]H)(C[6,6]C[3x6]HH)(CCHO)(H){1|C<3>,1|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.7605	0.029	2	109.7605	0.001	2	109.6761	0.011	31	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,5,6,6]C[6,6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[3x6]HH)(C[6]C[3,5,6]HH)(C[6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3,5,6,6]C[6,6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]HH)(C[6]C[3,5,6]HH)(C[6]C[6,6]HH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.5750	0.021	2	109.5750	0.000	2	109.6612	0.012	4	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,5,6,6]C[6,6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[3x6]HH)(C[6]C[3,6]HH)(C[6]C[6,6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3,5,6,6]C[6,6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]HH)(C[6]C[3,6]HH)(C[6]C[6,6]HH)(H){3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.7475	0.080	2	109.7475	0.006	2	109.6612	0.012	4	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(CC[6a]HO)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|B<4>,1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(CC[6a]HO)(H){2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7475	0.099	4	109.7894	0.006	8	109.6037	1.868	105	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(CC[6a]HO)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|B<4>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(CC[6a]HO)(H){2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8312	0.016	4	109.7894	0.006	8	109.6037	1.868	105	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6]HO)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6]HO)(H){2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.1866	1.177	7	109.1866	1.385	7	109.6037	1.868	105	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6a]HO)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6a]HO)(H){2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5960	0.146	9	109.5960	0.021	9	109.6037	1.868	105	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6]HO)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6]HO)(H){2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0312	1.654	21	110.0312	2.734	21	109.6037	1.868	105	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]2H)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]2H)(H){2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5820	0.035	2	109.5820	0.001	2	109.6037	1.868	105	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HO)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HO)(H){2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4755	1.480	58	109.4755	2.189	58	109.6037	1.868	105	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	C[6,6](N[3x6]C[6,6]2Al)(C[6,6]C[3x6]HH)(CC[6a]HO)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|Al<5>,1|C<3>,2|C<4>,3|H<1>}	C[6,6](N[3x6]C[6,6]2Al)(C[6,6]C[3x6]HH)(CC[6a]HO)(H){2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0472	0.182	4	110.0472	0.033	4	110.0472	0.033	4	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:B-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]BH)(H)2	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(BN[5]3)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]BH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(BN[5]3)(H){2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	108.4290	0.000	1	108.4290	0.000	1	108.4290	0.000	1	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(H)2	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NPdHH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NPdHH)(H){2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	108.8833	0.063	4	108.8833	0.004	4	108.8833	0.004	4	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[3,4,6]C[4,6,6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[4,6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[3,4,6]C[4,6,6]H)(C[6,6]C[6]2H)(H)2{2|N<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	110.1210	0.079	2	110.1210	0.006	2	110.3839	1.048	7	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[4,6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[6]2H)(H)2{2|C<4>,2|N<3>,5|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	110.4975	2.466	2	110.4975	6.080	2	110.3839	1.048	7	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[4,6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	110.4833	0.054	3	110.4833	0.003	3	110.3839	1.048	7	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]O[6])(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[4x6]HH)(CH3)(H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]O[6])(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[4x6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6,6]C[4x6]C[6,6]H)	109.8495	0.023	2	109.8495	0.001	2	109.8495	0.001	2	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]HH)(CH3)(H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6,6]C[5,3x6]C[6,6]H)	110.2138	0.076	4	110.2138	0.006	4	110.4708	1.108	6	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[5,3x6]HH)(CHHO)(H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[5,3x6]HH)(CHHO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[6,6]C[5,3x6]C[6,6]H)	110.9850	2.175	2	110.9850	4.731	2	110.4708	1.108	6	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O[5])(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[5,5,3x6]HH)(CH3)(H)	H(C[6,6]C[5,5,3x6]C[6,6]H)	C[6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O[5])(C[6,6]C[3x6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[5,5,3x6]HH)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6,6]C[5,5,3x6]C[6,6]H)	109.4090	0.064	2	109.4090	0.004	2	109.5668	0.024	6	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O[5])(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,5,3x6]HH)(CH3)(H)	H(C[6,6]C[5,5,3x6]C[6,6]H)	C[6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O[5])(C[6,6]C[3x6]CH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,5,3x6]HH)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6,6]C[5,5,3x6]C[6,6]H)	109.6457	0.120	4	109.6457	0.014	4	109.5668	0.024	6	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6,6]-4:Br-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)(Br)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]BrH)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6,6]C[6,6]Br)	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)(Br)(H){5|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]BrH)(C[6]C[6]HH)(H){1|Br<1>,4|C<4>,5|H<1>}	H(C[6,6]C[5,6,6]C[6,6]Br)	107.6860	0.000	1	107.6860	0.000	1	107.6860	0.000	1	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]N[5,5,6]H)(C[6,6]C[5,6]C[6]H)(H)2	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[5,6,6]HH)(C[6]C[5,6]CO)(H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,5,6]N[5,5,6]H)(C[6,6]C[5,6]C[6]H)(H)2{2|O<2>,3|C<4>,4|C<3>}	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[5,6,6]HH)(C[6]C[5,6]CO)(H){1|N<2>,1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[6,6]H)	110.6760	0.851	2	110.6760	0.725	2	110.6760	0.725	2	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6]C[6]CN)(H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|H<1>,1|N<2>,6|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6]C[6]CN)(H){1|O<2>,2|C<4>,2|N<3>,5|H<1>}	H(C[6,6]C[5,6,6]C[6,6]H)	109.7975	0.029	2	109.7975	0.001	2	109.7975	0.001	2	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]HH)2(H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]HH)2(H){1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[6,6]H)	110.0520	0.017	2	110.0520	0.000	2	110.1241	0.018	8	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]O[5,6]C)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,6,6]O[5,6]C)(C[6,6]C[6]2H)(H)2{1|N<4>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6,6]HH)(C[6]N[5,6]HH)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6,6]C[5,6,6]C[6,6]H)	110.2545	0.025	2	110.2545	0.001	2	110.1241	0.018	8	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]CC)(H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6]2H)(H)2{2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]CC)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[5,6,6]C[6,6]H)	109.9600	0.048	2	109.9600	0.002	2	110.1241	0.018	8	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6]2H)(H)2{3|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[5,6,6]C[6,6]H)	110.2300	0.008	2	110.2300	0.000	2	110.1241	0.018	8	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CHHO)(H)	H(C[6,6]C[5x6]C[6,6]H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CHHO)(H){2|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[5x6]C[6,6]H)	110.0315	0.049	2	109.9518	0.011	8	109.9518	0.011	8	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CHHO)(H)	H(C[6,6]C[5x6]C[6,6]H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|N<4>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CHHO)(H){2|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[5x6]C[6,6]H)	109.9252	0.109	6	109.9518	0.011	8	109.9518	0.011	8	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6]H)(C[3x6]C[6,6]2H)(H)2	C[6,6](C[3,6]C[3,6]C[3]C)(C[6,6]C[3x6]HH)(C[6]N[6]HH)(H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3,6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,4|H<1>,5|C<4>}	C[6,6](C[3,6]C[3,6]C[3]C)(C[6,6]C[3x6]HH)(C[6]N[6]HH)(H){2|Br<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9725	0.974	2	109.9725	0.948	2	109.9725	0.948	2	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[4,6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:B[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]B[6]H)(C[4,6,6]C[4,6]2H)(H)2	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(B[6]N[6]O[6]F)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[6,6]C[6,6]B[6]H)(C[4,6,6]C[4,6]2H)(H)2{1|F<1>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(B[6]N[6]O[6]F)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	108.6280	0.674	4	108.6280	0.454	4	108.6280	0.454	4	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[4,6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(H)2	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[6]C[6]2H)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(H)2{1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[6]C[6]2H)(H){4|C<4>,6|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.7775	0.030	2	109.7775	0.001	2	109.7775	0.001	2	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[4,6,6]-4:H-1:H-1:	N[5,5]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]N[5,5]H)(C[4,6,6]C[4,6]2H)(H)2	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[6,6]C[6,6]N[5,5]H)(C[4,6,6]C[4,6]2H)(H)2{1|B<4>,3|H<1>,6|C<4>}	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H){2|C<3>,2|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	108.8722	0.073	6	108.8770	0.005	7	108.8770	0.005	7	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[4,6,6]-4:H-1:H-1:	N[5,5]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]N[5,5]H)(C[4,6,6]C[4,6]2H)(H)2	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[6,6]C[6,6]N[5,5]H)(C[4,6,6]C[4,6]2H)(H)2{1|B<4>,3|H<1>,6|C<4>}	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H){2|C<4>,2|O<2>,3|C<3>,6|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	108.9060	0.000	1	108.8770	0.005	7	108.8770	0.005	7	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:Br-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(Br)(H)	C[6,6](C[6,6]C[6,6]BrH)(C[6]C[6]BrH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2Br)	C[6,6](C[6,6]C[6]2H)2(Br)(H){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]BrH)(C[6]C[6]BrH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]2Br)	112.3760	0.000	1	112.3760	0.000	1	112.3760	0.000	1	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CHHN)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)2{2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CHHN)(H){3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2H)	108.2464	1.775	14	108.2464	3.152	14	108.4396	1.066	41	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CHHS)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)2{2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CHHS)(H){3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2H)	108.6047	0.138	4	108.6047	0.019	4	108.4396	1.066	41	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CSnHH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)2{2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CSnHH)(H){3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2H)	108.5285	0.191	23	108.5285	0.036	23	108.4396	1.066	41	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)2(H)2	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5,6]C[6]H)2(H)2{2|C<4>,4|H<1>,4|O<2>}	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	H(C[6,6]C[6,6]2H)	109.8623	0.024	3	109.8623	0.001	3	110.2080	0.494	9	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[5,6]C[6]H)(H)2	C[6,6](C[5,6]C[5a,6]S[5]2)(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[5,6]C[6]H)(H)2{1|H<1>,2|C<4>,2|S<2>,3|C<3>}	C[6,6](C[5,6]C[5a,6]S[5]2)(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|N<3>}	H(C[6,6]C[6,6]2H)	110.3370	0.013	2	110.3370	0.000	2	110.2080	0.494	9	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[5,6]C[6]H)(H)2	C[6,6](C[5,6]C[5a,6]S[5]2)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[5,6]C[6]H)(H)2{1|C<4>,2|H<1>,2|S<2>,3|C<3>}	C[6,6](C[5,6]C[5a,6]S[5]2)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|N<3>}	H(C[6,6]C[6,6]2H)	110.4027	1.066	4	110.4027	1.137	4	110.2080	0.494	9	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(H)2{1|C<4>,2|N<3>,7|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	110.3330	0.011	2	110.3330	0.000	2	110.3994	0.865	169	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	C[6,6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]2H)	110.7570	0.451	2	110.1025	1.581	4	110.3994	0.865	169	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	C[6,6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{1|C<3>,1|C<4>,2|N<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]2H)	109.4480	1.681	2	110.1025	1.581	4	110.3994	0.865	169	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]CH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{1|N<3>,1|N<4>,3|C<4>,5|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]CH)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]2H)	110.3715	0.030	2	110.5040	0.024	4	110.3994	0.865	169	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]CH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{2|N<4>,3|C<4>,5|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]CH)(H){5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2H)	110.6365	0.012	2	110.5040	0.024	4	110.3994	0.865	169	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{1|N<3>,1|N<4>,2|C<4>,6|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2H)	110.2791	0.064	21	110.4049	0.927	152	110.3994	0.865	169	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{1|N<3>,1|N<4>,3|C<4>,5|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]2H)	110.3470	0.024	2	110.4049	0.927	152	110.3994	0.865	169	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{1|O<1>,2|N<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]2H)	110.3645	0.021	2	110.4049	0.927	152	110.3994	0.865	169	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{2|C<4>,2|N<3>,6|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){3|H<1>,5|C<4>}	H(C[6,6]C[6,6]2H)	110.1185	2.876	4	110.4049	0.927	152	110.3994	0.865	169	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{2|C<4>,2|N<4>,6|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Cu<4>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]2H)	110.3949	0.518	10	110.4049	0.927	152	110.3994	0.865	169	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{2|C<4>,2|N<4>,6|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Cu<5>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]2H)	110.0768	0.190	6	110.4049	0.927	152	110.3994	0.865	169	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{2|C<4>,2|N<4>,6|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Hg<4>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]2H)	110.3663	0.010	3	110.4049	0.927	152	110.3994	0.865	169	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{2|C<4>,2|N<4>,6|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Li<4>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]2H)	110.4597	0.202	23	110.4049	0.927	152	110.3994	0.865	169	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{2|C<4>,2|N<4>,6|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Ni<4>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]2H)	110.3657	0.041	4	110.4049	0.927	152	110.3994	0.865	169	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{2|C<4>,2|N<4>,6|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Pd<4>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]2H)	110.4165	1.409	55	110.4049	0.927	152	110.3994	0.865	169	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{2|C<4>,2|N<4>,6|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Rh<6>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]2H)	110.6593	0.060	3	110.4049	0.927	152	110.3994	0.865	169	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{2|C<4>,2|N<4>,6|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Zn<4>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]2H)	110.6518	0.397	13	110.4049	0.927	152	110.3994	0.865	169	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{2|C<4>,2|N<4>,6|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2H)	110.4075	0.041	4	110.4049	0.927	152	110.3994	0.865	169	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{2|N<4>,3|C<4>,5|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2H)	110.6240	0.042	2	110.4049	0.927	152	110.3994	0.865	169	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6a]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|N<4>,5|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6a]HH)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2H)	110.4244	0.135	5	110.4104	0.015	7	110.3994	0.865	169	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6a]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6a]HH)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	110.3755	0.110	2	110.4104	0.015	7	110.3994	0.865	169	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6]C[6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[5,6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5,5,6]C[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[5,6]HH)(C[6]C[6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]2H)	110.0320	0.020	2	110.0320	0.000	2	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2H)	109.9875	0.035	2	109.9875	0.001	2	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(C[6]C[6]CC)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(H)2{3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6,6]C[6,6]2H)	109.6265	0.015	2	109.6265	0.000	2	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]CC)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|H<1>,1|N<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]CC)(H){1|N<3>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]2H)	109.6610	0.034	2	110.6303	1.454	4	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]CC)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]CC)(H){1|N<3>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]2H)	111.5995	0.776	2	110.6303	1.454	4	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	H(C[6,6]C[6,6]2H)	110.0355	0.045	2	110.0355	0.002	2	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(C[6]N[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|N<3>,1|N<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]2H)	110.5685	0.053	4	110.6125	0.446	8	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(C[6]N[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,2|N<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(C[6]N[6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]2H)	110.9970	1.622	2	110.6125	0.446	8	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(C[6]N[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(H)2{1|C<4>,2|N<3>,7|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(C[6]N[6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]2H)	110.3160	0.008	2	110.6125	0.446	8	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(C[6]C[6,6a]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]2H)(H)2{3|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(C[6]C[6,6a]HH)(H){1|H<1>,4|C<3>}	H(C[6,6]C[6,6]2H)	109.8545	0.043	2	109.8545	0.002	2	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6a]CH)(C[6]N[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6a]CH)(C[6]N[6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]2H)	110.3390	0.045	2	110.3390	0.002	2	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6a]HH)(C[6]N[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|N<3>,1|N<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6a]HH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]2H)	110.6082	0.833	33	110.6082	0.693	33	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]B[6,6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)2{1|B<4>,1|C<3>,7|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]B[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|C<4>}	H(C[6,6]C[6,6]2H)	109.4050	0.048	4	109.4050	0.002	4	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[3,6]HH)2(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)2{2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[3,6]HH)2(H){7|C<4>}	H(C[6,6]C[6,6]2H)	109.8790	0.008	2	109.8790	0.000	2	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]B[5]C[6]H)(C[6]C[6]CC)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|B<3>,1|H<1>,1|O<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6]B[5]C[6]H)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	H(C[6,6]C[6,6]2H)	109.9210	0.000	1	109.9210	0.000	1	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]B[6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|B<4>,1|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]B[6]HH)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]2H)	109.5049	1.856	8	109.5049	3.446	8	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[6,6]C[6,6]2H)	109.8740	0.025	2	109.8740	0.001	2	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[6,6]C[6,6]2H)	109.8630	0.007	2	109.8630	0.000	2	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|C<4>,2|C<3>,7|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6,6]C[6,6]2H)	109.5415	0.043	2	109.8014	0.060	5	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2H)	109.9747	0.082	3	109.8014	0.060	5	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HO)(H){2|C<4>,5|H<1>}	H(C[6,6]C[6,6]2H)	109.4800	0.050	4	109.4800	0.002	4	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]O[6]CH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]O[6]CH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6,6]C[6,6]2H)	110.1660	0.047	2	110.1660	0.002	2	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CO)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	109.7005	0.035	2	109.7005	0.001	2	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{2|C<4>,2|O<2>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,5|H<1>}	H(C[6,6]C[6,6]2H)	109.9020	0.035	4	109.9020	0.001	4	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]CC)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]CC)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	110.0670	0.034	2	110.1295	0.006	4	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]CC)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]CC)(H){2|C<3>,3|H<1>}	H(C[6,6]C[6,6]2H)	110.1920	0.017	2	110.1295	0.006	4	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	110.0840	0.072	6	110.0840	0.005	6	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]O[6]CC)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6,6]C[6,6]2H)	110.1600	0.037	2	110.1600	0.001	2	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|C<3>,1|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]2H)	107.8377	0.242	4	109.8333	0.271	91	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|C<3>,1|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]2H)	109.7455	0.082	4	109.8333	0.271	91	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|C<4>,2|C<3>,7|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6,6]C[6,6]2H)	109.5075	0.012	2	109.8333	0.271	91	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	109.8207	0.105	15	109.8333	0.271	91	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]2H)	109.8486	0.133	7	109.8333	0.271	91	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	109.9679	0.070	15	109.8333	0.271	91	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|N<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	110.1705	1.402	4	109.8333	0.271	91	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]2H)	109.9657	0.036	3	109.8333	0.271	91	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	109.9406	0.067	20	109.8333	0.271	91	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){3|H<1>,4|C<4>}	H(C[6,6]C[6,6]2H)	110.0472	0.043	13	109.8333	0.271	91	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2H)	109.9282	0.097	4	109.8333	0.271	91	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RhH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|Rh<6>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RhH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6,6]C[6,6]2H)	111.3185	1.306	2	110.1222	9.683	17	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RhH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|Rh<6>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RhH)(C[6]C[6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]2H)	109.8792	3.869	11	110.1222	9.683	17	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RhH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|Rh<6>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RhH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	110.1923	0.058	4	110.1222	9.683	17	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuC)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|Ru<10>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuC)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	110.1125	0.006	2	110.2023	0.013	16	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuC)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|Ru<10>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuC)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	110.0677	0.049	4	110.2023	0.013	16	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuC)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|Ru<8>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuC)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	110.2903	0.074	7	110.2023	0.013	16	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuC)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|Ru<8>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuC)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	110.2363	0.056	3	110.2023	0.013	16	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|Ru<10>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	110.1195	0.044	4	110.2724	0.015	26	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|Ru<10>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	110.0390	0.062	2	110.2724	0.015	26	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|Ru<8>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	110.3604	0.059	8	110.2724	0.015	26	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|Ru<8>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	110.2954	0.086	8	110.2724	0.015	26	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|Ru<9>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	110.3200	0.028	4	110.2724	0.015	26	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]2H)	111.5155	0.653	4	110.6236	2.563	11	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]2H)	110.1140	1.796	7	110.6236	2.563	11	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6]H)(C[6]C[6a]S[6]H)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|N<3>,1|S<2>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6]H)(C[6]C[6a]S[6]H)(H){1|H<1>,2|C<4>,5|C<3>}	H(C[6,6]C[6,6]2H)	109.6680	0.042	7	109.6680	0.002	7	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]N[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|C<4>,1|N<3>,1|N<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]N[6]HH)(H){1|H<1>,5|C<4>}	H(C[6,6]C[6,6]2H)	110.6148	0.055	4	110.5495	0.012	6	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]N[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|C<4>,2|N<3>,7|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]N[6]HH)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[6,6]C[6,6]2H)	110.4190	0.025	2	110.5495	0.012	6	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)(C[6]S[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|N<3>,1|S<3>,8|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)(C[6]S[6]HH)(H){1|H<1>,1|O<1>,3|C<4>}	H(C[6,6]C[6,6]2H)	110.3435	1.918	4	110.3435	3.678	4	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|C<4>,1|N<3>,1|N<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H){1|H<1>,5|C<4>}	H(C[6,6]C[6,6]2H)	110.6385	0.033	4	110.4318	0.023	36	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|C<4>,2|N<3>,7|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H){1|C<3>,1|H<1>,3|C<4>}	H(C[6,6]C[6,6]2H)	110.4065	0.029	2	110.4318	0.023	36	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|N<3>,1|N<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H){2|H<1>,4|C<4>}	H(C[6,6]C[6,6]2H)	110.4193	0.028	3	110.4318	0.023	36	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{2|N<3>,8|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H){1|C<3>,1|H<1>,3|C<4>}	H(C[6,6]C[6,6]2H)	110.3525	0.032	4	110.4318	0.023	36	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{2|N<3>,8|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H){1|H<1>,4|C<4>}	H(C[6,6]C[6,6]2H)	110.7155	0.044	4	110.4318	0.023	36	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{2|N<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H){1|Cu<4>,1|H<1>,4|C<4>}	H(C[6,6]C[6,6]2H)	110.4950	0.038	4	110.4318	0.023	36	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{2|N<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H){1|Pt<4>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	110.3111	0.040	15	110.4318	0.023	36	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(H)2{2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6,6]C[6,6]2H)	110.0390	0.000	1	110.0390	0.000	1	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]O)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]N[6]O)(C[6,6]C[6]2H)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6,6]C[6,6]2H)	110.0050	0.000	1	110.0050	0.000	1	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]O)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]N[6]O)(C[6,6]C[6]2H)(H)2{1|C<3>,1|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(C[6,6]C[6,6]2H)	110.1400	0.036	4	110.1400	0.001	4	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6,6]C[6,6]2H)	110.1135	0.042	2	109.7735	0.190	4	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]2H)	109.4335	0.327	2	109.7735	0.190	4	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]P[6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]P[6]H)(C[6,6]C[6]2H)(H)2{1|Se<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<4>,1|P<4>,5|H<1>}	H(C[6,6]C[6,6]2H)	109.2915	0.078	2	109.2915	0.006	2	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]S[6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CN)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]S[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|S<2>,3|H<1>}	H(C[6,6]C[6,6]2H)	109.3585	0.016	2	109.3585	0.000	2	110.1100	0.940	333	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:P[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]P[6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(P[6]C[6]SeC)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]P[6]H)(C[6,6]C[6]2H)(H)2{1|Se<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(P[6]C[6]SeC)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	H(C[6,6]C[6,6]2H)	109.1590	0.037	2	109.1590	0.001	2	109.1590	0.001	2	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:Si[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6a]Si[6]C[6])(C[6,6]Si[6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]HH)(Si[6]O[6]CC)(C[6]N[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6a]Si[6]C[6])(C[6,6]Si[6]C[6]H)(H)2{1|N<3>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(Si[6]O[6]CC)(C[6]N[6]HH)(H){1|Si<4>,1|C<3>,1|C<4>,1|S<4>}	H(C[6,6]C[6,6]2H)	109.0405	0.043	2	109.0405	0.002	2	109.3520	0.060	6	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:Si[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]Si[6]C[6]H)2(H)2	C[6,6](C[6,6]C[6,6]HH)(Si[6]O[6]CC)(C[6]N[6]HH)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]Si[6]C[6]H)2(H)2{1|N<3>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(Si[6]O[6]CC)(C[6]N[6]HH)(H){1|Si<4>,1|C<4>,1|H<1>,1|S<4>}	H(C[6,6]C[6,6]2H)	109.5078	0.041	4	109.5078	0.002	4	109.3520	0.060	6	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6]N[6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6]C[5,5,6]ClH)(C[6,6]C[6,6]HH)(C[6]C[6]Cl2)(H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5,5,6]N[6]H)(C[6,6]C[6]2H)(H)2{3|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6,6](C[6]C[5,5,6]ClH)(C[6,6]C[6,6]HH)(C[6]C[6]Cl2)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[6,6]C[6,6]2H)	109.9530	0.000	1	109.9530	0.000	1	109.9530	0.000	1	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2B)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCHH)(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2B)(H)2{3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCHH)(H){1|B<4>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.1268	0.109	4	109.1268	0.012	4	109.3942	0.179	6	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CH3)(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CH3)(H){2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.9290	0.007	2	109.9290	0.000	2	109.3942	0.179	6	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:N-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HN)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(NH3)(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HN)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(NH3)(H){2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.5415	0.115	12	109.5415	0.013	12	109.5415	0.013	12	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]CH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(CH3)(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]CH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(CH3)(H){2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	110.0285	0.039	2	110.0285	0.002	2	110.0435	0.006	4	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]CH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HH)(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]CH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HH)(H){2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	110.0585	0.129	2	110.0585	0.017	2	110.0435	0.006	4	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	N[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](N[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(CCHH)(H)	H(C[6,6]C[6,6]N[4x6]H)	C[6,6](N[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(H)2{4|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(CCHH)(H){3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[4x6]H)	109.5090	0.040	2	109.5090	0.002	2	109.5090	0.002	2	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	N[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](N[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(H)2	C[6,6](C[6,6]N[5,3x6]HH)(C[3x6]C[6,6]2H)(CCHH)(H)	H(C[6,6]N[5,3x6]C[6,6]H)	C[6,6](N[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(H)2{4|C<4>,6|H<1>}	C[6,6](C[6,6]N[5,3x6]HH)(C[3x6]C[6,6]2H)(CCHH)(H){3|C<4>,4|H<1>}	H(C[6,6]N[5,3x6]C[6,6]H)	109.6365	0.057	2	109.6365	0.003	2	109.6365	0.003	2	109.9223	1.073	868	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CO)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CH3)(OH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CO)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CH3)(OH){1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	109.1385	0.034	4	109.1866	0.003	9	109.1234	0.012	13	109.2323	0.368	21	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CO)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CH3)(OH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CO)(H)2{4|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CH3)(OH){3|C<4>,4|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.2250	0.012	5	109.1866	0.003	9	109.1234	0.012	13	109.2323	0.368	21	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CO)(H)2	C[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[4x6]HH)(CH3)(OC)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CO)(H)2{1|O<1>,1|S<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[4x6]HH)(CH3)(OC){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	108.9813	0.047	4	108.9813	0.002	4	109.1234	0.012	13	109.2323	0.368	21	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[3x6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6])(C[6,6]C[3x6]CO)(H)2	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(CH3)(OH)	H(C[6,6]C[5,4x6]C[6,6]H)	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6])(C[6,6]C[3x6]CO)(H)2{5|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(CH3)(OH){1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[5,4x6]C[6,6]H)	108.8995	0.039	2	108.8995	0.002	2	108.8995	0.002	2	109.2323	0.368	21	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]2O)(H)2	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]HH)(C[6]O[6]HH)(OH)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]2O)(H)2{1|O<1>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]HH)(C[6]O[6]HH)(OH){1|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[5,6,6]C[6,6]H)	110.3445	0.008	2	110.3445	0.000	2	110.3445	0.000	2	109.2323	0.368	21	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:C-4:N-2:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]CN)(C[6,6]C[4,6,6]HH)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CCHH)(NC)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[4,6,6]CN)(C[6,6]C[4,6,6]HH)(H)2{2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CCHH)(NC){3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2H)	108.1750	0.069	2	108.1750	0.005	2	108.1750	0.005	2	109.2323	0.368	21	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:P[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(P[6,6]C[6]2S)(H)2	C[6,6](C[6,6]P[6,6]HH)(C[6]C[6]HH)2(OH)	H(C[6,6]C[6,6]P[6,6]H)	C[6,6](C[6,6]C[6]2O)(P[6,6]C[6]2S)(H)2{2|C<4>,8|H<1>}	C[6,6](C[6,6]P[6,6]HH)(C[6]C[6]HH)2(OH){1|S<1>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]P[6,6]H)	110.2180	0.436	2	110.2180	0.190	2	110.2180	0.190	2	109.2323	0.368	21	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CC)(H)2	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]HH)(CH3)(CCH)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CC)(H)2{1|Cl<1>,1|H<1>,2|C<3>,2|O<2>}	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]HH)(CH3)(CCH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.2070	0.007	2	109.2070	0.000	2	110.1268	1.018	8	109.5538	2.228	16	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CC)(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(CCCH)(COO)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CC)(H)2{1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(CCCH)(COO){1|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.4530	0.006	2	109.4530	0.000	2	110.1268	1.018	8	109.5538	2.228	16	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(COO)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(H)2{1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(COO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	111.3225	0.285	2	111.3225	0.081	2	110.1268	1.018	8	109.5538	2.228	16	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]N[5a,6,6]C[5,6,6]C)(C[6,6]C[3x6]CC)(H)2	C[6,6](C[3x6]N[5a,6,6]C[5,6,6]C)(C[6,6]C[3x6]HH)(CH3)(COO)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]N[5a,6,6]C[5,6,6]C)(C[6,6]C[3x6]CC)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6,6](C[3x6]N[5a,6,6]C[5,6,6]C)(C[6,6]C[3x6]HH)(CH3)(COO){1|N<3>,2|C<3>,2|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	110.5245	1.126	2	110.5245	1.269	2	110.1268	1.018	8	109.5538	2.228	16	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[5,5,3x6]-4:C[6,6]-4:C-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,3x6]CC)(C[3x6]C[6,6]2H)(H)2	C[6,6](C[5,5,3x6]N[5,6,6]2C[5,5])(C[6,6]C[3x6]HH)(CCHH)(CCH)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,5,3x6]CC)(C[3x6]C[6,6]2H)(H)2{1|C<4>,2|N<3>,2|O<1>}	C[6,6](C[5,5,3x6]N[5,6,6]2C[5,5])(C[6,6]C[3x6]HH)(CCHH)(CCH){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	109.3555	0.054	2	109.3555	0.003	2	109.3555	0.003	2	109.5538	2.228	16	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:C-4:N-3:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]CN)(C[6,6]C[4,6,6]HH)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CCHH)(NCH)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[4,6,6]CN)(C[6,6]C[4,6,6]HH)(H)2{2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CCHH)(NCH){3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2H)	108.2145	0.067	2	108.2145	0.005	2	108.2145	0.005	2	109.5538	2.228	16	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]O)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2C)2(H)2{1|C<4>,1|N<3>,8|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]O){1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[6,6]2H)	109.1767	2.544	4	109.1767	6.474	4	109.1767	6.474	4	109.5538	2.228	16	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]2C)(C[6,6]C[3x6]CC)(H)2	C[6,6](C[3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(CH3)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]2C)(C[6,6]C[3x6]CC)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(CH3)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.0310	0.031	2	109.0310	0.001	2	109.7002	0.118	24	109.6189	0.144	38	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CC)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CC)(H)2{2|C<2>,2|C<3>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>}	H(C[6,6]C[3x6]C[6,6]H)	109.4083	0.022	4	109.4083	0.001	4	109.7002	0.118	24	109.6189	0.144	38	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[3x6]CC)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CH3)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[3x6]CC)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CH3)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.4175	0.026	2	109.4175	0.001	2	109.7002	0.118	24	109.6189	0.144	38	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CC)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CH3)2	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CC)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CH3)2{1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8923	0.220	16	109.8923	0.048	16	109.7002	0.118	24	109.6189	0.144	38	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:P-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]2P)(H)2	C[6,6](C[6,6]C[3x6]HH)(C[6]B[6]HH)(C[6]C[6]HH)(PC[6a]3)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]2P)(H)2{1|B<4>,2|C<3>,2|C<4>,8|H<1>}	C[6,6](C[6,6]C[3x6]HH)(C[6]B[6]HH)(C[6]C[6]HH)(PC[6a]3){3|C<3>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.1235	0.006	2	109.1235	0.000	2	109.1235	0.000	2	109.6189	0.144	38	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:Br-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6a]C[6]O[6])(C[6,6]C[6]2C)(Br)(H)	C[6,6](C[6,6]C[6,6]BrH)(C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)	H(C[6,6]C[6,6]2Br)	C[6,6](C[6,6]C[6a]C[6]O[6])(C[6,6]C[6]2C)(Br)(H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]BrH)(C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>,1|S<4>,2|H<1>}	H(C[6,6]C[6,6]2Br)	108.3300	0.000	1	108.3300	0.000	1	108.3300	0.000	1	109.6189	0.144	38	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[5,6]O[6]H)(H)2	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6]C[6,6]HH)(C[6]C[6]CH)(CH3)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[5,6]O[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6]C[6,6]HH)(C[6]C[6]CH)(CH3){1|O<1>,2|H<1>,3|C<4>,3|O<2>}	H(C[6,6]C[6,6]2H)	109.7635	0.009	2	109.7635	0.000	2	109.7635	0.000	2	109.6189	0.144	38	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[3,6]HH)2(CH3)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)2{2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[3,6]HH)2(CH3){1|H<1>,6|C<4>}	H(C[6,6]C[6,6]2H)	109.8700	0.006	2	109.8700	0.000	2	109.6231	0.032	9	109.6189	0.144	38	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)2{1|N<3>,2|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<4>}	H(C[6,6]C[6,6]2H)	109.7320	0.031	2	109.7320	0.001	2	109.6231	0.032	9	109.6189	0.144	38	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2C)2(H)2{1|C<4>,1|N<3>,1|O<1>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[6,6]2H)	109.5270	0.007	2	109.4808	0.002	5	109.6231	0.032	9	109.6189	0.144	38	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)2(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2C)2(H)2{1|C<4>,1|N<3>,8|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|C<3>,5|C<4>}	H(C[6,6]C[6,6]2H)	109.4500	0.026	3	109.4808	0.002	5	109.6231	0.032	9	109.6189	0.144	38	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	3:3:4:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]H)(OH)(H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(H)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]H)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,4|C<3>}	H(C[6,6]C[6,6]2O)	110.0020	0.000	1	110.0020	0.000	1	109.8765	0.032	2	109.8765	0.032	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	3:3:4:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6a]2H)(OH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6,6]HO)(H)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6a]2H)(OH)(H){6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6,6]HO)(H){4|O<2>,5|C<3>}	H(C[6,6]C[6,6]2O)	109.7510	0.000	1	109.7510	0.000	1	109.8765	0.032	2	109.8765	0.032	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|N<2>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){2|H<1>,3|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.6770	0.000	1	108.6770	0.000	1	108.6770	0.000	1	108.9668	1.338	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[5a,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5a,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.2220	0.000	1	110.2220	0.000	1	110.2220	0.000	1	108.9668	1.338	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	107.0490	0.000	1	108.8509	1.710	7	108.8509	1.710	7	108.9668	1.338	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	109.6143	0.214	3	108.8509	1.710	7	108.8509	1.710	7	108.9668	1.338	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	106.8470	0.000	1	108.8509	1.710	7	108.8509	1.710	7	108.9668	1.338	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.5380	0.000	1	108.8509	1.710	7	108.8509	1.710	7	108.9668	1.338	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.6790	0.000	1	108.8509	1.710	7	108.8509	1.710	7	108.9668	1.338	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	N[5a,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[5a,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]N[5a,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.8130	0.000	1	108.8130	0.000	1	108.8130	0.000	1	108.9668	1.338	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]HH)(O[6]C[6,6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6]O)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]HH)(O[6]C[6,6])(H){1|C<4>,1|O<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6]O)(H){1|O<2>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	109.6640	0.406	2	109.6640	0.165	2	109.6640	0.165	2	109.6640	0.165	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	3:4:3:3:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:N-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(OH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6]C[6]H)(NCH)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(OH)(H){3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6]C[6]H)(NCH){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2O)	108.4590	0.000	1	108.4590	0.000	1	108.4590	0.000	1	108.4590	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(OH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6]C[6]CH)(H)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(OH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2O)	108.5455	1.165	2	108.5455	1.356	2	108.5455	1.356	2	109.7981	2.769	8	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6,6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6,6])(H){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.8990	0.000	1	108.8990	0.000	1	108.8990	0.000	1	109.7981	2.769	8	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|H<1>,1|N<4>,1|O<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(H){1|C<2>,3|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	112.8750	0.000	1	112.8750	0.000	1	110.7940	3.667	3	109.7981	2.769	8	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(H){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	110.4010	0.000	1	109.7535	0.839	2	110.7940	3.667	3	109.7981	2.769	8	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|N<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(H){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.1060	0.000	1	109.7535	0.839	2	110.7940	3.667	3	109.7981	2.769	8	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]FeH)(O[6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]FeH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]FeH)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]FeH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	111.3640	0.000	1	111.3640	0.000	1	110.0065	3.686	2	109.7981	2.769	8	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.6490	0.000	1	108.6490	0.000	1	110.0065	3.686	2	109.7981	2.769	8	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(O[6]C[6,6])(H)	C[6,6](C[6,6]C[6,6]O[6])(C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(OH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(O[6]C[6,6])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]O[6])(C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(OH){1|Cl<1>,1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.6250	0.232	2	109.6250	0.054	2	109.6250	0.054	2	109.3132	0.162	4	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[5,6]O)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(OH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]C[5,6]O)(C[6]C[6]HO)(O[6]C[6])(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(OH){1|O<2>,2|H<1>,3|C<4>,4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	109.0015	0.210	2	109.0015	0.044	2	109.0015	0.044	2	109.3132	0.162	4	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:2:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:N[6]-2:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(N[6]C[6])(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(N[6]C[6])(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.1950	0.054	2	109.1950	0.003	2	109.1950	0.003	2	109.1492	0.099	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:2:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]O[6]2H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(O[6]C[6])2(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]O[6]2H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(O[6]C[6])2(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.2270	0.427	3	109.2270	0.183	3	109.2270	0.183	3	109.1492	0.099	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:2:2:1:	4:	C[6,6]-4:C[6]-4:S[6]-2:H-1:	C[6,6]-4:O[6]-2:S[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]O[6]S[6]H)(C[6]C[6]HO)(S[6]C[6])(H)	C[6,6](C[6,6]C[6]S[6]H)(O[6]C[6])(S[6]C[6])(H)	H(C[6,6]C[6,6]C[6]S[6])	C[6,6](C[6,6]O[6]S[6]H)(C[6]C[6]HO)(S[6]C[6])(H){1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]S[6]H)(O[6]C[6])(S[6]C[6])(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]S[6])	108.8240	0.000	1	108.8240	0.000	1	108.8240	0.000	1	109.1492	0.099	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:S[6]-2:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]N[5,6,6]C[5,6]H)(C[6,6]C[6]S[6]H)(OH)(H)	C[6,6](C[6,6]C[5,6,6]HO)(S[6]C[5,6,6])(C[6]C[6]HH)(H)	H(C[6,6]C[5,6,6]C[6,6]O)	C[6,6](C[5,6,6]N[5,6,6]C[5,6]H)(C[6,6]C[6]S[6]H)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6,6]HO)(S[6]C[5,6,6])(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[6,6]C[5,6,6]C[6,6]O)	109.8768	0.377	5	109.8768	0.142	5	109.8768	0.142	5	109.4080	0.744	7	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[5,6,6]O[6]H)(O[6]C[5,6,6])(C[6]C[6]HH)(H)	H(C[6,6]C[5,6,6]C[6,6]O[6])	C[6,6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]O[6]H)(O[6]C[5,6,6])(C[6]C[6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6,6]O[6])	108.2360	0.218	2	108.2360	0.047	2	108.2360	0.047	2	109.4080	0.744	7	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:2:4:4:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(OH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]HO)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]2O)	108.5355	1.152	2	108.5355	1.327	2	108.5355	1.327	2	108.5355	1.327	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:3:1:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H)	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H){2|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	109.5810	0.062	2	109.5810	0.004	2	109.5810	0.004	2	109.5810	0.004	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){2|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[5,6]C[6,6]O[6])	108.5230	0.000	1	108.5230	0.000	1	108.5230	0.000	1	109.1170	0.871	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.6500	0.000	1	108.6500	0.000	1	109.1041	1.145	7	109.1170	0.871	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,1|O<3>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]H)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.9510	0.000	1	108.9510	0.000	1	109.1041	1.145	7	109.1170	0.871	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.7135	0.514	2	109.7677	0.141	3	109.1041	1.145	7	109.1170	0.871	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.8760	0.000	1	109.7677	0.141	3	109.1041	1.145	7	109.1170	0.871	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]Si[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]Si[6])(H){1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	106.9840	0.000	1	106.9840	0.000	1	109.1041	1.145	7	109.1170	0.871	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]N)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]N)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.8410	0.000	1	109.8410	0.000	1	109.1041	1.145	7	109.1170	0.871	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(N[6]C[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(N[6]C[6]H)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.8930	0.000	1	109.8930	0.000	1	109.8930	0.000	1	109.1170	0.871	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:S[6]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]O[6]S[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(S[6]C[6]O)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]O[6]S[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(S[6]C[6]O)(O[6]C[6])(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.0250	0.000	1	109.0250	0.000	1	109.0250	0.000	1	109.1170	0.871	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:3:2:2:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	C[6,6]-4:	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6a]2H)(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6a]C[6a]2)(O[6]C[6,6a])2	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6a]2H)(OH)(H){6|C<3>}	C[6,6](C[6,6]C[6,6]HO)(C[6a]C[6a]2)(O[6]C[6,6a])2{3|H<1>,6|C<3>}	H(C[6,6]C[6,6]2O)	109.8500	0.000	1	109.8500	0.000	1	109.8500	0.000	1	109.8500	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:3:2:4:	4:	C[5,6]-4:C[6,6]-4:S[6]-2:H-1:	C[6,6]-4:N[6]-3:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6]N[6]O[6]C)(S[6]C[6,6a])(H)	C[6,6](C[6,6]C[5,6]S[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(CCHH)	H(C[6,6]C[5,6]C[6,6]S[6])	C[6,6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6]N[6]O[6]C)(S[6]C[6,6a])(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6,6](C[6,6]C[5,6]S[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(CCHH){6|C<3>}	H(C[6,6]C[5,6]C[6,6]S[6])	105.8432	0.222	6	105.8432	0.049	6	105.8432	0.049	6	106.3937	2.163	7	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:3:2:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]O[6])(CH3)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]O[6])(CH3){1|C<3>,1|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.6970	0.000	1	109.6970	0.000	1	109.6970	0.000	1	106.3937	2.163	7	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:3:3:2:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:O[6]-2:	C[6,6]-4:	C[6,6](C[6,6]C[6a]C[6]O[6])(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6a]C[6]O[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){1|C<4>,3|C<3>,7|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.1990	0.000	1	109.1990	0.000	1	109.1990	0.000	1	109.1990	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2H)(O[6]C[6,6a])(H)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]HO)(H)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2H)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>,5|C<3>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]HO)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[6,6]C[5,6]C[6,6]O[6])	108.5830	0.000	1	108.5830	0.000	1	108.5830	0.000	1	108.8000	2.442	3	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-3:C[6]-4:Br-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6]O)(C[6,6]C[6]2Br)(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[3,6]O)(C[6]C[6]HO)(Br)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[3,6]C[6]O)(C[6,6]C[6]2Br)(OH)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[3,6]O)(C[6]C[6]HO)(Br){1|N<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]2O)	107.3570	0.000	1	107.3570	0.000	1	107.3570	0.000	1	108.8000	2.442	3	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HN)(H)	H(C[6,6]C[6,6]2O[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HN)(H){1|H<1>,1|O<1>,3|O<2>,4|C<4>}	H(C[6,6]C[6,6]2O[6])	110.4600	0.000	1	110.4600	0.000	1	110.4600	0.000	1	108.8000	2.442	3	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:3:4:2:	4:	C[6,6]-4:C[3x6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]O)(C[3x6]C[6,6]2O)(O[6]C[6])(H)	C[6,6](C[6,6]C[3x6]O[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HO)(OH)	H(C[6,6]C[3x6]C[6,6]O[6])	C[6,6](C[6,6]C[6,6]C[6]O)(C[3x6]C[6,6]2O)(O[6]C[6])(H){1|O<2>,2|O<1>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[3x6]O[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HO)(OH){1|C<3>,1|O<2>,6|C<4>}	H(C[6,6]C[3x6]C[6,6]O[6])	107.4615	0.405	2	107.4615	0.164	2	107.4615	0.164	2	107.4615	0.164	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5]C[6])(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5]C[6])(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	107.5330	0.000	1	107.5330	0.000	1	107.5330	0.000	1	107.5330	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(CN)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(CN)(H){1|C<3>,1|C<4>,1|W<7>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|W<7>,2|O<2>}	H(C[6,6]C[3x6]C[6,6]C)	108.0890	0.000	1	108.0890	0.000	1	108.6364	0.261	5	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(CN)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(CN)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|N<4>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.1940	0.000	1	108.1940	0.000	1	108.6364	0.261	5	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CN)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CN)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.9070	0.447	2	108.9070	0.200	2	108.6364	0.261	5	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]O)(C[6,6]C[3x6]HH)(CN)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6]O)(C[6,6]C[3x6]HH)(CN)(H){1|C<3>,1|C<4>,1|W<7>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|H<1>,1|N<2>,1|W<7>,2|O<2>}	H(C[6,6]C[3x6]C[6,6]C)	109.0850	0.000	1	109.0850	0.000	1	108.6364	0.261	5	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:N-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(NC)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(H)2	H(C[6,6]C[3x6]C[6,6]N)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(NC)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(H)2{1|N<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]N)	108.9620	0.262	2	108.9620	0.068	2	108.9620	0.068	2	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:Br-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(OH)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HO)(Br)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HO)(Br)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	109.2865	0.117	2	109.2865	0.014	2	109.2865	0.014	2	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(OC)(H)	C[6,6](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6]C[3x6]HO)(H)2	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(OC)(H){1|C<4>,1|O<2>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6]C[3x6]HO)(H)2{1|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]O)	110.1590	0.000	1	110.1590	0.000	1	109.3171	0.276	14	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(OC[5])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(H)2	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(OC[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(H)2{1|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]O)	110.2480	0.000	1	110.2480	0.000	1	109.3171	0.276	14	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(OC)(H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HO)(H)2	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HO)(H)2{1|N<3>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]O)	109.0740	0.129	2	109.0740	0.017	2	109.3171	0.276	14	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(OC[6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HO)(H)2	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(OC[6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HO)(H)2{1|N<3>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]O)	109.3920	0.000	1	109.3920	0.000	1	109.3171	0.276	14	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(OC)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(H)2	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	109.8305	0.114	2	109.8305	0.013	2	109.3171	0.276	14	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(OH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(H)2	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]O)	109.1770	0.000	1	109.1770	0.000	1	109.3171	0.276	14	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(OH)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(H)2	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6,6]C[3x6]C[6,6]O)	108.9423	0.307	6	108.9423	0.094	6	109.3171	0.276	14	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]O)(C[6,6]C[4x6]HH)(OH)(H)	C[6,6](C[4x6]C[5,3x6]C[6,6a]C[6,6])(C[6,6]C[3x6]HO)(H)2	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[5,6,6]O[6,6]O)(C[6,6]C[4x6]HH)(OH)(H){2|C<3>,3|C<4>}	C[6,6](C[4x6]C[5,3x6]C[6,6a]C[6,6])(C[6,6]C[3x6]HO)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	108.3560	0.000	1	108.3560	0.000	1	109.3130	1.832	2	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]HH)(OO)(H)	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[6,6]C[3x6]HO)(H)2	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]HH)(OO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[6,6]C[3x6]HO)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	110.2700	0.000	1	110.2700	0.000	1	109.3130	1.832	2	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(OH)(H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)2	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]O)	107.2320	0.000	1	108.0955	0.512	4	108.0955	0.512	4	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(OH)(H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)2	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)2{1|C<3>,1|N<4>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]O)	108.3833	0.520	3	108.0955	0.512	4	108.0955	0.512	4	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H)	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2C)(H)2	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	109.5490	0.360	4	109.5490	0.130	4	108.9072	0.462	48	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H)	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	108.8488	0.674	44	108.8488	0.454	44	108.9072	0.462	48	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:S-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(SC[6a])(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HS)(H)2	H(C[6,6]C[3x6]C[6,6]S)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(SC[6a])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HS)(H)2{1|Br<1>,1|H<1>,2|C<3>,2|O<2>}	H(C[6,6]C[3x6]C[6,6]S)	108.4780	0.000	1	108.4780	0.000	1	108.4780	0.000	1	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[4,5,6,6]-4:C[6,6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4,5,6,6]C[4,5,6]2C[5])(C[6,6]C[5,6,6]HH)(OC)(H)	C[6,6](C[5,6,6]C[4,5,6,6]C[5]H)(C[6,6]C[4,5,6,6]HO)(H)2	H(C[6,6]C[4,5,6,6]C[6,6]O)	C[6,6](C[4,5,6,6]C[4,5,6]2C[5])(C[6,6]C[5,6,6]HH)(OC)(H){1|O<1>,3|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[4,5,6,6]C[5]H)(C[6,6]C[4,5,6,6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[4,5,6,6]C[6,6]O)	110.6500	0.000	1	110.6500	0.000	1	110.6500	0.000	1	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OC)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2	H(C[6,6]C[4,6,6]C[6,6]O)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OC)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2{2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]O)	109.0821	0.743	7	109.0821	0.551	7	109.0221	0.587	11	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OC[6a])(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2	H(C[6,6]C[4,6,6]C[6,6]O)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OC[6a])(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2{2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]O)	109.1755	1.138	2	109.1755	1.294	2	109.0221	0.587	11	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2	H(C[6,6]C[4,6,6]C[6,6]O)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OH)(H){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2{2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]O)	109.3410	0.000	1	108.6585	0.932	2	109.0221	0.587	11	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2	H(C[6,6]C[4,6,6]C[6,6]O)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OH)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2{2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]O)	107.9760	0.000	1	108.6585	0.932	2	109.0221	0.587	11	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OC)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(H)2	H(C[6,6]C[4x6]C[6,6]O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OC)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[4x6]C[6,6]O)	109.3290	0.000	1	109.3290	0.000	1	109.3810	0.106	4	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OH)(H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]HO)(H)2	H(C[6,6]C[4x6]C[6,6]O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[4x6]C[6,6]O)	109.5420	0.000	1	109.5420	0.000	1	109.3810	0.106	4	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(H)2	H(C[6,6]C[4x6]C[6,6]O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[4x6]C[6,6]O)	109.7030	0.000	1	109.3265	0.284	2	109.3810	0.106	4	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(H)2	H(C[6,6]C[4x6]C[6,6]O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OH)(H){2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[4x6]C[6,6]O)	108.9500	0.000	1	109.3265	0.284	2	109.3810	0.106	4	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:O-2:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(OS)(H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HO)(H)2	H(C[6,6]C[4x6]C[6,6]O)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(OS)(H){1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HO)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[4x6]C[6,6]O)	110.1520	0.000	1	110.1520	0.000	1	110.1520	0.000	1	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[4,5,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(OH)(H)	C[6,6](C[4,6,6]C[4,5,6]C[4,6]H)(C[6,6]C[5,6,6]HO)(H)2	H(C[6,6]C[5,6,6]C[6,6]O)	C[6,6](C[5,6,6]C[4,5,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[4,6,6]C[4,5,6]C[4,6]H)(C[6,6]C[5,6,6]HO)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6,6]C[6,6]O)	108.6640	0.000	1	108.6640	0.000	1	106.5237	3.437	3	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[4,6,6]C[5]O[5])(C[6,6]C[4,6,6]HH)(OH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[5,6,6]HO)(H)2	H(C[6,6]C[5,6,6]C[6,6]O)	C[6,6](C[5,6,6]C[4,6,6]C[5]O[5])(C[6,6]C[4,6,6]HH)(OH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[5,6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[5,6,6]C[6,6]O)	105.4535	0.056	2	105.4535	0.003	2	106.5237	3.437	3	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[5,3x6]HH)(O[6]C[6])(H)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[5,6]O[6]H)(H)2	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[5,3x6]HH)(O[6]C[6])(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[5,6]O[6]H)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]O[6])	108.0610	0.000	1	108.0610	0.000	1	108.0610	0.000	1	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6,6]HH)(O[6]C[6])(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]O[6]H)(H)2	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6,6]HH)(O[6]C[6])(H){1|O<2>,2|O<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]O[6]H)(H)2{2|C<3>,2|H<1>,3|O<2>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]O[6])	107.4770	0.000	1	107.4770	0.000	1	107.4770	0.000	1	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,5,6]O[5]C)(C[6,6]C[6,6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[5,6]O[6]H)(H)2	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,5,6]O[5]C)(C[6,6]C[6,6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[5,6]O[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]O[6])	107.7990	0.000	1	107.7990	0.000	1	107.7990	0.000	1	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:N-2:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NC)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(H)2	H(C[6,6]C[6,6]2N)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NC)(H){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[6,6]2N)	107.9010	0.000	1	107.9010	0.000	1	107.9010	0.000	1	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(OC)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(H)2	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(OC)(H){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[6,6]2O)	108.5900	0.000	1	108.5900	0.000	1	108.6820	0.017	2	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(OO)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(H)2	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(OO)(H){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2O)	108.7740	0.000	1	108.7740	0.000	1	108.6820	0.017	2	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(O[6]C[6])(H)	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]O[6]H)(H)2	H(C[6,6]C[6,6]2O[6])	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(O[6]C[6])(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]O[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6,6]C[6,6]2O[6])	108.0530	0.000	1	108.0530	0.000	1	108.0530	0.000	1	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[3,5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,5,6,6]HH)(C[6]C[6]CO)(O[6]C[6])(H)	C[6,6](C[3,5,6,6]C[3,5,6]C[3,6]C[5])(C[6,6]C[6]O[6]H)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[3,5,6,6]HH)(C[6]C[6]CO)(O[6]C[6])(H){1|O<1>,5|C<4>}	C[6,6](C[3,5,6,6]C[3,5,6]C[3,6]C[5])(C[6,6]C[6]O[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	107.5310	0.000	1	107.5310	0.000	1	107.5310	0.000	1	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HO)(O[6]O[6])(H)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]O[6]H)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HO)(O[6]O[6])(H){2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]O[6]H)(H)2{1|C<3>,2|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	107.2592	0.044	5	107.2592	0.002	5	107.2592	0.002	5	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]CO)(O[6]C[6])(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]O[6]H)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]CO)(O[6]C[6])(H){1|O<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]O[6]H)(H)2{1|C<3>,2|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	107.2040	0.000	1	107.2040	0.000	1	107.2040	0.000	1	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5]C[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5]C[6]H)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	112.0290	0.000	1	112.0290	0.000	1	109.1485	2.557	22	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]H)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	108.0570	0.000	1	107.9165	0.039	2	109.1485	2.557	22	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]H)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(O[6]C[6])(H){1|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]H)(H)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	107.7760	0.000	1	107.9165	0.039	2	109.1485	2.557	22	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]H)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(O[6]C[6])(H){1|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]H)(H)2{1|S<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	108.1323	0.282	3	108.1323	0.080	3	109.1485	2.557	22	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.8900	0.000	1	110.4795	5.053	2	109.1485	2.557	22	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	112.0690	0.000	1	110.4795	5.053	2	109.1485	2.557	22	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)2(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)2(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.1965	2.071	6	109.2170	3.269	8	109.1485	2.557	22	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)2(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.2785	1.197	2	109.2170	3.269	8	109.1485	2.557	22	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)2(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)2(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.0520	1.224	6	109.0520	1.499	6	109.1485	2.557	22	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:S[6]-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(S[6]C[6])(H)	C[6,6](C[6,6]C[6]S[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]S[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(S[6]C[6])(H){1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]S[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]S[6])	106.8530	0.000	1	106.8530	0.000	1	106.8530	0.000	1	108.8155	1.149	135	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	B[3x6]-4:C[6,6]-4:C-2:H-1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]CH)(CN)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]CH)(CN)(H)	H(C[6,6]B[3x6]C[6,6]C)	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]CH)(CN)(H){3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]CH)(CN)(H){1|N<3>,2|C<3>,2|H<1>}	H(C[6,6]B[3x6]C[6,6]C)	108.4760	0.000	1	108.4760	0.000	1	108.4760	0.000	1	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[3,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6,6]C[3,6]C[6,6]O[6])	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[3,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,1|S<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3,6]C[6,6]O[6])	109.7780	0.000	1	109.7780	0.000	1	109.7780	0.000	1	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:C-2:H-1:	B[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]CH)(CN)(H)	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]CH)(CN)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]CH)(CN)(H){1|N<3>,2|C<3>,2|H<1>}	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]CH)(CN)(H){3|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]C)	107.5600	0.000	1	107.5600	0.000	1	107.5600	0.000	1	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CN)(H)	C[6,6](C[3x6]C[6,6,6a]2P)(C[6,6]C[3x6]CH)(CN)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CN)(H){1|P<2>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2P)(C[6,6]C[3x6]CH)(CN)(H){1|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]C)	108.0815	0.834	2	108.0815	0.695	2	108.7162	0.686	6	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2P)(C[6,6]C[3x6]CH)(CN)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CN)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6,6a]2P)(C[6,6]C[3x6]CH)(CN)(H){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CN)(H){1|P<2>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]C)	109.1615	0.564	2	109.1615	0.318	2	108.7162	0.686	6	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CN)(H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(CN)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CN)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(CN)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.1490	0.000	1	108.1490	0.000	1	108.7162	0.686	6	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(CN)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CN)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(CN)(H){1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CN)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	109.6620	0.000	1	109.6620	0.000	1	108.7162	0.686	6	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]N[6,6]C)(C[6,6]C[3x6]HO)(OH)(H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HO)(OH)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[3,6,6]N[6,6]C)(C[6,6]C[3x6]HO)(OH)(H){2|C<3>,2|C<4>,2|O<2>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HO)(OH)(H){1|N<3>,1|O<1>,2|C<4>}	H(C[6,6]C[3x6]C[6,6]O)	110.1540	0.000	1	110.1540	0.000	1	109.1844	1.255	14	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HO)(OH)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HO)(OH)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HO)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HO)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	108.1260	1.960	2	108.1260	3.842	2	109.1844	1.255	14	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HO)(OH)(H)	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HO)(OH)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HO)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HO)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	109.1110	0.996	2	109.1110	0.991	2	109.1844	1.255	14	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(OC)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(OC)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(OC)(H){1|Cl<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(OC)(H){1|Cl<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	109.6157	0.107	4	109.6157	0.011	4	109.1844	1.255	14	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HO)(OH)(H)	C[6,6](C[3x6]C[3,6,6]N[6,6]C)(C[6,6]C[3x6]HO)(OH)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HO)(OH)(H){1|N<3>,1|O<1>,2|C<4>}	C[6,6](C[3x6]C[3,6,6]N[6,6]C)(C[6,6]C[3x6]HO)(OH)(H){2|C<3>,2|C<4>,2|O<2>}	H(C[6,6]C[3x6]C[6,6]O)	107.4190	0.000	1	107.4190	0.000	1	109.1844	1.255	14	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[3x6]HO)(OH)(H)	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[3x6]HO)(OH)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[3x6]HO)(OH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[3x6]HO)(OH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]O)	108.6065	0.306	2	108.6065	0.094	2	109.1844	1.255	14	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(OC)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(OC)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(OC)(H){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6,6]C[3x6]C[6,6]O)	109.9150	0.000	1	110.4295	0.529	2	109.1844	1.255	14	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(OC)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(OC)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(OC)(H){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	110.9440	0.000	1	110.4295	0.529	2	109.1844	1.255	14	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HO)(OS)(H)	C[6,6](C[6,6]C[5,3x6]HO)(C[3x6]C[6,6]2C)(OH)(H)	H(C[6,6]C[5,3x6]C[6,6]O)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HO)(OS)(H){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,3x6]HO)(C[3x6]C[6,6]2C)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[5,3x6]C[6,6]O)	110.5920	0.000	1	110.5920	0.000	1	110.5920	0.000	1	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[5,5,6]C[5,5,6]O[5]2)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[5,5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6,6]C[5,5,6]C[6,6]O[6])	C[6,6](C[5,5,6]C[5,5,6]O[5]2)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[5,5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|H<1>,2|C<4>,3|O<2>}	H(C[6,6]C[5,5,6]C[6,6]O[6])	108.3180	0.000	2	107.9165	0.215	4	107.9165	0.215	4	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[5,5,6]C[5,5,6]O[5]2)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[5,5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6,6]C[5,5,6]C[6,6]O[6])	C[6,6](C[5,5,6]C[5,5,6]O[5]2)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[5,5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|H<1>,2|C<4>,3|O<2>}	H(C[6,6]C[5,5,6]C[6,6]O[6])	107.5150	0.000	2	107.9165	0.215	4	107.9165	0.215	4	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6,6]HO)(O[6]Si[6])(H)	C[6,6](C[6,6]C[5,6]O[6]H)2(OC)(H)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6,6]HO)(O[6]Si[6])(H){1|O<2>,1|S<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]O[6]H)2(OC)(H){1|Si<4>,1|C<4>,1|O<2>,1|S<3>,2|H<1>}	H(C[6,6]C[5,6]C[6,6]O[6])	108.5010	0.000	1	108.5010	0.000	1	109.4110	1.656	2	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[5,6]O[5,6]S[5]H)(C[6,6]C[6,6]HO)(O[6]Si[6])(H)	C[6,6](C[6,6]C[5,6]O[6]H)2(OC)(H)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]O[5,6]S[5]H)(C[6,6]C[6,6]HO)(O[6]Si[6])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[5,6]O[6]H)2(OC)(H){1|Si<4>,1|C<4>,1|O<2>,1|S<3>,2|H<1>}	H(C[6,6]C[5,6]C[6,6]O[6])	110.3210	0.000	1	110.3210	0.000	1	109.4110	1.656	2	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[3,5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]S[6])(H)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[3,6])(H)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[3,5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]S[6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[3,6])(H){1|O<2>,1|S<4>,2|C<4>,2|H<1>}	H(C[6,6]C[5,6]C[6,6]O[6])	108.8010	0.000	1	108.8010	0.000	1	109.4886	0.665	19	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]Si[6])(H)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[5,6])(H)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]Si[6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[5,6])(H){1|Si<4>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6,6]C[5,6]C[6,6]O[6])	107.3550	0.000	1	107.3550	0.000	1	109.4886	0.665	19	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[5,6]C[6,6]O[6])	108.6650	0.000	1	108.6650	0.000	1	109.4886	0.665	19	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){2|H<1>,3|O<2>,5|C<4>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6]C[6,6]O[6])	109.3303	0.213	3	109.3303	0.046	3	109.4886	0.665	19	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,2|N<2>,4|H<1>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[6,6]C[5,6]C[6,6]O[6])	109.3790	0.000	1	109.3790	0.000	1	109.4886	0.665	19	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|P<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[5,6]C[6,6]O[6])	109.5400	0.000	1	110.0134	0.284	9	109.4886	0.665	19	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	H(C[6,6]C[5,6]C[6,6]O[6])	109.6750	0.000	1	110.0134	0.284	9	109.4886	0.665	19	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[5,6]C[6,6]O[6])	110.2550	0.000	1	110.0134	0.284	9	109.4886	0.665	19	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[5,6]C[6,6]O[6])	109.8960	0.000	1	110.0134	0.284	9	109.4886	0.665	19	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	H(C[6,6]C[5,6]C[6,6]O[6])	109.4060	0.000	1	110.0134	0.284	9	109.4886	0.665	19	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){2|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[5,6]C[6,6]O[6])	110.8045	0.442	2	110.0134	0.284	9	109.4886	0.665	19	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){2|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[5,6]C[6,6]O[6])	109.8700	0.033	2	110.0134	0.284	9	109.4886	0.665	19	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]Si[6])(H)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]Si[6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|Si<4>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[5,6]C[6,6]O[6])	108.4100	0.000	1	108.4100	0.000	1	109.4886	0.665	19	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	H(C[6,6]C[5,6]C[6,6]O[6])	109.7810	0.000	2	109.7810	0.000	2	109.4886	0.665	19	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[3x6]-4:O-2:H-1:	C[5,3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]HO)(C[3x6]C[6,6]2C)(OH)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HO)(OS)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[6,6]C[5,3x6]HO)(C[3x6]C[6,6]2C)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HO)(OS)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	108.5270	0.000	1	108.5270	0.000	1	108.5270	0.000	1	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)2(OC)(H)	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6,6]HO)(O[6]Si[6])(H)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[5,6]O[6]H)2(OC)(H){1|Si<4>,1|C<4>,1|O<2>,1|S<3>,2|H<1>}	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6,6]HO)(O[6]Si[6])(H){1|O<2>,1|S<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]2O)	108.0030	0.000	1	108.0030	0.000	1	107.9865	0.001	2	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)2(OC)(H)	C[6,6](C[5,6]O[5,6]S[5]H)(C[6,6]C[6,6]HO)(O[6]Si[6])(H)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[5,6]O[6]H)2(OC)(H){1|Si<4>,1|C<4>,1|O<2>,1|S<3>,2|H<1>}	C[6,6](C[5,6]O[5,6]S[5]H)(C[6,6]C[6,6]HO)(O[6]Si[6])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[6,6]2O)	107.9700	0.000	1	107.9700	0.000	1	107.9865	0.001	2	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]H)(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6,6a]HO)(O[6]C[6,6a])(H)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]H)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6,6a]HO)(O[6]C[6,6a])(H){1|H<1>,1|O<2>,3|C<3>}	H(C[6,6]C[6,6]2O)	109.9910	0.000	1	109.9910	0.000	1	108.3863	1.646	12	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]O[6]H)(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]O[6]H)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6,6]C[6,6]2O)	110.8160	0.000	1	110.8160	0.000	1	108.3863	1.646	12	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)2(OC)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[6]O[6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(C[6,6]C[6,6]2O)	107.4620	1.345	4	107.4620	1.808	4	108.3863	1.646	12	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)2(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[6]O[6]H)2(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(C[6,6]C[6,6]2O)	108.3300	0.393	6	108.3300	0.155	6	108.3863	1.646	12	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]2O[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[6,6]2O[6])	110.4610	0.000	1	110.4610	0.000	1	109.7825	3.740	4	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]2O[6])	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[6,6]2O[6])	106.9100	0.000	1	106.9100	0.000	1	109.7825	3.740	4	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O[6])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6]2O[6])	C[6,6](C[6,6]C[6]2O[6])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){2|C<3>,2|H<1>,3|C<4>,4|O<2>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[6,6]C[6,6]2O[6])	110.8795	0.319	2	110.8795	0.102	2	109.7825	3.740	4	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:N[6]-2:H-1:	C[6,6]-4:C[6]-4:N[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[5]O[6]H)(N[6]C[6])(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]O[6]CH)(N[6]C[6])(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[5]O[6]H)(N[6]C[6])(H){1|C<4>,1|N<3>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]O[6]CH)(N[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	106.9890	0.000	1	106.9890	0.000	1	108.3306	0.746	8	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:N[6]-2:H-1:	C[6,6]-4:C[6]-4:N[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6])(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6])(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6])(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6])(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.2997	0.466	6	108.2997	0.217	6	108.3306	0.746	8	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:N[6]-2:H-1:	C[6,6]-4:C[6]-4:N[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]O[6]CH)(N[6]C[6])(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[5]O[6]H)(N[6]C[6])(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]O[6]CH)(N[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[5]O[6]H)(N[6]C[6])(H){1|C<4>,1|N<3>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.8580	0.000	1	109.8580	0.000	1	108.3306	0.746	8	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[3,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[3,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,1|S<3>,2|C<4>,2|H<1>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.5300	0.000	1	109.5300	0.000	1	109.5300	0.000	1	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6,6](C[5,5,6]C[5,5,6]O[5]2)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|H<1>,2|C<4>,3|O<2>}	C[6,6](C[5,5,6]C[5,5,6]O[5]2)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	111.0100	0.000	2	110.7565	0.086	4	110.7565	0.086	4	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6,6](C[5,5,6]C[5,5,6]O[5]2)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|H<1>,2|C<4>,3|O<2>}	C[6,6](C[5,5,6]C[5,5,6]O[5]2)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	110.5030	0.000	2	110.7565	0.086	4	110.7565	0.086	4	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){2|H<1>,3|O<2>,5|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.4407	0.140	3	109.4407	0.020	3	109.4015	0.285	19	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[3,6])(H)	C[6,6](C[5,6]C[3,5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]S[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[3,6])(H){1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[6,6](C[5,6]C[3,5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]S[6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.7460	0.000	1	108.7460	0.000	1	109.4015	0.285	19	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[5,6])(H)	C[6,6](C[5,6]C[5,5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]Si[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[5,6])(H){1|Si<4>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6,6](C[5,6]C[5,5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]Si[6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.3740	0.000	1	109.3740	0.000	1	109.4015	0.285	19	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.9130	0.000	1	109.9130	0.000	1	109.4015	0.285	19	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6,6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6,6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,2|N<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.0530	0.000	1	110.0530	0.000	1	109.4015	0.285	19	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.5310	0.000	1	109.3798	0.457	9	109.4015	0.285	19	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.0780	0.000	1	109.3798	0.457	9	109.4015	0.285	19	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.1700	0.000	1	109.3798	0.457	9	109.4015	0.285	19	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){2|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.5050	0.243	2	109.3798	0.457	9	109.4015	0.285	19	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|P<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.8080	0.000	1	109.3798	0.457	9	109.4015	0.285	19	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.0620	0.000	1	109.3798	0.457	9	109.4015	0.285	19	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){2|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.8795	0.063	2	109.3798	0.457	9	109.4015	0.285	19	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]Si[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|Si<4>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]Si[6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.8540	0.000	1	108.8540	0.000	1	109.4015	0.285	19	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6,6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	C[6,6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.4740	0.000	2	109.4740	0.000	2	109.4015	0.285	19	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6,6a]HO)(O[6]C[6,6a])(H)	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]H)(OH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6,6a]HO)(O[6]C[6,6a])(H){1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]H)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	108.4950	0.000	1	108.4950	0.000	1	109.7990	0.837	12	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]O[6]H)(OH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]O[6]H)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.5810	0.000	1	109.5810	0.000	1	109.7990	0.837	12	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)2(OC)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	110.4480	1.307	4	110.4480	1.709	4	109.7990	0.837	12	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)2(OH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)2(OH)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.6200	0.302	6	109.6200	0.091	6	109.7990	0.837	12	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.4660	0.000	1	109.4660	0.000	1	110.7672	1.670	4	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]2O[6])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6,6](C[6,6]C[6]2O[6])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){2|C<3>,2|H<1>,3|C<4>,4|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	110.7310	1.195	2	110.7310	1.428	2	110.7672	1.670	4	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	112.1410	0.000	1	112.1410	0.000	1	110.7672	1.670	4	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[3,6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[3,6]HO)(O[6]C[6])(H){1|H<1>,3|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HO)(O[6]C[6])(H){1|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	113.4980	0.000	1	113.4980	0.000	1	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[5,6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[5,6])(H){3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.2513	0.152	3	109.2513	0.023	3	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[5,6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HO)(O[6]C[6])(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[5,6])(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.1070	0.293	2	109.1070	0.086	2	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[5,6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[5,6])(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.7940	0.000	1	109.7940	0.000	1	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6,6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6,6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6,6])(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6,6])(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.0410	0.000	1	109.1300	0.016	2	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6,6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6,6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6,6])(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6,6])(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.2190	0.000	1	109.1300	0.016	2	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6])(H){1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(H){3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.1600	0.000	1	109.1090	0.005	2	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6])(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.0580	0.000	1	109.1090	0.005	2	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HN)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HN)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HN)(O[6]C[6])(H){1|N<2>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HN)(O[6]C[6])(H){1|N<2>,2|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.9084	0.545	8	108.9084	0.297	8	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HN)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HN)(O[6]C[6])(H){2|H<1>,3|C<4>,3|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H){1|N<2>,2|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.3600	0.054	2	109.3600	0.003	2	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HN)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H){1|N<2>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HN)(O[6]C[6])(H){2|H<1>,3|C<4>,3|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	108.9770	0.100	2	108.9770	0.010	2	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H){2|H<1>,3|C<4>,3|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H){2|H<1>,3|C<4>,3|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.1397	0.373	9	109.1397	0.139	9	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.4707	0.366	4	108.4707	0.134	4	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6,6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6,6])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.6520	0.092	4	109.6520	0.008	4	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]P[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6,6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]P[6])(H){1|C<4>,1|N<3>,1|O<1>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6,6])(H){1|C<4>,1|N<3>,1|O<2>,1|P<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.8530	0.000	1	108.8530	0.000	1	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(O[6]C[6,6a])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(O[6]C[6,6a])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(O[6]C[6,6a])(H){2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(O[6]C[6,6a])(H){2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	108.8290	0.834	2	108.8290	0.696	2	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.3715	0.629	2	109.3715	0.395	2	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]FF)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]FF)(O[6]C[6])(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,2|F<1>,2|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.0800	0.000	2	109.0800	0.000	2	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]FH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]FH)(O[6]C[6])(H){1|F<1>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|F<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.8325	0.149	2	109.8325	0.022	2	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[5,6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[5,6])(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(O[6]C[6])(H){2|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.0550	0.000	1	109.0550	0.000	1	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[5,6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[5,6])(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HO)(O[6]C[6])(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.3615	0.384	2	109.3615	0.147	2	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6])(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.1340	0.000	1	109.1365	0.000	2	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6])(H){1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.1390	0.000	1	109.1365	0.000	2	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.0493	0.230	4	109.0493	0.053	4	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.5060	0.352	2	109.5060	0.124	2	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]FF)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,2|F<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]FF)(O[6]C[6])(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.5540	0.000	2	109.5540	0.000	2	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.8300	1.128	4	108.3648	1.267	24	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|S<4>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	107.3042	1.483	4	108.3648	1.267	24	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	107.6040	0.151	2	108.3648	1.267	24	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|S<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|S<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.2697	0.186	6	108.3648	1.267	24	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|S<4>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	107.5105	1.012	4	108.3648	1.267	24	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.7075	0.043	2	108.3648	1.267	24	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.9670	0.359	2	108.3648	1.267	24	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.7645	0.298	2	109.5384	0.116	5	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.6540	0.000	1	109.5384	0.116	5	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.0320	0.000	1	109.5384	0.116	5	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.4770	0.000	1	109.5384	0.116	5	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H){2|H<1>,3|C<4>,3|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H){1|H<1>,1|N<2>,1|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.4260	0.393	2	109.4260	0.155	2	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H){1|C<2>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|N<2>,1|S<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.5670	0.000	1	109.3886	0.552	13	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.0190	0.922	2	109.3886	0.552	13	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.1860	0.000	1	109.3886	0.552	13	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<4>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|N<4>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.5287	0.768	7	109.3886	0.552	13	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.6450	0.000	1	109.3886	0.552	13	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H){1|C<4>,1|N<4>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<4>,1|O<2>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.9150	0.000	1	109.3886	0.552	13	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.2630	0.000	1	109.1966	0.118	5	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){2|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.0620	0.000	1	109.1966	0.118	5	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.2720	0.000	1	109.1966	0.118	5	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.1930	0.668	2	109.1966	0.118	5	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|S<2>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H){1|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.0130	0.000	1	108.7572	0.182	4	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){2|H<1>,3|C<4>,3|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H){1|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.6720	0.478	3	108.7572	0.182	4	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<2>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.8720	0.164	2	108.9521	0.946	55	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	107.7343	2.604	3	108.9521	0.946	55	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.3770	0.000	1	108.9521	0.946	55	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.2840	0.000	1	108.9521	0.946	55	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	108.8105	0.438	8	108.9521	0.946	55	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	108.9525	2.971	2	108.9521	0.946	55	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	107.6940	0.000	1	108.9521	0.946	55	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,1|S<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.6953	1.249	4	108.9521	0.946	55	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.3355	0.369	6	108.9521	0.946	55	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.5820	0.000	1	108.9521	0.946	55	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|O<2>,1|O<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.8553	0.457	9	108.9521	0.946	55	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.9270	0.000	1	108.9521	0.946	55	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.2550	0.000	1	108.9521	0.946	55	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.5967	0.193	3	108.9521	0.946	55	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	107.5250	1.635	2	108.9521	0.946	55	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.1587	0.365	8	108.9521	0.946	55	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.1545	0.233	2	108.9521	0.946	55	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HS)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|S<2>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HS)(O[6]C[6])(H){1|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.5310	0.000	1	108.5310	0.000	1	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HS)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HS)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,1|S<4>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.2755	0.384	2	110.2755	0.147	2	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]B[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]B[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]B[6])(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]B[6])(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.0180	0.091	2	109.0180	0.008	2	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H){1|H<1>,1|N<2>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H){2|H<1>,3|C<4>,3|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.3665	0.059	2	109.3665	0.003	2	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H){1|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|S<2>,2|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.8840	0.000	1	109.7687	0.033	4	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H){1|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){2|H<1>,3|C<4>,3|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.7303	0.203	3	109.7687	0.033	4	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[5,6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[5,6])(H){3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.8003	0.106	3	109.8003	0.011	3	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[5,6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[5,6])(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.7030	0.000	1	110.7030	0.000	1	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6,6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6,6])(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.3410	0.241	4	109.3410	0.058	4	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6,6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]P[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6,6])(H){1|C<4>,1|N<3>,1|O<2>,1|P<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]P[6])(H){1|C<4>,1|N<3>,1|O<1>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.6050	0.000	1	108.6050	0.000	1	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]FH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|F<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]FH)(O[6]C[6])(H){1|F<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.8540	0.653	2	109.8540	0.427	2	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<4>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H){1|C<4>,1|N<4>,1|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.1670	0.000	1	109.8334	0.286	13	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.5945	0.636	2	109.8334	0.286	13	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.8590	0.000	1	109.8334	0.286	13	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|N<2>,1|S<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H){1|C<2>,2|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.4790	0.000	1	109.8334	0.286	13	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.8700	0.000	1	109.8334	0.286	13	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|N<4>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<4>,1|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.1814	0.300	7	109.8334	0.286	13	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|O<2>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	107.9880	0.000	1	109.2159	1.405	55	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.1120	0.000	1	109.2159	1.405	55	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	107.3760	0.000	1	109.2159	1.405	55	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|O<2>,1|O<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.5853	1.363	9	109.2159	1.405	55	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.2313	0.715	3	109.2159	1.405	55	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.6730	0.000	1	109.2159	1.405	55	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.8730	0.000	1	109.2159	1.405	55	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,1|S<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.6820	1.018	4	109.2159	1.405	55	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.7810	0.000	1	109.2159	1.405	55	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.4665	0.558	2	109.2159	1.405	55	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<2>,2|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.6490	0.051	2	109.2159	1.405	55	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	107.2657	2.881	3	109.2159	1.405	55	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.3702	0.980	8	109.2159	1.405	55	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	107.3270	0.078	2	109.2159	1.405	55	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.4877	0.347	6	109.2159	1.405	55	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.6342	0.264	8	109.2159	1.405	55	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){2|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.8685	0.453	2	109.2159	1.405	55	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HS)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HS)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.2950	0.366	2	109.2950	0.134	2	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[3,6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HO)(O[6]C[6])(H){1|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[3,6]HO)(O[6]C[6])(H){1|H<1>,3|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	104.2810	0.000	1	104.2810	0.000	1	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HS)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HS)(O[6]C[6])(H){1|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|S<2>,2|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.4620	0.000	1	109.4620	0.000	1	109.1377	0.981	264	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:S[6]-2:H-1:	C[6,6]-4:C[6]-4:S[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)(S[6]C[6])(H)	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)(S[6]C[6])(H)	H(C[6,6]C[6,6]C[6]S[6])	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)(S[6]C[6])(H){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)(S[6]C[6])(H){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]S[6])	107.3775	1.005	2	107.3775	1.010	2	107.3775	1.010	2	109.1568	1.084	382	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:2:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]OO)(OH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(OC)2	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]OO)(OH)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(OC)2{1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	107.6825	0.561	2	107.6825	0.314	2	107.6825	0.314	2	106.9157	1.477	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:2:	4:	C[4x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]OO)(OH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(OC)2	H(C[6,6]C[4x6]C[6,6]O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]OO)(OH)(H){1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(OC)2{3|C<4>,4|H<1>}	H(C[6,6]C[4x6]C[6,6]O)	106.0220	0.095	2	105.8760	0.068	3	105.8760	0.068	3	106.9157	1.477	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:2:	4:	C[4x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]OO)(OH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(OC)2	H(C[6,6]C[4x6]C[6,6]O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]OO)(OH)(H){2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(OC)2{3|C<4>,4|H<1>}	H(C[6,6]C[4x6]C[6,6]O)	105.5840	0.000	1	105.8760	0.068	3	105.8760	0.068	3	106.9157	1.477	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(OC)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(OC)2{2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	108.5010	0.000	1	108.5010	0.000	1	108.5010	0.000	1	106.9157	1.477	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:3:	4:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:C-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]C[5,6]C)(C[6,6]C[5,6]O[6]C)(OC)(H)	C[6,6](C[5,6]C[5,5,6]N[5]H)(C[6,6]C[5,6,6]HO)(O[6]C[5,6])(COO)	H(C[6,6]C[5,6,6]C[6,6]O)	C[6,6](C[5,6,6]C[5,5,6]C[5,6]C)(C[6,6]C[5,6]O[6]C)(OC)(H){2|C<4>,2|N<3>,4|H<1>}	C[6,6](C[5,6]C[5,5,6]N[5]H)(C[6,6]C[5,6,6]HO)(O[6]C[5,6])(COO){1|N<3>,2|C<3>,6|C<4>}	H(C[6,6]C[5,6,6]C[6,6]O)	110.4510	0.165	2	110.4510	0.027	2	110.4510	0.027	2	109.9823	0.673	3	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:3:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:N[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]O[6])(C[6]C[6]HH)(O[6]C[6,6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(N[6]C[6]2)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]N[6]O[6])(C[6]C[6]HH)(O[6]C[6,6])(H){1|N<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(N[6]C[6]2){5|C<4>,9|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.0450	0.000	1	109.0450	0.000	1	109.0450	0.000	1	109.9823	0.673	3	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:4:	4:	C[3,6]-4:C[6,6]-4:S[6]-2:H-1:	C[6,6]-4:C[6]-4:S[6]-2:C-4:	C[6,6]-4:	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]S[6]C)(S[6]C[5,6])(H)	C[6,6](C[6,6]C[3,6]S[6]H)(C[6]C[6]HH)(S[6]C[5,6])(CH3)	H(C[6,6]C[3,6]C[6,6]S[6])	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]S[6]C)(S[6]C[5,6])(H){1|C<3>,1|S<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[3,6]S[6]H)(C[6]C[6]HH)(S[6]C[5,6])(CH3){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	H(C[6,6]C[3,6]C[6,6]S[6])	107.5330	0.000	1	107.5330	0.000	1	107.5330	0.000	1	107.3573	0.264	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(O[6]C[6,6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6,6])(CH3)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(O[6]C[6,6])(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6,6])(CH3){1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	107.0340	0.000	1	107.0340	0.000	1	107.3354	0.297	8	107.3573	0.264	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(CH3)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(O[6]C[6])(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(CH3){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	107.0200	0.000	1	107.0200	0.000	1	107.3354	0.297	8	107.3573	0.264	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[5,6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[5,6])(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3){3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	107.3680	0.000	1	107.3680	0.000	1	107.3354	0.297	8	107.3573	0.264	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6,6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6])(CH3)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6,6])(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6])(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	107.9420	0.000	1	107.9420	0.000	1	107.3354	0.297	8	107.3573	0.264	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	107.9295	0.285	2	107.3298	0.507	4	107.3354	0.297	8	107.3573	0.264	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:2:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6])(H){2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	106.7300	0.000	2	107.3298	0.507	4	107.3354	0.297	8	107.3573	0.264	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(OH)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HO)(NHH)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(OH)(H){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HO)(NHH)(H){1|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]O)	108.6810	0.000	1	108.6810	0.000	1	108.6810	0.000	1	108.6794	1.085	24	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[5,3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]CH)(OH)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(CCH)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]CH)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(CCH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	109.8390	0.064	2	109.8390	0.004	2	109.8390	0.004	2	108.6794	1.085	24	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]O[5])(C[6,6]C[6,6]CH)(O[6]C[6])(H)	C[6,6](C[6,6]C[5,6]C[6]N)(C[6,6]C[5,6]O[6]H)(CCH)(H)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,6]C[5]O[5])(C[6,6]C[6,6]CH)(O[6]C[6])(H){1|N<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6]N)(C[6,6]C[5,6]O[6]H)(CCH)(H){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	H(C[6,6]C[5,6]C[6,6]O[6])	107.8520	0.000	1	107.8520	0.000	1	107.8520	0.000	1	108.6794	1.085	24	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2H)(O[6]C[6,6a])(H)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6,6a]O)(H)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2H)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>,5|C<3>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6,6a]O)(H){1|C<4>,6|C<3>}	H(C[6,6]C[5,6]C[6,6]O[6])	108.8425	0.098	2	108.9120	0.019	3	108.9120	0.019	3	108.6794	1.085	24	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2H)(O[6]C[6,6a])(H)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6,6a]O)(H)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2H)(O[6]C[6,6a])(H){1|C<4>,1|O<2>,2|O<1>,3|H<1>,5|C<3>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6,6a]O)(H){1|C<4>,6|C<3>}	H(C[6,6]C[5,6]C[6,6]O[6])	109.0510	0.000	1	108.9120	0.019	3	108.9120	0.019	3	108.6794	1.085	24	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(OH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(C[6a]C[6a]2)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(OH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(C[6a]C[6a]2)(H){1|C<4>,3|C<3>,7|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	108.7760	0.000	1	108.7760	0.000	1	108.7760	0.000	1	108.6794	1.085	24	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[4,6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:N[5]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]N[5]H)(C[4,6,6]C[4,6]2H)(OH)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[5]C[5]2)(H)	H(C[6,6]C[4,6,6]C[6,6]O)	C[6,6](C[6,6]C[6,6]N[5]H)(C[4,6,6]C[4,6]2H)(OH)(H){4|H<1>,5|C<4>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[5]C[5]2)(H){4|C<4>,6|H<1>}	H(C[6,6]C[4,6,6]C[6,6]O)	107.5360	0.000	1	107.5360	0.000	1	107.5360	0.000	1	108.6794	1.085	24	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[4,6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(OH)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[6]C[6]2)(H)	H(C[6,6]C[4,6,6]C[6,6]O)	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(OH)(H){4|H<1>,5|C<4>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[6]C[6]2)(H){4|C<4>,6|H<1>}	H(C[6,6]C[4,6,6]C[6,6]O)	107.7070	0.000	1	107.7070	0.000	1	107.7070	0.000	1	108.6794	1.085	24	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6])(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]2C[6])	106.8210	0.000	1	106.8210	0.000	1	106.8210	0.000	1	108.6794	1.085	24	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[5,6]HO)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(OH)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[5,6]HO)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]2O)	107.6250	0.000	1	107.6250	0.000	1	107.6250	0.000	1	108.6794	1.085	24	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]O[6]H)(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]O[6]H)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6,6]C[6,6]2O)	110.4340	0.000	1	110.4340	0.000	1	110.4340	0.000	1	108.6794	1.085	24	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:S-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(SC[6])(H)	C[6,6](C[6,6]C[6,6]HS)(C[6]C[6]HO)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]2S)	C[6,6](C[6,6]C[6]2H)2(SC[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HS)(C[6]C[6]HO)(C[6]C[6]O)(H){2|C<4>,5|H<1>}	H(C[6,6]C[6,6]2S)	109.2680	0.000	1	109.2680	0.000	1	109.2680	0.000	1	108.6794	1.085	24	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	106.3320	0.000	1	107.3745	2.174	2	107.7583	0.921	4	108.6794	1.085	24	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,2|C<2>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.4170	0.000	1	107.3745	2.174	2	107.7583	0.921	4	108.6794	1.085	24	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]C[6]O)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.1420	0.000	2	108.1420	0.000	2	107.7583	0.921	4	108.6794	1.085	24	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(N[6]C[6]S)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|S<4>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.2960	0.000	1	108.2960	0.000	1	108.8993	0.453	3	108.6794	1.085	24	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(N[6]C[6]S)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|F<1>,1|O<2>,1|S<4>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(N[6]C[6]S)(H){2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.7770	0.000	1	108.7770	0.000	1	108.8993	0.453	3	108.6794	1.085	24	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]N[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]N[5]H)(N[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]N[6]HH)(O[6]C[6])(H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]N[5]H)(N[6]C[6]C)(H){1|N<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.6250	0.000	1	109.6250	0.000	1	108.8993	0.453	3	108.6794	1.085	24	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6]C[5a]H)(C[6,6]C[6]2H)(O[6]C[6,6a])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6,6a]O)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6]C[5,6]C[5a]H)(C[6,6]C[6]2H)(O[6]C[6,6a])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	109.8200	0.052	3	109.8200	0.003	3	109.8200	0.003	3	108.6794	1.085	24	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:3:2:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[4,6,6]-4:C[6,6]-4:C-3:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(OO)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(CCO)(OH)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(OO)(H){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(CCO)(OH){3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2O)	108.7190	0.000	1	108.7190	0.000	1	108.7190	0.000	1	110.2445	4.520	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:3:2:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(OH)(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]HO)(C[6]C[6]H)(OH)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(OH)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]HO)(C[6]C[6]H)(OH){1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]2O)	107.6050	0.000	1	107.6050	0.000	1	107.6050	0.000	1	110.2445	4.520	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:3:2:	4:	C[6,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O[6]-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O[6])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]OO)(C[6]C[6]O)(O[6]C[6])	H(C[6,6]C[6,6]2O[6])	C[6,6](C[6,6]C[6]2O[6])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){2|C<3>,2|H<1>,3|C<4>,4|O<2>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]OO)(C[6]C[6]O)(O[6]C[6]){1|Br<1>,1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]2O[6])	110.9815	0.279	2	110.9815	0.078	2	110.9815	0.078	2	110.2445	4.520	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(O[6]N[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(O[6]N[6])(H){1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OH){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	113.6540	0.000	1	113.6540	0.000	1	113.6540	0.000	1	110.2445	4.520	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:N[6]-3:O[6]-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]O[6])(C[6]C[5a]C[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(N[6]C[6]2)(O[6]C[6])	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]N[6]O[6])(C[6]C[5a]C[6]H)(O[6]C[6])(H){1|N<3>,2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(N[6]C[6]2)(O[6]C[6]){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.5260	0.000	1	109.5260	0.000	1	109.5260	0.000	1	110.2445	4.520	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6])(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]2C[6])	106.8330	0.000	1	106.8330	0.000	1	106.8330	0.000	1	108.2546	0.363	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)2(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CC)(C[6]C[6]O)(CCHH)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[6]2C)2(OH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2O)	108.4737	0.400	3	108.4737	0.160	3	108.4446	0.135	8	108.2546	0.363	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)2(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CH)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[6]2C)2(OH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CH)(C[6]C[6]O)(CH3){2|H<1>,4|C<4>}	H(C[6,6]C[6,6]2O)	108.0100	0.000	1	108.0100	0.000	1	108.4446	0.135	8	108.2546	0.363	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)2(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[6]2C)2(OH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2O)	108.5290	0.451	3	108.5290	0.203	3	108.4446	0.135	8	108.2546	0.363	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)2(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]N[6]HH)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[6]2C)2(OH)(H){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]N[6]HH)(C[6]C[6]O)(CH3){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2O)	108.5390	0.000	1	108.5390	0.000	1	108.4446	0.135	8	108.2546	0.363	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(C[6]N[6]O)(CH3)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H){1|N<2>,2|C<4>,2|O<1>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(C[6]N[6]O)(CH3){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.1560	0.000	1	108.1560	0.000	1	108.1560	0.000	1	108.2546	0.363	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:S-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HS)(OC)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(SC[6a]OO)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HS)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(SC[6a]OO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[3x6]C[6,6]O)	109.3050	0.000	1	109.3050	0.000	1	109.3050	0.000	1	108.6171	4.644	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(OH)(H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(CH3)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(OH)(H){1|C<3>,1|H<1>,3|C<4>}	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	108.7550	0.000	1	108.8648	0.008	4	108.8648	0.008	4	108.6171	4.644	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(OH)(H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(CH3)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	108.9013	0.065	3	108.8648	0.008	4	108.8648	0.008	4	108.6171	4.644	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6]2H)(O[6]C[6])(H)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]HH)2(H)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6]2H)(O[6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]HH)2(H){2|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[5,6]C[6,6]O[6])	107.6065	0.230	2	107.6065	0.053	2	107.6065	0.053	2	108.6171	4.644	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[4,6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:N[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(OH)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[6]C[6]2H)(H)	H(C[6,6]C[4,6,6]C[6,6]O)	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(OH)(H){5|C<4>,5|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[6]C[6]2H)(H){4|C<4>,6|H<1>}	H(C[6,6]C[4,6,6]C[6,6]O)	107.5980	0.000	1	107.5980	0.000	1	107.5980	0.000	1	108.6171	4.644	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(CN)(H)	C[6,6](C[6,6]C[6,6]CH)(C[6]N[6]HH)(C[6]S[6]HH)(H)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[6]2H)2(CN)(H){1|N<3>,1|S<2>,8|H<1>}	C[6,6](C[6,6]C[6,6]CH)(C[6]N[6]HH)(C[6]S[6]HH)(H){1|H<1>,3|C<4>}	H(C[6,6]C[6,6]2C)	108.6345	0.036	2	108.6345	0.001	2	108.6345	0.001	2	108.6171	4.644	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:N-2:H-1:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NC)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(CH3)(H)	H(C[6,6]C[6,6]2N)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NC)(H){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(CH3)(H){3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2N)	107.8340	0.000	1	107.8340	0.000	1	107.8340	0.000	1	108.6171	4.644	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(OC)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(CH3)(H)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(OC)(H){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(CH3)(H){3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2O)	108.5220	0.000	1	108.5220	0.000	1	108.5220	0.000	1	108.6171	4.644	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(OH)(H){3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	H(C[6,6]C[6,6]2O)	108.4140	0.000	1	108.4140	0.000	1	109.3955	0.850	6	108.6171	4.644	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(OSi)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(OSi)(H){1|C<2>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]2O)	109.4630	0.000	1	109.4630	0.000	1	109.3955	0.850	6	108.6171	4.644	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[6]2H)2(OH)(H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]2O)	109.5480	1.747	2	109.5480	3.050	2	109.3955	0.850	6	108.6171	4.644	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]N[6]HH)(C[6]S[6]HH)(H)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[6]2H)2(OH)(H){1|N<3>,1|S<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]N[6]HH)(C[6]S[6]HH)(H){1|H<1>,2|O<1>,3|C<4>}	H(C[6,6]C[6,6]2O)	109.7000	0.042	2	109.7000	0.002	2	109.3955	0.850	6	108.6171	4.644	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(O[6]C[6])(H)	C[6,6](C[5,6,6]C[5,5,6]C[5]N[6])(C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2O[6])	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(O[6]C[6])(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[5]N[6])(C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]2O[6])	108.1080	0.000	1	108.1080	0.000	1	108.2885	0.065	2	108.6171	4.644	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(O[6]C[6])(H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)	H(C[6,6]C[6,6]2O[6])	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(O[6]C[6])(H){2|O<2>,5|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	H(C[6,6]C[6,6]2O[6])	108.4690	0.000	1	108.4690	0.000	1	108.2885	0.065	2	108.6171	4.644	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2O)(C[6]C[6]CH)(H)	H(C[6,6]C[6,6]2O[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(O[6]C[6])(H){2|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2O)(C[6]C[6]CH)(H){1|O<2>,4|H<1>,6|C<4>}	H(C[6,6]C[6,6]2O[6])	109.1153	0.085	3	109.1153	0.007	3	109.1153	0.007	3	108.6171	4.644	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[6,6]C[6,6]2O[6])	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(O[6]C[6])(H){2|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(H){2|H<1>,4|C<4>}	H(C[6,6]C[6,6]2O[6])	108.4060	0.000	1	108.4060	0.000	1	108.9170	0.138	4	108.6171	4.644	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[6,6]C[6,6]2O[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(O[6]C[6])(H){2|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(H){2|H<1>,4|C<4>}	H(C[6,6]C[6,6]2O[6])	109.0873	0.182	3	109.0873	0.033	3	108.9170	0.138	4	108.6171	4.644	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:S-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(SC[6])(H)	C[6,6](C[6,6]C[6,6]HS)(C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2S)	C[6,6](C[6,6]C[6]2H)2(SC[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HS)(C[6]N[5a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	H(C[6,6]C[6,6]2S)	112.2180	0.000	1	112.2180	0.000	1	112.2180	0.000	1	108.6171	4.644	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]CH)(C[6]C[6,6]HO)(O[6]C[6])(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6,6]C[6]O[6]H)(CH3)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6,6]CH)(C[6]C[6,6]HO)(O[6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6,6]C[6]O[6]H)(CH3)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.1490	0.000	1	108.1490	0.000	1	108.1490	0.000	1	108.6171	4.644	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]CH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)2(CH3)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]CH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)2(CH3)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	107.6130	0.068	2	107.6130	0.005	2	107.6130	0.005	2	108.6171	4.644	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,2|C<4>,2|S<2>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.2940	0.000	1	109.2940	0.000	1	109.2940	0.000	1	108.6171	4.644	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:S-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HS)(C[6]C[6,6a]HH)(O[6]C[6,6a])(H)	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]H)(SCOO)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]HS)(C[6]C[6,6a]HH)(O[6]C[6,6a])(H){1|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]H)(SCOO)(H){2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	107.6720	0.000	1	107.6720	0.000	1	108.0936	0.168	5	108.6171	4.644	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:S-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HS)(C[6]C[6,6a]HH)(O[6]C[6,6a])(H)	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]H)(SC[6a]OO)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]HS)(C[6]C[6,6a]HH)(O[6]C[6,6a])(H){1|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]H)(SC[6a]OO)(H){2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	108.1990	0.387	4	108.1990	0.150	4	108.0936	0.168	5	108.6171	4.644	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(C[6]O[6]CH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(C[6]O[6]CH)(H){3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	107.7230	0.576	2	107.7230	0.331	2	109.5023	4.564	12	108.6171	4.644	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[3]C[6]H)(C[6]O[6]CH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[3]C[6]H)(C[6]O[6]CH)(H){4|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.0490	0.000	1	108.0490	0.000	1	109.5023	4.564	12	108.6171	4.644	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5]C[6]H)(C[6]O[6]CH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5]C[6]H)(C[6]O[6]CH)(H){4|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.5910	0.000	1	108.5910	0.000	1	109.5023	4.564	12	108.6171	4.644	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.9630	0.000	1	108.9630	0.000	1	109.5023	4.564	12	108.6171	4.644	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CN)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CN)(C[6]C[6]HH)(H){2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	115.4860	0.000	1	115.4860	0.000	1	109.5023	4.564	12	108.6171	4.644	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.0040	0.000	1	109.0040	0.000	1	109.5023	4.564	12	108.6171	4.644	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]N[6]CC)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]N[6]CC)(H){1|S<4>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.6750	0.000	1	108.6750	0.000	1	109.5023	4.564	12	108.6171	4.644	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]N[6]CH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]N[6]CH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	111.3870	0.000	1	111.3870	0.000	1	109.5023	4.564	12	108.6171	4.644	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]S[6]CC)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|P<4>,1|S<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]S[6]CC)(H){1|Co<5>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.4590	0.000	1	109.4590	0.000	1	109.5023	4.564	12	108.6171	4.644	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]N[6]CH)(C[6]O[6]CH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]N[6]CH)(C[6]O[6]CH)(H){1|S<4>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.4840	0.103	2	109.4840	0.011	2	109.5023	4.564	12	108.6171	4.644	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:S[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]S[6]H)(C[6]O[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(S[6]C[6]OO)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]S[6]H)(C[6]O[6]HO)(O[6]C[6])(H){1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(S[6]C[6]OO)(H){2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.6125	0.422	2	109.6125	0.178	2	109.6125	0.178	2	108.6171	4.644	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]N[6,6])(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]N[6,6])(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	106.6630	0.000	1	106.6630	0.000	1	106.6630	0.000	1	108.6171	4.644	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:S[6]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(S[6]C[6])(H)	C[6,6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6]S[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]S[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(S[6]C[6])(H){2|C<4>,2|O<2>,6|H<1>}	C[6,6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6]S[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]S[6])	108.3790	0.000	1	108.3790	0.000	1	108.3790	0.000	1	108.6171	4.644	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:S[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(S[6]C[6])(H)	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]C[6]S[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(S[6]C[6])(H){1|O<2>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]S[6])	108.3290	0.000	1	108.3290	0.000	1	108.3290	0.000	1	108.6171	4.644	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]CC)(C[6,6]C[6]2H)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6]C[6,6a]CC)(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H){3|C<4>,4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	108.2275	0.101	2	108.2275	0.010	2	108.3150	0.028	3	108.6171	4.644	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2H)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	108.4900	0.000	1	108.4900	0.000	1	108.3150	0.028	3	108.6171	4.644	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6,6]-4:S[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(S[6]C[6])(H)	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]S[6])	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(S[6]C[6])(H){3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]S[6])	95.7040	0.000	1	95.7040	0.000	1	95.7040	0.000	1	108.6171	4.644	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6]O)(C[6,6]C[6]2Br)(OH)(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]HO)(C[6]C[6]HH)(OH)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[3,6]C[6]O)(C[6,6]C[6]2Br)(OH)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]HO)(C[6]C[6]HH)(OH){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6,6]C[6,6]2O)	107.2940	0.000	1	107.2940	0.000	1	107.2940	0.000	1	108.2602	1.720	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(OH)	H(C[6,6]C[6,6]2O[6])	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6,6]C[6,6]2O[6])	106.2290	0.000	1	106.2290	0.000	1	106.2290	0.000	1	108.2602	1.720	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6]O)(C[6]C[6]CC)(O[6]C[6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(OH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[3,6]C[6]O)(C[6]C[6]CC)(O[6]C[6])(H){2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(OH){3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.8420	0.000	1	108.8420	0.000	1	108.8420	0.000	1	108.2602	1.720	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2(OC)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2(OC){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.1460	0.000	1	109.1460	0.000	1	108.6628	1.478	6	108.2602	1.720	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(O[6]C[6])(H){1|C<2>,2|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){2|C<4>,3|H<1>,3|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.4755	0.091	2	109.4755	0.008	2	108.6628	1.478	6	108.2602	1.720	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(O[6]N[6,6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(C[6]C[6]ClH)(OH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(O[6]N[6,6])(H){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(C[6]C[6]ClH)(OH){1|N<3>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	107.1190	0.000	1	107.1190	0.000	1	108.6628	1.478	6	108.2602	1.720	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(O[6]N[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(O[6]N[6])(H){1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	107.0990	0.000	1	107.0990	0.000	1	108.6628	1.478	6	108.2602	1.720	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]O[6]HH)(O[6]N[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]N[6]HH)(OH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2O)(C[6]O[6]HH)(O[6]N[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]N[6]HH)(OH){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.6620	0.000	1	109.6620	0.000	1	108.6628	1.478	6	108.2602	1.720	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:3:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(OSi)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)2(COO)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(OSi)(H){1|C<2>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)2(COO){2|C<4>,5|H<1>}	H(C[6,6]C[6,6]2O)	109.4320	0.000	1	109.4320	0.000	1	109.8374	0.931	10	109.4744	1.481	12	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:3:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)2(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CH)(C[6]N[6]HH)(COO)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[6]2C)2(OH)(H){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CH)(C[6]N[6]HH)(COO){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2O)	108.5850	0.000	1	108.5850	0.000	1	109.8374	0.931	10	109.4744	1.481	12	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:3:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)2(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[6]2C)2(OH)(H){2|C<3>,2|N<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO){1|Cu<5>,1|N<3>,2|C<3>,4|C<4>}	H(C[6,6]C[6,6]2O)	110.5465	0.028	2	110.5465	0.001	2	109.8374	0.931	10	109.4744	1.481	12	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:3:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)2(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6a]N[6]H)(C[6]N[6]HH)(COO)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[6]2C)2(OH)(H){2|C<3>,2|N<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6a]N[6]H)(C[6]N[6]HH)(COO){1|N<2>,2|C<3>,4|C<4>}	H(C[6,6]C[6,6]2O)	109.8773	1.062	6	109.8773	1.127	6	109.8374	0.931	10	109.4744	1.481	12	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CCH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CCH){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	107.6530	0.000	1	107.6530	0.000	1	107.6595	0.000	2	109.4744	1.481	12	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(COO)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(COO){1|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	107.6660	0.000	1	107.6660	0.000	1	107.6595	0.000	2	109.4744	1.481	12	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[5,6]C[6]C)(OH)(H)	C[6,6](C[5,6]C[5,5]C[5]C[6])(C[6,6]C[5,6,6]HO)(C[6]C[6]CH)(CH3)	H(C[6,6]C[5,6,6]C[6,6]O)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[5,6]C[6]C)(OH)(H){2|C<3>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,5]C[5]C[6])(C[6,6]C[5,6,6]HO)(C[6]C[6]CH)(CH3){1|C<3>,1|N<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[6,6]C[5,6,6]C[6,6]O)	109.1240	0.000	1	109.1240	0.000	1	109.1240	0.000	1	107.5996	1.794	38	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)2(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)2(CH3)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[6]2C)2(OH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)2(CH3){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2O)	107.6570	0.000	1	107.6570	0.000	1	108.5363	0.961	3	107.5996	1.794	38	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)2(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]N[6]HH)2(CH3)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[6]2C)2(OH)(H){2|N<3>,8|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]N[6]HH)2(CH3){1|H<1>,4|C<4>}	H(C[6,6]C[6,6]2O)	108.9760	0.873	2	108.9760	0.761	2	108.5363	0.961	3	107.5996	1.794	38	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:N[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6])(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]O[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]O[6]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.6260	0.000	1	107.6260	0.000	1	107.6260	0.000	1	107.5996	1.794	38	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]BrH)(O[6]C[5,6])(H)	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]BrH)(O[6]C[5,6])(H){1|Br<1>,3|H<1>,6|C<4>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3){1|Br<1>,2|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.1070	0.000	1	108.1070	0.000	1	108.1070	0.000	1	107.5996	1.794	38	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6,6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6,6])(H){1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3){4|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.3817	0.498	4	108.3817	0.248	4	107.2145	1.539	28	107.5996	1.794	38	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.0105	0.467	2	107.4966	0.283	7	107.2145	1.539	28	107.5996	1.794	38	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3){5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	107.2910	0.431	5	107.4966	0.283	7	107.2145	1.539	28	107.5996	1.794	38	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CH3){4|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	106.9705	0.453	2	106.7431	1.916	16	107.2145	1.539	28	107.5996	1.794	38	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CH3){4|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	105.7780	0.520	2	106.7431	1.916	16	107.2145	1.539	28	107.5996	1.794	38	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CH3){4|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	106.8661	1.541	12	106.7431	1.916	16	107.2145	1.539	28	107.5996	1.794	38	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(O[6]C[3x6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CH)(CH3)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(O[6]C[3x6])(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CH)(CH3){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.1120	0.000	1	108.1120	0.000	1	107.2145	1.539	28	107.5996	1.794	38	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(C[6]O[6]HO)(CH3)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H){2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(C[6]O[6]HO)(CH3){2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	107.3990	0.000	1	107.3990	0.000	1	109.0780	1.594	4	107.5996	1.794	38	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(CHHN)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,8|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(CHHN){2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.2550	0.000	1	109.2550	0.000	1	109.0780	1.594	4	107.5996	1.794	38	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2(CH3)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2(CH3){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.4630	0.000	1	109.8290	0.804	2	109.0780	1.594	4	107.5996	1.794	38	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2(CH3)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2(CH3){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.1950	0.000	1	109.8290	0.804	2	109.0780	1.594	4	107.5996	1.794	38	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:3:4:1:	4:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6]O[6]2C)(COO)(H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(H)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6]O[6]2C)(COO)(H){4|C<3>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(H){1|H<1>,1|N<2>,1|N<3>,2|O<2>,4|C<3>}	H(C[6,6]C[6,6]2C)	108.7040	0.000	1	108.7040	0.000	1	108.3055	0.318	2	107.9592	0.899	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:3:4:1:	4:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6]O[6]2H)(COO)(H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(H)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6]O[6]2H)(COO)(H){4|C<3>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(H){1|N<2>,1|N<3>,2|H<1>,2|O<2>,3|C<3>}	H(C[6,6]C[6,6]2C)	107.9070	0.000	1	107.9070	0.000	1	108.3055	0.318	2	107.9592	0.899	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]CH)(C[6]O[6]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]CH)(C[6]O[6]O)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H){1|O<1>,2|C<4>,2|O<2>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.1080	0.000	1	106.1080	0.000	1	106.1080	0.000	1	107.9592	0.899	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]O)(H){6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){2|H<1>,2|N<3>,2|O<1>,2|O<2>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.1830	0.000	1	108.1830	0.000	1	108.2475	0.008	2	107.9592	0.899	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]2H)(C[6]O[6]CH)(C[6]O[6]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]2H)(C[6]O[6]CH)(C[6]O[6]O)(H){4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>,2|O<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]2)	108.3120	0.000	1	108.3120	0.000	1	108.2475	0.008	2	107.9592	0.899	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H)	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H){2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(H){2|C<4>,4|H<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]N[6])	108.5410	0.000	1	108.5410	0.000	1	108.5410	0.000	1	107.9592	0.899	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6a]-3:C[6,6]-4:N[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[6]O[6]C)(COO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6])(H)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[6]O[6]C)(COO)(H){1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	H(C[6,6]C[6,6]2C)	106.6070	0.000	1	106.6070	0.000	1	106.6070	0.000	1	108.2536	1.263	8	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]H)(CC[6a]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(O[6]C[6,6a])(H)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]H)(CC[6a]O)(H){1|O<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(O[6]C[6,6a])(H){1|C<4>,1|H<1>,5|C<3>}	H(C[6,6]C[6,6]2C)	108.3300	0.000	1	108.3300	0.000	1	108.2783	0.003	3	108.2536	1.263	8	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]H)(COO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(O[6]C[6,6a])(H)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]H)(COO)(H){1|O<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(O[6]C[6,6a])(H){1|C<4>,1|H<1>,5|C<3>}	H(C[6,6]C[6,6]2C)	108.2525	0.032	2	108.2525	0.001	2	108.2783	0.003	3	108.2536	1.263	8	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5a,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]O[6]H)(C[6]C[6]CS)(C[6]C[6]H)(H)	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]2H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5a,6]O[6]H)(C[6]C[6]CS)(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,1|N<3>,1|S<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	106.7110	0.000	1	106.7110	0.000	1	106.7110	0.000	1	108.2536	1.263	8	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(N[6]C[6]S)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(N[6]C[6]S)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(O[6]C[6])(H){1|O<2>,1|S<4>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.8470	0.000	1	108.8470	0.000	1	109.2920	0.254	3	108.2536	1.263	8	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]O[6]HH)(N[6]C[6]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]O[6]HH)(N[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.8390	0.000	1	109.8390	0.000	1	109.2920	0.254	3	108.2536	1.263	8	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]O[6]HH)(N[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]O[6]HH)(N[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(O[6]C[6])(H){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.1900	0.000	1	109.1900	0.000	1	109.2920	0.254	3	108.2536	1.263	8	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]O[6]2H)(COO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]O[6]2H)(COO)(H){4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]2C)	108.4810	0.000	1	108.4810	0.000	1	108.4810	0.000	1	107.8855	1.049	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[6]O[6]C)(CCO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]H)(H)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[6]O[6]C)(CCO)(H){2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	H(C[6,6]C[6,6]2C)	108.0390	0.000	1	108.0390	0.000	1	108.5830	0.320	4	107.8855	1.049	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[6]O[6]C)(COO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]C)(H)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[6]O[6]C)(COO)(H){1|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	H(C[6,6]C[6,6]2C)	109.1020	0.000	1	109.1020	0.000	1	108.5830	0.320	4	107.8855	1.049	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[6]O[6]C)(COO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]H)(H)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[6]O[6]C)(COO)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	H(C[6,6]C[6,6]2C)	108.1520	0.000	1	108.5955	0.393	2	108.5830	0.320	4	107.8855	1.049	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[6]O[6]C)(COO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]H)(H)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[6]O[6]C)(COO)(H){2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(C[6,6]C[6,6]2C)	109.0390	0.000	1	108.5955	0.393	2	108.5830	0.320	4	107.8855	1.049	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(N[6]C[6,6a]S)(H)	H(C[6,6]C[6,6]2C[6a])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H){1|N<3>,1|S<4>,2|H<1>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(N[6]C[6,6a]S)(H){1|C<4>,2|H<1>,6|C<3>}	H(C[6,6]C[6,6]2C[6a])	107.6225	0.572	2	107.6225	0.327	2	107.6225	0.327	2	107.8855	1.049	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]N)(H)	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6]C[6]2H)(C[6]C[6,6a]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]N)(H){1|O<1>,2|H<1>,6|C<3>}	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6]C[6]2H)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	106.2340	0.000	1	106.2340	0.000	1	106.2340	0.000	1	107.8855	1.049	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]Br)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H){1|Br<1>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]Br)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.0990	0.000	1	105.0990	0.000	1	107.8624	1.245	14	107.8855	1.049	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H){3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.5510	0.000	1	108.1382	1.054	6	107.8624	1.245	14	107.8855	1.049	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H){3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.9450	0.863	2	108.1382	1.054	6	107.8624	1.245	14	107.8855	1.049	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H){3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3625	0.776	2	108.1382	1.054	6	107.8624	1.245	14	107.8855	1.049	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H){3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|Si<4>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	106.6630	0.000	1	108.1382	1.054	6	107.8624	1.245	14	107.8855	1.049	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]Si)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H){1|Si<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]Si)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3050	0.187	2	108.3050	0.035	2	107.8624	1.245	14	107.8855	1.049	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H){3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6810	0.000	1	107.6810	0.000	1	107.8624	1.245	14	107.8855	1.049	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(C[6]O[6]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(C[6]O[6]O)(H){2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.8920	0.000	1	107.8920	0.000	1	107.8624	1.245	14	107.8855	1.049	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]S[6]H)(C[6]O[6]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]S[6]H)(C[6]O[6]O)(H){1|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,1|S<2>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	106.7820	0.000	1	106.7820	0.000	1	107.8624	1.245	14	107.8855	1.049	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]HH)(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]O[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]HH)(C[6]C[6]H)(H){1|O<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]O[6]O)(H){1|O<2>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5900	0.363	2	108.5900	0.132	2	107.8624	1.245	14	107.8855	1.049	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HS)(N[6,6]C[6]2)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HS)(N[6,6]C[6]2)(H){1|O<2>,2|H<1>,3|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C)(H){1|O<2>,1|S<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	106.4960	0.000	1	106.4960	0.000	1	106.4960	0.000	1	107.8855	1.049	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H)	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H){3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.4570	0.354	3	108.4570	0.126	3	108.0118	0.877	4	107.8855	1.049	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]S)(H)	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]S)(H){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){1|S<4>,2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	106.6760	0.000	1	106.6760	0.000	1	108.0118	0.877	4	107.8855	1.049	27	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]H)(CC[6a]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6,6a]O)(CH3)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]H)(CC[6a]O)(H){1|O<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6,6a]O)(CH3){1|O<2>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]2C)	108.3140	0.000	1	108.3140	0.000	1	108.2753	0.005	3	107.7540	1.091	4	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]H)(COO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6,6a]O)(CCHH)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]H)(COO)(H){1|O<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6,6a]O)(CCHH){1|O<2>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]2C)	108.2560	0.092	2	108.2560	0.008	2	108.2753	0.005	3	107.7540	1.091	4	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:3:4:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(N[6]C[6]P)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(CCHH)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(N[6]C[6]P)(H){1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(CCHH){1|P<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	106.1900	0.000	1	106.1900	0.000	1	106.1900	0.000	1	107.7540	1.091	4	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6,6a]C[6]H)(CC[6a]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]CH)(C[6]C[6]CH)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6,6a]C[6]H)(CC[6a]O)(H){3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]CH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]C)	107.3030	0.000	1	107.3030	0.000	1	107.3030	0.000	1	107.4353	1.008	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[3x6]-4:C-3:H-1:	C[5a]-3:C[3x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2C)(CHO)(H)	C[6,6](C[5a]C[5a,6a]C[5a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2C)(CHO)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5a]C[5a,6a]C[5a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.3910	0.000	1	107.3910	0.000	1	107.3910	0.000	1	107.4353	1.008	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.0580	0.000	1	109.0580	0.000	1	107.7800	3.267	2	107.4353	1.008	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.5020	0.000	1	106.5020	0.000	1	107.7800	3.267	2	107.4353	1.008	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[5,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]N[6]H)(C[6]C[6]HO)(H)	H(C[6,6]C[5,6]C[6,6]N[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]N[6]H)(C[6]C[6]HO)(H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	H(C[6,6]C[5,6]C[6,6]N[6])	109.6940	0.000	1	109.6940	0.000	1	109.6940	0.000	1	107.4353	1.008	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CCH)(H)	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]CH)(C[6]O[6]HH)(H)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CCH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]CH)(C[6]O[6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[6,6]C[6,6]2C)	108.1070	0.000	1	108.1070	0.000	1	108.1070	0.000	1	107.4353	1.008	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]C)(CCO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]C)(CCO)(H){3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	H(C[6,6]C[6,6]2C)	107.9585	0.161	2	107.9585	0.026	2	107.9585	0.026	2	107.4353	1.008	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6]C[6,6a]C[6a]H)(H)	H(C[6,6]C[6,6]2C[6a])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H){1|N<3>,1|S<4>,2|H<1>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6]C[6,6a]C[6a]H)(H){1|N<3>,2|H<1>,8|C<3>}	H(C[6,6]C[6,6]2C[6a])	107.6445	0.674	2	107.6445	0.454	2	107.6445	0.454	2	107.4353	1.008	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:N[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]N)(C[6a]C[6a]2)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(N[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6a])	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]N)(C[6a]C[6a]2)(H){1|C<4>,5|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(N[6]C[6]HH)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,5|C<3>}	H(C[6,6]C[6,6]2C[6a])	106.5530	0.000	1	106.5530	0.000	1	106.5530	0.000	1	107.4353	1.008	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-3:C[5,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[5,6,6]C[6,6])(C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,3|H<1>,3|O<2>}	C[6,6](C[6,6]C[5,6,6]C[6,6])(C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(H){1|C<3>,2|O<2>,3|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.3680	0.000	1	107.3680	0.000	1	107.3680	0.000	1	107.4353	1.008	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]N[6]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.7100	0.000	1	106.7100	0.000	1	106.4183	0.102	3	107.4353	1.008	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.2725	0.278	2	106.2725	0.077	2	106.4183	0.102	3	107.4353	1.008	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H){3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7890	0.054	2	107.7890	0.003	2	107.2351	0.387	10	107.4353	1.008	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2090	0.000	1	107.1780	0.099	4	107.2351	0.387	10	107.4353	1.008	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1677	0.384	3	107.1780	0.099	4	107.2351	0.387	10	107.4353	1.008	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|C<4>,4|H<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.6840	0.000	1	107.6840	0.000	1	107.2351	0.387	10	107.4353	1.008	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|N<3>,4|H<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.8780	0.000	1	107.8780	0.000	1	107.2351	0.387	10	107.4353	1.008	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|O<2>,4|H<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	106.2760	0.000	1	106.2760	0.000	1	107.2351	0.387	10	107.4353	1.008	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]CC)(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]CC)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	106.2230	0.000	1	106.2230	0.000	1	107.2351	0.387	10	107.4353	1.008	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H)	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6a]C[6]H)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6a]C[6]H)(H){2|C<4>,5|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.2960	0.000	1	107.2960	0.000	1	108.0040	0.385	3	107.4353	1.008	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HO)(N[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HO)(N[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.2650	0.000	1	108.2650	0.000	1	108.0040	0.385	3	107.4353	1.008	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HO)(N[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HO)(N[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HO)(H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.4510	0.000	1	108.4510	0.000	1	108.0040	0.385	3	107.4353	1.008	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[5,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,3|C<3>,5|H<1>}	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.1295	3.021	2	107.1295	9.129	2	107.1295	9.129	2	107.4353	1.008	30	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[5a,6]HH)(N[6]C[6]C)(H)	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OC)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[5a,6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OC){3|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.7140	2.169	2	107.7140	4.706	2	107.7140	4.706	2	107.7140	4.706	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:4:3:	4:	C[6,6]-4:C[5,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]N[6]H)(C[6]C[6]HH)(COO)	H(C[6,6]C[5,6]C[6,6]N[6])	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]N[6]H)(C[6]C[6]HH)(COO){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[5,6]C[6,6]N[6])	106.3560	0.000	1	106.3560	0.000	1	106.3560	0.000	1	106.3560	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.8690	0.000	1	105.8690	0.000	1	105.8690	0.000	1	105.6383	0.651	17	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.1030	0.000	1	106.1030	0.000	1	106.1030	0.000	1	105.6383	0.651	17	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.0410	0.000	1	104.0410	0.000	1	105.0728	1.019	5	105.6383	0.651	17	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.3050	0.000	1	104.5645	0.135	2	105.0728	1.019	5	105.6383	0.651	17	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.8240	0.000	1	104.5645	0.135	2	105.0728	1.019	5	105.6383	0.651	17	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.0970	0.512	2	106.0970	0.262	2	105.0728	1.019	5	105.6383	0.651	17	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.1690	0.000	1	104.1690	0.000	1	105.8515	0.446	10	105.6383	0.651	17	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.9890	0.000	1	105.9890	0.000	1	105.8515	0.446	10	105.6383	0.651	17	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6410	0.000	1	105.9314	0.169	5	105.8515	0.446	10	105.6383	0.651	17	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.7540	0.126	4	105.9314	0.169	5	105.8515	0.446	10	105.6383	0.651	17	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HO)(CCHH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HO)(CCHH){1|C<4>,3|C<3>,3|H<1>,3|O<2>}	H(C[6,6]C[6,6]C[6]2)	106.3320	0.000	1	106.3320	0.000	1	105.8515	0.446	10	105.6383	0.651	17	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.1840	0.000	2	106.1840	0.000	2	105.8515	0.446	10	105.6383	0.651	17	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:2:2:1:	4:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6]O[6]2H)(COO)(H)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[5a,6])(O[6]C[6,6a])(H)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6]O[6]2H)(COO)(H){4|C<3>}	C[6,6](C[6,6]C[6,6]CH)(O[6]C[5a,6])(O[6]C[6,6a])(H){1|H<1>,1|N<3>,3|C<3>}	H(C[6,6]C[6,6]2C)	107.8730	0.000	1	107.8730	0.000	1	108.1580	0.162	2	108.1580	0.162	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:2:2:1:	4:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]O[6]2H)(COO)(H)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(O[6]C[6])(H)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]O[6]2H)(COO)(H){4|C<3>}	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(O[6]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6,6]C[6,6]2C)	108.4430	0.000	1	108.4430	0.000	1	108.1580	0.162	2	108.1580	0.162	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:2:2:3:	4:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:O[6]-2:O[6]-2:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6]O[6]2C)(COO)(H)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[5a,6])(O[6]C[6,6a])(COO)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6]O[6]2C)(COO)(H){4|C<3>}	C[6,6](C[6,6]C[6,6]CH)(O[6]C[5a,6])(O[6]C[6,6a])(COO){1|H<1>,1|N<3>,3|C<3>}	H(C[6,6]C[6,6]2C)	108.7060	0.000	1	108.7060	0.000	1	108.7060	0.000	1	108.7060	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:2:3:4:	4:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]C)(CCO)(H)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]C)(CCO)(H){3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|S<1>,2|C<3>}	H(C[6,6]C[6,6]2C)	107.9715	0.210	2	107.9715	0.044	2	108.8560	1.613	7	108.8560	1.613	7	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:2:3:4:	4:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[6]O[6]C)(CCO)(H)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[6]O[6]C)(CCO)(H){2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	H(C[6,6]C[6,6]2C)	107.9910	0.000	1	107.9910	0.000	1	108.8560	1.613	7	108.8560	1.613	7	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:2:3:4:	4:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[6]O[6]C)(COO)(H)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]C)(CH3)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[6]O[6]C)(COO)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]C)(CH3){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	H(C[6,6]C[6,6]2C)	108.1420	0.000	1	108.1420	0.000	1	108.8560	1.613	7	108.8560	1.613	7	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:2:3:4:	4:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[6]O[6]C)(COO)(H)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[6]O[6]C)(COO)(H){1|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3){1|H<1>,1|N<2>,1|S<1>,2|C<3>}	H(C[6,6]C[6,6]2C)	109.4990	0.000	1	109.9720	1.538	3	108.8560	1.613	7	108.8560	1.613	7	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:2:3:4:	4:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[6]O[6]C)(COO)(H)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[6]O[6]C)(COO)(H){1|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	H(C[6,6]C[6,6]2C)	111.3790	0.000	1	109.9720	1.538	3	108.8560	1.613	7	108.8560	1.613	7	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:2:3:4:	4:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[6]O[6]C)(COO)(H)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[6]O[6]C)(COO)(H){2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6,6]C[6,6]2C)	109.0380	0.000	1	109.9720	1.538	3	108.8560	1.613	7	108.8560	1.613	7	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6,6a]O)(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]CH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]CH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3380	0.000	1	108.3380	0.000	1	107.7450	0.367	3	107.6336	0.207	5	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6,6a]O)(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HN)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HN)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1270	0.000	1	107.1270	0.000	1	107.7450	0.367	3	107.6336	0.207	5	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]CH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]CH)(C[6]C[6]O)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7700	0.000	1	107.7700	0.000	1	107.7450	0.367	3	107.6336	0.207	5	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:2:4:1:	4:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4665	0.016	2	107.4665	0.000	2	107.4665	0.000	2	107.6336	0.207	5	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:2:4:2:	4:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(OH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.5340	0.000	1	105.5340	0.000	1	105.5340	0.000	1	105.5340	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	106.7480	0.000	1	106.7480	0.000	1	106.7480	0.000	1	106.7480	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:1:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H){2|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.3130	0.000	1	108.0399	1.272	23	108.0095	1.239	24	108.0704	1.226	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:1:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H){2|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.0275	1.153	22	108.0399	1.272	23	108.0095	1.239	24	108.0704	1.226	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:1:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(COO)(H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(COO)(H){2|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.3110	0.000	1	107.3110	0.000	1	108.0095	1.239	24	108.0704	1.226	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2{1|C<4>,1|N<3>,1|O<1>,1|S<1>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.5080	0.000	1	109.5080	0.000	1	109.5080	0.000	1	108.0704	1.226	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]N[5]H)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[6]N[6]H)(N[6,6]C[6]2)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]N[5]H)(N[6]C[6]C)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(N[6,6]C[6]2)(H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.0930	0.000	1	108.0930	0.000	1	108.0930	0.000	1	108.0704	1.226	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4200	0.000	1	107.4200	0.000	1	107.4200	0.000	1	107.9410	0.543	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6]HO)(N[6]C[6,6a]H)(H)	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]C)(O[6]C[6,6])(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6]HO)(N[6]C[6,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]C)(O[6]C[6,6])(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.4620	0.000	1	108.4620	0.000	1	108.4620	0.000	1	107.9410	0.543	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:2:2:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O[6]-2:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(O[6]N[6])(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(O[6]N[6])(OH){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.0370	0.000	1	109.0370	0.000	1	109.0370	0.000	1	109.0370	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:2:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3){3|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.9360	0.000	1	108.9360	0.000	1	108.9360	0.000	1	108.9360	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:3:1:	4:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(CCO)(H)	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]H)(N[6]C[6]H)(H)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(CCO)(H){2|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]H)(N[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]2C)	107.3355	0.650	2	107.3355	0.422	2	107.3355	0.422	2	108.0032	2.106	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6a]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6a]O)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	109.1925	2.416	2	109.1925	5.838	2	108.3370	2.923	4	108.0032	2.106	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]H)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]H)(H){2|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	107.4815	0.056	2	107.4815	0.003	2	108.3370	2.923	4	108.0032	2.106	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	105.6140	0.034	2	105.6140	0.001	2	105.6140	0.001	2	105.4476	0.079	7	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6]2C)(C[6]O[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]C)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6]2C)(C[6]O[6]O)(H){1|O<2>,2|C<3>,2|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]C)(C[6]C[6]O)(CH3){1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	105.5170	0.090	4	105.5170	0.008	4	105.3810	0.099	5	105.4476	0.079	7	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]O[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]O[6]O)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	104.8370	0.000	1	104.8370	0.000	1	105.3810	0.099	5	105.4476	0.079	7	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CCH)(H)	C[6,6](C[6,6]C[6,6]CH)(C[6]N[5a,6]O)(C[6]O[6]CH)(H)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CCH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6,6](C[6,6]C[6,6]CH)(C[6]N[5a,6]O)(C[6]O[6]CH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6,6]C[6,6]2C)	108.1020	0.000	1	108.1020	0.000	1	108.1020	0.000	1	107.8750	1.861	13	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[5,6,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HO)(H){1|C<2>,1|O<1>,3|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.5190	0.000	1	106.5190	0.000	1	106.5190	0.000	1	107.8750	1.861	13	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	109.4380	0.000	1	108.2080	3.026	2	108.2080	3.026	2	107.8750	1.861	13	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.9780	0.000	1	108.2080	3.026	2	108.2080	3.026	2	107.8750	1.861	13	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6a]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6a]O)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]2C[6])	109.4820	2.667	2	109.4820	7.114	2	109.4820	7.114	2	107.8750	1.861	13	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6,6]H)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,9|H<1>}	H(C[6,6]C[6,6]2C[6])	107.8240	0.000	1	107.8240	0.000	1	107.9958	0.031	4	107.8750	1.861	13	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,2|O<1>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.9635	0.080	2	108.0530	0.027	3	107.9958	0.031	4	107.8750	1.861	13	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	108.2320	0.000	1	108.0530	0.027	3	107.9958	0.031	4	107.8750	1.861	13	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]N)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]N)(H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9120	0.000	1	106.9120	0.000	1	106.9120	0.000	1	107.8750	1.861	13	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]HO)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]HO)(C[6]C[6]O)(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.9480	0.000	1	105.9480	0.000	1	105.9480	0.000	1	107.8750	1.861	13	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HO)(H){2|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5310	0.000	1	107.5310	0.000	1	107.5310	0.000	1	107.8750	1.861	13	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:4:2:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]O)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(OH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]O)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(OH){1|N<3>,2|C<4>,2|O<1>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.6560	1.149	3	106.8170	0.771	6	106.8170	0.771	6	106.8170	0.771	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:4:2:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]O)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(OH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]O)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|N<3>,2|O<1>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.9780	0.729	3	106.8170	0.771	6	106.8170	0.771	6	106.8170	0.771	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:4:3:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.8160	0.000	1	107.8160	0.000	1	107.8160	0.000	1	108.0807	0.069	3	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]O){2|C<4>,3|C<3>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0840	0.000	1	108.0840	0.000	1	108.2130	0.033	2	108.0807	0.069	3	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6a]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6a]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6,6](C[6,6]C[6]2H)(C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O){1|N<3>,2|O<1>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3420	0.000	1	108.3420	0.000	1	108.2130	0.033	2	108.0807	0.069	3	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.1447	0.395	6	105.1447	0.156	6	106.3773	3.245	11	106.6205	2.560	15	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	105.2180	0.000	1	105.2180	0.000	1	106.3773	3.245	11	106.6205	2.560	15	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	107.9410	0.000	1	108.5160	0.970	4	106.3773	3.245	11	106.6205	2.560	15	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	108.7077	1.111	3	108.5160	0.970	4	106.3773	3.245	11	106.6205	2.560	15	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]C)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(CC[6a]HH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]C)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(CC[6a]HH){1|N<3>,1|O<1>,2|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	107.8530	0.000	1	107.8530	0.000	1	107.8530	0.000	1	106.6205	2.560	15	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[5,6]-3:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[5,3x6]C[6]H)(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,3x6]C[6]H)(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(CH3){2|C<3>,2|O<2>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.6510	0.000	1	107.6510	0.000	1	107.6510	0.000	1	106.6205	2.560	15	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-4:S-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2S)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]O)(C[6]C[6]HH)(SC[6a]OO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2S)(C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]O)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6370	0.000	1	106.6370	0.000	1	106.6370	0.000	1	106.6205	2.560	15	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:4:4:	4:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5a,6]O)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5a,6]O)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0160	0.000	1	107.0160	0.000	1	107.0160	0.000	1	106.6205	2.560	15	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	B[6,6,6a]-4:C[6,6]-4:C[6a]-3:H-1:	B[6,6,6a]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6,6a]C[5,6,6a]2C[6a])(C[6,6]B[6,6,6a]HH)(C[6a]C[6a]2)(H)	C[6,6](B[6,6,6a]N[5,6,6a]2C[6a])(C[6,6]B[6,6,6a]C[6a]H)(H)2	H(C[6,6]B[6,6,6a]C[6,6]C[6a])	C[6,6](B[6,6,6a]C[5,6,6a]2C[6a])(C[6,6]B[6,6,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,2|N<3>,2|O<2>,5|C<3>}	C[6,6](B[6,6,6a]N[5,6,6a]2C[6a])(C[6,6]B[6,6,6a]C[6a]H)(H)2{2|C<4>,7|C<3>}	H(C[6,6]B[6,6,6a]C[6,6]C[6a])	106.7120	0.040	2	106.7120	0.002	2	106.4863	0.154	3	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	B[6,6,6a]-4:C[6,6]-4:C[6a]-3:H-1:	B[6,6,6a]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]HH)(C[6a]C[6a]2)(H)	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C[6a]H)(H)2	H(C[6,6]B[6,6,6a]C[6,6]C[6a])	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,2|N<3>,7|C<3>}	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C[6a]H)(H)2{2|N<3>,7|C<3>}	H(C[6,6]B[6,6,6a]C[6,6]C[6a])	106.0350	0.000	1	106.0350	0.000	1	106.4863	0.154	3	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(COO)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(COO)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.6160	0.000	1	107.5685	0.005	2	108.4858	0.460	24	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(COO)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(COO)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.5210	0.000	1	107.5685	0.005	2	108.4858	0.460	24	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(CC[6a]O)(H)	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(CC[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.3110	0.324	3	108.3110	0.105	3	108.4858	0.460	24	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(COO)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(COO)(H){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(H)2{1|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]C)	110.0520	0.000	1	110.0520	0.000	1	108.4858	0.460	24	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(COO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(COO)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|O<2>,2|C<3>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]C)	109.2000	0.000	1	109.2000	0.000	1	108.4858	0.460	24	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCC)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|C<2>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|H<1>,2|C<2>,2|C<4>}	H(C[6,6]C[3x6]C[6,6]C)	109.2350	0.000	1	109.2350	0.000	1	108.4858	0.460	24	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCO)(H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.4410	0.000	1	108.4410	0.000	1	108.4858	0.460	24	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CC[6a]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CC[6a]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.3985	0.667	2	108.3985	0.445	2	108.4858	0.460	24	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	109.7370	0.000	1	109.7370	0.000	1	108.4858	0.460	24	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(CNO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(CNO)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.0590	0.890	2	108.0590	0.791	2	108.4858	0.460	24	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(COO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(COO)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.5715	0.228	2	108.5715	0.052	2	108.4858	0.460	24	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(COO)(H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(COO)(H){2|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]C)	108.5220	0.000	1	108.5220	0.000	1	108.4858	0.460	24	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(COO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(COO)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|N<4>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.7920	0.000	1	107.7920	0.000	1	108.4858	0.460	24	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCO)(H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCO)(H){2|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|N<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.3470	0.000	1	108.3470	0.000	1	108.4858	0.460	24	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCO)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|N<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.6600	0.000	1	108.0530	0.309	2	108.4858	0.460	24	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCO)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.4460	0.000	1	108.0530	0.309	2	108.4858	0.460	24	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]O)(C[6,6]C[3x6]HH)(COO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6]O)(C[6,6]C[3x6]HH)(COO)(H){1|C<3>,1|C<4>,1|W<7>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|H<1>,1|N<2>,1|W<7>,2|O<2>}	H(C[6,6]C[3x6]C[6,6]C)	108.4400	0.297	2	108.4400	0.088	2	108.4858	0.460	24	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]O)(C[6,6]C[3x6]HH)(COO)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6]O)(C[6,6]C[3x6]HH)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	H(C[6,6]C[3x6]C[6,6]C)	109.2190	0.000	1	109.2190	0.000	1	108.4858	0.460	24	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[5,3x6]HH)(CCC)(H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[5,3x6]HH)(CCC)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]C)	108.7130	0.000	1	108.7130	0.000	1	108.7130	0.000	1	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CCO)(H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CCO)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]CH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]C)	107.9290	0.000	1	107.7325	0.077	2	108.1633	0.557	4	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CCO)(H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CCO)(H){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]C)	107.5360	0.000	1	107.7325	0.077	2	108.1633	0.557	4	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(COO)(H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(COO)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]CH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]C)	108.5940	0.923	2	108.5940	0.853	2	108.1633	0.557	4	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2B)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H){1|B<4>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2B)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.7115	0.650	2	107.7115	0.422	2	107.7356	1.288	54	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2C)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.3133	1.054	10	107.3133	1.112	10	107.7356	1.288	54	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.8433	1.178	41	107.8433	1.388	41	107.7356	1.288	54	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(COO)(H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(COO)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.5920	0.000	1	107.5920	0.000	1	107.7356	1.288	54	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]HH)(COO)(H)	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]HH)(COO)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]C)	106.3620	0.000	1	106.3620	0.000	1	106.3620	0.000	1	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H)	C[6,6](N[3x6]C[6,6]2Al)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H){1|Al<5>,2|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2Al)(C[6,6]C[3x6]CH)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.0475	0.482	2	107.0475	0.232	2	107.0475	0.232	2	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	C[6,6](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6]C[3x6]C[6a]H)(H)2	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6]C[3x6]C[6a]H)(H)2{1|C<4>,1|H<1>,6|C<3>}	H(C[6,6]C[3x6]C[6,6]C[6a])	106.8710	0.000	1	106.8710	0.000	1	107.2154	0.086	5	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]C[6a]H)(H)2	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]C[6a]H)(H)2{1|C<4>,5|C<3>}	H(C[6,6]C[3x6]C[6,6]C[6a])	107.3923	0.221	3	107.3015	0.066	4	107.2154	0.086	5	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]C[6a]H)(H)2	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]C[6a]H)(H)2{1|C<4>,5|C<3>}	H(C[6,6]C[3x6]C[6,6]C[6a])	107.0290	0.000	1	107.3015	0.066	4	107.2154	0.086	5	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[5,3x6]HH)(C[6a]C[6a]2)(H)	C[6,6](C[5,3x6]N[5,6,6]O[6,6]C[5])(C[6,6]C[3x6]C[6a]H)(H)2	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[5,3x6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[5,3x6]N[5,6,6]O[6,6]C[5])(C[6,6]C[3x6]C[6a]H)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]C[6a])	108.0590	0.000	1	108.0590	0.000	1	108.0590	0.000	1	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){1|C<4>,2|C<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(H)2{1|C<4>,1|H<1>,2|C<2>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]C[6a])	106.7580	0.000	1	106.7580	0.000	1	107.3737	0.262	7	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2Cl)(H)2	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){2|Cl<1>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2Cl)(H)2{2|Cl<1>,2|O<2>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]C[6a])	107.6583	0.662	3	107.4763	0.226	6	107.3737	0.262	7	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2Cl)(H)2	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){2|Cl<1>,1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2Cl)(H)2{2|Cl<1>,1|O<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]C[6a])	107.2943	0.167	3	107.4763	0.226	6	107.3737	0.262	7	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(NOO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(H)2	H(C[6,6]C[3x6]C[6,6]N)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(NOO)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6,6]C[3x6]C[6,6]N)	108.6635	0.281	2	108.6635	0.079	2	108.3844	0.164	12	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(NPdC)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(H)2	H(C[6,6]C[3x6]C[6,6]N)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(NPdC)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]N)	108.6192	0.298	4	108.6192	0.089	4	108.3844	0.164	12	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(NCH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(H)2	H(C[6,6]C[3x6]C[6,6]N)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(NCH)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]N)	108.1348	0.378	6	108.1348	0.143	6	108.3844	0.164	12	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]N[5]H)(H)2	H(C[6,6]C[3x6]C[6,6]N[5])	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H){1|C<3>,1|O<2>,2|O<1>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]N[5]H)(H)2{1|C<4>,1|N<3>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]N[5])	107.3003	0.600	3	107.3003	0.360	3	108.3161	1.869	7	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N[5]H)(H)2	H(C[6,6]C[3x6]C[6,6]N[5])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N[5]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]N[5])	109.5060	0.000	1	109.3270	0.064	2	108.3161	1.869	7	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N[5]H)(H)2	H(C[6,6]C[3x6]C[6,6]N[5])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N[5]H)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]N[5])	109.1480	0.000	1	109.3270	0.064	2	108.3161	1.869	7	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]N[5]H)(H)2	H(C[6,6]C[3x6]C[6,6]N[5])	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H){1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]N[5]H)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]N[5])	108.8290	2.182	2	108.8290	4.762	2	108.3161	1.869	7	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(N[6]C[6]2)(H)	C[6,6](C[6,6]C[3x6]N[6]H)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]N[6])	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(N[6]C[6]2)(H){1|C<3>,1|O<1>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[3x6]N[6]H)(N[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]N[6])	108.0220	0.000	1	108.0220	0.000	1	108.0220	0.000	1	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CCO)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CH)(H)2	H(C[6,6]C[4x6]C[6,6]C)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CCO)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|O<2>}	H(C[6,6]C[4x6]C[6,6]C)	108.5290	0.000	1	108.5290	0.000	1	107.7242	0.573	4	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(COO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(H)2	H(C[6,6]C[4x6]C[6,6]C)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(COO)(H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[4x6]C[6,6]C)	107.4095	0.919	2	107.4560	0.428	3	107.7242	0.573	4	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(COO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(H)2	H(C[6,6]C[4x6]C[6,6]C)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(COO)(H){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[4x6]C[6,6]C)	107.5490	0.000	1	107.4560	0.428	3	107.7242	0.573	4	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[4x6]C[6a]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[4x6]C[6,6]C[6a])	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[4x6]C[6a]H)(C[3x6]C[6,6]2H)(H)2{1|C<4>,1|H<1>,2|O<2>,4|C<3>}	H(C[6,6]C[4x6]C[6,6]C[6a])	106.6660	0.149	3	106.6660	0.022	3	106.6660	0.022	3	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C-3:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(COO)(H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[5,3x6]CH)(H)2	H(C[6,6]C[5,3x6]C[6,6]C)	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(COO)(H){2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[5,3x6]CH)(H)2{2|N<3>,3|C<4>,5|H<1>}	H(C[6,6]C[5,3x6]C[6,6]C)	106.4200	0.000	1	106.4560	0.003	2	106.4560	0.003	2	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C-3:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(COO)(H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[5,3x6]CH)(H)2	H(C[6,6]C[5,3x6]C[6,6]C)	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(COO)(H){2|H<1>,3|C<3>,4|C<4>}	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[5,3x6]CH)(H)2{2|N<3>,3|C<4>,5|H<1>}	H(C[6,6]C[5,3x6]C[6,6]C)	106.4920	0.000	1	106.4560	0.003	2	106.4560	0.003	2	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C-3:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[5,3x6]HH)(COO)(H)	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]CH)(H)2	H(C[6,6]C[5,3x6]C[6,6]C)	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[5,3x6]HH)(COO)(H){2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]CH)(H)2{1|C<3>,2|C<4>,2|N<3>,5|H<1>}	H(C[6,6]C[5,3x6]C[6,6]C)	106.4680	0.000	1	106.4680	0.000	1	106.4680	0.000	1	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H)	C[6,6](C[6,6]C[5,3x6]HN)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,3x6]C[6,6]N)	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,3x6]HN)(C[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[5,3x6]C[6,6]N)	108.0520	0.000	1	108.2345	0.067	2	108.2345	0.067	2	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H)	C[6,6](C[6,6]C[5,3x6]HN)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,3x6]C[6,6]N)	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H){1|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,3x6]HN)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[5,3x6]C[6,6]N)	108.4170	0.000	1	108.2345	0.067	2	108.2345	0.067	2	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,4x6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H)	C[6,6](C[6,6]C[5,4x6]HN)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,4x6]C[6,6]N)	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H){2|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,4x6]HN)(C[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[5,4x6]C[6,6]N)	111.4470	0.000	1	111.4470	0.000	1	111.4470	0.000	1	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,5,6]C[5,5]N[5,6]N[5])(C[6,6]C[6,6]HH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5,5,6]C[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[5,5,6]C[6,6]C[6])	C[6,6](C[5,5,6]C[5,5]N[5,6]N[5])(C[6,6]C[6,6]HH)(C[6]C[6]H)(H){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[5,5,6]C[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	H(C[6,6]C[5,5,6]C[6,6]C[6])	109.8830	0.000	1	109.8830	0.000	1	109.8830	0.000	1	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,5,6]C[5,5,6]N[5]O[5])(C[6,6]C[6,6]HH)(N[6]C[6]H)(H)	C[6,6](C[6,6]C[5,5,6]N[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[5,5,6]C[6,6]N[6])	C[6,6](C[5,5,6]C[5,5,6]N[5]O[5])(C[6,6]C[6,6]HH)(N[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[5,5,6]N[6]H)(C[6,6]C[6]2H)(H)2{3|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6,6]C[5,5,6]C[6,6]N[6])	108.9240	0.000	1	108.9240	0.000	1	108.9240	0.000	1	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,5,6]H)(C[6,6]C[5,6]C[6]H)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(H){2|C<4>,2|N<3>,3|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,5,6]H)(C[6,6]C[5,6]C[6]H)(H)2{1|O<2>,3|C<4>,4|C<3>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.9830	0.000	1	108.9830	0.000	1	108.9830	0.000	1	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:B-3:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(BC[6,6]O)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]BH)(H)2	H(C[6,6]C[6,6]2B)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(BC[6,6]O)(H){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]BH)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[6,6]2B)	105.9780	0.803	2	105.9780	0.645	2	105.9780	0.645	2	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6]C[6]C)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6]C[6]C)(H){1|N<3>,1|N<4>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	108.9763	0.476	52	109.1468	0.936	61	109.1468	0.936	61	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6]C[6]C)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6]C[6]C)(H){1|O<2>,2|C<4>,2|N<3>,5|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	110.1317	2.072	9	109.1468	0.936	61	109.1468	0.936	61	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:F-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]FH)(C[6,6]C[6]3)(C[6]C[6]F)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6]O[6]H)(F)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]FH)(C[6,6]C[6]3)(C[6]C[6]F)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6]O[6]H)(F)(H){1|F<1>,2|C<4>,3|C<3>}	H(C[6,6]C[6,6]2C[6])	109.6940	0.000	1	109.6940	0.000	1	109.6940	0.000	1	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[5,6]N[6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[5,6]N[6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|N<2>,2|C<3>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	106.8140	0.000	1	106.8140	0.000	1	109.1573	3.810	16	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6]C)(H){1|Al<5>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]2C[6])	109.4280	0.107	2	109.4280	0.012	2	109.1573	3.810	16	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]C)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]C)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{1|O<1>,2|N<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]2C[6])	107.7960	0.000	1	107.7960	0.000	1	109.1573	3.810	16	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6,6]H)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	111.5720	0.000	1	110.4880	2.350	2	109.1573	3.810	16	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6,6]H)(H){4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{1|C<3>,1|C<4>,2|N<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	109.4040	0.000	1	110.4880	2.350	2	109.1573	3.810	16	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{1|H<1>,1|O<2>,2|C<4>,2|N<3>,2|O<1>}	H(C[6,6]C[6,6]2C[6])	110.6960	0.000	1	109.7957	5.220	4	109.1573	3.810	16	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{2|C<4>,2|H<1>,2|N<3>,2|O<1>}	H(C[6,6]C[6,6]2C[6])	107.9370	0.037	2	109.7957	5.220	4	109.1573	3.810	16	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{1|H<1>,1|O<2>,2|C<4>,2|N<3>,2|O<1>}	H(C[6,6]C[6,6]2C[6])	112.6130	0.000	1	109.7957	5.220	4	109.1573	3.810	16	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]O)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]O)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{1|H<1>,1|O<2>,2|C<4>,2|N<3>,2|O<1>}	H(C[6,6]C[6,6]2C[6])	111.7600	0.000	1	108.8153	5.152	6	109.1573	3.810	16	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]O)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]O)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{2|C<4>,2|N<3>,2|O<1>,2|O<2>}	H(C[6,6]C[6,6]2C[6])	107.3065	0.238	2	108.8153	5.152	6	109.1573	3.810	16	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]O)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]O)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{1|H<1>,1|O<2>,2|C<4>,2|N<3>,2|O<1>}	H(C[6,6]C[6,6]2C[6])	111.7210	0.000	1	108.8153	5.152	6	109.1573	3.810	16	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]O)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]O)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{2|C<4>,2|N<3>,2|O<1>,2|O<2>}	H(C[6,6]C[6,6]2C[6])	107.3990	0.148	2	108.8153	5.152	6	109.1573	3.810	16	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:N-3:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NNiC)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(H)2	H(C[6,6]C[6,6]2N)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NNiC)(H){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[6,6]2N)	107.2994	0.553	16	107.2994	0.305	16	107.2994	0.305	16	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:N[5]-3:H-1:	C[6,6]-4:C[4,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[5]C[5]2)(H)	C[6,6](C[6,6]C[6,6]N[5]H)(C[4,6,6]C[4,6]2H)(H)2	H(C[6,6]C[6,6]2N[5])	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[5]C[5]2)(H){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]N[5]H)(C[4,6,6]C[4,6]2H)(H)2{1|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]2N[5])	105.9070	0.000	1	105.9070	0.000	1	105.9070	0.000	1	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[4,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(H)2	H(C[6,6]C[6,6]2N[6])	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[6]C[6]2)(H){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(H)2{1|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]2N[6])	105.3480	0.000	1	105.3480	0.000	1	105.3480	0.000	1	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(C[6]C[5,6,6]CH)(C[6]C[6]C)(H)	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]HH)(C[6]C[5,6,6]CH)(C[6]C[6]C)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(C[6,6]C[6]2H)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.8000	0.000	1	107.8000	0.000	1	108.2585	0.420	2	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(C[6]N[5,6]CH)(C[6]C[6]C)(H)	C[6,6](C[3x6]C[5,5,6,6]N[6,6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]HH)(C[6]N[5,6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[3x6]C[5,5,6,6]N[6,6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.7170	0.000	1	108.7170	0.000	1	108.2585	0.420	2	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6,6]HH)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6](C[5,5,6,6]C[5,5,6]N[5,6]N[5])(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,5,6,6]HH)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|N<3>,3|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6]N[5,6]N[5])(C[6,6]C[6]2H)(H)2{2|H<1>,4|C<3>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.2580	0.000	1	107.2580	0.000	1	107.2580	0.000	1	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|H<1>,1|O<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	109.7510	0.000	1	109.1450	0.734	2	108.8543	0.373	4	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H){1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|H<1>,1|O<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.5390	0.000	1	109.1450	0.734	2	108.8543	0.373	4	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]HH)(C[6]C[6]C)(H){1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]2H)(H)2{1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5635	0.217	2	108.5635	0.047	2	108.8543	0.373	4	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:Br-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]BrH)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)2(Br)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]BrH)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)2(Br)(H){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.8500	0.000	1	108.8500	0.000	1	108.8500	0.000	1	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[3,6,6]HO)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[3,6,6]HO)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.1110	0.000	1	109.1110	0.000	1	109.0541	1.545	36	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CC)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CC)(C[6]C[6]C)(H){1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2{1|N<3>,1|S<4>,2|C<3>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.1290	0.000	1	108.1290	0.000	1	109.0541	1.545	36	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[5a,6]C)(H)	C[6,6](C[6,6]C[5a,6]N[5a,6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[5a,6]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6]C[5a,6]N[5a,6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,1|N<3>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.5830	0.000	1	107.5830	0.000	1	109.0541	1.545	36	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]C)(H)	C[6,6](C[6,6]N[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]C)(H){1|C<3>,2|N<3>,3|H<1>}	C[6,6](C[6,6]N[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.6773	0.195	3	108.6773	0.038	3	109.0541	1.545	36	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CC)(C[6]C[6]O)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)2(H)2{1|B<3>,1|H<1>,1|O<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.8730	0.000	1	107.8730	0.000	1	109.0541	1.545	36	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)2(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[6,6]C[6,6]C[6]2)	108.4070	0.105	2	108.4070	0.011	2	109.0541	1.545	36	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|O<1>,1|S<4>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	110.9890	0.000	1	110.9890	0.000	1	109.0541	1.545	36	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]N[6]O)(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]N[6]O)(H){1|S<4>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)2(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5137	0.055	3	108.5137	0.003	3	109.0541	1.545	36	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.6750	0.000	1	109.1903	0.210	3	109.0541	1.545	36	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.4480	0.147	2	109.1903	0.210	3	109.0541	1.545	36	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(H){3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)2(H)2{1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8990	0.000	1	107.8990	0.000	1	109.0541	1.545	36	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)2(H)2{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	110.9618	1.158	6	110.3670	2.174	8	109.0541	1.545	36	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)2(H)2{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5825	0.139	2	110.3670	2.174	8	109.0541	1.545	36	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6,6](C[6,6]C[6]2Si)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2Si)(C[6,6]C[6]2H)(H)2{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4075	0.349	2	108.4075	0.122	2	109.0541	1.545	36	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]S)(H)	C[6,6](C[6,6]C[6]2Si)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]S)(H){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2Si)(C[6,6]C[6]2H)(H)2{1|C<4>,1|N<3>,1|O<1>,1|S<1>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3200	0.000	1	108.3200	0.000	1	109.0541	1.545	36	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HO)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HO)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)2(H)2{2|C<3>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.0280	0.069	2	109.0280	0.005	2	109.0541	1.545	36	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RhH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RhH)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]2H)2(H)2{1|Rh<6>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9230	0.000	1	106.9230	0.000	1	109.0541	1.545	36	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)2(H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.4640	0.000	1	108.4640	0.000	1	109.0541	1.545	36	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]N[6]O)(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]N[6]O)(H){1|C<3>,1|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)2(H)2{1|H<1>,1|O<2>,2|C<4>,2|N<3>,2|O<1>}	H(C[6,6]C[6,6]C[6]2)	108.4460	0.000	1	108.4460	0.000	1	109.0541	1.545	36	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CO)(C[6]N[6]O)(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CO)(C[6]N[6]O)(H){1|C<3>,1|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)2(H)2{1|H<1>,1|O<2>,2|C<4>,2|N<3>,2|O<1>}	H(C[6,6]C[6,6]C[6]2)	108.4250	0.000	1	109.9135	4.431	2	109.0541	1.545	36	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CO)(C[6]N[6]O)(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CO)(C[6]N[6]O)(H){1|C<3>,1|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)2(H)2{2|C<4>,2|N<3>,2|O<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]2)	111.4020	0.000	1	109.9135	4.431	2	109.0541	1.545	36	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)(C[6]C[6]C)(H){1|O<1>,1|S<4>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)2{1|N<3>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.6180	0.000	1	108.6180	0.000	1	109.0541	1.545	36	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:I-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HI)(C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]O[6]H)(C[6,6]C[6]2H)(H)(I)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HI)(C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]N[6]O[6]H)(C[6,6]C[6]2H)(H)(I){2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	109.4680	0.000	1	109.4680	0.000	1	109.4680	0.000	1	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HO)(N[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HO)(N[6]C[6]H)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	109.4200	0.000	1	109.4200	0.000	1	109.4200	0.000	1	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:Cl-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]ClH)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[6]N[6]H)2(Cl)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]ClH)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[6,6](C[6,6]C[6]N[6]H)2(Cl)(H){2|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	108.8010	0.154	4	108.8010	0.024	4	108.8010	0.024	4	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(N[6]C[6]S)(H)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6]N[6]H)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(N[6]C[6]S)(H){1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6]N[6]H)(H)2{1|S<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.5400	0.000	1	109.5400	0.000	1	108.9940	0.933	4	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(H)2{2|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.9800	0.000	1	108.9800	0.000	1	108.9940	0.933	4	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|O<1>,1|S<4>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.8140	0.000	1	109.8140	0.000	1	108.9940	0.933	4	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[6a]C[6]2)(C[6,6]C[6]N[6]H)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)(N[6]C[6]C)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6a]C[6]2)(C[6,6]C[6]N[6]H)(H)2{1|N<3>,2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.6420	0.000	1	107.6420	0.000	1	108.9940	0.933	4	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:C[6]-3:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(C[6]C[6]2)(H)	C[6,6](C[6,6]N[3x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]N[3x6]C[6])	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(C[6]C[6]2)(H){1|C<3>,1|N<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]N[3x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]C[6])	107.1135	0.282	2	107.1135	0.080	2	107.1135	0.080	2	108.3688	1.662	292	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(OH)(H)	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(C[6a]C[6a]2)(H){1|C<4>,3|C<3>,7|H<1>}	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(OH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6a])	106.6450	0.000	1	106.6450	0.000	1	106.6450	0.000	1	107.8857	1.868	24	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HO)(NHH)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(OH)(H)	H(C[6,6]C[3x6]C[6,6]N)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HO)(NHH)(H){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(OH)(H){1|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]N)	108.2710	0.000	1	108.2710	0.000	1	108.2710	0.000	1	107.8857	1.868	24	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(CCH)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]CH)(OH)(H)	H(C[6,6]C[5,3x6]C[6,6]C)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(CCH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]CH)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6,6]C[5,3x6]C[6,6]C)	108.2030	0.434	2	108.2030	0.188	2	108.2030	0.188	2	107.8857	1.868	24	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]N)(C[6,6]C[5,6]O[6]H)(CCH)(H)	C[6,6](C[5,6]C[5,6]C[5]O[5])(C[6,6]C[6,6]CH)(O[6]C[6])(H)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[5,6]C[6]N)(C[6,6]C[5,6]O[6]H)(CCH)(H){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6,6](C[5,6]C[5,6]C[5]O[5])(C[6,6]C[6,6]CH)(O[6]C[6])(H){1|N<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]2C)	107.6550	0.000	1	107.6550	0.000	1	107.6550	0.000	1	107.8857	1.868	24	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:N[5]-3:H-1:	C[6,6]-4:C[4,6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[5]C[5]2)(H)	C[6,6](C[6,6]C[6,6]N[5]H)(C[4,6,6]C[4,6]2H)(OH)(H)	H(C[6,6]C[6,6]2N[5])	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[5]C[5]2)(H){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]N[5]H)(C[4,6,6]C[4,6]2H)(OH)(H){4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2N[5])	105.9430	0.000	1	105.9430	0.000	1	105.9430	0.000	1	107.8857	1.868	24	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[4,6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(OH)(H)	H(C[6,6]C[6,6]2N[6])	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[6]C[6]2)(H){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(OH)(H){4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2N[6])	105.3440	0.000	1	105.3440	0.000	1	105.3440	0.000	1	107.8857	1.868	24	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6,6a]O)(H)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2H)(O[6]C[6,6a])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6,6a]O)(H){1|C<4>,6|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2H)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.0065	0.062	2	107.9177	0.026	3	107.9177	0.026	3	107.8857	1.868	24	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6,6a]O)(H)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2H)(O[6]C[6,6a])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6,6a]O)(H){1|C<4>,6|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2H)(O[6]C[6,6a])(H){1|C<4>,1|O<2>,2|O<1>,3|H<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.7400	0.000	1	107.9177	0.026	3	107.9177	0.026	3	107.8857	1.868	24	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6])(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.0930	0.000	1	109.0930	0.000	1	109.0930	0.000	1	107.8857	1.868	24	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HO)(C[6]C[5,6]HO)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[5,6]HO)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(OH)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2970	0.000	1	108.2970	0.000	1	108.2970	0.000	1	107.8857	1.868	24	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:S-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HS)(C[6]C[6]HO)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)2(SC[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HS)(C[6]C[6]HO)(C[6]C[6]O)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)2(SC[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	112.7230	0.000	1	112.7230	0.000	1	112.7230	0.000	1	107.8857	1.868	24	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9300	0.000	1	106.7610	0.057	2	107.3380	0.463	4	107.8857	1.868	24	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,2|C<2>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.5920	0.000	1	106.7610	0.057	2	107.3380	0.463	4	107.8857	1.868	24	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]C[6]O)(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.9150	0.000	2	107.9150	0.000	2	107.3380	0.463	4	107.8857	1.868	24	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6,6a]O)(H)	C[6,6](C[6]C[5,6]C[5a]H)(C[6,6]C[6]2H)(O[6]C[6,6a])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6](C[6]C[5,6]C[5a]H)(C[6,6]C[6]2H)(O[6]C[6,6a])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.2193	0.369	3	108.2193	0.136	3	108.2193	0.136	3	107.8857	1.868	24	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]O[6]H)(OH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]O[6]H)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.6810	0.000	1	107.6810	0.000	1	107.6810	0.000	1	107.8857	1.868	24	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|S<4>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.4480	0.000	1	107.4480	0.000	1	107.8120	1.134	3	107.8857	1.868	24	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]N[5]H)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]N[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]N[5]H)(N[6]C[6]C)(H){1|N<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]N[6]HH)(O[6]C[6])(H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	106.9770	0.000	1	106.9770	0.000	1	107.8120	1.134	3	107.8857	1.868	24	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(N[6]C[6]S)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(N[6]C[6]S)(H){2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|F<1>,1|O<2>,1|S<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.0110	0.000	1	109.0110	0.000	1	107.8120	1.134	3	107.8857	1.868	24	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:2:2:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CCH)(H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CN)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CCH)(H){1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CN)2{1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.0090	0.623	4	107.0090	0.388	4	107.0090	0.388	4	107.7076	2.033	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:2:2:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[3x6]-4:C-2:C-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2O)(CN)2	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2O)(CN)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6a])	106.2070	0.000	1	106.2070	0.000	1	106.2070	0.000	1	107.7076	2.033	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:2:2:	4:	C[6,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:O[6]-2:N-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]N)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(O[6]C[6,6a])(NC)	H(C[6,6]C[6,6]2C[6a])	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]N)(C[6a]C[6a]2)(H){1|C<4>,5|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(O[6]C[6,6a])(NC){1|N<4>,2|H<1>,7|C<3>}	H(C[6,6]C[6,6]2C[6a])	106.5870	0.000	1	106.5870	0.000	1	106.5870	0.000	1	107.7076	2.033	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(OC)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(OC)2{3|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4910	0.000	1	108.4910	0.000	1	108.7581	0.064	9	107.7076	2.033	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)2(OC)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]2H)2(OC)2{4|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.0300	0.119	2	109.0300	0.014	2	108.7581	0.064	9	107.7076	2.033	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|H<1>,2|N<3>}	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2{3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.9920	0.000	1	108.7453	0.051	3	108.7581	0.064	9	107.7076	2.033	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.6960	0.000	1	108.7453	0.051	3	108.7581	0.064	9	107.7076	2.033	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2{3|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5480	0.000	1	108.7453	0.051	3	108.7581	0.064	9	107.7076	2.033	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]N)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]N)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2{1|N<3>,2|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.9980	0.000	1	108.9980	0.000	1	108.7581	0.064	9	107.7076	2.033	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)2(OC)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]2H)2(OC)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5800	0.000	1	108.5800	0.000	1	108.7581	0.064	9	107.7076	2.033	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)2(OC)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)2(OC)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4580	0.000	1	108.4580	0.000	1	108.7581	0.064	9	107.7076	2.033	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(O[6]C[6])(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6]HH)(C[6]O[6]O)(H){3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(O[6]C[6])(OH){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	102.5190	0.000	1	102.5190	0.000	1	102.5190	0.000	1	107.7076	2.033	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.7310	0.000	1	108.7310	0.000	1	108.6687	0.183	3	107.7076	2.033	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2{1|N<3>,2|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.2130	0.000	1	108.6375	0.360	2	108.6687	0.183	3	107.7076	2.033	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2{3|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.0620	0.000	1	108.6375	0.360	2	108.6687	0.183	3	107.7076	2.033	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:2:2:	4:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(OH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.5525	0.893	2	107.4600	0.542	7	107.4600	0.542	7	107.7076	2.033	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:2:2:	4:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(OH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3370	0.872	4	107.4600	0.542	7	107.4600	0.542	7	107.7076	2.033	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:2:2:	4:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(OH){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.7670	0.000	1	107.4600	0.542	7	107.4600	0.542	7	107.7076	2.033	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:2:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(O[6]C[6])(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]O)(H){2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	104.7440	0.000	1	104.7440	0.000	1	104.7440	0.000	1	105.9610	2.962	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:2:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]CH)(C[6]C[6,6a]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HO)(O[6]C[6,6a])(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]CH)(C[6]C[6,6a]O)(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HO)(O[6]C[6,6a])(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.1780	0.000	1	107.1780	0.000	1	107.1780	0.000	1	105.9610	2.962	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]CH)(CCH)(H)	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]CH)(CCH)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]CH)(CCH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]CH)(CCH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.8130	0.000	1	107.8130	0.000	1	107.0256	1.293	36	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(COO)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(COO)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(COO)(H){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(COO)(H){1|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]C)	106.4164	1.111	15	106.4164	1.235	15	107.0256	1.293	36	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CC[6a]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(COO)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CC[6a]O)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(COO)(H){2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.3360	0.000	1	108.3360	0.000	1	107.0256	1.293	36	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CN[5]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(COO)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CN[5]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(COO)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.8530	0.000	1	108.8530	0.000	1	107.0256	1.293	36	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(COO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CC[6a]O)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(COO)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CC[6a]O)(H){2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.4100	0.000	1	107.4100	0.000	1	107.0256	1.293	36	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(COO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CN[5]O)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(COO)(H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CN[5]O)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	105.7380	0.000	1	105.7380	0.000	1	107.0256	1.293	36	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(COO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(COO)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(COO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(COO)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.4079	0.916	16	107.4079	0.839	16	107.0256	1.293	36	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[4x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(COO)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(COO)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(COO)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(COO)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	106.1613	0.513	3	106.1613	0.263	3	106.1613	0.263	3	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[3x6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6,6a]2H)(COO)(H)	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6,6a]2H)(COO)(H){1|H<1>,6|C<3>}	H(C[6,6]C[3x6]C[6,6]C[6a])	107.2820	0.000	1	107.2820	0.000	1	106.9818	0.091	6	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[3x6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2C)(CHO)(H)	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H){3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2C)(CHO)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6a])	106.6150	0.000	1	106.6150	0.000	1	106.9818	0.091	6	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[3x6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2C)(CNO)(H)	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H){1|Br<1>,1|H<1>,1|O<1>,3|C<4>,4|C<3>}	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2C)(CNO)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6a])	107.0680	0.000	1	107.0680	0.000	1	106.9818	0.091	6	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[3x6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(COO)(H)	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(COO)(H){1|H<1>,2|O<2>,5|C<3>}	H(C[6,6]C[3x6]C[6,6]C[6a])	106.7680	0.000	1	106.7680	0.000	1	106.9818	0.091	6	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[3x6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2O)(CCO)(H)	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2O)(CCO)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]C[6a])	107.0790	0.399	2	107.0790	0.159	2	106.9818	0.091	6	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[3x6]-4:N-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HN)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(NOO)(H)	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HN)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(NOO)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6a])	106.9730	0.000	1	106.9730	0.000	1	106.9220	0.005	2	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[3x6]-4:N-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(NOO)(H)	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(NOO)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6a])	106.8710	0.000	1	106.8710	0.000	1	106.9220	0.005	2	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NCH)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NCH)(H)	H(C[6,6]C[3x6]C[6,6]N)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NCH)(H){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NCH)(H){1|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]N)	107.9690	0.014	2	107.9690	0.000	2	107.1142	4.611	4	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHH)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHS)(H)	H(C[6,6]C[3x6]C[6,6]N)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHH)(H){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHS)(H){1|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]N)	103.9240	0.000	1	103.9240	0.000	1	107.1142	4.611	4	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHS)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHH)(H)	H(C[6,6]C[3x6]C[6,6]N)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHS)(H){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHH)(H){1|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]N)	108.5950	0.000	1	108.5950	0.000	1	107.1142	4.611	4	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N[5]H)(N[5]C[5,6a]C[5])(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N[5]H)(N[5]C[5,6a]C[5])(H)	H(C[6,6]C[3x6]C[6,6]N[5])	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N[5]H)(N[5]C[5,6a]C[5])(H){1|Rh<6>,1|H<1>,1|N<3>,8|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N[5]H)(N[5]C[5,6a]C[5])(H){1|Rh<6>,1|H<1>,1|N<3>,8|C<3>}	H(C[6,6]C[3x6]C[6,6]N[5])	105.6540	2.017	2	105.6540	4.067	2	105.6540	4.067	2	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[4x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(COO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(COO)(H)	H(C[6,6]C[4x6]C[6,6]C)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(COO)(H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(COO)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[4x6]C[6,6]C)	108.0573	0.170	3	108.0573	0.029	3	108.0573	0.029	3	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[3x6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(CC[6a]O)(H)	C[6,6](C[6,6]C[5,3x6]CH)(C[3x6]C[6,6]2H)(CC[6a]O)(H)	H(C[6,6]C[5,3x6]C[6,6]C)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(CC[6a]O)(H){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,3x6]CH)(C[3x6]C[6,6]2H)(CC[6a]O)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[5,3x6]C[6,6]C)	108.0890	0.000	1	108.0890	0.000	1	108.0890	0.000	1	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2C[5])(C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(H)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]2C[5])(C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|O<2>,7|C<4>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(H){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	107.0350	0.000	1	107.0350	0.000	1	107.2685	0.109	2	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(H)	C[6,6](C[5,6,6]C[5,6]2C[5])(C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(H){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]2C[5])(C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|O<2>,7|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	107.5020	0.000	1	107.5020	0.000	1	107.2685	0.109	2	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.9910	0.158	3	107.9910	0.025	3	107.9910	0.025	3	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.7217	1.165	3	107.7217	1.356	3	106.9730	1.731	5	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|N<3>,3|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.7930	0.000	1	105.7930	0.000	1	106.9730	1.731	5	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2H)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2H)(C[6]C[6]C)(H){1|C<4>,2|O<1>,4|C<3>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(H){2|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.9070	0.000	1	105.9070	0.000	1	106.9730	1.731	5	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[3x6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6,6a]2H)(COO)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6,6a]2H)(COO)(H){1|H<1>,6|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	H(C[6,6]C[3x6]C[6,6]C)	108.1190	0.000	1	108.1190	0.000	1	108.3145	0.509	6	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[3x6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2C)(CHO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2C)(CHO)(H){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H){3|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.9810	0.000	1	108.9810	0.000	1	108.3145	0.509	6	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[3x6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2C)(CNO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2C)(CNO)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H){1|Br<1>,1|H<1>,1|O<1>,3|C<4>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]C)	107.2280	0.000	1	107.2280	0.000	1	108.3145	0.509	6	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[3x6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(COO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(COO)(H){1|H<1>,2|O<2>,5|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.8760	0.000	1	107.8760	0.000	1	108.3145	0.509	6	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[3x6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2O)(CCO)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2O)(CCO)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]C)	108.8415	0.368	2	108.8415	0.136	2	108.3145	0.509	6	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[3x6]-4:C-3:H-1:	C[5,3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]CH)(C[3x6]C[6,6]2H)(CC[6a]O)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(CC[6a]O)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[6,6]C[5,3x6]CH)(C[3x6]C[6,6]2H)(CC[6a]O)(H){1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(CC[6a]O)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.5410	0.000	1	108.5410	0.000	1	108.5410	0.000	1	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[3x6]-4:N-3:H-1:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(NOO)(H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HN)(C[6a]C[6a]2)(H)	H(C[6,6]C[3x6]C[6,6]N)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(NOO)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HN)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]N)	107.5230	0.000	1	107.5230	0.000	1	107.7245	0.081	2	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[3x6]-4:N-3:H-1:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(NOO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(C[6a]C[6a]2)(H)	H(C[6,6]C[3x6]C[6,6]N)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(NOO)(H){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]N)	107.9260	0.000	1	107.9260	0.000	1	107.7245	0.081	2	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[3x6]-4:N[5a]-3:H-1:	C[6,6]-4:C[3x6]-4:N[5a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]N[5a]H)(C[3x6]C[6,6,6a]2H)(N[5a]C[5a]2)(H)	C[6,6](C[6,6]C[3x6]N[5a]H)(C[3x6]C[6,6,6a]2H)(N[5a]C[5a]2)(H)	H(C[6,6]C[3x6]C[6,6]N[5a])	C[6,6](C[6,6]C[3x6]N[5a]H)(C[3x6]C[6,6,6a]2H)(N[5a]C[5a]2)(H){1|N<2>,3|H<1>,7|C<3>}	C[6,6](C[6,6]C[3x6]N[5a]H)(C[3x6]C[6,6,6a]2H)(N[5a]C[5a]2)(H){1|N<2>,3|H<1>,7|C<3>}	H(C[6,6]C[3x6]C[6,6]N[5a])	109.9465	0.375	2	109.9465	0.141	2	109.9465	0.141	2	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:Cl-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(Cl)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(Cl){2|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.1090	0.000	1	106.1090	0.000	1	106.1090	0.000	1	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.6010	0.865	3	105.6010	0.749	3	105.6010	0.749	3	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]N[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]N[6]C)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]N[6]C)(H){1|Al<5>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]N[6]C)(H){1|Al<5>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]2C[6])	109.3940	0.083	2	109.5243	0.136	6	108.7574	0.594	18	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]N[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]N[6]C)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]N[6]C)(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]N[6]C)(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]2C[6])	109.3725	0.227	2	109.5243	0.136	6	108.7574	0.594	18	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]N[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]N[6]C)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]N[6]C)(H){1|Pd<4>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]N[6]C)(H){1|Pd<4>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]2C[6])	109.8065	0.617	2	109.5243	0.136	6	108.7574	0.594	18	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6]C)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6]C)(H){1|Al<5>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6]C)(H){1|Al<5>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]2C[6])	109.4090	0.106	2	109.4090	0.011	2	108.7574	0.594	18	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	108.1930	0.180	2	108.1670	0.171	10	108.7574	0.594	18	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	108.9260	0.000	1	108.1670	0.171	10	108.7574	0.594	18	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	107.5720	0.000	1	108.1670	0.171	10	108.7574	0.594	18	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|O<1>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|O<1>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	108.0563	0.306	3	108.1670	0.171	10	108.7574	0.594	18	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|O<1>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|O<1>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	108.2057	0.416	3	108.1670	0.171	10	108.7574	0.594	18	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	107.9400	0.000	1	107.9400	0.000	1	107.8760	1.161	7	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]2C[6])	107.5220	0.000	1	107.5220	0.000	1	107.8760	1.161	7	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]2C[6])	108.1835	0.210	2	108.4975	0.157	4	107.8760	1.161	7	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	108.9370	0.000	1	108.4975	0.157	4	107.8760	1.161	7	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){2|C<3>,2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<1>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	108.6860	0.000	1	108.4975	0.157	4	107.8760	1.161	7	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6,6]C[6]3)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6]2H)(C[6,6]C[6]3)(C[6]C[6]H)(H){1|O<1>,1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H){1|Si<4>,1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	105.6800	0.000	1	105.6800	0.000	1	107.8760	1.161	7	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:B[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(B[6]O[6]O)(H)	C[6,6](C[6,6]B[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]B[6]C[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(B[6]O[6]O)(H){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]B[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]B[6]C[6])	106.5290	0.000	1	106.5290	0.000	1	106.5290	0.000	1	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2H)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(H){2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2H)(C[6]C[6]C)(H){1|C<4>,2|O<1>,4|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1000	0.000	1	108.1000	0.000	1	107.4352	0.487	5	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|N<3>,3|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.5840	0.000	1	107.5840	0.000	1	107.4352	0.487	5	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1640	0.794	3	107.1640	0.631	3	107.4352	0.487	5	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3890	0.000	1	107.3890	0.000	1	107.3570	0.483	7	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4665	0.131	2	107.3957	0.022	4	107.3570	0.483	7	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4420	0.000	1	107.3957	0.022	4	107.3570	0.483	7	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){2|C<3>,2|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2080	0.000	1	107.3957	0.022	4	107.3570	0.483	7	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4480	0.000	1	108.4480	0.000	1	107.3570	0.483	7	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6,6]C[6]3)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H){1|Si<4>,1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6,6]C[6]3)(C[6]C[6]H)(H){1|O<1>,1|O<2>,4|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.0790	0.000	1	106.0790	0.000	1	107.3570	0.483	7	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:B[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]B[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(B[6]O[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]B[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(B[6]O[6]O)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2430	0.000	1	108.2430	0.000	1	108.2430	0.000	1	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[4,6]HH)(C[6]C[6,6a]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[4,6]HH)(C[6]C[6,6a]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[4,6]HH)(C[6]C[6,6a]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2H)(C[6]C[4,6]HH)(C[6]C[6,6a]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.8765	0.345	4	107.8765	0.119	4	107.6659	0.850	38	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]N[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]N[6]O)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	110.3360	0.000	1	110.3360	0.000	1	107.6659	0.850	38	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]O[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]O[6]O)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9920	0.000	1	104.9920	0.000	1	107.6659	0.850	38	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4450	0.000	1	107.9390	0.512	2	107.6659	0.850	38	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4330	0.000	1	107.9390	0.512	2	107.6659	0.850	38	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5450	0.000	1	107.3953	0.053	3	107.6659	0.850	38	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3205	0.271	2	107.3953	0.053	3	107.6659	0.850	38	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<1>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3180	0.000	1	108.3180	0.000	1	107.6659	0.850	38	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6035	0.521	2	107.6035	0.272	2	107.6659	0.850	38	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]O[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]O[6]O)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1280	0.000	1	107.1280	0.000	1	107.6659	0.850	38	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]O[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]O[6]O)(H){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5530	1.657	2	107.3417	1.508	3	107.6659	0.850	38	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]O[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]O[6]O)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9190	0.000	1	107.3417	1.508	3	107.6659	0.850	38	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.7440	0.000	1	106.9220	0.045	3	107.6659	0.850	38	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0110	0.208	2	106.9220	0.045	3	107.6659	0.850	38	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7640	0.000	1	107.7640	0.000	1	107.6659	0.850	38	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]N[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]N[6]O)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5920	0.000	1	108.5920	0.000	1	107.6659	0.850	38	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2800	0.000	1	107.2800	0.000	1	107.6659	0.850	38	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.6155	0.326	2	108.6155	0.106	2	107.6659	0.850	38	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]O[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]O[6]O)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4085	0.725	2	108.0390	0.672	3	107.6659	0.850	38	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]O[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]O[6]O)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3000	0.000	1	108.0390	0.672	3	107.6659	0.850	38	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9110	0.000	1	106.9110	0.000	1	107.6659	0.850	38	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]H)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6560	0.000	1	106.6560	0.000	1	107.6659	0.850	38	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5075	0.083	2	107.5075	0.007	2	107.6659	0.850	38	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9390	0.000	1	107.7755	0.053	2	107.6659	0.850	38	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.6120	0.000	1	107.7755	0.053	2	107.6659	0.850	38	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]H)(H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.3360	0.000	1	109.3360	0.000	1	107.6659	0.850	38	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2545	0.145	2	107.2545	0.021	2	107.6659	0.850	38	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2020	0.000	1	107.2020	0.000	1	107.1553	0.208	3	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]O)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1320	0.642	2	107.1320	0.412	2	107.1553	0.208	3	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6a]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]O)(H){2|C<4>,3|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2700	0.000	1	107.2700	0.000	1	107.3190	0.005	2	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]O[6]CH)(C[6]C[6]H)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]N[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]O[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]N[6]O)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.3680	0.000	1	107.3680	0.000	1	107.3190	0.005	2	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	106.7650	0.000	1	106.7650	0.000	1	108.5053	2.328	3	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]O)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]O)(H){3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.3755	0.336	2	109.3755	0.113	2	108.5053	2.328	3	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CC)(N[6]C[6]Co)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CC)(N[6]C[6]Co)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CC)(N[6]C[6]Co)(H){1|Co<4>,1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CC)(N[6]C[6]Co)(H){1|Co<4>,1|C<3>,1|N<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	105.5450	0.000	1	105.5450	0.000	1	107.8057	1.122	18	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CC)(N[6]C[6]Cr)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CC)(N[6]C[6]Cr)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CC)(N[6]C[6]Cr)(H){1|Cr<4>,1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CC)(N[6]C[6]Cr)(H){1|Cr<4>,1|C<3>,1|N<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	108.2010	0.007	2	108.2010	0.000	2	107.8057	1.122	18	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CC)(N[6]C[6]Ni)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CC)(N[6]C[6]Ni)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CC)(N[6]C[6]Ni)(H){1|Ni<4>,1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CC)(N[6]C[6]Ni)(H){1|Ni<4>,1|C<3>,1|N<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	107.0000	0.000	1	107.0000	0.000	1	107.8057	1.122	18	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.4692	0.113	4	108.4692	0.013	4	107.8057	1.122	18	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.9365	0.349	2	107.7679	1.243	10	107.8057	1.122	18	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.3580	0.000	1	107.7679	1.243	10	107.8057	1.122	18	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.9280	0.000	1	107.7679	1.243	10	107.8057	1.122	18	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	106.9990	0.000	1	107.7679	1.243	10	107.8057	1.122	18	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.2780	0.000	1	107.7679	1.243	10	107.8057	1.122	18	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	106.7300	0.000	1	107.7679	1.243	10	107.8057	1.122	18	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.1710	1.576	3	107.7679	1.243	10	107.8057	1.122	18	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]N[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]O[6]CH)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]N[6]O)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]2H)(C[6]O[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4220	0.000	1	108.4220	0.000	1	107.6755	1.115	2	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]O)(H){2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9290	0.000	1	106.9290	0.000	1	107.6755	1.115	2	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|O<1>,3|H<1>,5|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|O<1>,3|H<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	106.3705	0.182	2	106.3705	0.033	2	106.3705	0.033	2	107.5500	1.331	189	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6,6]-4:C[6]-3:C-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]N[6]O)(CN)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]N[6]O)(CN){2|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5830	0.000	1	108.5830	0.000	1	108.5830	0.000	1	108.5830	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:3:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CN)(COO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(COO)(NCH)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CN)(COO)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(COO)(NCH){2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	110.3720	0.000	1	110.3720	0.000	1	110.3720	0.000	1	108.0128	1.523	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2C)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CCO)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2C)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CCO){2|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.0200	0.000	1	107.0200	0.000	1	107.1973	0.025	3	108.0128	1.523	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2C)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CC[6a]O)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2C)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CC[6a]O){2|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.3270	0.000	1	107.3270	0.000	1	107.1973	0.025	3	108.0128	1.523	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:3:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2C)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(COO)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2C)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(COO){2|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.2450	0.000	1	107.2450	0.000	1	107.1973	0.025	3	108.0128	1.523	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:N[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(COO){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0280	0.000	1	108.0280	0.000	1	108.0280	0.000	1	108.0128	1.523	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HO)(C[6]C[6]H)(COO)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HO)(C[6]C[6]H)(COO){1|S<4>,2|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.0850	0.000	1	108.0850	0.000	1	108.0850	0.000	1	108.0128	1.523	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.4570	0.000	1	107.4570	0.000	1	107.9553	0.514	3	106.0452	1.857	29	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.6320	0.000	1	107.6320	0.000	1	107.9553	0.514	3	106.0452	1.857	29	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(CH3)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]H)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(CH3){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.7770	0.000	1	108.7770	0.000	1	107.9553	0.514	3	106.0452	1.857	29	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[3,5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	104.8370	0.000	1	104.8370	0.000	1	104.8370	0.000	1	106.0452	1.857	29	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6]2C)(C[6]O[6]O)(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6]2C)(C[6]O[6]O)(H){1|O<2>,2|C<3>,2|O<1>,3|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|H<1>,1|O<1>,2|O<2>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	105.5350	0.163	3	105.5350	0.027	3	105.5350	0.027	3	106.0452	1.857	29	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<2>,1|O<1>,2|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	103.2850	0.000	1	104.3213	0.806	3	104.3213	0.806	3	106.0452	1.857	29	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	104.8395	0.006	2	104.3213	0.806	3	104.3213	0.806	3	106.0452	1.857	29	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]2C[6])	106.3307	0.089	4	106.3307	0.008	4	106.5068	0.082	6	106.0452	1.857	29	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CCCH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CCCH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]2C[6])	106.9390	0.000	1	106.9390	0.000	1	106.5068	0.082	6	106.0452	1.857	29	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	106.7790	0.000	1	106.7790	0.000	1	106.5068	0.082	6	106.0452	1.857	29	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6,6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.2070	0.000	1	104.2070	0.000	1	104.2070	0.000	1	106.0452	1.857	29	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|O<1>,4|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	103.9800	0.000	1	103.9800	0.000	1	105.0288	2.133	4	106.0452	1.857	29	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	103.7290	0.000	1	103.7290	0.000	1	105.0288	2.133	4	106.0452	1.857	29	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.5500	0.000	1	105.5500	0.000	1	105.0288	2.133	4	106.0452	1.857	29	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]C)(H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	106.8560	0.000	1	106.8560	0.000	1	105.0288	2.133	4	106.0452	1.857	29	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.6900	0.000	1	105.6900	0.000	1	106.7096	1.152	8	106.0452	1.857	29	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HO)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HO)(C[6]C[6]C)(H){3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	106.4440	0.000	1	106.4440	0.000	1	106.7096	1.152	8	106.0452	1.857	29	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|Br<1>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6880	0.000	1	107.3713	0.567	4	106.7096	1.152	8	106.0452	1.857	29	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|I<1>,2|H<1>,2|O<1>}	H(C[6,6]C[6,6]C[6]2)	107.2150	0.441	2	107.3713	0.567	4	106.7096	1.152	8	106.0452	1.857	29	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|Br<1>,1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(C[6,6]C[6,6]C[6]2)	108.3670	0.000	1	107.3713	0.567	4	106.7096	1.152	8	106.0452	1.857	29	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CHHO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CHHO){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.8950	0.000	1	104.8950	0.000	1	106.7096	1.152	8	106.0452	1.857	29	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]N)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]N)(H){2|H<1>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|N<2>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1630	0.000	1	107.1630	0.000	1	106.7096	1.152	8	106.0452	1.857	29	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]N[5,6,6]H)(C[6,6]C[3x6]C[5]H)(CHO)(H)	C[6,6](C[3x6]C[3,6,6]C[5,6,6]H)(C[5]C[5,6a]N[5]C)(C[6,6]C[3x6]CH)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[3,6,6]N[5,6,6]H)(C[6,6]C[3x6]C[5]H)(CHO)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[3,6,6]C[5,6,6]H)(C[5]C[5,6a]N[5]C)(C[6,6]C[3x6]CH)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	H(C[6,6]C[3x6]C[6,6]C)	106.7360	0.000	1	106.7360	0.000	1	107.3657	0.325	3	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]C[5]H)(CHO)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5]C[5,6a]N[5]C)(C[6,6]C[3x6]CH)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]C[5]H)(CHO)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5]C[5,6a]N[5]C)(C[6,6]C[3x6]CH)(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	H(C[6,6]C[3x6]C[6,6]C)	107.6805	0.234	2	107.6805	0.055	2	107.3657	0.325	3	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(CCH)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(CRuCH)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(CCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(CRuCH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.7890	0.000	1	108.7890	0.000	1	108.4425	0.240	2	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(CRuH)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(CRuCH)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(CRuH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(CRuCH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.0960	0.000	1	108.0960	0.000	1	108.4425	0.240	2	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H){2|O<2>,5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	H(C[6,6]C[3x6]C[6,6]C[6])	105.9970	0.127	2	105.9970	0.016	2	105.9970	0.016	2	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H)	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]C[6a]H)(CH3)(H)	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]C[6a]H)(CH3)(H){1|C<4>,5|C<3>}	H(C[6,6]C[3x6]C[6,6]C[6a])	106.5120	0.000	1	106.5120	0.000	1	106.5120	0.000	1	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[3x6]-4:C[6,6]-4:N-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHH)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NH3)(H)	H(C[6,6]C[3x6]C[6,6]N)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHH)(H){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NH3)(H){1|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]N)	107.8950	0.385	4	107.8950	0.148	4	107.8950	0.148	4	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6,6]C[6]2H)(COO)(H)	C[6,6](C[6,6]C[5,5,6,6]CH)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[5,5,6,6]C[6,6]C)	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6,6]C[6]2H)(COO)(H){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,5,6,6]CH)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,2|N<3>}	H(C[6,6]C[5,5,6,6]C[6,6]C)	108.5120	0.000	1	108.5120	0.000	1	108.5120	0.000	1	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]O[5]O[6])(C[6,6]C[6]2H)(CCH)(H)	C[6,6](C[6,6]C[5,6,6]CH)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6,6]C[6,6]C)	C[6,6](C[5,6,6]C[5,6]O[5]O[6])(C[6,6]C[6]2H)(CCH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6,6]CH)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C)	108.2980	0.000	1	108.2980	0.000	1	108.2980	0.000	1	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.1230	0.000	1	108.0553	0.039	3	107.4256	0.438	7	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.0215	0.268	2	108.0553	0.039	3	107.4256	0.438	7	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.3650	0.000	1	106.7855	0.354	2	107.4256	0.438	7	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H){5|H<1>,7|C<4>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.2060	0.000	1	106.7855	0.354	2	107.4256	0.438	7	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[5,6]C[6]H)(C[6]C[5,6]O)(H)	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[5,6]C[6]H)(C[6]C[5,6]O)(H){1|C<2>,1|N<3>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.1210	0.013	2	107.1210	0.000	2	107.4256	0.438	7	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.3300	0.076	2	108.3300	0.006	2	108.3300	0.006	2	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.3910	0.252	2	108.3910	0.063	2	108.0980	0.840	34	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.7410	0.000	1	108.7410	0.000	1	108.0980	0.840	34	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.6610	0.000	2	107.8230	0.079	3	108.0980	0.840	34	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.1470	0.000	1	107.8230	0.079	3	108.0980	0.840	34	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.6720	0.000	1	108.1462	0.402	6	108.0980	0.840	34	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.5000	0.000	1	108.1462	0.402	6	108.0980	0.840	34	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.3680	0.024	2	108.1462	0.402	6	108.0980	0.840	34	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){3|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.7470	0.000	1	108.1462	0.402	6	108.0980	0.840	34	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){3|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.2220	0.000	1	108.1462	0.402	6	108.0980	0.840	34	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]FH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|F<1>,2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]FH)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.8950	0.000	1	107.8950	0.000	1	108.0980	0.840	34	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.6160	0.000	1	107.6490	0.002	2	108.0980	0.840	34	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.6820	0.000	1	107.6490	0.002	2	108.0980	0.840	34	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.9860	0.000	1	107.9860	0.000	1	108.0980	0.840	34	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.2705	0.028	2	108.7995	0.534	12	108.0980	0.840	34	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|O<1>,4|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	110.6310	0.000	1	108.7995	0.534	12	108.0980	0.840	34	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|F<1>,5|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,5|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.8847	0.082	4	108.7995	0.534	12	108.0980	0.840	34	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.1110	0.748	2	108.7995	0.534	12	108.0980	0.840	34	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,5|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.2203	0.274	3	108.7995	0.534	12	108.0980	0.840	34	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.5550	0.000	1	107.5550	0.000	1	108.0980	0.840	34	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){2|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,2|O<2>,4|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.6745	0.192	2	106.4483	0.226	4	108.0980	0.840	34	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){2|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|O<1>,3|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.7550	0.000	1	106.4483	0.226	4	108.0980	0.840	34	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){3|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.6890	0.000	1	106.4483	0.226	4	108.0980	0.840	34	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|O<1>,2|O<2>,4|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.3430	0.000	1	107.3430	0.000	1	108.0980	0.840	34	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.3780	0.000	1	109.3780	0.000	1	109.3780	0.000	1	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[3x6]-4:C[6a]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]CH)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]C[6a]H)(CH3)(H)	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[6,6]C[5,3x6]CH)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]C[6a]H)(CH3)(H){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	H(C[6,6]C[3x6]C[6,6]C[6a])	106.7130	0.196	4	106.7130	0.039	4	106.7130	0.039	4	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[4x6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[4x6]C[3x6]2Cl)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[4x6]C[6]H)(C[6,6]O[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[4x6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[4x6]C[3x6]2Cl)(C[6]C[6]H)(H){2|C<3>,2|C<4>,3|O<2>,5|H<1>}	C[6,6](C[6,6]C[4x6]C[6]H)(C[6,6]O[6]2H)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[4x6]C[6,6]C[6])	105.9610	0.000	1	105.9610	0.000	1	105.9610	0.000	1	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:B-3:H-1:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(BC[6,6]O)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]BH)(CH3)(H)	H(C[6,6]C[6,6]2B)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(BC[6,6]O)(H){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]BH)(CH3)(H){3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2B)	105.9820	0.805	2	105.9820	0.648	2	105.9820	0.648	2	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(CCO)(H)	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(CCO)(H){2|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[6,6]C[6,6]2C)	107.2915	0.657	2	107.2915	0.432	2	107.2915	0.432	2	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6]C[6]C)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6]C[6]C)(H){1|N<3>,1|N<4>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){3|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	109.9810	0.000	1	108.5828	1.264	61	108.5551	1.290	62	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6]C[6]C)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6]C[6]C)(H){1|N<3>,1|N<4>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){3|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	108.6970	0.898	51	108.5828	1.264	61	108.5551	1.290	62	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6]C[6]C)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6]C[6]C)(H){1|O<2>,2|C<4>,2|N<3>,5|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){3|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	107.7799	1.840	9	108.5828	1.264	61	108.5551	1.290	62	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6]C)(H)	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H){1|N<2>,2|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	106.8670	0.000	1	106.8670	0.000	1	108.5551	1.290	62	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[3,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[3,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H){2|O<2>,5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.8380	0.000	1	104.8380	0.000	1	105.0112	1.645	13	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H){2|O<2>,5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	105.1500	0.000	1	105.1500	0.000	1	105.0112	1.645	13	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H)	C[6,6](C[5,6]C[3,5]C[5,6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[3,5]C[5,6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H){1|C<2>,1|C<3>,1|O<1>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.6340	0.000	1	106.6340	0.000	1	105.0112	1.645	13	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.1940	0.000	1	104.8524	1.867	10	105.0112	1.645	13	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.1478	0.371	6	104.8524	1.867	10	105.0112	1.645	13	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.6740	0.068	2	104.8524	1.867	10	105.0112	1.645	13	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	101.0950	0.000	1	104.8524	1.867	10	105.0112	1.645	13	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]N[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(CCHH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]N[6]C)(H){1|Al<5>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(CCHH)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]2C[6])	109.3375	0.047	2	109.5515	0.155	4	109.4865	0.119	6	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]N[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(CCHH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]N[6]C)(H){1|Pd<4>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(CCHH)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]2C[6])	109.7655	0.530	2	109.5515	0.155	4	109.4865	0.119	6	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]N[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(CC[6a]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]N[6]C)(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(CC[6a]HH)(H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]2C[6])	109.3565	0.279	2	109.3565	0.078	2	109.4865	0.119	6	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.0283	0.315	3	104.1815	0.160	4	106.3990	2.899	13	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.6410	0.000	1	104.1815	0.160	4	106.3990	2.899	13	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H){1|C<3>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|O<2>,2|O<1>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.7100	0.000	1	105.7100	0.000	1	106.3990	2.899	13	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|O<1>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	107.2720	0.000	1	107.2720	0.000	1	106.3990	2.899	13	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5,6]C[6]N)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|N<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]N)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	108.1530	0.284	2	107.7543	0.517	3	106.3990	2.899	13	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5,6]C[6]N)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]N)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.9570	0.000	1	107.7543	0.517	3	106.3990	2.899	13	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	107.9420	0.000	1	107.9420	0.000	1	106.3990	2.899	13	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){2|C<3>,2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	106.4850	0.000	1	106.4850	0.000	1	106.3990	2.899	13	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]O)(H){1|C<3>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	107.9010	0.000	1	107.8945	0.000	2	106.3990	2.899	13	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]O)(H){1|C<3>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|O<2>,2|O<1>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	107.8880	0.000	1	107.8945	0.000	2	106.3990	2.899	13	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	107.8657	0.757	3	107.8657	0.573	3	107.9033	0.253	15	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){3|C<3>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.4545	0.077	2	107.4545	0.006	2	107.9033	0.253	15	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|N<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	108.2145	0.327	2	107.8377	0.378	4	107.9033	0.253	15	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	107.4610	0.677	2	107.8377	0.378	4	107.9033	0.253	15	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|O<1>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	108.1967	0.423	3	108.1967	0.179	3	107.9033	0.253	15	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|O<1>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	108.0340	0.284	3	108.0340	0.081	3	107.9033	0.253	15	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6,6]H)(H){4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,9|H<1>}	H(C[6,6]C[6,6]2C[6])	105.2580	0.000	1	105.2580	0.000	1	105.2580	0.000	1	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:N-3:H-1:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NNiC)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(CH3)(H)	H(C[6,6]C[6,6]2N)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NNiC)(H){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(CH3)(H){3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2N)	107.3044	0.576	16	107.3044	0.332	16	107.3044	0.332	16	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(NCH)(H)	C[6,6](C[6,6]C[6,6]HN)(C[6]N[6]HH)(C[6]S[6]HH)(H)	H(C[6,6]C[6,6]2N)	C[6,6](C[6,6]C[6]2H)2(NCH)(H){1|N<3>,1|S<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]HN)(C[6]N[6]HH)(C[6]S[6]HH)(H){1|H<1>,2|O<1>,3|C<4>}	H(C[6,6]C[6,6]2N)	107.3770	0.000	1	107.3770	0.000	1	107.3770	0.000	1	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6,6]C[6]2)(H){2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.5030	0.000	1	107.5030	0.000	1	107.5030	0.000	1	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]O)(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7530	0.000	1	107.7530	0.000	1	107.7530	0.000	1	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]CH)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]2H)(CHHO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]CH)(C[6]C[6]HH)(C[6]O[6]O)(H){2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]2H)(CHHO)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.8220	0.000	1	108.8220	0.000	1	108.8220	0.000	1	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]C[6]H)(C[6]C[5,6]CO)(C[6]O[6]O)(H)	C[6,6](C[5,3x6]C[5,6,6]2C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,3x6]C[6]H)(C[6]C[5,6]CO)(C[6]O[6]O)(H){3|H<1>,5|C<4>}	C[6,6](C[5,3x6]C[5,6,6]2C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|O<2>,4|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.7120	0.000	1	106.7120	0.000	1	106.7120	0.000	1	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9090	0.000	1	106.9090	0.000	1	106.9090	0.000	1	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0080	0.260	2	107.0080	0.068	2	107.0080	0.068	2	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7420	0.955	2	107.6279	0.186	7	107.4843	0.707	11	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5935	0.235	4	107.6279	0.186	7	107.4843	0.707	11	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5370	0.000	1	107.6279	0.186	7	107.4843	0.707	11	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6,6](C[5,6]C[5]O[5]O[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[5,6]C[5]O[5]O[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3320	0.034	2	108.3320	0.001	2	107.4843	0.707	11	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.7340	0.000	1	106.7340	0.000	1	107.4843	0.707	11	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.5340	0.000	1	105.5340	0.000	1	107.4843	0.707	11	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5550	0.000	1	107.5550	0.000	1	106.1748	0.414	8	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.6810	0.000	1	105.9290	0.123	4	106.1748	0.414	8	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4490	0.000	1	105.9290	0.123	4	106.1748	0.414	8	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.7930	0.000	2	105.9290	0.123	4	106.1748	0.414	8	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.1290	0.000	1	106.1290	0.000	1	106.1748	0.414	8	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|O<1>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.6010	0.000	1	105.6010	0.000	1	106.1748	0.414	8	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.3970	0.000	1	106.3970	0.000	1	106.1748	0.414	8	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]N[5,6]HH)(C[6]O[6]CH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[5,6]HH)(C[6]O[6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8763	0.107	3	107.8763	0.011	3	107.0079	1.266	58	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]CC)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7995	0.062	2	107.7995	0.004	2	107.0079	1.266	58	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]CH)(C[6]O[6]HO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]CH)(C[6]O[6]HO)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3380	0.294	2	107.3380	0.087	2	107.0079	1.266	58	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]O[6]CH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]O[6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2890	0.000	1	108.2890	0.000	1	107.0079	1.266	58	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1565	0.803	2	107.1623	0.322	3	107.0079	1.266	58	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1740	0.000	1	107.1623	0.322	3	107.0079	1.266	58	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1750	0.000	1	107.1750	0.000	1	107.0079	1.266	58	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H){1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.0560	0.000	1	107.2255	6.701	2	107.0079	1.266	58	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H){3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.3950	0.000	1	107.2255	6.701	2	107.0079	1.266	58	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]H)(H){1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4780	0.000	1	106.4780	0.000	1	107.0079	1.266	58	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6210	0.000	1	107.6210	0.000	1	107.0079	1.266	58	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9380	0.000	1	107.1500	0.286	4	107.0079	1.266	58	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8615	0.152	2	107.1500	0.286	4	107.0079	1.266	58	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9390	0.000	1	107.1500	0.286	4	107.0079	1.266	58	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.8240	1.292	6	106.5237	2.484	16	107.0079	1.266	58	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2915	0.334	2	106.5237	2.484	16	107.0079	1.266	58	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5350	0.000	2	106.5237	2.484	16	107.0079	1.266	58	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6373	0.174	3	106.5237	2.484	16	107.0079	1.266	58	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6233	0.646	3	106.5237	2.484	16	107.0079	1.266	58	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4690	0.000	1	106.4690	0.000	1	107.0079	1.266	58	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]N)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]N)(H){1|O<2>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|N<2>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	103.9950	0.000	1	103.9950	0.000	1	107.0079	1.266	58	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9080	0.109	2	106.9080	0.012	2	107.0079	1.266	58	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.9160	0.000	1	106.4530	0.577	2	107.0079	1.266	58	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<2>,2|C<3>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	H(C[6,6]C[6,6]C[6]2)	106.9900	0.000	1	106.4530	0.577	2	107.0079	1.266	58	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]CH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]CH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8870	0.000	1	106.8870	0.000	1	107.0079	1.266	58	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7310	0.000	1	107.2387	0.203	3	107.0079	1.266	58	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8470	0.000	1	107.2387	0.203	3	107.0079	1.266	58	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1380	0.000	1	107.2387	0.203	3	107.0079	1.266	58	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HS)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]O)(H){1|C<3>,1|S<4>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HS)(H){1|C<4>,1|N<3>,2|O<1>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.5300	0.000	1	106.5300	0.000	1	107.0079	1.266	58	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6400	0.000	1	107.6400	0.000	1	107.0079	1.266	58	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]H)(H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2780	0.074	5	107.2780	0.006	5	107.0079	1.266	58	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]O)(H){2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5660	0.000	1	108.5660	0.000	1	107.0079	1.266	58	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]N[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]N[6]O)(H){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	H(C[6,6]C[6,6]C[6]2)	106.1990	0.000	1	106.1990	0.000	1	107.0079	1.266	58	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]C[6]C)(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7360	0.000	1	107.7360	0.000	1	107.0079	1.266	58	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]O[6]CH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]O[6]CH)(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6010	0.000	1	107.6010	0.000	1	107.0079	1.266	58	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]O[6]HH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]O[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6250	0.000	1	107.6250	0.000	1	107.0079	1.266	58	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.7425	0.085	4	109.0198	1.394	6	109.0198	1.394	6	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|N<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5745	0.827	2	109.0198	1.394	6	109.0198	1.394	6	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	106.8940	0.000	1	106.9707	0.011	3	106.9707	0.011	3	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.0090	0.112	2	106.9707	0.011	3	106.9707	0.011	3	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]H)(CH3)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]H)(CH3)(H){2|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.0880	0.000	1	109.0880	0.000	1	109.0880	0.000	1	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.2920	0.000	1	106.7220	0.650	2	107.6382	0.873	20	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	106.1520	0.000	1	106.7220	0.650	2	107.6382	0.873	20	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<2>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.3320	0.000	1	108.3320	0.000	1	107.6382	0.873	20	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|Cl<1>,1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.2500	0.228	3	108.0170	0.633	9	107.6382	0.873	20	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.5735	0.477	2	108.0170	0.633	9	107.6382	0.873	20	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H){3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.8140	0.111	4	108.0170	0.633	9	107.6382	0.873	20	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CS)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,1|S<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CS)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.5290	0.000	1	108.5290	0.000	1	107.6382	0.873	20	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,6|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.7725	0.244	2	107.7725	0.060	2	107.6382	0.873	20	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]O)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]O)(H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	106.3510	0.000	1	106.3510	0.000	1	107.6382	0.873	20	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]P)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]P)(H){2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H){1|P<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	106.9760	0.000	1	106.9760	0.000	1	107.6382	0.873	20	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]S[6]C)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]CH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]S[6]C)(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,5|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]CH)(H){1|S<4>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.1450	1.362	3	107.1450	1.855	3	107.6382	0.873	20	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.4340	0.000	1	109.4340	0.000	1	109.4340	0.000	1	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:S[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(S[6]N[6]OO)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]C[6]S[6])	C[6,6](C[6,6]C[6]2H)(S[6]N[6]OO)(C[6]C[6]H)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,2|O<1>,4|H<1>}	H(C[6,6]C[6,6]C[6]S[6])	107.4900	0.044	2	107.4900	0.002	2	107.4900	0.002	2	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|O<2>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5330	0.000	1	107.5330	0.000	1	107.6047	0.088	4	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<4>,4|C<3>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2590	0.000	1	107.6287	0.129	3	107.6047	0.088	4	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<4>,4|C<3>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8135	0.230	2	107.6287	0.129	3	107.6047	0.088	4	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[5a,6]HN)(C[6,6]C[6]2H)(C[6]O[6]O)(H)	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5a,6]HN)(C[6,6]C[6]2H)(C[6]O[6]O)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3740	0.000	1	108.3740	0.000	1	108.3740	0.000	1	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]CC)(C[6,6]C[6]2H)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6]C[6,6a]CC)(C[6,6]C[6]2H)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){4|C<3>,4|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	108.3980	0.000	1	108.3980	0.000	1	108.3980	0.000	1	107.5732	1.795	317	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:2:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	105.2940	0.000	1	105.2940	0.000	1	105.2940	0.000	1	106.7706	1.539	7	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:2:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(OH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H){1|C<3>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(OH){1|O<1>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.7450	0.000	1	105.7450	0.000	1	105.7450	0.000	1	106.7706	1.539	7	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(CH3)(OC)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(CH3)(OC){3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.0340	0.000	1	109.0340	0.000	1	109.0340	0.000	1	106.7706	1.539	7	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CN)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]C)(H){2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CN){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4180	0.000	1	106.4180	0.000	1	106.4180	0.000	1	106.7706	1.539	7	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HO)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]H)(H){1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HO)(OH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9120	0.000	1	106.9120	0.000	1	106.9677	0.319	3	106.7706	1.539	7	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4330	0.000	1	106.4330	0.000	1	106.9677	0.319	3	106.7706	1.539	7	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HN)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]O)(H){1|N<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HN)(OH){1|O<1>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5580	0.000	1	107.5580	0.000	1	106.9677	0.319	3	106.7706	1.539	7	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:3:	4:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:N-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]N)(C[6,6]C[5,6]O[6]H)(CCH)(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]CH)(C[6]C[6]HO)(NCH)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[5,6]C[6]N)(C[6,6]C[5,6]O[6]H)(CCH)(H){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]CH)(C[6]C[6]HO)(NCH){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]2C)	107.6500	0.000	1	107.6500	0.000	1	107.6500	0.000	1	107.0842	3.622	5	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:3:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]FH)(C[6,6]C[6]3)(C[6]C[6]F)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(C[6]O[6]O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]FH)(C[6,6]C[6]3)(C[6]C[6]F)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(C[6]O[6]O){1|C<3>,2|C<4>,2|F<1>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	109.6790	0.000	1	109.6790	0.000	1	109.6790	0.000	1	107.0842	3.622	5	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5]-4:C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[5]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6](C[5]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O){1|C<3>,5|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.7700	0.000	1	106.7700	0.000	1	106.7700	0.000	1	107.0842	3.622	5	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(CCH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(CCH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]2)	106.9430	0.000	1	106.9430	0.000	1	106.9430	0.000	1	107.0842	3.622	5	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CCO)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]C)(H){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CCO){3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	104.3790	0.000	1	104.3790	0.000	1	104.3790	0.000	1	107.0842	3.622	5	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[3,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[3,6]C[6,6]C[6])	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,5|H<1>}	H(C[6,6]C[3,6]C[6,6]C[6])	107.9710	0.000	1	107.9710	0.000	1	107.9710	0.000	1	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[3,5]C[5,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[3,5]C[5,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){10|H<1>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	105.0290	0.000	1	105.0290	0.000	1	105.0290	0.000	1	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(CH3)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)(H){2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.4500	0.062	2	108.4500	0.004	2	108.4500	0.004	2	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(C[6]C[6]O)(H){1|O<2>,2|C<3>,5|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<1>,3|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.1320	0.000	1	105.1320	0.000	1	105.1320	0.000	1	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[3,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(CHHO)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[3,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H){2|O<2>,5|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(CHHO){1|O<1>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	104.7550	0.000	1	104.7550	0.000	1	104.7550	0.000	1	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[3,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H){2|O<2>,5|C<4>,6|H<1>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(CH3){1|O<1>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.2420	0.000	1	105.2420	0.000	1	105.2420	0.000	1	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[4,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[4,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	104.8700	0.000	1	104.8700	0.000	1	104.6567	0.505	60	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.4763	0.855	3	105.4763	0.731	3	104.6567	0.505	60	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.3140	0.000	1	105.3140	0.000	1	104.6567	0.505	60	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	103.9503	0.244	3	104.1090	0.141	4	104.6567	0.505	60	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	104.5850	0.000	1	104.1090	0.141	4	104.6567	0.505	60	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	106.3342	0.075	4	106.3342	0.006	4	104.6567	0.505	60	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|O<1>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	104.4662	0.295	5	104.5370	0.100	6	104.6567	0.505	60	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|O<1>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	104.8910	0.000	1	104.5370	0.100	6	104.6567	0.505	60	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]O[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]O[6]O)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HO)(CH3){1|O<2>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	104.8060	0.000	1	104.8060	0.000	1	104.6567	0.505	60	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]O)(H){2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<1>,2|O<2>,3|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.7740	0.000	1	104.7740	0.000	1	104.6567	0.505	60	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)(H){6|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	104.3265	0.158	2	104.3265	0.025	2	104.6567	0.505	60	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	104.7495	0.019	2	104.7495	0.000	2	104.6567	0.505	60	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.7800	0.035	2	104.5447	0.081	4	104.6567	0.505	60	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)(H){6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.3095	0.139	2	104.5447	0.081	4	104.6567	0.505	60	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	104.3207	0.305	12	104.5689	0.556	17	104.6567	0.505	60	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	105.6930	1.274	3	104.5689	0.556	17	104.6567	0.505	60	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	104.3720	0.124	2	104.5689	0.556	17	104.6567	0.505	60	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.3390	0.237	10	104.3009	0.074	14	104.6567	0.505	60	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	104.1977	0.446	3	104.3009	0.074	14	104.6567	0.505	60	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	104.2290	0.000	1	104.3009	0.074	14	104.6567	0.505	60	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3){1|N<2>,1|O<1>,2|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	104.5000	0.000	1	104.5000	0.000	1	104.5000	0.000	1	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	104.5458	0.320	6	104.5458	0.102	6	104.9201	1.066	7	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	107.1660	0.000	1	107.1660	0.000	1	104.9201	1.066	7	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6,6]C[6]3)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6]2H)(C[6,6]C[6]3)(C[6]C[6]H)(H){1|O<1>,1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(C[6]O[6]HH){2|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	105.6220	0.000	1	105.6220	0.000	1	105.6220	0.000	1	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(C[6,6]C[6]2)(H){1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.1120	0.310	2	106.1120	0.096	2	106.1120	0.096	2	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[3,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(CH3){1|O<1>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2760	0.000	1	107.2760	0.000	1	107.2760	0.000	1	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.2160	0.000	1	105.2160	0.000	1	105.2160	0.000	1	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)(H)	C[6,6](C[5,5,6,6]C[5,6,6]C[5,5]O[5,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)(H){2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,5,6,6]C[5,6,6]C[5,5]O[5,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1060	0.000	1	107.1060	0.000	1	107.1060	0.000	1	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6,6]C)(H)	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6,6]C)(H){2|H<1>,4|C<3>,4|C<4>}	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|O<2>,3|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.7370	0.000	1	105.7370	0.000	1	105.7370	0.000	1	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|C<3>,1|O<1>,2|H<1>,2|O<2>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.5750	0.000	1	105.8865	0.194	2	106.1340	0.281	3	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H){2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|C<3>,3|H<1>,3|O<2>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.1980	0.000	1	105.8865	0.194	2	106.1340	0.281	3	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){3|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6290	0.000	1	106.6290	0.000	1	106.1340	0.281	3	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8120	0.000	1	107.8120	0.000	1	106.6145	2.868	2	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.4170	0.000	1	105.4170	0.000	1	106.6145	2.868	2	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,4|C<3>}	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(CH3)2{1|C<3>,1|C<4>,2|O<1>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6520	0.000	1	106.6520	0.000	1	107.8150	2.705	2	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)2(CC[6a]HO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)2(CC[6a]HO)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.9780	0.000	1	108.9780	0.000	1	107.8150	2.705	2	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]O[6]O)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]O[6]O)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.2140	0.000	1	105.2140	0.000	1	106.0828	0.715	52	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[5,3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[5,3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.7450	0.000	1	106.7450	0.000	1	106.0828	0.715	52	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.2580	0.000	1	105.2580	0.000	1	106.0828	0.715	52	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO){1|O<1>,4|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	103.7450	0.000	1	103.7450	0.000	1	106.0828	0.715	52	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.4780	0.000	1	104.6725	0.116	4	106.0828	0.715	52	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.6920	0.000	1	104.6725	0.116	4	106.0828	0.715	52	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.1440	0.000	1	104.6725	0.116	4	106.0828	0.715	52	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.3760	0.000	1	104.6725	0.116	4	106.0828	0.715	52	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.5260	0.000	1	105.5260	0.000	1	106.0828	0.715	52	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.5600	0.000	1	105.4710	0.016	2	106.0828	0.715	52	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.3820	0.000	1	105.4710	0.016	2	106.0828	0.715	52	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|Cl<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.5560	0.000	1	105.8422	0.124	6	106.0828	0.715	52	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.6835	0.038	4	105.8422	0.124	6	106.0828	0.715	52	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.7630	0.000	1	105.8422	0.124	6	106.0828	0.715	52	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.1765	0.182	4	106.0331	0.154	13	106.0828	0.715	52	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.3420	0.000	1	106.0331	0.154	13	106.0828	0.715	52	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.2980	0.000	1	106.0331	0.154	13	106.0828	0.715	52	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.2280	0.580	3	106.0331	0.154	13	106.0828	0.715	52	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.8500	0.192	4	106.0331	0.154	13	106.0828	0.715	52	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]N)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]N)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|N<2>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.3160	0.040	2	106.3160	0.002	2	106.0828	0.715	52	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|Cl<1>,1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0000	0.000	1	107.0000	0.000	1	106.0828	0.715	52	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|Br<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.2850	0.000	1	106.9590	0.371	10	106.0828	0.715	52	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9655	0.186	2	106.9590	0.371	10	106.0828	0.715	52	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6930	0.000	1	106.9590	0.371	10	106.0828	0.715	52	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|Cl<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4865	0.042	2	106.9590	0.371	10	106.0828	0.715	52	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0813	0.087	3	106.9590	0.371	10	106.0828	0.715	52	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4640	0.000	1	106.9590	0.371	10	106.0828	0.715	52	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9025	0.767	2	106.9290	0.296	3	106.0828	0.715	52	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9820	0.000	1	106.9290	0.296	3	106.0828	0.715	52	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|O<1>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.2144	0.691	5	106.1153	0.441	6	106.0828	0.715	52	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.6200	0.000	1	106.1153	0.441	6	106.0828	0.715	52	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.5600	0.000	1	106.5255	0.002	2	106.0715	0.921	30	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4910	0.000	1	106.5255	0.002	2	106.0715	0.921	30	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(H){2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8106	0.157	5	106.8106	0.025	5	106.0715	0.921	30	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.5435	0.152	2	106.5435	0.023	2	106.0715	0.921	30	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]H)(H){3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.6890	0.000	1	104.6890	0.000	1	106.0715	0.921	30	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.3450	0.000	1	104.3450	0.000	1	106.0715	0.921	30	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O)(H){2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){1|O<1>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.4700	0.000	1	104.6095	0.039	2	106.0715	0.921	30	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O)(H){3|C<4>,3|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){1|O<1>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.7490	0.000	1	104.6095	0.039	2	106.0715	0.921	30	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]O)(H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6925	0.204	2	106.6925	0.042	2	106.0715	0.921	30	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CBHH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CBHH){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.5790	0.000	1	106.5790	0.000	1	106.0715	0.921	30	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.8115	0.255	6	105.8115	0.065	6	106.0715	0.921	30	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HS)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|S<2>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HS)(CH3){1|O<1>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4145	0.269	2	106.4145	0.073	2	106.0715	0.921	30	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HN)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HN)(C[6]C[6]C)(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.2180	0.117	2	105.2180	0.014	2	106.0715	0.921	30	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CHHO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CHHO){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	103.7590	0.000	1	103.7590	0.000	1	106.0715	0.921	30	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]O)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5515	0.185	2	107.5515	0.034	2	106.0715	0.921	30	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]O)(H){2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.7420	0.000	1	106.7420	0.000	1	106.0715	0.921	30	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6]O[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<2>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6]O[6]HH)(CH3){5|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	106.5620	0.000	1	106.5620	0.000	1	106.8215	0.135	2	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.0810	0.000	1	107.0810	0.000	1	106.8215	0.135	2	105.5833	1.320	173	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:3:4:1:	4:	C[6,6]-4:C[6,6]-4:S-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]H)(SCOO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HS)(H)	H(C[6,6]C[6,6]2S)	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]H)(SCOO)(H){2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HS)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]2S)	107.5810	0.000	1	107.5810	0.000	1	106.0788	0.846	5	107.2809	1.633	14	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:3:4:1:	4:	C[6,6]-4:C[6,6]-4:S-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]H)(SC[6a]OO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HS)(H)	H(C[6,6]C[6,6]2S)	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]H)(SC[6a]OO)(H){2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HS)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]2S)	105.7032	0.434	4	105.7032	0.188	4	106.0788	0.846	5	107.2809	1.633	14	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,1|S<2>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.4260	0.000	1	106.4260	0.000	1	106.4260	0.000	1	107.2809	1.633	14	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]O[6]CC)(C[6]S[6]HH)(H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]O[6]CC)(C[6]S[6]HH)(H){4|C<3>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|S<2>,2|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.5570	0.000	1	108.5570	0.000	1	108.5570	0.000	1	107.2809	1.633	14	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CC)(C[6]O[6]HH)(H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CC)(C[6]O[6]HH)(H){4|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(H){1|O<1>,2|C<3>,2|H<1>,3|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.2315	0.115	2	108.2315	0.013	2	108.2315	0.013	2	107.2809	1.633	14	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(H){6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){1|C<4>,2|O<2>,4|H<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.1410	0.000	1	108.3355	0.076	2	108.0184	0.928	5	107.2809	1.633	14	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(H){6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){2|O<2>,5|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5300	0.000	1	108.3355	0.076	2	108.0184	0.928	5	107.2809	1.633	14	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]2H)(C[6]O[6]CC)(C[6]O[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]2H)(C[6]O[6]CC)(C[6]O[6]HH)(H){4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>,3|O<2>}	H(C[6,6]C[6,6]C[6]2)	106.3250	0.000	1	106.3250	0.000	1	108.0184	0.928	5	107.2809	1.633	14	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]2H)(C[6]O[6]HH)2(H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]2H)(C[6]O[6]HH)2(H){4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){1|O<1>,3|C<3>,3|O<2>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5480	0.091	2	108.5480	0.008	2	108.0184	0.928	5	107.2809	1.633	14	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(H){6|C<3>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0360	0.000	1	108.0360	0.000	1	106.6177	1.510	3	106.6177	1.510	3	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]O[6]CC)(C[6]O[6]HH)(H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]O[6]CC)(C[6]O[6]HH)(H){4|C<3>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3){1|N<2>,1|N<3>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.8730	0.000	1	105.9085	0.003	2	106.6177	1.510	3	106.6177	1.510	3	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]O[6]CC)(C[6]O[6]HH)(H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]O[6]CC)(C[6]O[6]HH)(H){4|C<3>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3){1|N<2>,2|C<4>,3|C<3>,3|H<1>,3|O<2>}	H(C[6,6]C[6,6]C[6]2)	105.9440	0.000	1	105.9085	0.003	2	106.6177	1.510	3	106.6177	1.510	3	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[5,6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[5,6,6]HH)(C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)	C[6,6](N[5,6,6]C[5,6,6]C[5,6])(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]N[5,6,6]HH)(C[6]C[5,6,6]HH)(C[6]C[6]HH)(H){1|H<1>,1|I<1>,1|O<2>,3|C<4>}	C[6,6](N[5,6,6]C[5,6,6]C[5,6])(C[6,6]C[6]2H)(H)2{4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.7179	0.390	16	108.7179	0.152	16	108.7179	0.152	16	108.6788	0.125	23	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(C[6]C[6]ClH)(H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(C[6]C[6]ClH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2H)(H)2{1|Cl<1>,1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.7927	0.110	3	108.7927	0.012	3	108.7087	0.036	4	108.6788	0.125	23	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2H)(H)2{1|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4570	0.000	1	108.4570	0.000	1	108.7087	0.036	4	108.6788	0.125	23	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:1:1:	4:	Si[6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](Si[6]C[6,6a]C[6a]C)(C[6,6]N[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]Si[6]C[6]H)(H)2	H(C[6,6]C[6,6]Si[6]C[6])	C[6,6](Si[6]C[6,6a]C[6a]C)(C[6,6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]Si[6]C[6]H)(H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]Si[6]C[6])	108.2845	0.087	2	108.4303	0.068	3	108.4303	0.068	3	108.6788	0.125	23	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:1:1:	4:	Si[6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](Si[6]C[6,6a]C[6a]C)(C[6,6]N[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]Si[6]C[6]H)(H)2	H(C[6,6]C[6,6]Si[6]C[6])	C[6,6](Si[6]C[6,6a]C[6a]C)(C[6,6]N[6,6]HH)(C[6]C[6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]Si[6]C[6]H)(H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]Si[6]C[6])	108.7220	0.000	1	108.4303	0.068	3	108.4303	0.068	3	108.6788	0.125	23	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:2:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6,6a]O[6]H)(C[6]O[6]CC)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(O[6]Si[6])(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6,6a]O[6]H)(C[6]O[6]CC)(H){1|Si<4>,1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(O[6]Si[6])(H){1|H<1>,2|O<2>,3|C<3>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.7790	0.000	1	105.7790	0.000	1	105.7790	0.000	1	107.6251	0.467	28	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6,6a]O[6]H)(C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(H)	C[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]2H)(O[6]C[6,6a])(H)	H(C[6,6]C[6,6]3)	C[6,6](C[6,6]C[6,6,6a]O[6]H)(C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(H){3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]2H)(O[6]C[6,6a])(H){1|O<2>,4|C<3>,5|C<4>}	H(C[6,6]C[6,6]3)	106.0060	0.000	1	106.0060	0.000	1	106.0060	0.000	1	107.6251	0.467	28	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6,6a]C[6]H)(C[6,6]C[6,6a]O[6]H)(C[6]O[6]CC)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6,6a]C[6]H)(C[6,6]C[6,6a]O[6]H)(C[6]O[6]CC)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H){1|H<1>,2|O<2>,3|C<4>,4|C<3>}	H(C[6,6]C[6,6]2C[6])	106.7280	0.000	1	106.7280	0.000	1	107.0280	0.180	2	107.6251	0.467	28	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]H)(C[6]C[6]2H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]H)(C[6]C[6]2H)(H){2|C<4>,5|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H){3|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]2C[6])	107.3280	0.000	1	107.3280	0.000	1	107.0280	0.180	2	107.6251	0.467	28	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]C[6a]H)(C[6]O[6]HO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]C[6a]H)(C[6]O[6]HO)(H){6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(H){2|O<2>,3|H<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.3185	0.152	2	108.3185	0.023	2	107.8024	0.195	20	107.6251	0.467	28	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4100	0.000	1	107.0323	0.107	3	107.8024	0.195	20	107.6251	0.467	28	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8435	0.030	2	107.0323	0.107	3	107.8024	0.195	20	107.6251	0.467	28	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9781	0.189	9	107.9922	0.030	11	107.8024	0.195	20	107.6251	0.467	28	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0555	0.030	2	107.9922	0.030	11	107.8024	0.195	20	107.6251	0.467	28	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6000	0.315	4	107.6000	0.099	4	107.8024	0.195	20	107.6251	0.467	28	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[5,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[5,6]O[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)	C[6,6](N[5,6]C[5,6]S[5])(C[6,6]C[6]2H)(O[6]C[6,6a])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]N[5,6]O[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H){1|H<1>,1|S<4>,5|C<3>}	C[6,6](N[5,6]C[5,6]S[5])(C[6,6]C[6]2H)(O[6]C[6,6a])(H){2|O<1>,3|H<1>,6|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.3355	0.073	2	108.3355	0.005	2	108.3355	0.005	2	107.6251	0.467	28	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]CH)(C[6]C[6]HH)(H)	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2H)(O[6]C[6,6a])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]CH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2H)(O[6]C[6,6a])(H){2|C<4>,4|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8480	0.000	1	107.8480	0.000	1	107.8480	0.000	1	107.6251	0.467	28	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C[6,6]-4:H-1:	N[6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6]C[6a]H)2(C[6,6]N[6]O[6]H)(H)	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2H)(O[6]C[5,6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5,6]C[6a]H)2(C[6,6]N[6]O[6]H)(H){1|C<4>,9|C<3>}	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2H)(O[6]C[5,6])(H){1|C<4>,3|H<1>,7|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.0950	0.000	1	107.0950	0.000	1	107.0950	0.000	1	107.6251	0.467	28	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:2:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:O[6]-2:N-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]N)(C[6]C[6,6a]CH)(C[6]S[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(NCH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]O[6]N)(C[6]C[6,6a]CH)(C[6]S[6]HH)(H){4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(NCH){1|C<2>,1|S<2>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5050	0.000	1	108.5050	0.000	1	108.7517	0.068	3	108.7517	0.068	3	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:2:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:O[6]-2:N-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]N)(C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(NCH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]O[6]N)(C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H){2|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(NCH){1|C<4>,4|H<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.8750	0.212	2	108.8750	0.045	2	108.7517	0.068	3	108.7517	0.068	3	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[5,6]C[6]H)(C[6]C[5,6]O)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[5,6]C[6]H)(C[6]C[5,6]O)(H){1|C<2>,1|N<3>,1|O<2>,1|S<4>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.4280	0.000	1	108.4280	0.000	1	108.4280	0.000	1	107.7978	0.501	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(CCHH)(H)	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]CH)(N[6]C[6]C)(H)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(CCHH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]CH)(N[6]C[6]C)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]2C)	107.7050	1.076	2	107.7050	1.158	2	107.7050	1.158	2	107.7978	0.501	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6a]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(CH3)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[6a]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(CH3)(H){1|H<1>,1|S<4>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]2C)	107.9210	0.000	1	107.9210	0.000	1	107.9210	0.000	1	107.7978	0.501	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]H)(CH3)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6a]C[6])(H)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]H)(CH3)(H){1|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6a]C[6])(H){1|O<2>,3|H<1>,5|C<3>}	H(C[6,6]C[6,6]2C)	107.9850	0.000	1	107.9850	0.000	1	107.9850	0.000	1	107.7978	0.501	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C-4:H-1:	N[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[5a,6]N[6]H)(C[6,6]C[6]2H)(CCHH)(H)	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]CH)(N[6]C[6]S)(H)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]N[5a,6]N[6]H)(C[6,6]C[6]2H)(CCHH)(H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]CH)(N[6]C[6]S)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]2C)	107.7705	0.585	2	107.7705	0.342	2	107.7705	0.342	2	107.7978	0.501	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){2|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	108.8130	0.000	1	108.8130	0.000	1	108.8130	0.000	1	107.7978	0.501	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	N[5,6]-3:C[6,6]-4:C[5,6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]O[6]C)(C[6,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)	C[6,6](N[5,6]C[5,5,6]C[5])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6,6]O[6]C)(C[6,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,5|C<4>}	C[6,6](N[5,6]C[5,5,6]C[5])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H){1|O<2>,7|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	106.5330	0.000	1	106.5330	0.000	1	106.5330	0.000	1	107.7978	0.501	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(H){2|C<4>,2|N<3>,4|C<3>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H){1|O<1>,3|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	108.5173	0.453	3	108.5173	0.205	3	108.5173	0.205	3	107.7978	0.501	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.9600	0.134	2	107.9600	0.018	2	107.9600	0.018	2	107.7978	0.501	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.8430	0.000	1	107.8430	0.000	1	107.8430	0.000	1	107.7978	0.501	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7490	0.000	1	107.7490	0.000	1	107.4681	0.707	7	107.7978	0.501	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|C<4>,3|H<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.2120	0.000	1	107.2120	0.000	1	107.4681	0.707	7	107.7978	0.501	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.0107	1.130	3	107.0107	1.277	3	107.4681	0.707	7	107.7978	0.501	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(C[6]N[5]O[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(C[6]N[5]O[6]H)(H){1|H<1>,1|S<4>,2|C<4>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|O<2>,2|N<3>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.0730	0.000	1	108.0730	0.000	1	107.4681	0.707	7	107.7978	0.501	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]CC)(C[6]O[6]HH)(H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]CC)(C[6]O[6]HH)(H){1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.2110	0.000	1	108.2110	0.000	1	107.4681	0.707	7	107.7978	0.501	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6,6a]CC)(C[6]O[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]C[6,6a]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6,6a]CC)(C[6]O[6]HH)(H){1|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]C[6,6a]H)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.3970	0.234	3	107.3970	0.055	3	107.6303	0.254	4	107.7978	0.501	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]C[6,6a]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(H){1|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]C[6,6a]H)(H){1|O<2>,4|H<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.3300	0.000	1	108.3300	0.000	1	107.6303	0.254	4	107.7978	0.501	26	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:3:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(OC)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(OC){1|C<4>,4|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0470	0.023	2	108.0470	0.001	2	106.7965	4.651	4	106.7965	4.651	4	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:3:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)(C[6]C[6]SS)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(OC)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)(C[6]C[6]SS)(H){1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(OC){1|C<4>,2|S<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	103.5840	0.000	1	103.5840	0.000	1	106.7965	4.651	4	106.7965	4.651	4	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:3:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)2(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]O)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]O)(OH){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5080	0.000	1	107.5080	0.000	1	106.7965	4.651	4	106.7965	4.651	4	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]H)(CH3)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]H)(CH3)(H){2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	H(C[6,6]C[6,6]2C)	106.6820	0.000	1	106.6820	0.000	1	106.6820	0.000	1	105.2235	1.005	13	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.8020	0.000	1	104.9607	0.022	3	105.1125	0.974	11	105.2235	1.005	13	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){2|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.0400	0.078	2	104.9607	0.022	3	105.1125	0.974	11	105.2235	1.005	13	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<2>,2|C<3>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.8295	0.066	2	104.9124	0.035	5	105.1125	0.974	11	105.2235	1.005	13	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){2|C<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.8610	0.211	2	104.9124	0.035	5	105.1125	0.974	11	105.2235	1.005	13	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.1810	0.000	1	104.9124	0.035	5	105.1125	0.974	11	105.2235	1.005	13	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){2|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.4060	0.243	2	104.4060	0.059	2	105.1125	0.974	11	105.2235	1.005	13	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|Si<4>,1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9820	0.000	1	107.9820	0.000	1	105.1125	0.974	11	105.2235	1.005	13	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){3|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9860	0.000	1	104.9860	0.000	1	104.9860	0.000	1	105.2235	1.005	13	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	N[4x6]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]N[4x6]CH)(CHHO)(H)	C[6,6](N[4x6]C[5,3x6]C[3x6])(C[6,6]C[3x6]CH)(CH3)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]N[4x6]CH)(CHHO)(H){3|C<4>,3|H<1>}	C[6,6](N[4x6]C[5,3x6]C[3x6])(C[6,6]C[3x6]CH)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.9430	0.000	1	107.9430	0.000	1	107.9430	0.000	1	108.2728	1.405	184	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(CCHH)(H)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6,6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6,6]C[6,6]C)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(CCHH)(H){2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6,6]CH)(C[6]C[6]HH)(H){2|C<4>,2|N<3>,5|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C)	107.8780	0.000	1	107.8780	0.000	1	107.8780	0.000	1	108.2728	1.405	184	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6a]N[5,6]O)(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6a]N[5,6]O)(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H){1|C<4>,1|S<4>,2|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>,4|C<3>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.4380	0.000	1	107.4380	0.000	1	107.2635	0.061	2	108.2728	1.405	184	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]O[5,6]C[6a]C[5])(C[6,6]C[6,6a]C[6]H)(C[6]N[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]O[5,6]C[6a]C[5])(C[6,6]C[6,6a]C[6]H)(C[6]N[6]HH)(H){1|C<4>,1|O<2>,1|S<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>,4|C<3>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.0890	0.000	1	107.0890	0.000	1	107.2635	0.061	2	108.2728	1.405	184	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H){3|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.1510	0.000	1	108.1510	0.000	1	108.6310	0.756	131	108.2728	1.405	184	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.6474	0.962	86	108.6971	0.703	124	108.6310	0.756	131	108.2728	1.405	184	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<4>,4|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.9657	0.355	10	108.6971	0.703	124	108.6310	0.756	131	108.2728	1.405	184	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.7538	0.461	28	108.6971	0.703	124	108.6310	0.756	131	108.2728	1.405	184	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H){3|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.7493	0.166	3	107.7493	0.027	3	108.6310	0.756	131	108.2728	1.405	184	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.9460	0.297	2	106.9400	0.044	3	108.6310	0.756	131	108.2728	1.405	184	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.9280	0.000	1	106.9400	0.044	3	108.6310	0.756	131	108.2728	1.405	184	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2C)(CCHH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]O[6]CH)(H)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2C)(CCHH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]O[6]CH)(H){1|C<4>,1|O<2>,4|C<3>}	H(C[6,6]C[6,6]2C)	106.1550	0.000	1	106.1550	0.000	1	106.1550	0.000	1	108.2728	1.405	184	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.7300	0.000	1	106.7300	0.000	1	106.7300	0.000	1	108.2728	1.405	184	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]O[6]CC)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]O[6]CC)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,2|C<3>,3|O<2>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	106.0060	0.962	2	106.0060	0.925	2	106.0060	0.925	2	108.2728	1.405	184	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]O[6]CC)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]O[6]CC)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H){1|H<1>,1|O<1>,2|C<3>,3|O<2>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	105.9985	0.943	2	105.9985	0.888	2	107.5557	0.861	10	108.2728	1.405	184	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.8605	0.094	2	108.0391	0.050	7	107.5557	0.861	10	108.2728	1.405	184	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<4>,4|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	108.1106	0.225	5	108.0391	0.050	7	107.5557	0.861	10	108.2728	1.405	184	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]H)(C[6]C[6]2H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]H)(C[6]C[6]2H)(H){2|C<4>,5|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]2C[6])	107.2860	0.000	1	107.2860	0.000	1	107.5557	0.861	10	108.2728	1.405	184	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2630	0.000	1	108.2630	0.000	1	108.2630	0.000	1	108.2728	1.405	184	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	C[6,6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6]2H)(C[6]C[6]CC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,1|O<1>,4|C<3>}	C[6,6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6]2H)(C[6]C[6]CC)(H){1|N<3>,2|H<1>,4|C<3>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.4330	0.000	1	106.4330	0.000	1	106.3470	0.010	3	108.2728	1.405	184	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	C[6,6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6]2H)(C[6]C[6]CH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6]2H)(C[6]C[6]CH)(H){1|N<3>,2|C<3>,2|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.3040	0.089	2	106.3040	0.008	2	106.3470	0.010	3	108.2728	1.405	184	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|N<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8400	1.921	2	106.8400	3.688	2	106.8400	3.688	2	108.2728	1.405	184	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|S<2>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9300	0.000	1	107.9300	0.000	1	107.6587	2.788	27	108.2728	1.405	184	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.9706	1.677	5	109.9706	2.813	5	107.6587	2.788	27	108.2728	1.405	184	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]N[6]CH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]N[6]CH)(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0480	0.000	1	107.0480	0.000	1	107.6587	2.788	27	108.2728	1.405	184	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]ClH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]ClH)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.9797	1.524	6	105.9797	2.323	6	107.6587	2.788	27	108.2728	1.405	184	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.5700	0.000	1	106.6225	0.006	2	107.6587	2.788	27	108.2728	1.405	184	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.6750	0.000	1	106.6225	0.006	2	107.6587	2.788	27	108.2728	1.405	184	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.8960	0.025	2	106.8960	0.001	2	107.6587	2.788	27	108.2728	1.405	184	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]CH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){4|H<1>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7260	0.000	1	107.7260	0.000	1	107.6587	2.788	27	108.2728	1.405	184	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6205	0.459	4	107.6205	0.210	4	107.6587	2.788	27	108.2728	1.405	184	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,3|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3970	0.192	2	108.3970	0.037	2	107.6587	2.788	27	108.2728	1.405	184	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)2(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)2(H){1|C<4>,2|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1165	0.101	2	108.1165	0.010	2	107.6587	2.788	27	108.2728	1.405	184	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]S[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]S[6]H)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|S<2>,3|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8050	0.000	1	107.8050	0.000	1	107.6587	2.788	27	108.2728	1.405	184	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[5,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.8740	0.000	1	105.8740	0.000	1	105.8740	0.000	1	108.2728	1.405	184	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(N[6]C[6]CH)(H)	C[6,6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(N[6]C[6]CH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.0870	0.000	1	107.0870	0.000	1	107.0870	0.000	1	108.2728	1.405	184	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6]O)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5a,6]C[6]O)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){1|C<3>,2|N<2>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.4550	0.000	1	104.4550	0.000	1	105.7953	1.580	3	105.7953	1.580	3	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6]O)(C[6]C[6]HH)2(H)	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5a,6]C[6]O)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,2|N<2>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4655	0.682	2	106.4655	0.466	2	105.7953	1.580	3	105.7953	1.580	3	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H){1|C<3>,1|N<2>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.9470	0.000	1	105.9470	0.000	1	105.9470	0.000	1	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[4,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[4,6]C[4,6]C[4]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[4,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[4,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6a]C[6]C)(C[4,6]C[4,6]C[4]C)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[4,6]C[6]H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[4,6]C[6,6]C[6])	105.8840	0.000	1	105.8840	0.000	1	105.8840	0.000	1	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[6,6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[5,6]C[6]H)(C[5]C[5]2H)(C[6]C[6]HH)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[5a,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|S<2>,2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[5,6]C[6]H)(C[5]C[5]2H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,4|C<3>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.7830	0.000	1	107.7830	0.000	1	107.7830	0.000	1	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6]C)(C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[5a,6]C[6]C)(C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,1|S<2>,2|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.6005	0.122	2	106.6005	0.015	2	106.6005	0.015	2	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	104.6280	0.000	1	104.6280	0.000	1	105.7454	0.785	5	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|O<2>,4|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.5660	0.000	1	105.4075	0.050	2	105.7454	0.785	5	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|O<2>,4|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.2490	0.000	1	105.4075	0.050	2	105.7454	0.785	5	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.6420	0.083	2	106.6420	0.007	2	105.7454	0.785	5	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6]N[6]H)(CH3)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6]N[6]H)(CH3)(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]HH)(CH3){1|C<4>,1|N<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]2C)	108.8140	0.000	1	108.8140	0.000	1	108.8140	0.000	1	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.0690	0.000	1	105.0690	0.000	1	105.0690	0.000	1	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<2>,2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	105.9050	0.000	1	104.6003	0.293	16	104.6003	0.293	16	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	105.4210	0.000	1	104.6003	0.293	16	104.6003	0.293	16	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	104.7590	0.000	1	104.6003	0.293	16	104.6003	0.293	16	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	103.6340	0.000	1	104.6003	0.293	16	104.6003	0.293	16	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	104.3262	0.133	5	104.6003	0.293	16	104.6003	0.293	16	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	104.8790	0.270	2	104.6003	0.293	16	104.6003	0.293	16	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	104.1280	0.000	1	104.6003	0.293	16	104.6003	0.293	16	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	104.5920	0.238	4	104.6003	0.293	16	104.6003	0.293	16	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	103.5383	0.598	3	104.1846	0.391	8	104.1846	0.391	8	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.5724	0.059	5	104.1846	0.391	8	104.1846	0.391	8	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[3,5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[3,5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.7290	0.000	1	104.7290	0.000	1	104.4857	0.081	15	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.3410	0.000	1	104.3410	0.000	1	104.4857	0.081	15	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.5420	0.000	1	104.4782	0.088	13	104.4857	0.081	15	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.2710	0.168	2	104.4782	0.088	13	104.4857	0.081	15	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.0400	0.000	1	104.4782	0.088	13	104.4857	0.081	15	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.4523	0.399	3	104.4782	0.088	13	104.4857	0.081	15	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.2730	0.000	1	104.4782	0.088	13	104.4857	0.081	15	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.6924	0.197	5	104.4782	0.088	13	104.4857	0.081	15	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[3,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.8190	0.000	1	104.8190	0.000	1	104.9676	0.596	50	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	103.9740	0.000	1	104.2215	0.123	2	104.9676	0.596	50	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){5|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.4690	0.000	1	104.2215	0.123	2	104.9676	0.596	50	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.7610	0.103	3	104.7610	0.011	3	104.9676	0.596	50	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.5880	0.452	3	104.7217	0.204	30	104.9676	0.596	50	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.5570	0.000	1	104.7217	0.204	30	104.9676	0.596	50	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9027	0.576	4	104.7217	0.204	30	104.9676	0.596	50	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.5890	0.000	1	104.7217	0.204	30	104.9676	0.596	50	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.6920	0.000	1	104.7217	0.204	30	104.9676	0.596	50	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.7670	0.042	2	104.7217	0.204	30	104.9676	0.596	50	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.5105	1.069	4	104.7217	0.204	30	104.9676	0.596	50	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.8350	0.000	1	104.7217	0.204	30	104.9676	0.596	50	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.7078	0.192	4	104.7217	0.204	30	104.9676	0.596	50	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.0210	0.000	1	104.7217	0.204	30	104.9676	0.596	50	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.7270	0.000	1	104.7217	0.204	30	104.9676	0.596	50	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.0950	0.129	2	104.7217	0.204	30	104.9676	0.596	50	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.5830	0.209	2	104.7217	0.204	30	104.9676	0.596	50	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,4|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.5870	0.086	2	104.7217	0.204	30	104.9676	0.596	50	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9190	0.000	1	104.7217	0.204	30	104.9676	0.596	50	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){2|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.8170	0.000	1	104.8170	0.000	1	104.9676	0.596	50	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.2760	0.000	1	104.2760	0.000	1	104.9676	0.596	50	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.3650	0.000	2	106.0067	0.385	3	104.9676	0.596	50	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.2900	0.000	1	106.0067	0.385	3	104.9676	0.596	50	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.6723	0.139	4	104.6723	0.019	4	104.9676	0.596	50	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9020	0.000	1	106.6762	0.132	5	104.9676	0.596	50	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1210	0.000	1	106.6762	0.132	5	104.9676	0.596	50	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4605	0.360	2	106.6762	0.132	5	104.9676	0.596	50	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4370	0.000	1	106.6762	0.132	5	104.9676	0.596	50	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[5a]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[5a]C[6]C)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|S<2>,2|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.7280	0.339	2	104.7280	0.115	2	104.9358	0.831	92	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H)	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.1720	0.000	1	104.1720	0.000	1	104.9358	0.831	92	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0320	0.000	1	107.0320	0.000	1	104.9358	0.831	92	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.6690	0.000	1	104.7659	0.370	72	104.9358	0.831	92	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.4885	0.764	2	104.7659	0.370	72	104.9358	0.831	92	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.6947	0.051	4	104.7659	0.370	72	104.9358	0.831	92	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,5|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	103.7470	0.000	1	104.7659	0.370	72	104.9358	0.831	92	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<4>,4|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.6990	0.000	1	104.7659	0.370	72	104.9358	0.831	92	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9758	0.529	5	104.7659	0.370	72	104.9358	0.831	92	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.8445	0.064	2	104.7659	0.370	72	104.9358	0.831	92	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.7240	0.000	1	104.7659	0.370	72	104.9358	0.831	92	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9620	0.000	1	104.7659	0.370	72	104.9358	0.831	92	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.4550	0.000	1	104.7659	0.370	72	104.9358	0.831	92	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.8598	0.425	19	104.7659	0.370	72	104.9358	0.831	92	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.7952	0.740	26	104.7659	0.370	72	104.9358	0.831	92	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	103.7140	0.000	1	104.7659	0.370	72	104.9358	0.831	92	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|Se<2>,1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.3860	0.000	1	104.7659	0.370	72	104.9358	0.831	92	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.4088	0.717	6	104.7659	0.370	72	104.9358	0.831	92	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]N[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]N[6]HH)(H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|N<3>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	102.8880	0.000	1	102.8880	0.000	1	104.9358	0.831	92	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]O[6]HO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]O[6]HO)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	103.1005	0.120	2	103.1005	0.014	2	104.9358	0.831	92	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9400	0.000	1	106.3606	0.375	8	104.9358	0.831	92	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.4850	0.515	2	106.3606	0.375	8	104.9358	0.831	92	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.5950	0.231	5	106.3606	0.375	8	104.9358	0.831	92	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|N<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.7140	0.000	1	104.7140	0.000	1	104.9358	0.831	92	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9400	0.000	1	105.5595	0.768	2	104.9358	0.831	92	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.1790	0.000	1	105.5595	0.768	2	104.9358	0.831	92	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0810	0.000	1	107.0810	0.000	1	104.9358	0.831	92	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6a]C[6]H)(C[6]S[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CCCH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6a]C[6]H)(C[6]S[6]HH)(H){2|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CCCH){1|S<2>,4|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4050	0.000	1	107.4050	0.000	1	104.9358	0.831	92	104.9340	0.831	193	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:2:2:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]O[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(O[6]C[6])2(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]O[6]2H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(O[6]C[6])2(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.1290	0.000	1	106.1290	0.000	1	106.1290	0.000	1	107.8177	0.915	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:2:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4x6]C[6]H)(C[6,6]O[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[3x6])(O[6]C[6])(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[4x6]C[6]H)(C[6,6]O[6]2H)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[3x6])(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.0880	0.000	1	106.0880	0.000	1	106.0880	0.000	1	107.8177	0.915	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:2:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]O[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]O[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(O[6]C[6])(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8970	0.000	1	107.8970	0.000	1	107.8340	0.008	2	107.8177	0.915	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:2:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]O[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6])2(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]O[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6])2(H){1|C<3>,2|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7710	0.000	1	107.7710	0.000	1	107.8340	0.008	2	107.8177	0.915	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:2:2:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(C[6,6]O[6]2H)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(C[6,6]O[6]2H)(C[6]C[6]CH)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(O[6]C[6])(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0825	0.077	2	108.0825	0.006	2	108.2803	0.120	3	107.8177	0.915	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:2:2:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]O[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6])2(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]O[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6])2(H){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.6760	0.000	1	108.6760	0.000	1	108.2803	0.120	3	107.8177	0.915	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(C[6,6]O[6]2H)(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(C[6,6]O[6]2H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(O[6]C[6])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.3150	0.000	1	108.4837	0.087	3	108.4837	0.087	3	107.8177	0.915	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(C[6,6]O[6]2H)(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(C[6,6]O[6]2H)(H){1|H<1>,5|C<3>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(O[6]C[6])(H){3|H<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.5680	0.362	2	108.4837	0.087	3	108.4837	0.087	3	107.8177	0.915	10	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:2:2:4:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(C[6,6]O[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(O[6]C[6])(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(C[6,6]O[6]2C)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(O[6]C[6])(CH3){1|C<4>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8170	0.000	1	107.8170	0.000	1	107.8170	0.000	1	108.2850	0.438	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:2:2:4:	4:	C[6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:O[6]-2:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)2(C[6,6]O[6]2C)(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])2(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)2(C[6,6]O[6]2C)(H){4|C<3>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])2(CH3){4|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.7530	0.000	1	108.7530	0.000	1	108.7530	0.000	1	108.2850	0.438	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:2:3:1:	4:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:O[6]-2:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]H)(CH3)(H)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(C[6]C[6]H)(H)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]H)(CH3)(H){1|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]2C)	108.0180	0.000	1	108.0180	0.000	1	108.0180	0.000	1	107.9047	0.216	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:2:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HO)(H){1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7560	0.000	1	107.7560	0.000	1	107.9300	0.057	3	107.9047	0.216	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:2:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.0170	0.263	2	108.0170	0.069	2	107.9300	0.057	3	107.9047	0.216	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:2:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(N[6]C[6]S)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H){1|H<1>,1|S<4>,5|C<3>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(N[6]C[6]S)(H){3|H<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.9590	0.000	1	108.9590	0.000	1	108.9590	0.000	1	107.9047	0.216	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:2:3:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]N[6]O[6]H)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(N[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]N[6]O[6]H)(C[6]C[6]CH)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5320	0.000	1	107.5320	0.000	1	107.6855	0.047	2	107.9047	0.216	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:2:3:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]N[6]O[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(N[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]N[6]O[6]H)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(N[6]C[6]C)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8390	0.000	1	107.8390	0.000	1	107.6855	0.047	2	107.9047	0.216	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6]C[6a]H)2(C[6,6]N[6]O[6]H)(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[5,6])(N[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5,6]C[6a]H)2(C[6,6]N[6]O[6]H)(H){2|C<4>,8|C<3>}	C[6,6](C[6,6]C[6]2H)(O[6]C[5,6])(N[6]C[6]C)(H){1|C<4>,3|H<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.5020	0.141	2	107.5020	0.020	2	107.5020	0.020	2	107.9047	0.216	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:2:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:O[6,6]-2:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(O[6,6]C[6,6])(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(O[6,6]C[6,6])(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.4260	0.000	1	105.4260	0.000	1	105.4260	0.000	1	106.5273	3.181	3	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-2:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a])(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a])(C[6]C[6]HH)(H){2|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.5710	0.000	1	105.5710	0.000	1	105.5710	0.000	1	106.5273	3.181	3	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<2>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5850	0.000	1	108.5850	0.000	1	108.5850	0.000	1	106.5273	3.181	3	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:2:4:2:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6,6a]O[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(OH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6,6a]O[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(OH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	107.9890	0.000	1	107.9890	0.000	1	107.9890	0.000	1	107.8270	0.052	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:2:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6a]HN)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6a]HN)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(OH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6650	0.000	1	107.6650	0.000	1	107.6650	0.000	1	107.8270	0.052	2	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:2:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C[6]-4:N[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]O[6])(C[6]C[6,6a]HN)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(N[6]C[6]2)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]O[6])(C[6]C[6,6a]HN)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(N[6]C[6]2){1|N<3>,2|C<3>,3|C<4>,9|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0980	0.000	1	108.0980	0.000	1	108.0980	0.000	1	108.0980	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:2:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6,6a]O[6]H)(C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(H)	C[6,6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]3)	C[6,6](C[6,6]C[6,6,6a]O[6]H)(C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(H){3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]3)	106.0400	0.000	1	106.0400	0.000	1	106.0400	0.000	1	105.3023	0.341	20	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:2:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	105.3426	0.244	8	105.2807	0.130	10	105.2327	0.141	12	105.3023	0.341	20	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:2:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	105.0330	0.775	2	105.2807	0.130	10	105.2327	0.141	12	105.3023	0.341	20	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:2:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HO)(CH3){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	105.3420	0.000	1	104.9925	0.244	2	105.2327	0.141	12	105.3023	0.341	20	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:2:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HO)(CH3){2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	104.6430	0.000	1	104.9925	0.244	2	105.2327	0.141	12	105.3023	0.341	20	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.0360	0.252	2	105.0023	0.036	6	105.3163	0.720	7	105.3023	0.341	20	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H){1|C<4>,1|I<1>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.8790	0.081	2	105.0023	0.036	6	105.3163	0.720	7	105.3023	0.341	20	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.2690	0.000	1	105.0023	0.036	6	105.3163	0.720	7	105.3023	0.341	20	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9150	0.000	1	105.0023	0.036	6	105.3163	0.720	7	105.3023	0.341	20	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2000	0.000	1	107.2000	0.000	1	105.3163	0.720	7	105.3023	0.341	20	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCHH)(H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCHH)(H){2|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.5137	0.449	3	107.5137	0.202	3	107.7097	0.288	4	108.3469	0.557	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CClCH)(H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CClCH)(H){2|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.2980	0.000	1	108.2980	0.000	1	107.7097	0.288	4	108.3469	0.557	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]S[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]S[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2{1|C<4>,1|N<2>,1|S<2>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4925	0.361	2	108.4925	0.131	2	108.8566	0.167	5	108.3469	0.557	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2{1|C<4>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.9780	0.083	2	109.0993	0.048	3	108.8566	0.167	5	108.3469	0.557	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2{1|N<2>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.3420	0.000	1	109.0993	0.048	3	108.8566	0.167	5	108.3469	0.557	9	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6,6a]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6,6a]O[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6,6a]O[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	107.9280	0.000	1	107.9280	0.000	1	107.9280	0.000	1	103.1861	62.801	5	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:S[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]H)(S[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]H)(S[6]C[6])(H){3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	94.7348	3.041	2	94.7348	9.247	2	94.7348	9.247	2	103.1861	62.801	5	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(N[6]C[6]S)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(N[6]C[6]S)(O[6]C[6])(H){1|C<3>,2|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	110.4240	0.000	1	110.4240	0.000	1	109.2665	2.680	2	103.1861	62.801	5	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(N[6]C[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(N[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|S<1>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1090	0.000	1	108.1090	0.000	1	109.2665	2.680	2	103.1861	62.801	5	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:2:3:	4:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6a]-3:O[6]-2:N[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6a]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(CH3)(H)	C[6,6](C[6,6]C[6,6]CH)(C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]S)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[6a]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(CH3)(H){1|H<1>,1|S<4>,5|C<3>}	C[6,6](C[6,6]C[6,6]CH)(C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]S){4|H<1>,5|C<3>}	H(C[6,6]C[6,6]2C)	107.9040	0.000	1	107.9040	0.000	1	107.9040	0.000	1	107.9040	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:2:4:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(O[6]C[6,6a])(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(O[6]C[6,6a])(CH3){2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1360	0.000	1	107.1360	0.000	1	107.1360	0.000	1	107.1360	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]N[6]H)(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N)(N[6]C[6]C)(H)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]N[6]H)(C[6]N[6]HH)(H){1|N<2>,1|N<3>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N)(N[6]C[6]C)(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	108.5590	0.000	1	108.5590	0.000	1	108.5590	0.000	1	108.1680	0.158	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,5,6]C[6]H)(C[6]C[6]O)2(H)	H(C[6,6]C[5,5,6]C[6,6]C[6])	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<4>,2|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[5,5,6]C[6]H)(C[6]C[6]O)2(H){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[5,5,6]C[6,6]C[6])	107.8200	0.000	1	107.8200	0.000	1	107.8200	0.000	1	108.1680	0.158	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[5,6]2H)(C[6]C[6]H)2(H)	H(C[6,6]C[5,6]2C[6,6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2H)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]2H)(C[6]C[6]H)2(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[5,6]2C[6,6])	108.4190	0.000	1	108.4190	0.000	1	108.4190	0.000	1	108.1680	0.158	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(N[6]C[6]H)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(N[6]C[6]H)(H){1|N<3>,2|C<4>,9|H<1>}	H(C[6,6]C[6,6]2C[6])	108.4820	0.000	1	108.4820	0.000	1	108.4820	0.000	1	108.1680	0.158	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)(H){1|O<2>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5710	0.000	1	107.5710	0.000	1	107.8640	0.172	2	108.1680	0.158	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(N[6]C[6]S)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(N[6]C[6]S)(H){3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1570	0.000	1	108.1570	0.000	1	107.8640	0.172	2	108.1680	0.158	6	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:3:2:	4:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]O)(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(OH)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]O)(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){3|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(OH){1|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	108.5110	0.000	1	108.5110	0.000	1	108.5110	0.000	1	107.1643	1.360	11	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:3:2:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:N-2:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]N)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(NN)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]N)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(NN){1|C<3>,2|N<2>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.8280	0.000	1	106.8280	0.000	1	106.8280	0.000	1	107.1643	1.360	11	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:3:2:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O)(OH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2O)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O)(OH){4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.7095	0.202	2	105.7095	0.041	2	105.7095	0.041	2	107.1643	1.360	11	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:3:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:C-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]N)(CN)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]N)(CN){2|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3160	0.000	1	107.3160	0.000	1	107.3160	0.000	1	107.1643	1.360	11	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:3:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HH)(C[6]C[6]HN)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]O)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HH)(C[6]C[6]HN)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]O)(OH){1|C<4>,1|N<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.3920	0.000	3	106.3920	0.000	3	107.2908	1.515	5	107.1643	1.360	11	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:3:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HO)(C[6]C[6]HN)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]O)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HO)(C[6]C[6]HN)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]O)(OH){1|C<4>,1|N<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.6390	0.003	2	108.6390	0.000	2	107.2908	1.515	5	107.1643	1.360	11	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:3:2:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:O-2:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2O)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]O)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2O)(C[6]C[6]HO)(H){3|C<3>,3|O<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]O)(OH){1|O<2>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.2790	0.000	1	108.2790	0.000	1	108.2790	0.000	1	107.1643	1.360	11	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:3:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:N[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6a]N[6]2)(C[6]C[6a]N[6]H)2(H)	C[6,6](C[6,6]C[6]2H)(C[6a]C[6a]2)(N[6]C[6]H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6a]N[6]2)(C[6]C[6a]N[6]H)2(H){4|H<1>,8|C<3>}	C[6,6](C[6,6]C[6]2H)(C[6a]C[6a]2)(N[6]C[6]H)2{2|N<3>,2|O<1>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2340	0.000	1	108.2340	0.000	1	108.2340	0.000	1	108.2340	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	103.8590	0.000	1	103.8590	0.000	1	105.4544	1.456	31	105.5674	1.526	35	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){2|C<3>,2|H<1>,2|O<2>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	103.7270	0.000	1	103.7270	0.000	1	105.4544	1.456	31	105.5674	1.526	35	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.0820	0.000	1	105.0820	0.000	1	105.4544	1.456	31	105.5674	1.526	35	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	106.1758	0.349	14	106.1822	0.139	17	105.4544	1.456	31	105.5674	1.526	35	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.5950	0.000	1	106.1822	0.139	17	105.4544	1.456	31	105.5674	1.526	35	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.6910	0.000	1	106.1822	0.139	17	105.4544	1.456	31	105.5674	1.526	35	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){2|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.3500	0.000	1	106.1822	0.139	17	105.4544	1.456	31	105.5674	1.526	35	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.6406	1.605	8	104.6406	2.575	8	105.4544	1.456	31	105.5674	1.526	35	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.9920	0.000	1	104.9920	0.000	1	105.4544	1.456	31	105.5674	1.526	35	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){1|O<2>,3|H<1>,8|C<4>}	H(C[6,6]C[6,6]2C[6])	103.6510	0.000	1	103.6510	0.000	1	105.4544	1.456	31	105.5674	1.526	35	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6])(C[6]O[6]H)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|O<2>,3|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6])(C[6]O[6]H)(CH3){3|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.5520	0.000	1	105.5520	0.000	1	105.4544	1.456	31	105.5674	1.526	35	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2)(CH3){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	107.4030	0.000	1	107.4030	0.000	1	107.4030	0.000	1	105.5674	1.526	35	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|O<1>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]H)(CH3){1|C<3>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.3590	0.010	2	105.3590	0.000	2	106.1237	1.754	3	105.5674	1.526	35	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]N[6]O)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,2|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6530	0.000	1	107.6530	0.000	1	106.1237	1.754	3	105.5674	1.526	35	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[3x6]-4:C[3,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3,6]C[3,6]O[3]H)(C[6,6]N[6,6]C[6]H)(H)	C[6,6](C[6,6]C[3,6]C[3x6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6,6]C[3,6]C[3x6]C[6,6])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3,6]C[3,6]O[3]H)(C[6,6]N[6,6]C[6]H)(H){1|C<3>,3|H<1>,6|C<4>}	C[6,6](C[6,6]C[3,6]C[3x6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[3,6]C[3x6]C[6,6])	108.0250	0.000	1	108.0250	0.000	1	108.0250	0.000	1	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[3x6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(C[3x6]C[6,6]2)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[3x6]C[6,6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	H(C[6,6]C[3x6]C[6,6]C[6])	107.5330	0.000	1	107.5330	0.000	1	107.5330	0.000	1	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[3x6]C[6,6]C[6])	107.5370	0.253	2	107.5370	0.064	2	107.5370	0.064	2	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]O[6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[3x6]O[6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){4|H<1>,6|C<4>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,9|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	107.8915	0.057	2	107.8915	0.003	2	107.2079	0.368	18	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<4>,1|O<1>,3|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	105.8450	0.000	1	107.0478	0.290	14	107.2079	0.368	18	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	107.4690	0.000	1	107.0478	0.290	14	107.2079	0.368	18	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	107.3450	0.000	1	107.0478	0.290	14	107.2079	0.368	18	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|S<2>,3|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	107.4660	0.000	1	107.0478	0.290	14	107.2079	0.368	18	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	106.9924	0.427	5	107.0478	0.290	14	107.2079	0.368	18	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,1|N<4>,2|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	107.4610	0.000	1	107.0478	0.290	14	107.2079	0.368	18	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<4>,1|O<1>,3|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	106.6440	0.000	1	107.0478	0.290	14	107.2079	0.368	18	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|N<4>,1|O<1>,2|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	106.4540	0.000	1	107.0478	0.290	14	107.2079	0.368	18	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	107.6080	0.000	1	107.0478	0.290	14	107.2079	0.368	18	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	107.4150	0.000	1	107.0478	0.290	14	107.2079	0.368	18	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HO)(H)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	107.0060	0.000	1	107.0060	0.000	1	107.2079	0.368	18	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]N[3x6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]N[3x6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|N<3>,3|C<4>,8|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	108.2840	0.000	1	108.2840	0.000	1	107.2079	0.368	18	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[5,5,6]C[5,6]H)(C[6]C[5,6,6]O)(C[6]C[5,6]HH)(H)	H(C[6,6]C[5,5,6]C[5,6]C[6,6])	C[6,6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(H){1|C<3>,1|O<1>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,5,6]C[5,6]H)(C[6]C[5,6,6]O)(C[6]C[5,6]HH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[5,5,6]C[5,6]C[6,6])	106.0560	0.000	1	106.0560	0.000	1	106.0560	0.000	1	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){5|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.2300	0.000	1	107.5710	0.869	2	107.5710	0.869	2	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.9120	0.000	1	107.5710	0.869	2	107.5710	0.869	2	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.3800	0.000	1	106.7920	0.400	4	106.7920	0.400	4	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	107.7320	0.000	1	106.7920	0.400	4	106.7920	0.400	4	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.5280	0.078	2	106.7920	0.400	4	106.7920	0.400	4	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6,6a]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6,6a]C[6]H)(C[6,6]C[6,6a]O[6]H)(C[6]O[6]CC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6,6a]C[6]H)(C[6,6]C[6,6a]O[6]H)(C[6]O[6]CC)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(H){1|H<1>,3|C<3>,3|O<2>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	106.7770	0.000	1	106.7770	0.000	1	106.7770	0.000	1	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]FH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]FH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|F<1>,2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.2640	0.000	1	106.2640	0.000	1	106.7397	0.165	26	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	106.6706	0.389	17	106.7197	0.145	20	106.7397	0.165	26	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	106.7900	0.000	1	106.7197	0.145	20	106.7397	0.165	26	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	107.1210	0.000	1	106.7197	0.145	20	106.7397	0.165	26	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	107.0830	0.000	1	106.7197	0.145	20	106.7397	0.165	26	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.7090	0.000	1	106.7090	0.000	1	106.7397	0.165	26	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.4690	0.000	1	106.4690	0.000	1	106.7397	0.165	26	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2Br)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2Br)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){1|Br<1>,2|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	107.4345	0.187	2	107.4345	0.035	2	106.7397	0.165	26	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.5270	0.000	1	106.5270	0.000	1	106.7397	0.165	26	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:N[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(N[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(N[6]C[6]HH)(H){1|N<4>,2|C<4>,9|H<1>}	H(C[6,6]C[6,6]2C[6])	107.6700	0.000	1	107.6700	0.000	1	107.6700	0.000	1	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]N)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]N)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.5530	0.000	1	106.5530	0.000	1	106.5530	0.000	1	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]CH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]CH)(H){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<4>,1|O<1>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	106.8420	0.000	1	106.8420	0.000	1	107.5799	0.725	12	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	108.2350	0.000	1	107.7097	0.824	9	107.5799	0.725	12	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){10|H<1>,1|N<3>,2|C<4>}	H(C[6,6]C[6,6]2C[6])	106.1560	0.000	1	107.7097	0.824	9	107.5799	0.725	12	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<2>,1|N<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	106.0780	0.000	1	107.7097	0.824	9	107.5799	0.725	12	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	H(C[6,6]C[6,6]2C[6])	108.1530	0.110	6	107.7097	0.824	9	107.5799	0.725	12	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6a]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6a]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){10|H<1>,1|N<3>,2|C<4>}	H(C[6,6]C[6,6]2C[6])	106.8220	0.000	1	106.8220	0.000	1	107.5799	0.725	12	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	107.9080	0.000	1	107.9080	0.000	1	107.5799	0.725	12	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]O)(C[6]O[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]O)(C[6]O[6]HH)(H){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.0170	0.000	1	106.0170	0.000	1	106.6937	1.869	3	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.7970	0.000	1	105.7970	0.000	1	106.6937	1.869	3	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HN)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HN)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2670	0.000	1	108.2670	0.000	1	106.6937	1.869	3	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H){2|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.6250	0.000	1	106.6250	0.000	1	106.4130	0.037	3	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]H)(C[6]C[6]HH)(H){2|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.2530	0.000	1	106.2530	0.000	1	106.4130	0.037	3	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]C)(C[6]C[6]CH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]C)(C[6]C[6]CH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.3610	0.000	1	106.3610	0.000	1	106.4130	0.037	3	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[5,6]-4:C[5,6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]N[5,6]H)(C[6]C[5,6]CO)(C[6]C[6]HH)(H)	C[6,6](N[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]N[5,6]H)(C[6]C[5,6]CO)(C[6]C[6]HH)(H){1|C<3>,2|H<1>,6|C<4>}	C[6,6](N[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H){1|O<2>,7|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9900	0.000	1	104.9900	0.000	1	104.9900	0.000	1	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Pd)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6]N[6,6]HH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Pd)(C[6]C[6]HH)(H){1|N<4>,2|C<4>,9|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6]N[6,6]HH)(H){1|Pd<5>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	109.5965	5.073	2	109.5965	25.740	2	109.5965	25.740	2	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[3,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]O)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[3,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]O)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2290	0.000	1	108.2290	0.000	1	108.1765	0.346	10	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|C<3>,2|H<1>,6|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]C)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1980	0.000	1	107.1980	0.000	1	108.1765	0.346	10	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]HH)(H){2|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.6140	0.000	1	107.6140	0.000	1	108.1765	0.346	10	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6550	0.000	1	107.6550	0.000	1	108.1765	0.346	10	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3315	0.064	2	108.3315	0.004	2	108.1765	0.346	10	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]O[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]O[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.1220	0.000	1	109.1220	0.000	1	108.1765	0.346	10	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>,3|O<2>}	H(C[6,6]C[6,6]C[6]2)	108.1640	0.110	2	108.1640	0.012	2	108.1765	0.346	10	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,3|H<1>,3|O<2>}	H(C[6,6]C[6,6]C[6]2)	108.9560	0.000	1	108.9560	0.000	1	108.1765	0.346	10	107.2045	1.057	89	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:2:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	106.2990	0.000	1	106.3040	0.000	2	106.3040	0.000	2	106.8250	1.373	5	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:2:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	106.3090	0.000	1	106.3040	0.000	2	106.3040	0.000	2	106.8250	1.373	5	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:C-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]N[5,6]O)(C[6]C[6]HH)(CN)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CC)(H){1|N<3>,2|C<4>,2|O<1>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[5,6]O)(C[6]C[6]HH)(CN){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.4770	0.000	1	105.4770	0.000	1	105.4770	0.000	1	106.8250	1.373	5	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]N[5,6]O)(C[6]C[6]HH)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[5,6]O)(C[6]C[6]HH)(OH){3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6480	0.000	1	107.6480	0.000	1	107.6480	0.000	1	106.8250	1.373	5	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:O[6]-2:	C[6,6]-4:	C[6,6](C[6,6]C[6a]C[6]O[6])(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6a]C[6]O[6])(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,4|C<3>,9|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3920	0.000	1	108.3920	0.000	1	108.3920	0.000	1	106.8250	1.373	5	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:3:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(COO)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(COO){1|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	106.6360	0.000	1	106.6360	0.000	1	106.6360	0.000	1	106.6360	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[5,3x6]C[6]H)(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(CH3)	H(C[6,6]C[5,3x6]C[6,6]C[6])	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H){3|C<3>,3|C<4>,3|O<2>,6|H<1>}	C[6,6](C[6,6]C[5,3x6]C[6]H)(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(CH3){2|C<3>,2|O<2>,4|H<1>,5|C<4>}	H(C[6,6]C[5,3x6]C[6,6]C[6])	101.9750	0.000	1	101.9750	0.000	1	101.9750	0.000	1	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]O)(C[6]C[6]CH)(CH3)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]O)(C[6]C[6]CH)(CH3){2|H<1>,2|O<2>,6|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	105.9590	0.000	1	105.7175	0.117	2	105.7175	0.117	2	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]O)(C[6]C[6]CH)(CH3)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]O)(C[6]C[6]CH)(CH3){1|O<2>,3|H<1>,6|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	105.4760	0.000	1	105.7175	0.117	2	105.7175	0.117	2	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|N<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.3390	0.000	1	105.3390	0.000	1	105.3390	0.000	1	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[3x6]C[6,6]2O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[3x6]C[6,6]2O)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3){2|H<1>,2|O<2>,6|C<4>}	H(C[6,6]C[3x6]C[6,6]C[6])	106.0515	0.585	2	106.0515	0.342	2	106.0515	0.342	2	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[5,6]C[5]2C[6])(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[5,6]C[5]2C[6])(C[6]C[6]HO)(H){1|C<3>,2|O<2>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3){1|O<2>,4|H<1>,7|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	102.7110	0.000	1	102.7110	0.000	1	102.7110	0.000	1	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.7000	0.453	2	104.9528	0.113	5	104.9528	0.113	5	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3){1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.1670	0.000	1	104.9528	0.113	5	104.9528	0.113	5	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.2250	0.000	1	104.9528	0.113	5	104.9528	0.113	5	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3){1|C<3>,1|O<1>,3|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.9720	0.000	1	104.9528	0.113	5	104.9528	0.113	5	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5a,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3){1|N<2>,1|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	105.3220	1.850	2	105.3220	3.422	2	105.3220	3.422	2	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	104.1010	0.000	1	104.1010	0.000	1	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	106.3960	0.000	1	106.3960	0.000	1	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[3,6]C[6])(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[3,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	105.8140	0.000	1	106.2557	0.513	3	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[3,6]C[6])(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[3,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	106.4765	0.856	2	106.2557	0.513	3	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	106.7810	0.000	1	106.7810	0.000	1	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5a,6]C[6])(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5a,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|S<2>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.5483	0.133	3	106.5483	0.018	3	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.6370	0.221	3	106.6370	0.049	3	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	105.8867	0.631	3	106.1044	0.164	215	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	106.1319	0.272	7	106.1044	0.164	215	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|S<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	105.8720	0.485	5	106.1044	0.164	215	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	106.7130	0.000	1	106.1044	0.164	215	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	106.9630	0.000	1	106.1044	0.164	215	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	103.4670	0.000	1	106.1044	0.164	215	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	105.9980	0.000	1	106.1044	0.164	215	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	105.9603	0.330	44	106.1044	0.164	215	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	106.0040	0.000	1	106.1044	0.164	215	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|Cl<1>,1|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	107.4490	0.000	1	106.1044	0.164	215	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|N<3>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	106.3095	0.040	2	106.1044	0.164	215	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	106.1427	0.353	3	106.1044	0.164	215	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	106.1568	0.317	128	106.1044	0.164	215	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	104.9630	0.000	1	106.1044	0.164	215	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	105.5460	0.000	1	106.1044	0.164	215	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|Br<1>,2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.4620	0.000	1	106.1044	0.164	215	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	106.5410	0.030	2	106.1044	0.164	215	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	105.9445	0.036	2	106.1044	0.164	215	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<2>,1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.4145	0.380	2	106.1044	0.164	215	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.3894	0.263	5	106.1044	0.164	215	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.5470	0.000	1	106.1044	0.164	215	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.9310	0.000	1	106.1044	0.164	215	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	106.3540	0.000	1	106.1044	0.164	215	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO){4|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	106.0320	0.000	1	106.0320	0.000	1	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	105.6750	0.000	1	105.6750	0.000	1	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HS)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|S<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HS)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	105.2040	0.000	1	105.2040	0.000	1	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]O[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]O[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.2115	0.131	2	106.0353	0.049	4	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]O[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]O[6]HH)(CH3){1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.8590	0.079	2	106.0353	0.049	4	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	105.5001	0.874	8	105.3238	0.737	10	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.6185	0.223	2	105.3238	0.737	10	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO){1|C<3>,1|F<1>,1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.6700	0.000	1	105.3585	0.194	2	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.0470	0.000	1	105.3585	0.194	2	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	104.2545	0.039	2	104.2545	0.002	2	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	106.1260	0.000	1	106.1828	0.072	6	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	106.1133	0.250	3	106.1828	0.072	6	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	106.3155	0.425	2	106.1828	0.072	6	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	106.7975	0.425	2	106.7975	0.181	2	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	105.7390	0.240	4	105.7390	0.058	4	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	106.1670	0.000	1	105.1340	2.134	2	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.1010	0.000	1	105.1340	2.134	2	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	106.0235	0.078	2	106.4032	0.194	4	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	106.7830	0.008	2	106.4032	0.194	4	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.4880	0.242	4	104.4880	0.059	4	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	105.3600	0.000	1	105.3600	0.000	1	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.0090	0.000	1	105.0090	0.000	1	106.0273	0.304	272	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]C)(C[6]C[5a,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6]C[5a,6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]C)(C[6]C[5a,6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6]C[5a,6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.9820	0.383	2	106.9820	0.147	2	106.9820	0.147	2	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CO)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.6710	0.000	1	105.6710	0.000	1	105.5935	1.282	4	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]O)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]O)(C[6]C[6]HH)(CH3){1|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.8240	0.000	1	104.8240	0.000	1	105.5935	1.282	4	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]HO)(CH3){1|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.7130	0.000	1	104.7130	0.000	1	105.5935	1.282	4	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]O)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]O)(C[6]C[6]HH)(CH3){4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1660	0.000	1	107.1660	0.000	1	105.5935	1.282	4	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5a,6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5a,6]H)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	103.8560	0.000	1	103.8560	0.000	1	103.8560	0.000	1	105.9679	0.451	293	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3,6]C[3,6]C[3]C)(C[6,6]C[3x6]HH)(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[3,6]C[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3,6]C[6,6]C[6])	C[6,6](C[3,6]C[3,6]C[3]C)(C[6,6]C[3x6]HH)(C[6]N[6]HH)(H){2|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,4|H<1>,5|C<4>}	H(C[6,6]C[3,6]C[6,6]C[6])	108.9490	0.000	1	108.9490	0.000	1	108.9490	0.000	1	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(CCHO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(CCHO)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.0135	0.084	4	107.0135	0.007	4	107.1363	2.793	38	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CCCH)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.3460	0.000	1	107.6970	0.246	2	107.1363	2.793	38	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CCCH)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CCCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.0480	0.000	1	107.6970	0.246	2	107.1363	2.793	38	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CH3)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	98.2245	0.000	1	98.2245	0.000	1	107.1363	2.793	38	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CH3)(H)	C[6,6](C[3x6]N[5,6,6]N[6,6]H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	C[6,6](C[3x6]N[5,6,6]N[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]C)	108.4960	0.000	1	108.4960	0.000	1	107.1363	2.793	38	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(CHHN)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(CHHN)(H){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(H)2{1|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]C)	108.3730	0.000	1	108.3730	0.000	1	107.1363	2.793	38	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CH3)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CH3)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.1370	0.000	1	108.1370	0.000	1	107.1363	2.793	38	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CCHO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CCHO)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.2740	0.000	1	108.2740	0.000	1	107.1363	2.793	38	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H){1|B<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]C)	107.1347	0.075	3	106.8598	0.263	13	107.1363	2.793	38	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H){1|B<4>,1|N<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	106.5876	0.411	8	106.8598	0.263	13	107.1363	2.793	38	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(H)2{1|C<2>,1|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.8730	0.000	1	106.8598	0.263	13	107.1363	2.793	38	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H){1|Se<1>,1|N<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.2000	0.000	1	106.8598	0.263	13	107.1363	2.793	38	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H){1|C<3>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6,6]C[3x6]C[6,6]C)	107.4420	0.000	1	107.4420	0.000	1	107.1363	2.793	38	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CH3)(H)	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CH3)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.5840	0.000	1	107.5840	0.000	1	107.1363	2.793	38	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	105.5240	0.000	1	107.5493	0.898	10	107.1363	2.793	38	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.5613	0.926	4	107.5493	0.898	10	107.1363	2.793	38	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.2445	0.076	2	107.5493	0.898	10	107.1363	2.793	38	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.0210	0.000	1	107.5493	0.898	10	107.1363	2.793	38	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.9280	0.000	1	107.5493	0.898	10	107.1363	2.793	38	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|N<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.2860	0.000	1	107.5493	0.898	10	107.1363	2.793	38	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CHHO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CHHO)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.7650	0.000	1	108.7650	0.000	1	107.1363	2.793	38	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]HH)(CCHH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]HH)(CCHH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]C)	107.7660	0.000	1	107.7660	0.000	1	107.1363	2.793	38	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[4x6]HH)(CH3)(H)	C[6,6](C[4x6]C[3x6]C[6,6]O[6])(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[4x6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6,6](C[4x6]C[3x6]C[6,6]O[6])(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]C)	107.8550	0.000	1	107.8550	0.000	1	107.8550	0.000	1	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[5,3x6]HH)(CHHO)(H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[5,3x6]HH)(CHHO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[3x6]C[6,6]C)	110.9100	0.000	1	110.9100	0.000	1	108.7930	3.454	3	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]HH)(CH3)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]C)	107.7345	0.431	2	107.7345	0.185	2	108.7930	3.454	3	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[5,5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[5,5,3x6]HH)(CH3)(H)	C[6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O[5])(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[5,5,3x6]HH)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C[6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O[5])(C[6,6]C[3x6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]C)	109.7720	0.000	1	109.7720	0.000	1	109.0263	0.445	3	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[5,5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,5,3x6]HH)(CH3)(H)	C[6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O[5])(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,5,3x6]HH)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C[6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O[5])(C[6,6]C[3x6]CH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]C)	108.6535	0.235	2	108.6535	0.055	2	109.0263	0.445	3	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CHHO)(H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CHHO)(H){2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]C)	106.7460	0.000	1	107.0265	0.623	4	107.0265	0.623	4	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CHHO)(H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CHHO)(H){2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|N<4>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]C)	107.1200	0.939	3	107.0265	0.623	4	107.0265	0.623	4	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCHH)(H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2B)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCHH)(H){1|B<4>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2B)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.9355	0.050	2	107.9355	0.003	2	102.5699	86.371	3	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CH3)(H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CH3)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	91.8386	0.000	1	91.8386	0.000	1	102.5699	86.371	3	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	N[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(CCHH)(H)	C[6,6](N[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(CCHH)(H){3|C<4>,4|H<1>}	C[6,6](N[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(H)2{4|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.3090	0.000	1	108.3090	0.000	1	108.3090	0.000	1	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:N-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(NH3)(H)	C[6,6](C[6,6]C[3x6]HN)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]N)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(NH3)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HN)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]N)	108.3995	1.636	6	108.3995	2.676	6	108.3995	2.676	6	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:P-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(PC[6]2B)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HP)(H)2	H(C[6,6]C[3x6]C[6,6]P)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(PC[6]2B)(H){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HP)(H)2{1|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]P)	104.3000	0.000	1	104.3000	0.000	1	104.3000	0.000	1	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CHHN)(H)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)2	H(C[6,6]C[4,6,6]C[6,6]C)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CHHN)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]C)	106.1713	0.831	7	106.1713	0.691	7	107.5123	1.598	23	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CHHS)(H)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)2	H(C[6,6]C[4,6,6]C[6,6]C)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CHHS)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]C)	107.1230	1.527	2	107.1230	2.333	2	107.5123	1.598	23	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CSnHH)(H)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)2	H(C[6,6]C[4,6,6]C[6,6]C)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CSnHH)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]C)	108.2384	0.804	14	108.2384	0.647	14	107.5123	1.598	23	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CHHO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(H)2	H(C[6,6]C[4x6]C[6,6]C)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CHHO)(H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[4x6]C[6,6]C)	107.8093	0.685	3	107.8093	0.469	3	107.9752	0.120	17	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]N[3x6]H)(C[6,6]C[3x6]HH)(CCHO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(H)2	H(C[6,6]C[4x6]C[6,6]C)	C[6,6](C[4x6]C[3x6]N[3x6]H)(C[6,6]C[3x6]HH)(CCHO)(H){1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[6,6]C[4x6]C[6,6]C)	107.6390	0.000	1	107.6390	0.000	1	107.9752	0.120	17	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2	H(C[6,6]C[4x6]C[6,6]C)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6,6]C[4x6]C[6,6]C)	108.2147	0.086	4	108.0394	0.061	13	107.9752	0.120	17	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2	H(C[6,6]C[4x6]C[6,6]C)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6,6]C[4x6]C[6,6]C)	107.7825	0.265	4	108.0394	0.061	13	107.9752	0.120	17	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2	H(C[6,6]C[4x6]C[6,6]C)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6,6]C[4x6]C[6,6]C)	107.9605	0.037	2	108.0394	0.061	13	107.9752	0.120	17	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2	H(C[6,6]C[4x6]C[6,6]C)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2{1|O<2>,2|C<3>,2|C<4>}	H(C[6,6]C[4x6]C[6,6]C)	108.2360	0.000	1	108.0394	0.061	13	107.9752	0.120	17	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2	H(C[6,6]C[4x6]C[6,6]C)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6,6]C[4x6]C[6,6]C)	108.2880	0.000	1	108.0394	0.061	13	107.9752	0.120	17	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2	H(C[6,6]C[4x6]C[6,6]C)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6,6]C[4x6]C[6,6]C)	108.0780	0.000	1	108.0394	0.061	13	107.9752	0.120	17	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[5,6,6]HH)(C[6]C[5,6]CO)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,5,6]H)(C[6,6]C[5,6]C[6]H)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[5,6,6]HH)(C[6]C[5,6]CO)(H){1|N<2>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,5,6]H)(C[6,6]C[5,6]C[6]H)(H)2{2|O<2>,3|C<4>,4|C<3>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.6320	0.000	1	108.6320	0.000	1	108.6320	0.000	1	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5a,6]S[5]2)(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[5,6]C[6]H)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5a,6]S[5]2)(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|N<3>}	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[5,6]C[6]H)(H)2{1|H<1>,2|C<4>,2|S<2>,3|C<3>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.7870	0.000	1	107.7870	0.000	1	108.3654	1.105	5	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5a,6]S[5]2)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[5,6]C[6]H)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5a,6]S[5]2)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|N<3>}	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[5,6]C[6]H)(H)2{1|C<4>,2|H<1>,2|S<2>,3|C<3>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.9870	1.752	2	108.9870	3.070	2	108.3654	1.105	5	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)2(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)2(H)2{2|C<4>,4|H<1>,4|O<2>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.0330	0.143	2	108.0330	0.020	2	108.3654	1.105	5	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[3x6]-4:C-4:H-1:	N[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[5,3x6]HH)(C[3x6]C[6,6]2H)(CCHH)(H)	C[6,6](N[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[6,6]N[5,3x6]HH)(C[3x6]C[6,6]2H)(CCHH)(H){3|C<4>,4|H<1>}	C[6,6](N[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(H)2{4|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.2280	0.000	1	107.2280	0.000	1	107.2280	0.000	1	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:B-4:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(BN[5]3)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]BH)(H)2	H(C[6,6]C[6,6]2B)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(BN[5]3)(H){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]BH)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[6,6]2B)	103.1900	0.000	1	103.1900	0.000	1	103.1900	0.000	1	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:B[6]-4:H-1:	C[6,6]-4:C[4,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(B[6]N[6]O[6]F)(H)	C[6,6](C[6,6]C[6,6]B[6]H)(C[4,6,6]C[4,6]2H)(H)2	H(C[6,6]C[6,6]2B[6])	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(B[6]N[6]O[6]F)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]B[6]H)(C[4,6,6]C[4,6]2H)(H)2{1|F<1>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]2B[6])	105.8845	0.569	2	105.8845	0.324	2	105.8845	0.324	2	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:Br-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]BrH)(C[6]C[6]HH)(H)	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)(Br)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]BrH)(C[6]C[6]HH)(H){1|Br<1>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)(Br)(H){5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	108.8350	0.000	1	108.8350	0.000	1	108.8350	0.000	1	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6]C[6]CN)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6]C[6]CN)(H){1|O<2>,2|C<4>,2|N<3>,5|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|H<1>,1|N<2>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	108.0220	0.000	1	108.0220	0.000	1	108.0220	0.000	1	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	112.1230	0.000	1	111.3865	1.085	2	108.2838	3.561	95	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{1|C<3>,1|C<4>,2|N<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	110.6500	0.000	1	111.3865	1.085	2	108.2838	3.561	95	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]CH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]CH)(H){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{1|N<3>,1|N<4>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.8050	0.000	1	106.6085	0.077	2	108.2838	3.561	95	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]CH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]CH)(H){5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{2|N<4>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.4120	0.000	1	106.6085	0.077	2	108.2838	3.561	95	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{1|O<1>,2|N<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]2C[6])	108.3230	0.000	1	108.3077	3.563	86	108.2838	3.561	95	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{1|N<3>,1|N<4>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	109.3980	0.000	1	108.3077	3.563	86	108.2838	3.561	95	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Cu<4>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{2|C<4>,2|N<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.9028	1.662	6	108.3077	3.563	86	108.2838	3.561	95	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Cu<5>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{2|C<4>,2|N<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	108.5403	0.810	3	108.3077	3.563	86	108.2838	3.561	95	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Hg<4>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{2|C<4>,2|N<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.2525	0.211	2	108.3077	3.563	86	108.2838	3.561	95	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Li<4>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{2|C<4>,2|N<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	108.0963	1.925	15	108.3077	3.563	86	108.2838	3.561	95	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Ni<4>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{2|C<4>,2|N<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.7850	0.263	2	108.3077	3.563	86	108.2838	3.561	95	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Pd<4>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{2|C<4>,2|N<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	108.7352	2.598	30	108.3077	3.563	86	108.2838	3.561	95	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Rh<6>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{2|C<4>,2|N<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.2370	0.290	2	108.3077	3.563	86	108.2838	3.561	95	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Zn<4>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{2|C<4>,2|N<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.4946	0.199	7	108.3077	3.563	86	108.2838	3.561	95	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{2|C<4>,2|N<3>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	111.0690	2.041	2	108.3077	3.563	86	108.2838	3.561	95	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{1|N<3>,1|N<4>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	108.1415	0.262	12	108.3077	3.563	86	108.2838	3.561	95	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{2|C<4>,2|N<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.7500	0.392	2	108.3077	3.563	86	108.2838	3.561	95	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{2|N<4>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	107.8510	0.000	1	108.3077	3.563	86	108.2838	3.561	95	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6a]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6a]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.8290	0.000	1	107.1395	0.136	4	108.2838	3.561	95	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6a]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6a]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|N<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	107.2430	0.375	3	107.1395	0.136	4	108.2838	3.561	95	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(H)2{1|C<4>,2|N<3>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	107.9560	0.000	1	107.9560	0.000	1	108.2838	3.561	95	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:N-4:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NPdHH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(H)2	H(C[6,6]C[6,6]2N)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NPdHH)(H){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[6,6]2N)	106.9240	0.143	2	106.9240	0.020	2	106.9240	0.020	2	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:N[6]-4:H-1:	C[6,6]-4:C[4,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[6]C[6]2H)(H)	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(H)2	H(C[6,6]C[6,6]2N[6])	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[6]C[6]2H)(H){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(H)2{1|O<2>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2N[6])	106.1550	0.000	1	106.1550	0.000	1	106.1550	0.000	1	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(C[6]C[3,5,6]HH)(C[6]C[6,6]HH)(H)	C[6,6](C[3x6]C[3,5,6,6]C[6,6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]HH)(C[6]C[3,5,6]HH)(C[6]C[6,6]HH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[3,5,6,6]C[6,6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6500	0.000	1	107.6500	0.000	1	107.6630	0.000	2	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(C[6]C[3,6]HH)(C[6]C[6,6]HH)(H)	C[6,6](C[3x6]C[3,5,6,6]C[6,6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]HH)(C[6]C[3,6]HH)(C[6]C[6,6]HH)(H){3|H<1>,4|C<4>}	C[6,6](C[3x6]C[3,5,6,6]C[6,6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6760	0.000	1	107.6760	0.000	1	107.6630	0.000	2	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6,6](C[4,6,6]C[3,4,6]C[4,6,6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[4,6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[4,6,6]C[3,4,6]C[4,6,6]H)(C[6,6]C[6]2H)(H)2{2|N<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6780	0.000	1	107.6780	0.000	1	108.2565	2.428	4	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[4,6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[6]2H)(H)2{2|C<4>,2|N<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	110.5830	0.000	1	110.5830	0.000	1	108.2565	2.428	4	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[4,6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3825	0.091	2	107.3825	0.008	2	108.2565	2.428	4	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]CC)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]CC)(H){1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6]2H)(H)2{2|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3310	0.000	1	108.3310	0.000	1	108.0645	0.159	4	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6]2H)(H)2{3|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2240	0.000	1	108.2240	0.000	1	108.0645	0.159	4	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]HH)2(H)	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]HH)2(H){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2320	0.000	1	108.2320	0.000	1	108.0645	0.159	4	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)	C[6,6](C[5,6,6]C[5,6,6]O[5,6]C)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6,6]HH)(C[6]N[5,6]HH)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[5,6,6]C[5,6,6]O[5,6]C)(C[6,6]C[6]2H)(H)2{1|N<4>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4710	0.000	1	107.4710	0.000	1	108.0645	0.159	4	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:Br-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]BrH)(C[6]C[6]BrH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(Br)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]BrH)(C[6]C[6]BrH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)2(Br)(H){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4160	0.000	1	108.4160	0.000	1	108.4160	0.000	1	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]B[5]C[6]H)(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]B[5]C[6]H)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[6,6](C[6,6]C[6]2H)2(H)2{1|B<3>,1|H<1>,1|O<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.8170	0.000	1	106.8170	0.000	1	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]B[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]B[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)2{1|B<4>,1|C<3>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1870	0.041	2	108.1870	0.002	2	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]B[6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]B[6]HH)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)2(H)2{1|B<4>,1|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7903	1.667	4	107.7903	2.778	4	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[3,6]HH)2(H)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[3,6]HH)2(H){7|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)2{2|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1650	0.000	1	107.1650	0.000	1	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6,6](C[6,6]C[6]2H)2(H)2{1|C<3>,2|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0660	0.000	1	108.0660	0.000	1	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7690	0.000	1	107.7690	0.000	1	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6,6](C[6,6]C[6]2H)2(H)2{1|C<3>,2|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8420	0.000	1	107.8420	0.000	1	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]CC)(H){1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|H<1>,1|N<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.9940	0.000	1	108.4605	4.301	2	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]CC)(H){1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	109.9270	0.000	1	108.4605	4.301	2	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(H)2{3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0260	0.000	1	107.0260	0.000	1	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1260	0.000	1	108.1260	0.000	1	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(C[6]C[6,6a]HH)(H)	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(C[6]C[6,6a]HH)(H){1|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]2H)(H)2{3|H<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.9680	0.000	1	107.9680	0.000	1	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[6,6]C[6]2H)2(H)2{1|C<4>,2|C<3>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.6100	0.000	1	107.9600	0.317	3	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)2(H)2{3|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6350	0.023	2	107.9600	0.317	3	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]N[6]O)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[6]N[6]O)(C[6,6]C[6]2H)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4360	0.000	1	108.4360	0.000	1	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)2(H)2{2|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3535	0.015	2	107.3535	0.000	2	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]O[6]CH)(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]O[6]CH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[6,6]C[6]2H)2(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5470	0.000	1	108.5470	0.000	1	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]S[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|S<2>,3|H<1>}	C[6,6](C[6,6]C[6]S[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4210	0.000	1	107.4210	0.000	1	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)2(H)2{1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0620	0.000	1	107.0620	0.000	1	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)2(H)2{2|C<4>,2|O<2>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7445	0.145	2	107.7445	0.021	2	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]CC)(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]CC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)2(H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.8770	0.000	1	107.6035	0.150	2	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]CC)(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]CC)(H){2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)2(H)2{1|N<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.3300	0.000	1	107.6035	0.150	2	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)2(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5527	0.218	3	107.5527	0.048	3	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[6,6]C[6]2H)2(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0920	0.000	1	108.0920	0.000	1	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[6,6]C[6]2H)2(H)2{1|C<4>,2|C<3>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.7860	0.000	1	108.2751	1.437	53	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)2(H)2{1|C<3>,1|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	111.7740	1.334	2	108.2751	1.437	53	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4668	0.195	8	108.2751	1.437	53	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1928	0.717	4	108.2751	1.437	53	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0222	0.184	9	108.2751	1.437	53	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)2(H)2{3|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4770	0.334	2	108.2751	1.437	53	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|N<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5940	1.427	2	108.2751	1.437	53	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2715	0.125	2	108.2751	1.437	53	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)2(H)2{1|C<3>,1|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	111.4090	3.493	2	108.2751	1.437	53	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8269	0.165	13	108.2751	1.437	53	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2860	0.149	8	108.2751	1.437	53	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(H)2{2|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.8460	0.000	1	108.8460	0.000	1	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]N[6]O)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6]N[6]O)(C[6,6]C[6]2H)(H)2{1|C<3>,1|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.7270	0.021	2	108.7270	0.000	2	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.7500	0.000	1	109.1755	0.362	2	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.6010	0.000	1	109.1755	0.362	2	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]P[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<4>,1|P<4>,5|H<1>}	C[6,6](C[6,6]C[6]P[6]H)(C[6,6]C[6]2H)(H)2{1|Se<1>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3310	0.000	1	107.3310	0.000	1	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RhH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RhH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2H)2(H)2{1|Rh<6>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	110.2160	0.000	1	110.5718	7.961	9	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RhH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RhH)(C[6]C[6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]2H)2(H)2{1|Rh<6>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	111.0898	3.410	6	110.5718	7.961	9	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RhH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RhH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)2(H)2{1|Rh<6>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.1955	0.145	2	110.5718	7.961	9	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuC)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)2(H)2{1|Ru<10>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	110.0170	0.140	2	109.6885	0.152	8	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuC)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)2(H)2{1|Ru<8>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.5180	0.317	4	109.6885	0.152	8	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuC)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)2(H)2{1|Ru<8>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.7010	0.642	2	109.6885	0.152	8	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)2(H)2{1|Ru<10>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	110.3025	0.275	2	109.9743	0.256	12	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)2(H)2{1|Ru<10>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	110.1420	0.000	1	109.9743	0.256	12	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)2(H)2{1|Ru<8>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.6623	0.844	3	109.9743	0.256	12	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)2(H)2{1|Ru<8>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	110.1292	0.426	4	109.9743	0.256	12	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)2(H)2{1|Ru<9>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.7205	0.081	2	109.9743	0.256	12	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)2(H)2{1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1150	2.884	2	108.0273	2.632	6	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)2(H)2{1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9835	1.268	4	108.0273	2.632	6	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6]H)(C[6]C[6a]S[6]H)(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6]H)(C[6]C[6a]S[6]H)(H){1|H<1>,2|C<4>,5|C<3>}	C[6,6](C[6,6]C[6]2H)2(H)2{1|N<3>,1|S<2>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8340	0.316	4	106.8340	0.100	4	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[5,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,5,6]C[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[5,6]HH)(C[6]C[6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[5,5,6]C[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4850	0.000	1	108.4850	0.000	1	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|N<3>,1|N<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0265	0.062	2	108.8880	8.962	4	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(C[6]N[6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,2|N<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	113.3010	0.000	1	108.8880	8.962	4	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(C[6]N[6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(H)2{1|C<4>,2|N<3>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1980	0.000	1	108.8880	8.962	4	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6a]CH)(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6a]CH)(C[6]N[6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2960	0.000	1	108.2960	0.000	1	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6a]HH)(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6a]HH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|N<3>,1|N<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8454	1.080	17	107.8454	1.165	17	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]N[6]HH)(H){1|C<3>,1|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)2(H)2{1|C<4>,2|N<3>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3620	0.000	1	106.9520	0.304	3	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]N[6]HH)(H){1|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2H)2(H)2{1|C<4>,1|N<3>,1|N<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.7470	0.597	2	106.9520	0.304	3	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)(C[6]S[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)(C[6]S[6]HH)(H){1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)2(H)2{1|N<3>,1|S<3>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1545	1.542	2	107.1545	2.378	2	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H){1|C<3>,1|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)2(H)2{1|C<4>,2|N<3>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.0460	0.000	1	108.0782	0.380	21	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H){1|C<3>,1|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)2(H)2{2|N<3>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1900	0.064	2	108.0782	0.380	21	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H){1|Cu<4>,1|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)2(H)2{2|N<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7965	0.013	2	108.0782	0.380	21	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H){1|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)2(H)2{2|N<3>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0505	0.021	2	108.0782	0.380	21	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H){1|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2H)2(H)2{1|C<4>,1|N<3>,1|N<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4255	0.276	2	108.0782	0.380	21	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H){1|Pt<4>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)2(H)2{2|N<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2838	0.159	10	108.0782	0.380	21	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H){2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)2(H)2{1|N<3>,1|N<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4165	0.213	2	108.0782	0.380	21	108.3647	2.020	180	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(CC[6a]HO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	H(C[6,6]C[6,6]N[3x6]C)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|B<4>,1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[3x6]C)	106.7765	0.388	2	106.6693	0.066	4	108.0915	5.336	55	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(CC[6a]HO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	H(C[6,6]C[6,6]N[3x6]C)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|B<4>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[3x6]C)	106.5620	0.037	2	106.6693	0.066	4	108.0915	5.336	55	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6]HO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	H(C[6,6]C[6,6]N[3x6]C)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[3x6]C)	108.2375	2.001	4	108.2375	4.005	4	108.0915	5.336	55	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6a]HO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	H(C[6,6]C[6,6]N[3x6]C)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[3x6]C)	106.9470	0.559	6	106.9470	0.313	6	108.0915	5.336	55	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6]HO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	H(C[6,6]C[6,6]N[3x6]C)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]C)	107.9061	2.153	11	107.9061	4.636	11	108.0915	5.336	55	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]2H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	H(C[6,6]C[6,6]N[3x6]C)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]2H)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]C)	108.4850	0.000	1	108.4850	0.000	1	108.0915	5.336	55	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	H(C[6,6]C[6,6]N[3x6]C)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]C)	108.5610	2.706	29	108.5610	7.323	29	108.0915	5.336	55	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(CH3)(H)	C[6,6](C[6,6]N[3x6]CH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]N[3x6]C)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(CH3)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]CH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]C)	107.1650	0.000	1	107.1650	0.000	1	108.0580	0.601	3	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HH)(H)	C[6,6](C[6,6]N[3x6]CH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]N[3x6]C)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HH)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]CH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]C)	108.5045	0.080	2	108.5045	0.006	2	108.0580	0.601	3	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:P[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(P[6]C[6]SeC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]P[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]P[6])	C[6,6](C[6,6]C[6,6]HH)(P[6]C[6]SeC)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]P[6]H)(C[6,6]C[6]2H)(H)2{1|Se<1>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]P[6])	108.7150	0.000	1	108.7150	0.000	1	108.7150	0.000	1	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:Si[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(Si[6]O[6]CC)(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[6a]Si[6]C[6])(C[6,6]Si[6]C[6]H)(H)2	H(C[6,6]C[6,6]Si[6]C[6])	C[6,6](C[6,6]C[6,6]HH)(Si[6]O[6]CC)(C[6]N[6]HH)(H){1|Si<4>,1|C<3>,1|C<4>,1|S<4>}	C[6,6](C[6,6]C[6a]Si[6]C[6])(C[6,6]Si[6]C[6]H)(H)2{1|N<3>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]Si[6]C[6])	107.5010	0.000	1	107.5010	0.000	1	107.2133	0.074	3	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:Si[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(Si[6]O[6]CC)(C[6]N[6]HH)(H)	C[6,6](C[6,6]Si[6]C[6]H)2(H)2	H(C[6,6]C[6,6]Si[6]C[6])	C[6,6](C[6,6]C[6,6]HH)(Si[6]O[6]CC)(C[6]N[6]HH)(H){1|Si<4>,1|C<4>,1|H<1>,1|S<4>}	C[6,6](C[6,6]Si[6]C[6]H)2(H)2{1|N<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]Si[6]C[6])	107.0695	0.152	2	107.0695	0.023	2	107.2133	0.074	3	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,5,6]ClH)(C[6,6]C[6,6]HH)(C[6]C[6]Cl2)(H)	C[6,6](C[6,6]C[5,5,6]N[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5,5,6]ClH)(C[6,6]C[6,6]HH)(C[6]C[6]Cl2)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6,6](C[6,6]C[5,5,6]N[6]H)(C[6,6]C[6]2H)(H)2{3|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7410	0.000	1	107.7410	0.000	1	107.7410	0.000	1	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	N[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Al)(C[6,6]C[3x6]HH)(CC[6a]HO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	H(C[6,6]C[6,6]N[3x6]C)	C[6,6](N[3x6]C[6,6]2Al)(C[6,6]C[3x6]HH)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|Al<5>,1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[3x6]C)	106.5515	0.186	2	106.5515	0.035	2	106.5515	0.035	2	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	N[5,5]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[4,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)	C[6,6](C[6,6]C[6,6]N[5,5]H)(C[4,6,6]C[4,6]2H)(H)2	H(C[6,6]C[6,6]2N[5,5])	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H){2|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]N[5,5]H)(C[4,6,6]C[4,6]2H)(H)2{1|B<4>,3|H<1>,6|C<4>}	H(C[6,6]C[6,6]2N[5,5])	106.3573	0.124	3	106.3160	0.017	4	106.3160	0.017	4	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	N[5,5]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[4,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)	C[6,6](C[6,6]C[6,6]N[5,5]H)(C[4,6,6]C[4,6]2H)(H)2	H(C[6,6]C[6,6]2N[5,5])	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H){2|C<4>,2|O<2>,3|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]N[5,5]H)(C[4,6,6]C[4,6]2H)(H)2{1|B<4>,3|H<1>,6|C<4>}	H(C[6,6]C[6,6]2N[5,5])	106.1920	0.000	1	106.3160	0.017	4	106.3160	0.017	4	108.0370	3.344	471	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:S-4:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(SC[6a]OO)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HS)(OC)(H)	H(C[6,6]C[3x6]C[6,6]S)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(SC[6a]OO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HS)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]S)	107.5660	0.000	1	107.5660	0.000	1	107.5660	0.000	1	107.0560	4.941	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:N-2:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(CH3)(H)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NC)(H)	H(C[6,6]C[4,6,6]C[6,6]C)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(CH3)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NC)(H){2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]C)	106.5970	0.000	1	106.5970	0.000	1	106.5970	0.000	1	107.0560	4.941	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(CH3)(H)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(OC)(H)	H(C[6,6]C[4,6,6]C[6,6]C)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(CH3)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(OC)(H){2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]C)	106.5110	0.000	1	106.5110	0.000	1	106.5110	0.000	1	107.0560	4.941	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(CH3)(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(OH)(H)	H(C[6,6]C[4x6]C[6,6]C)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6,6]C[4x6]C[6,6]C)	107.6237	0.336	3	107.6610	0.081	4	107.6610	0.081	4	107.0560	4.941	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(CH3)(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(OH)(H)	H(C[6,6]C[4x6]C[6,6]C)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(OH)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[6,6]C[4x6]C[6,6]C)	107.7730	0.000	1	107.6610	0.081	4	107.6610	0.081	4	107.0560	4.941	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6,6]C[6]O[6]H)(CH3)(H)	C[6,6](C[6,6]C[5,6,6]CH)(C[6]C[6,6]HO)(O[6]C[6])(H)	H(C[6,6]C[5,6,6]C[6,6]C)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6,6]C[6]O[6]H)(CH3)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]CH)(C[6]C[6,6]HO)(O[6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C)	107.9190	0.000	1	107.9190	0.000	1	107.9190	0.000	1	107.0560	4.941	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]C[5]N[6])(C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(O[6]C[6])(H)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,5,6]C[5]N[6])(C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(O[6]C[6])(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	106.3790	0.000	1	106.3790	0.000	1	105.0545	3.509	2	107.0560	4.941	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(O[6]C[6])(H)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(O[6]C[6])(H){2|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	103.7300	0.000	1	103.7300	0.000	1	105.0545	3.509	2	107.0560	4.941	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:S[6]-2:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6]S[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(S[6]C[6])(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6]S[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(S[6]C[6])(H){2|C<4>,2|O<2>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.6330	0.000	1	106.6330	0.000	1	106.6330	0.000	1	107.0560	4.941	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)2(CH3)(H)	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]CH)(O[6]C[6])(H)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[6]O[6]H)2(CH3)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]CH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]2C)	108.6120	0.006	2	108.6120	0.000	2	108.6120	0.000	2	107.0560	4.941	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2O)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(O[6]C[6])(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2O)(C[6]C[6]CH)(H){1|O<2>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(O[6]C[6])(H){2|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	103.5973	0.392	3	103.5973	0.154	3	103.5973	0.154	3	107.0560	4.941	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,2|C<4>,2|S<2>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.8890	0.000	1	106.8890	0.000	1	106.8890	0.000	1	107.0560	4.941	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:N[6]-4:H-1:	C[6,6]-4:C[4,6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[6]C[6]2H)(H)	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(OH)(H)	H(C[6,6]C[6,6]2N[6])	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[6]C[6]2H)(H){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(OH)(H){5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2N[6])	106.0920	0.000	1	106.0920	0.000	1	106.0920	0.000	1	107.0560	4.941	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:S-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]H)(SCOO)(H)	C[6,6](C[6,6]C[6,6]HS)(C[6]C[6,6a]HH)(O[6]C[6,6a])(H)	H(C[6,6]C[6,6]2S)	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]H)(SCOO)(H){2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]HS)(C[6]C[6,6a]HH)(O[6]C[6,6a])(H){1|H<1>,4|C<3>}	H(C[6,6]C[6,6]2S)	107.6050	0.000	1	107.6050	0.000	1	106.0884	0.887	5	107.0560	4.941	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:S-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]H)(SC[6a]OO)(H)	C[6,6](C[6,6]C[6,6]HS)(C[6]C[6,6a]HH)(O[6]C[6,6a])(H)	H(C[6,6]C[6,6]2S)	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]H)(SC[6a]OO)(H){2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]HS)(C[6]C[6,6a]HH)(O[6]C[6,6a])(H){1|H<1>,4|C<3>}	H(C[6,6]C[6,6]2S)	105.7092	0.473	4	105.7092	0.224	4	106.0884	0.887	5	107.0560	4.941	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]HH)2(H)	C[6,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6]2H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]HH)2(H){2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6]2H)(O[6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.9350	0.468	2	108.9350	0.219	2	108.9350	0.219	2	107.0560	4.941	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CH)(C[6]N[6]HH)(C[6]S[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(CN)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]CH)(C[6]N[6]HH)(C[6]S[6]HH)(H){1|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)2(CN)(H){1|N<3>,1|S<2>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3050	0.202	2	107.3050	0.041	2	107.3050	0.041	2	107.0560	4.941	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(OH)(H){3|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3710	0.000	1	107.3710	0.000	1	108.1692	0.463	6	107.0560	4.941	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(OSi)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(OSi)(H){1|C<2>,2|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2940	0.000	1	107.2940	0.000	1	108.1692	0.463	6	107.0560	4.941	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)2(OH)(H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.7415	0.011	2	108.7415	0.000	2	108.1692	0.463	6	107.0560	4.941	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HO)(C[6]N[6]HH)(C[6]S[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HO)(C[6]N[6]HH)(C[6]S[6]HH)(H){1|H<1>,2|O<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)2(OH)(H){1|N<3>,1|S<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4335	0.342	2	108.4335	0.117	2	108.1692	0.463	6	107.0560	4.941	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(H){2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(O[6]C[6])(H){2|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.2110	0.000	1	108.2110	0.000	1	107.9970	0.112	4	107.0560	4.941	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(H){2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(O[6]C[6])(H){2|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.9257	0.371	3	107.9257	0.137	3	107.9970	0.112	4	107.0560	4.941	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:S-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HS)(C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(SC[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HS)(C[6]N[5a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2H)2(SC[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1000	0.000	1	107.1000	0.000	1	107.1000	0.000	1	107.0560	4.941	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[3]C[6]H)(C[6]O[6]CH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[3]C[6]H)(C[6]O[6]CH)(H){4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.1060	0.000	1	107.1060	0.000	1	107.3296	1.344	12	107.0560	4.941	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5]C[6]H)(C[6]O[6]CH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5]C[6]H)(C[6]O[6]CH)(H){4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.5150	0.000	1	107.5150	0.000	1	107.3296	1.344	12	107.0560	4.941	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7940	0.000	1	107.7940	0.000	1	107.3296	1.344	12	107.0560	4.941	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(C[6]O[6]CH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(C[6]O[6]CH)(H){3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1470	0.177	2	108.1470	0.031	2	107.3296	1.344	12	107.0560	4.941	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CN)(C[6]C[6]HH)(H){2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0990	0.000	1	107.0990	0.000	1	107.3296	1.344	12	107.0560	4.941	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4670	0.000	1	107.4670	0.000	1	107.3296	1.344	12	107.0560	4.941	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]N[6]CC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]N[6]CC)(H){1|S<4>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1670	0.000	1	107.1670	0.000	1	107.3296	1.344	12	107.0560	4.941	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]N[6]CH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]N[6]CH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	103.9260	0.000	1	103.9260	0.000	1	107.3296	1.344	12	107.0560	4.941	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]S[6]CC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]S[6]CC)(H){1|Co<5>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|P<4>,1|S<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2370	0.000	1	107.2370	0.000	1	107.3296	1.344	12	107.0560	4.941	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]N[6]CH)(C[6]O[6]CH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]N[6]CH)(C[6]O[6]CH)(H){1|S<4>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1750	0.020	2	108.1750	0.000	2	107.3296	1.344	12	107.0560	4.941	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:S[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(S[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(S[6]C[6])(H){1|O<2>,2|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9880	0.000	1	107.9880	0.000	1	107.9880	0.000	1	107.0560	4.941	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)	C[6,6](C[6]C[6,6a]CC)(C[6,6]C[6]2H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H){3|C<4>,4|C<3>}	C[6,6](C[6]C[6,6a]CC)(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.2155	0.012	2	109.2155	0.000	2	109.2367	0.001	3	107.0560	4.941	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.2790	0.000	1	109.2790	0.000	1	109.2367	0.001	3	107.0560	4.941	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6,6]-4:S[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(S[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(S[6]C[6])(H){3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	94.2895	0.000	1	94.2895	0.000	1	94.2895	0.000	1	107.0560	4.941	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:S[6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(S[6]C[6]OO)(H)	C[6,6](C[6,6]C[6]S[6]H)(C[6]O[6]HO)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]S[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(S[6]C[6]OO)(H){2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]S[6]H)(C[6]O[6]HO)(O[6]C[6])(H){1|O<2>,2|C<4>,2|O<1>,3|H<1>}	H(C[6,6]C[6,6]C[6]S[6])	107.6645	0.077	2	107.6645	0.006	2	107.6645	0.006	2	107.0560	4.941	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]N[6,6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]N[6,6])(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9740	0.000	1	107.9740	0.000	1	107.9740	0.000	1	107.0560	4.941	58	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:2:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(OC)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H){1|C<2>,1|C<3>,1|N<2>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(OC){1|C<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	103.4710	0.000	1	103.4710	0.000	1	103.4710	0.000	1	106.9256	3.552	7	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:2:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(OH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(OH){4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.7970	0.000	1	106.7970	0.000	1	106.4135	0.294	2	106.9256	3.552	7	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:2:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(OH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(OH){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.0300	0.000	1	106.0300	0.000	1	106.4135	0.294	2	106.9256	3.552	7	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:2:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:S[6]-2:S[6]-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(S[6]C[6])2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(S[6]C[6])2{2|O<2>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	106.9320	0.000	1	106.9320	0.000	1	106.9320	0.000	1	106.9256	3.552	7	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(OC)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6]2H)2(OC)2{4|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8590	0.164	2	107.8590	0.027	2	108.4163	0.945	3	106.9256	3.552	7	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]N[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)2(OC)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]OO)(C[6]N[6]HH)2(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]2H)2(OC)2{2|N<3>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.5310	0.000	1	109.5310	0.000	1	108.4163	0.945	3	106.9256	3.552	7	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:3:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:N-3:	C[6,6]-4:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]N)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(NCC)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]N)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(NCC){1|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1680	0.000	1	108.1680	0.000	1	108.1680	0.000	1	108.1680	0.000	1	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]O[6]C)(C[6,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)	C[6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6,6]O[6]C)(C[6,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3){1|C<3>,1|N<3>,1|O<1>,4|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	106.5610	0.000	1	106.5610	0.000	1	106.5610	0.000	1	105.6493	2.111	28	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6,6])(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(H){5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6,6])(CH3){4|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.8840	0.000	1	104.8840	0.000	1	104.9760	1.411	13	105.6493	2.111	28	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6,6])(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6,6])(CH3){4|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.7170	0.115	2	104.7170	0.013	2	104.9760	1.411	13	105.6493	2.111	28	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3){1|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	103.8730	0.000	1	104.1234	0.178	5	104.9760	1.411	13	105.6493	2.111	28	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3){1|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	104.2750	0.049	2	104.1234	0.178	5	104.9760	1.411	13	105.6493	2.111	28	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3){4|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.0970	0.775	2	104.1234	0.178	5	104.9760	1.411	13	105.6493	2.111	28	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HO)(H){1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	103.5420	0.000	1	103.5420	0.000	1	104.9760	1.411	13	105.6493	2.111	28	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[5,6])(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[5,6])(CH3){1|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.0950	0.000	1	106.0950	0.000	1	104.9760	1.411	13	105.6493	2.111	28	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3){1|O<1>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.4260	0.000	1	106.7053	0.075	3	104.9760	1.411	13	105.6493	2.111	28	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	106.8450	0.181	2	106.7053	0.075	3	104.9760	1.411	13	105.6493	2.111	28	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[5,6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(O[6]C[6])(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[5,6]CC)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(O[6]C[6])(CH3){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.3790	0.000	1	104.3790	0.000	1	106.2094	2.227	14	105.6493	2.111	28	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(CH3){5|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9145	0.153	2	104.9145	0.024	2	106.2094	2.227	14	105.6493	2.111	28	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(CH3){1|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0960	0.000	1	107.6927	0.064	6	106.2094	2.227	14	105.6493	2.111	28	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(CH3){2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6120	0.175	5	107.6927	0.064	6	106.2094	2.227	14	105.6493	2.111	28	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]O[6]CH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]O[6]CH)(H){3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(CH3){2|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2390	0.000	1	107.2390	0.000	1	106.2094	2.227	14	105.6493	2.111	28	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:2:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|S<4>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(CH3){1|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.8323	0.137	4	104.8323	0.019	4	106.2094	2.227	14	105.6493	2.111	28	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]O)(H)	H(C[6,6]C[3,6]C[6,6]C[6])	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[3,6]C[6,6]C[6])	106.9630	0.000	1	106.9630	0.000	1	106.9630	0.000	1	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[5,6,6]H)(C[5]C[5,6a]N[5]C)(C[6,6]C[3x6]CH)(H)	C[6,6](C[3x6]C[3,6,6]N[5,6,6]H)(C[6,6]C[3x6]C[5]H)(CHO)(H)	H(C[6,6]C[3x6]C[6,6]C[5])	C[6,6](C[3x6]C[3,6,6]C[5,6,6]H)(C[5]C[5,6a]N[5]C)(C[6,6]C[3x6]CH)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[3,6,6]N[5,6,6]H)(C[6,6]C[3x6]C[5]H)(CHO)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]C[5])	103.7560	0.000	1	103.7560	0.000	1	104.3860	0.302	3	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5]C[5,6a]N[5]C)(C[6,6]C[3x6]CH)(H)	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]C[5]H)(CHO)(H)	H(C[6,6]C[3x6]C[6,6]C[5])	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5]C[5,6a]N[5]C)(C[6,6]C[3x6]CH)(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]C[5]H)(CHO)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]C[5])	104.7010	0.096	2	104.7010	0.009	2	104.3860	0.302	3	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(CRuCH)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(CCH)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(CRuCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(CCH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.2730	0.000	1	108.2730	0.000	1	109.1065	1.389	2	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(CRuCH)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(CRuH)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(CRuCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(CRuH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	109.9400	0.000	1	109.9400	0.000	1	109.1065	1.389	2	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]C[6a]H)(CH3)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]C[6a]H)(CH3)(H){1|C<4>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]C)	108.3270	0.000	1	108.3270	0.000	1	108.3270	0.000	1	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]2H)(CHHO)(H)	C[6,6](C[6,6]C[3x6]CH)(C[6]C[6]HH)(C[6]O[6]O)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]2H)(CHHO)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[3x6]CH)(C[6]C[6]HH)(C[6]O[6]O)(H){2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]C)	107.1460	0.000	1	107.1460	0.000	1	107.1460	0.000	1	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:N-4:H-1:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NH3)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHH)(H)	H(C[6,6]C[3x6]C[6,6]N)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NH3)(H){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHH)(H){1|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]N)	108.4380	0.117	4	108.4380	0.014	4	108.4380	0.014	4	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:B-3:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]BH)(CH3)(H)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(BC[6,6]O)(H)	H(C[6,6]C[4,6,6]C[6,6]C)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]BH)(CH3)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(BC[6,6]O)(H){2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]C)	106.7795	0.187	2	106.7795	0.035	2	106.7795	0.035	2	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(CH3)(H)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NNiC)(H)	H(C[6,6]C[4,6,6]C[6,6]C)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(CH3)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NNiC)(H){2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]C)	106.8549	0.263	16	106.8549	0.069	16	106.8549	0.069	16	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[3x6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]C[6a]H)(CH3)(H)	C[6,6](C[6,6]C[5,3x6]CH)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	H(C[6,6]C[5,3x6]C[6,6]C)	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]C[6a]H)(CH3)(H){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[5,3x6]CH)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	H(C[6,6]C[5,3x6]C[6,6]C)	107.5905	0.128	4	107.5905	0.016	4	107.5905	0.016	4	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]2C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,3x6]C[6]H)(C[6]C[5,6]CO)(C[6]O[6]O)(H)	H(C[6,6]C[5,3x6]C[6,6]C[6])	C[6,6](C[5,3x6]C[5,6,6]2C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|O<2>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,3x6]C[6]H)(C[6]C[5,6]CO)(C[6]O[6]O)(H){3|H<1>,5|C<4>}	H(C[6,6]C[5,3x6]C[6,6]C[6])	105.4770	0.000	1	105.4770	0.000	1	105.4770	0.000	1	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6,6]C[5,5,6,6]C[6,6]C[6])	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[5,5,6,6]C[6,6]C[6])	105.7080	0.000	1	105.7080	0.000	1	105.7080	0.000	1	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6]C[6]C)(H)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){3|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6]C[6]C)(H){1|N<3>,1|N<4>,1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	106.3760	0.000	1	105.7380	0.357	62	105.7280	0.358	63	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6]C[6]C)(H)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){3|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6]C[6]C)(H){1|N<3>,1|N<4>,1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	105.7577	0.475	52	105.7380	0.357	62	105.7280	0.358	63	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6]C[6]C)(H)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){3|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6]C[6]C)(H){1|O<2>,2|C<4>,2|N<3>,5|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	105.5534	1.094	9	105.7380	0.357	62	105.7280	0.358	63	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6]C)(H)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H){1|N<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,5|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	105.1070	0.000	1	105.1070	0.000	1	105.7280	0.358	63	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	106.6135	0.103	2	106.6135	0.011	2	106.6135	0.011	2	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H){2|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.6615	0.245	2	108.6615	0.060	2	108.6615	0.060	2	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.5170	0.000	1	106.6067	0.006	3	107.3766	0.755	7	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.6515	0.015	2	106.6067	0.006	3	107.3766	0.755	7	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.5370	0.000	1	107.3750	0.052	2	107.3766	0.755	7	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H){5|H<1>,7|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.2130	0.000	1	107.3750	0.052	2	107.3766	0.755	7	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[5,6]C[6]H)(C[6]C[5,6]O)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[5,6]C[6]H)(C[6]C[5,6]O)(H){1|C<2>,1|N<3>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.5330	0.099	2	108.5330	0.010	2	107.3766	0.755	7	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:F-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(F)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(F){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.3905	0.374	2	108.3905	0.140	2	108.3905	0.140	2	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[3,5]C[5,6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[3,5]C[5,6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H){1|C<2>,1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.5490	0.000	1	107.5490	0.000	1	109.1291	0.919	13	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3,6,6]C[3,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[3,6,6]C[3,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H){2|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.8260	0.000	1	108.8260	0.000	1	109.1291	0.919	13	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H){2|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.0610	0.000	1	109.0610	0.000	1	109.1291	0.919	13	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.8410	0.000	1	109.3242	0.895	10	109.1291	0.919	13	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.2005	0.364	6	109.3242	0.895	10	109.1291	0.919	13	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H){2|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	111.7960	0.000	1	109.3242	0.895	10	109.1291	0.919	13	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.7010	0.426	2	109.3242	0.895	10	109.1291	0.919	13	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,3|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.8775	0.442	2	106.9110	0.082	9	107.3334	0.599	13	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.8554	0.310	5	106.9110	0.082	9	107.3334	0.599	13	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.0835	0.035	2	106.9110	0.082	9	107.3334	0.599	13	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){5|C<4>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.3040	0.000	1	108.3040	0.000	1	107.3334	0.599	13	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){3|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.2120	0.000	1	109.2120	0.000	1	107.3334	0.599	13	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5]O[5]O[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5]O[5]O[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,2|O<2>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.8095	0.008	2	107.8095	0.000	2	107.3334	0.599	13	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.8540	0.079	2	107.8540	0.006	2	107.8540	0.006	2	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(CCHH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]N[6]C)(H)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[6,6]C[6]H)2(CCHH)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]N[6]C)(H){1|Al<5>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]2C)	107.9895	0.022	2	107.3933	1.066	3	107.8934	1.002	5	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(CCHH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]N[6]C)(H)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[6,6]C[6]H)2(CCHH)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]N[6]C)(H){1|Pd<4>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]2C)	106.2010	0.000	1	107.3933	1.066	3	107.8934	1.002	5	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(CC[6a]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]N[6]C)(H)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[6,6]C[6]H)2(CC[6a]HH)(H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]N[6]C)(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]2C)	108.6435	0.013	2	108.6435	0.000	2	107.8934	1.002	5	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]H)(CH3)(H)	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]H)(CH3)(H){2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]2C)	107.3620	0.000	1	107.3620	0.000	1	107.3620	0.000	1	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.3100	0.000	2	106.3500	0.005	3	106.1103	0.383	33	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,4|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.4300	0.000	1	106.3500	0.005	3	106.1103	0.383	33	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,4|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.0085	0.262	2	106.0085	0.069	2	106.1103	0.383	33	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,4|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	105.1840	0.000	1	105.1840	0.000	1	106.1103	0.383	33	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.7750	0.000	1	105.8570	0.110	6	106.1103	0.383	33	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){3|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	105.4970	0.000	1	105.8570	0.110	6	106.1103	0.383	33	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,4|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.4060	0.000	1	105.8570	0.110	6	106.1103	0.383	33	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.9545	0.006	2	105.8570	0.110	6	106.1103	0.383	33	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){3|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	105.5550	0.000	1	105.8570	0.110	6	106.1103	0.383	33	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.1790	0.330	2	106.0673	0.635	11	106.1103	0.383	33	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.4765	0.571	2	106.0673	0.635	11	106.1103	0.383	33	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|F<1>,5|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.2997	0.292	3	106.0673	0.635	11	106.1103	0.383	33	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.2417	0.072	3	106.0673	0.635	11	106.1103	0.383	33	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|O<1>,4|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	103.8050	0.000	1	106.0673	0.635	11	106.1103	0.383	33	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){3|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.7210	0.000	1	106.6158	0.060	4	106.1103	0.383	33	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,2|O<2>,4|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){2|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.4145	0.008	2	106.6158	0.060	4	106.1103	0.383	33	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|O<1>,3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){2|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.9130	0.000	1	106.6158	0.060	4	106.1103	0.383	33	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.0510	0.000	1	105.0510	0.000	1	106.1103	0.383	33	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|O<1>,2|O<2>,4|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	105.7010	0.000	1	105.7010	0.000	1	106.1103	0.383	33	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]FH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]FH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|F<1>,2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.2310	0.000	1	106.2310	0.000	1	106.1103	0.383	33	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.0400	0.000	1	106.6420	0.317	2	106.1103	0.383	33	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.2440	0.000	1	106.6420	0.317	2	106.1103	0.383	33	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.7770	0.000	1	106.7770	0.000	1	106.1103	0.383	33	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[4x6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4x6]C[6]H)(C[6,6]O[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[4x6]C[3x6]2Cl)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[4x6]C[6]H)(C[6,6]O[6]2H)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[4x6]C[3x6]2Cl)(C[6]C[6]H)(H){2|C<3>,2|C<4>,3|O<2>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.0940	0.000	1	106.0940	0.000	1	106.0940	0.000	1	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]N)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]N)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|N<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.8635	0.069	2	104.9980	0.057	3	106.6512	1.817	13	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]N)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]N)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	105.2670	0.000	1	104.9980	0.057	3	106.6512	1.817	13	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){2|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.5430	0.000	1	106.4502	0.157	4	106.6512	1.817	13	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.4193	0.479	3	106.4502	0.157	4	106.6512	1.817	13	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|O<1>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	108.9670	0.000	1	108.9670	0.000	1	106.6512	1.817	13	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	105.4990	0.000	1	105.4990	0.000	1	106.6512	1.817	13	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|O<2>,2|O<1>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H){1|C<3>,4|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	107.5110	0.000	1	107.5110	0.000	1	106.6512	1.817	13	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]O)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]O)(H){1|C<3>,4|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	107.6080	0.000	1	107.5415	0.009	2	106.6512	1.817	13	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]O)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|O<2>,2|O<1>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]O)(H){1|C<3>,4|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	107.4750	0.000	1	107.5415	0.009	2	106.6512	1.817	13	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){2|C<3>,2|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	108.6110	0.000	1	108.6110	0.000	1	106.6512	1.817	13	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6,6]C[6]2)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6,6]C[6]2)(H){2|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.2590	0.000	1	106.2590	0.000	1	106.2590	0.000	1	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:Br-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2Br)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(Br)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2Br)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(Br){1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.4760	0.209	2	107.4760	0.044	2	107.4760	0.044	2	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	106.6040	0.000	1	106.6273	0.000	4	107.0780	2.316	8	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H){4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.6450	0.000	2	106.6273	0.000	4	107.0780	2.316	8	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]2C[6])	106.6150	0.000	1	106.6273	0.000	4	107.0780	2.316	8	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	109.1930	0.000	1	109.1930	0.000	1	107.0780	2.316	8	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	104.4700	0.000	1	104.4700	0.000	1	107.0780	2.316	8	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|O<1>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	109.0890	0.000	1	109.0890	0.000	1	107.0780	2.316	8	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	107.3630	0.000	1	107.3630	0.000	1	107.0780	2.316	8	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	107.8010	0.815	2	107.6877	0.370	3	107.6877	0.370	3	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	107.4610	0.000	1	107.6877	0.370	3	107.6877	0.370	3	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6,6]CH)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6,6]C[6]2H)(COO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,5,6,6]CH)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6,6]C[6]2H)(COO)(H){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.6420	0.000	1	108.6420	0.000	1	108.6420	0.000	1	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]CH)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[5,6,6]C[5,6]O[5]O[6])(C[6,6]C[6]2H)(CCH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]CH)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]O[5]O[6])(C[6,6]C[6]2H)(CCH)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.6690	0.000	1	108.6690	0.000	1	108.6690	0.000	1	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0780	0.000	1	108.0780	0.000	1	108.0780	0.000	1	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(CCO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(CCO)(H){2|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3230	0.151	2	108.3230	0.023	2	108.3230	0.023	2	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){3|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5470	0.055	2	108.5470	0.003	2	107.8050	0.277	15	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|O<1>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2870	0.462	3	107.2870	0.214	3	107.8050	0.277	15	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8827	0.323	3	107.8827	0.105	3	107.8050	0.277	15	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|N<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3100	0.045	2	107.4403	0.066	4	107.8050	0.277	15	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5705	0.360	2	107.4403	0.066	4	107.8050	0.277	15	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|O<1>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2370	0.105	3	108.2370	0.011	3	107.8050	0.277	15	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HN)(C[6]N[6]HH)(C[6]S[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(NCH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HN)(C[6]N[6]HH)(C[6]S[6]HH)(H){1|H<1>,2|O<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)2(NCH)(H){1|N<3>,1|S<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3915	0.163	2	107.3915	0.027	2	107.3915	0.027	2	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.5685	0.037	2	106.5685	0.001	2	107.9555	2.089	59	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1000	0.000	1	107.1000	0.000	1	107.9555	2.089	59	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5380	0.000	1	107.5727	0.493	4	107.9555	2.089	59	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0990	0.253	2	107.5727	0.493	4	107.9555	2.089	59	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5550	0.000	1	107.5727	0.493	4	107.9555	2.089	59	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)(H){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4660	0.000	1	106.4660	0.000	1	107.9555	2.089	59	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]O[6]HH)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]O[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.4680	0.000	1	107.4680	0.000	1	107.9555	2.089	59	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0080	0.000	1	107.8163	0.072	3	107.9555	2.089	59	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7205	0.299	2	107.8163	0.072	3	107.9555	2.089	59	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H){1|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2950	0.000	1	107.8010	0.512	2	107.9555	2.089	59	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H){3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3070	0.000	1	107.8010	0.512	2	107.9555	2.089	59	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]H)(H){1|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6540	0.000	1	107.6540	0.000	1	107.9555	2.089	59	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.7280	3.468	6	108.3815	4.689	16	107.9555	2.089	59	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7770	0.000	2	108.3815	4.689	16	107.9555	2.089	59	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.9390	0.532	3	108.3815	4.689	16	107.9555	2.089	59	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.7177	0.298	3	108.3815	4.689	16	107.9555	2.089	59	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6060	0.658	2	108.3815	4.689	16	107.9555	2.089	59	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0670	0.523	2	108.0670	0.274	2	107.9555	2.089	59	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]H)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4262	0.168	5	108.4262	0.028	5	107.9555	2.089	59	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){1|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.5040	0.000	1	106.5040	0.000	1	107.9555	2.089	59	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]N)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|N<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]N)(H){1|O<2>,2|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.7850	0.000	1	109.7850	0.000	1	107.9555	2.089	59	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6290	0.000	1	107.6820	0.006	2	107.9555	2.089	59	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<2>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7350	0.000	1	107.6820	0.006	2	107.9555	2.089	59	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]O[6]CH)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]O[6]CH)(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.7910	0.000	1	109.7910	0.000	1	107.9555	2.089	59	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HS)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HS)(H){1|C<4>,1|N<3>,2|O<1>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]O)(H){1|C<3>,1|S<4>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3010	0.000	1	108.3010	0.000	1	107.9555	2.089	59	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]CH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]CH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8320	0.000	1	107.8320	0.000	1	107.9555	2.089	59	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.0430	0.000	1	109.0430	0.000	1	107.9555	2.089	59	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6170	0.000	1	107.7263	0.012	3	107.9555	2.089	59	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8350	0.000	1	107.7263	0.012	3	107.9555	2.089	59	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7270	0.000	1	107.7263	0.012	3	107.9555	2.089	59	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]O)(H){2|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	111.2490	0.000	1	111.2490	0.000	1	107.9555	2.089	59	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]N[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]N[6]O)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4850	0.000	1	106.4850	0.000	1	107.9555	2.089	59	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]C[6]C)(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9750	0.000	1	106.9750	0.000	1	107.9555	2.089	59	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]N[5,6]HH)(C[6]O[6]CH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]N[5,6]HH)(C[6]O[6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1645	0.240	4	107.1645	0.058	4	107.9555	2.089	59	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]CH)(C[6]O[6]HO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]CH)(C[6]O[6]HO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.3485	0.302	2	106.3485	0.091	2	107.9555	2.089	59	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]O[6]CH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]O[6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.9750	0.000	1	109.9750	0.000	1	107.9555	2.089	59	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.7990	0.000	1	106.0005	1.275	2	107.4357	0.536	20	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.2020	0.000	1	106.0005	1.275	2	107.4357	0.536	20	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CS)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CS)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,1|S<2>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4130	0.000	1	107.4130	0.000	1	107.4357	0.536	20	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<2>,2|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5150	0.000	1	107.5150	0.000	1	107.4357	0.536	20	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]CH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]S[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]CH)(H){1|S<4>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]S[6]C)(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7110	1.043	3	107.7110	1.088	3	107.4357	0.536	20	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6495	0.142	2	107.6495	0.020	2	107.4357	0.536	20	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|Cl<1>,1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2430	0.298	3	107.5456	0.219	9	107.4357	0.536	20	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0605	0.853	2	107.5456	0.219	9	107.4357	0.536	20	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H){3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5150	0.118	4	107.5456	0.219	9	107.4357	0.536	20	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]P)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H){1|P<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]P)(H){2|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0630	0.000	1	108.0630	0.000	1	107.4357	0.536	20	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]O)(H){2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3790	0.000	1	107.3790	0.000	1	107.4357	0.536	20	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:S[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(S[6]N[6]OO)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,2|O<1>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(S[6]N[6]OO)(C[6]C[6]H)(H){3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.7390	0.492	2	106.7390	0.242	2	106.7390	0.242	2	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6,6](C[6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|O<2>,4|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.8750	0.000	1	106.8750	0.000	1	107.5555	0.251	4	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<4>,4|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8700	0.000	1	107.7823	0.068	3	107.5555	0.251	4	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<4>,4|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7385	0.353	2	107.7823	0.068	3	107.5555	0.251	4	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C[6,6](C[6]C[6,6a]CC)(C[6,6]C[6]2H)(N[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){4|C<3>,4|C<4>}	C[6,6](C[6]C[6,6a]CC)(C[6,6]C[6]2H)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7700	0.000	1	107.7700	0.000	1	107.7700	0.000	1	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,2|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.9740	0.000	1	107.9740	0.000	1	107.9740	0.000	1	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6,6]H)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,9|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6,6]H)(H){4|H<1>,5|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	109.8560	0.000	1	109.8560	0.000	1	109.8560	0.000	1	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.5015	0.139	4	107.0212	6.080	6	107.0212	6.080	6	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|N<4>,1|O<1>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	110.0605	1.621	2	107.0212	6.080	6	107.0212	6.080	6	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6]C[5a,6]HN)(C[6,6]C[6]2H)(C[6]O[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6,6](C[6]C[5a,6]HN)(C[6,6]C[6]2H)(C[6]O[6]O)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2070	0.000	1	108.2070	0.000	1	108.2070	0.000	1	107.0847	1.898	324	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:2:	4:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:	C[6,6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6,6]O)(OH)	H(C[6,6]C[3,6]C[6,6]C[6])	C[6,6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6,6]O)(OH){1|O<2>,5|H<1>,7|C<4>}	H(C[6,6]C[3,6]C[6,6]C[6])	106.2920	0.750	2	106.2920	0.562	2	106.2920	0.562	2	106.6579	0.680	14	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:2:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O[6]-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O[6])(C[6,6]C[6]2C)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(O[6]N[6])	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6]2O[6])(C[6,6]C[6]2C)(C[6]C[6]HO)(H){1|C<3>,1|N<2>,2|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(O[6]N[6]){1|C<2>,1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	106.0550	0.000	1	106.0550	0.000	1	106.0550	0.000	1	106.6579	0.680	14	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:C-2:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2H)(C[6]N[6]O)(CN)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2H)(C[6]N[6]O)(CN){1|N<3>,1|O<1>,2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.3870	0.000	1	106.3870	0.000	1	106.3870	0.000	1	106.6579	0.680	14	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CN)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CN){3|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2790	0.000	1	107.2790	0.000	1	107.5140	0.110	2	106.6579	0.680	14	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]N[6]N)(CN)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]N[6]N)(CN){1|C<4>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7490	0.000	1	107.7490	0.000	1	107.5140	0.110	2	106.6579	0.680	14	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]C)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]C)(OH){3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.0550	0.000	1	105.0550	0.000	1	106.3357	1.232	3	106.6579	0.680	14	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(H){1|C<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(OH){2|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9760	0.066	2	106.9760	0.004	2	106.3357	1.232	3	106.6579	0.680	14	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-3:C-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(CC)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(CC){4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.2960	0.000	1	105.2960	0.000	1	105.2960	0.000	1	106.6579	0.680	14	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-3:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]O)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]O)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(OH){1|O<1>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1450	0.000	1	107.1450	0.000	1	107.1225	0.001	2	106.6579	0.680	14	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-3:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]O)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(OO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]O)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(OO){1|O<1>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1000	0.000	1	107.1000	0.000	1	107.1225	0.001	2	106.6579	0.680	14	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:2:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:	C[6,6](C[6]C[3]O[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[3]O[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<2>,2|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3040	0.311	2	107.3040	0.097	2	107.3040	0.097	2	106.6579	0.680	14	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:3:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-3:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CCHH)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]CH)(CNO)(COO)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CCHH)(H){1|C<3>,1|N<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]CH)(CNO)(COO){1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.3850	0.000	1	107.3850	0.000	1	107.3850	0.000	1	106.7658	1.551	21	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:3:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H){2|O<1>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.0590	0.000	1	107.0590	0.000	1	107.0590	0.000	1	106.7658	1.551	21	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:3:	4:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2C)(CCHH)(H)	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6,6a]HH)(C[6]O[6]O)(COO)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2C)(CCHH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6,6a]HH)(C[6]O[6]O)(COO){1|C<4>,1|H<1>,2|C<3>}	H(C[6,6]C[6,6]2C)	106.1710	0.000	1	106.1710	0.000	1	106.1710	0.000	1	106.7658	1.551	21	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:3:	4:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:N-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2N)2(CCHH)(H)	C[6,6](C[6,6]C[6,6]CH)(C[6]N[6]HH)(C[6]C[6]H)(NOO)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[6]2N)2(CCHH)(H){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	C[6,6](C[6,6]C[6,6]CH)(C[6]N[6]HH)(C[6]C[6]H)(NOO){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6,6]C[6,6]2C)	108.1400	0.165	2	108.1400	0.027	2	108.1475	0.015	4	106.7658	1.551	21	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:3:	4:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:N-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2N)2(CCHH)(H)	C[6,6](C[6,6]C[6,6]CH)(C[6]N[6]HH)(C[6]C[6]O)(NOO)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[6]2N)2(CCHH)(H){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	C[6,6](C[6,6]C[6,6]CH)(C[6]N[6]HH)(C[6]C[6]O)(NOO){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6,6]C[6,6]2C)	108.1550	0.134	2	108.1550	0.018	2	108.1475	0.015	4	106.7658	1.551	21	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:3:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(COO)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|O<1>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(COO){1|C<3>,4|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	107.1200	0.000	1	107.1200	0.000	1	106.3617	1.762	3	106.7658	1.551	21	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:3:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(COO)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|O<1>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(COO){1|C<3>,3|C<4>,9|H<1>}	H(C[6,6]C[6,6]2C[6])	107.1360	0.000	1	107.1360	0.000	1	106.3617	1.762	3	106.7658	1.551	21	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:3:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|O<1>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.8290	0.000	1	104.8290	0.000	1	106.3617	1.762	3	106.7658	1.551	21	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:3:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CHO)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|O<1>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CHO){1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.6490	0.000	2	105.6490	0.000	2	105.1287	0.812	3	106.7658	1.551	21	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:3:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(COO)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(COO){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	104.0880	0.000	1	104.0880	0.000	1	105.1287	0.812	3	106.7658	1.551	21	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CHO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CHO){3|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.3470	1.095	2	105.8287	1.295	3	106.6848	1.696	6	106.7658	1.551	21	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CHO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|Si<4>,1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CHO){2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.7920	0.000	1	105.8287	1.295	3	106.6848	1.696	6	106.7658	1.551	21	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CHO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CHO){1|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7760	0.000	1	107.7760	0.000	1	106.6848	1.696	6	106.7658	1.551	21	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(COO){1|C<3>,3|C<4>,9|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2630	0.000	1	107.4235	1.410	2	106.6848	1.696	6	106.7658	1.551	21	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(COO){1|C<3>,4|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.5840	0.000	1	107.4235	1.410	2	106.6848	1.696	6	106.7658	1.551	21	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(COO){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1480	0.160	2	107.1480	0.026	2	107.1480	0.026	2	106.7658	1.551	21	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,5,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6]C)(CH3)	H(C[6,6]C[3,6,6]C[6,6]C[6])	C[6,6](C[3,6,6]C[3,5,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[3,6,6]C[6,6]C[6])	105.9000	0.000	1	105.9000	0.000	1	105.9000	0.000	1	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	H(C[6,6]C[5,5,6,6]C[6,6]C[6])	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[5,5,6,6]C[6,6]C[6])	105.6465	0.476	2	105.6465	0.226	2	105.6465	0.226	2	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2C[6])(C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(CH3)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]2C[6])(C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,3|O<2>,5|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	103.6770	0.000	1	103.6770	0.000	1	103.6770	0.000	1	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|O<1>,4|H<1>,7|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	104.4770	0.000	1	104.4770	0.000	1	105.4398	0.426	4	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,2|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){3|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	105.6920	0.000	1	105.6920	0.000	1	105.4398	0.426	4	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<1>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	105.7950	0.191	2	105.7950	0.036	2	105.4398	0.426	4	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(CH3)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.0235	0.183	2	105.5173	0.748	3	105.5173	0.748	3	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(CH3)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(CH3){2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.5050	0.000	1	105.5173	0.748	3	105.5173	0.748	3	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.3140	0.059	2	105.3069	0.016	9	105.3069	0.016	9	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.2380	0.000	1	105.3069	0.016	9	105.3069	0.016	9	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.2453	0.038	3	105.3069	0.016	9	105.3069	0.016	9	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){3|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.6190	0.000	1	105.3069	0.016	9	105.3069	0.016	9	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.2705	0.050	2	105.3069	0.016	9	105.3069	0.016	9	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){4|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	104.9350	0.000	1	104.9510	0.000	3	105.3938	0.376	5	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){4|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	104.9590	0.004	2	104.9510	0.000	3	105.3938	0.376	5	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H){1|O<2>,2|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.0580	0.187	2	106.0580	0.035	2	105.3938	0.376	5	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[3x6]C[6,6]2C)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[3x6]C[6,6]2C)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6,6]C[6])	104.3590	0.000	1	104.3590	0.000	1	104.3590	0.000	1	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.1190	0.000	1	104.0115	0.023	2	103.9323	0.030	3	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	103.9040	0.000	1	104.0115	0.023	2	103.9323	0.030	3	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){2|C<3>,2|H<1>,2|O<2>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	103.7740	0.000	1	103.7740	0.000	1	103.9323	0.030	3	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.2470	0.000	1	106.1440	2.433	2	105.5883	1.706	4	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	105.0410	0.000	1	106.1440	2.433	2	105.5883	1.706	4	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CHHO)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CHHO){1|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	105.8840	0.000	1	105.8840	0.000	1	105.5883	1.706	4	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){2|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	104.1810	0.000	1	104.1810	0.000	1	105.5883	1.706	4	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3){1|Cl<1>,2|C<3>,2|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	106.4370	0.000	1	106.4370	0.000	1	106.1387	0.207	4	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3){2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.3290	0.000	2	106.3290	0.000	2	106.1387	0.207	4	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	105.4600	0.000	1	105.4600	0.000	1	106.1387	0.207	4	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){2|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]2C[6])	105.1350	0.000	1	105.1350	0.000	1	106.1215	1.946	2	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|O<1>,4|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){3|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.1080	0.000	1	107.1080	0.000	1	106.1215	1.946	2	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.5975	0.210	2	104.5975	0.044	2	105.2744	0.518	23	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){2|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	104.1890	0.000	1	104.9132	0.167	5	105.2744	0.518	23	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.1640	0.000	1	104.9132	0.167	5	105.2744	0.518	23	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.0960	0.016	2	104.9132	0.167	5	105.2744	0.518	23	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,3|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.0210	0.000	1	104.9132	0.167	5	105.2744	0.518	23	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3,6]C[6]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[3,6]C[6]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){1|O<2>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	106.6970	0.000	1	106.6970	0.000	1	105.2744	0.518	23	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|O<1>,1|O<2>,2|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	105.4500	0.000	1	105.4500	0.000	1	105.2744	0.518	23	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	104.7240	0.498	2	104.8512	0.108	4	105.2744	0.518	23	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){2|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	105.0550	0.000	1	104.8512	0.108	4	105.2744	0.518	23	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	104.9020	0.000	1	104.8512	0.108	4	105.2744	0.518	23	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6]O)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6]O)(CH3){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	106.2970	0.000	1	106.2970	0.000	1	105.2744	0.518	23	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	105.8920	0.451	2	106.1570	0.262	4	105.2744	0.518	23	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	106.4220	0.549	2	106.1570	0.262	4	105.2744	0.518	23	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	104.6500	0.000	1	104.9010	0.283	3	105.2744	0.518	23	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	105.0265	0.687	2	104.9010	0.283	3	105.2744	0.518	23	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|O<1>,1|O<2>,2|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	105.3890	0.000	1	105.3890	0.000	1	105.2744	0.518	23	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.9810	0.000	1	104.9810	0.000	1	105.2744	0.518	23	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2)(CH3){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.9680	0.000	1	105.9680	0.000	1	105.9680	0.000	1	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.0480	0.000	1	104.0480	0.000	1	105.5280	1.042	21	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|O<1>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.8420	0.000	1	104.8420	0.000	1	105.5280	1.042	21	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	105.6380	0.068	2	104.9731	0.382	7	105.5280	1.042	21	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	104.3763	0.222	3	104.9731	0.382	7	105.5280	1.042	21	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|O<1>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	105.2035	0.360	2	104.9731	0.382	7	105.5280	1.042	21	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	106.1350	0.000	1	105.4433	0.366	3	105.5280	1.042	21	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.0975	0.120	2	105.4433	0.366	3	105.5280	1.042	21	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CHHO)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CHHO){4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.7630	0.000	1	104.7630	0.000	1	105.5280	1.042	21	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]C)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,3|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]C)(CH3){1|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	104.8630	0.000	1	104.8630	0.000	1	105.5280	1.042	21	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	105.1140	0.000	1	105.7500	0.809	2	105.5280	1.042	21	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.3860	0.000	1	105.7500	0.809	2	105.5280	1.042	21	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]N[6]O)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,2|O<1>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.9858	0.320	5	106.9858	0.102	5	105.5280	1.042	21	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]N[6]C)(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]H)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]N[6]C)(C[6]N[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]H)(CH3){2|N<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	105.5060	0.000	1	105.5060	0.000	1	105.6070	0.059	3	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]C)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]C)(CH3){3|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	105.4310	0.000	1	105.6575	0.103	2	105.6070	0.059	3	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]C)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]C)(C[6]C[6]HH)(H){5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]C)(CH3){3|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	105.8840	0.000	1	105.6575	0.103	2	105.6070	0.059	3	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,3x6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|C<3>,6|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.8763	0.319	3	104.8763	0.101	3	104.8763	0.101	3	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]N)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|N<2>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]N)(CH3){2|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	103.9570	0.000	1	103.9570	0.000	1	103.9570	0.000	1	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5,6]O)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5,6]O)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){2|C<3>,4|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.6675	0.093	2	104.6675	0.009	2	104.6675	0.009	2	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.0007	0.275	3	105.0007	0.076	3	105.0007	0.076	3	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)2(CC[6a]O)(CCHH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)2(CC[6a]O)(CCHH){2|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6222	0.114	4	107.6222	0.013	4	107.5605	0.196	6	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)2(CC[6a]O)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)2(CC[6a]O)(CH3){2|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4370	0.945	2	107.4370	0.892	2	107.5605	0.196	6	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.5090	0.000	1	105.5090	0.000	1	105.0650	0.728	30	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6]O)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6]O)(CH3){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.7190	0.000	1	106.7190	0.000	1	105.0650	0.728	30	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){3|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.4110	0.000	1	104.4110	0.000	1	105.0650	0.728	30	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.5387	0.533	4	104.5687	0.255	13	105.0650	0.728	30	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.0510	0.000	1	104.5687	0.255	13	105.0650	0.728	30	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){2|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.0770	0.000	1	104.5687	0.255	13	105.0650	0.728	30	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.4060	0.000	1	104.5687	0.255	13	105.0650	0.728	30	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.6625	0.114	2	104.5687	0.255	13	105.0650	0.728	30	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){2|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.1280	0.000	1	104.5687	0.255	13	105.0650	0.728	30	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<2>,1|O<1>,2|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	103.7940	0.000	1	104.5687	0.255	13	105.0650	0.728	30	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.2285	0.115	2	104.5687	0.255	13	105.0650	0.728	30	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.3570	0.000	1	104.7725	0.345	2	105.0650	0.728	30	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.1880	0.000	1	104.7725	0.345	2	105.0650	0.728	30	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.2970	0.218	3	104.2970	0.047	3	105.0650	0.728	30	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.7997	0.183	3	105.6244	0.080	5	105.0650	0.728	30	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.3615	0.152	2	105.6244	0.080	5	105.0650	0.728	30	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.1170	0.000	1	106.3402	0.240	4	105.0650	0.728	30	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.1210	0.000	1	106.3402	0.240	4	105.0650	0.728	30	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.5615	0.723	2	106.3402	0.240	4	105.0650	0.728	30	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]O)(CHHS)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]O)(CHHS){1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1460	0.000	1	107.0415	0.022	2	105.4835	1.707	44	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]O)(CHHS)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]O)(CHHS){1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9370	0.000	1	107.0415	0.022	2	105.4835	1.707	44	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CO)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]O)(CH3){1|C<4>,2|C<3>,3|H<1>,3|O<2>}	H(C[6,6]C[6,6]C[6]2)	105.1410	0.000	1	105.1410	0.000	1	105.4835	1.707	44	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.8757	0.230	6	104.8757	0.053	6	105.4835	1.707	44	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.5600	0.000	1	104.8513	0.559	20	105.4835	1.707	44	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){4|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.6790	0.000	1	104.8513	0.559	20	105.4835	1.707	44	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){5|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.7090	0.000	1	104.8513	0.559	20	105.4835	1.707	44	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9695	0.969	11	104.8513	0.559	20	105.4835	1.707	44	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.7358	0.416	6	104.8513	0.559	20	105.4835	1.707	44	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]C)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]C)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.8790	0.000	1	104.8165	0.008	2	105.4835	1.707	44	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]C)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]C)(CH3){4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.7540	0.000	1	104.8165	0.008	2	105.4835	1.707	44	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.1550	0.000	1	105.1550	0.000	1	105.4835	1.707	44	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)2(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.9870	0.000	1	105.9870	0.000	1	105.4835	1.707	44	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)2(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]H)(CH3){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8670	0.000	1	106.8670	0.000	1	105.4835	1.707	44	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CS)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CS)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|S<2>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	103.0850	0.000	1	103.0850	0.000	1	105.4835	1.707	44	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|O<2>,2|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6220	0.000	1	106.6220	0.000	1	105.4835	1.707	44	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]OO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]OO)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,3|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	110.0290	0.000	1	110.0290	0.000	1	105.4835	1.707	44	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CHHS)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CHHS){1|C<3>,1|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.5130	0.000	1	106.5130	0.000	1	105.4835	1.707	44	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){2|C<4>,2|O<1>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3460	0.000	1	107.3460	0.000	1	105.4835	1.707	44	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CHHS)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CHHS){1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8660	0.000	1	106.8660	0.000	1	105.4835	1.707	44	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)(CH3){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5545	0.371	2	107.5545	0.138	2	105.4835	1.707	44	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]O)(CCHH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.2785	0.066	2	106.2785	0.004	2	105.4835	1.707	44	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6]C[3,6,6]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]O)(CHHS)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[3,6,6]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]O)(CHHS){1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1605	0.153	2	107.1605	0.024	2	106.6035	1.241	6	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]O)(CC[6a]HH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]O)(CC[6a]HH){1|C<4>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.2600	2.223	2	106.2600	4.942	2	106.6035	1.241	6	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]O)(CCHH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]O)(CCHH){1|C<4>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.3900	0.540	2	106.3900	0.292	2	106.6035	1.241	6	105.4425	1.143	182	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3,5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[3,5,6]C[6,6]C[6])	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	C[6,6](C[6,6]C[3,5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	H(C[6,6]C[3,5,6]C[6,6]C[6])	109.3940	0.000	1	109.3940	0.000	1	109.3940	0.000	1	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[3,6,6]C[6,6]C[6])	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[3,6,6]C[6,6]C[6])	107.1620	0.000	1	107.1620	0.000	1	107.1620	0.000	1	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[3,6]C[5,6]C[6,6])	C[6,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[3,6]C[5,6]C[6,6])	108.3410	0.000	1	108.1410	0.080	2	108.1410	0.080	2	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[3,6]C[5,6]C[6,6])	C[6,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[3,6]C[5,6]C[6,6])	107.9410	0.000	1	108.1410	0.080	2	108.1410	0.080	2	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3,6]C[3,5,6]O[3]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6,6]HH)(H)	H(C[6,6]C[3,6]C[6,6]C[6])	C[6,6](C[3,6]C[3,5,6]O[3]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){4|H<1>,5|C<4>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6,6]HH)(H){3|O<2>,5|C<4>,5|H<1>}	H(C[6,6]C[3,6]C[6,6]C[6])	107.8480	0.000	1	107.8480	0.000	1	107.8480	0.000	1	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[3,6]C[6,6]C[6])	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){3|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	H(C[6,6]C[3,6]C[6,6]C[6])	105.2500	0.000	1	105.2500	0.000	1	106.2080	1.836	2	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[3,6]C[6,6]C[6])	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[3,6]C[6,6]C[6])	107.1660	0.000	1	107.1660	0.000	1	106.2080	1.836	2	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2H)(H)	H(C[6,6]C[3x6]2C[6,6])	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2H)(H){10|H<1>,1|C<3>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2H)(H){1|O<1>,6|C<4>,8|H<1>}	H(C[6,6]C[3x6]2C[6,6])	106.4660	0.000	1	108.2472	3.915	4	108.2472	3.915	4	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2H)(H)	H(C[6,6]C[3x6]2C[6,6])	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2H)(H){10|H<1>,6|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2H)(H){10|H<1>,6|C<4>}	H(C[6,6]C[3x6]2C[6,6])	109.6660	1.853	2	108.2472	3.915	4	108.2472	3.915	4	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2H)(H)	H(C[6,6]C[3x6]2C[6,6])	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2H)(H){1|O<1>,6|C<4>,8|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2H)(H){10|H<1>,1|C<3>,5|C<4>}	H(C[6,6]C[3x6]2C[6,6])	107.1910	0.000	1	108.2472	3.915	4	108.2472	3.915	4	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H){1|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]C)	107.3912	0.664	6	107.3912	0.441	6	107.6463	0.271	32	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H)	C[6,6](C[3x6]C[6,6,6a]2Ir)(C[6,6]C[3x6]CH)(CHHO)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H){1|Ir<6>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2Ir)(C[6,6]C[3x6]CH)(CHHO)(H){1|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]C)	107.4050	0.000	1	107.4050	0.000	1	107.6463	0.271	32	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H)	C[6,6](C[3x6]C[6,6,6a]2Ru)(C[6,6]C[3x6]CH)(CHHO)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H){1|Ru<6>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2Ru)(C[6,6]C[3x6]CH)(CHHO)(H){1|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]C)	107.0930	0.000	1	107.0930	0.000	1	107.6463	0.271	32	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHP)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHP)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHP)(H){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHP)(H){1|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]C)	107.8875	0.021	2	107.8875	0.000	2	107.6463	0.271	32	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CN[5]HH)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CN[5]HH)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CN[5]HH)(H){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CN[5]HH)(H){1|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]C)	107.7894	0.542	14	107.7894	0.293	14	107.6463	0.271	32	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2Ir)(C[6,6]C[3x6]CH)(CHHO)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6,6a]2Ir)(C[6,6]C[3x6]CH)(CHHO)(H){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H){1|Ir<6>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]C)	107.2880	0.000	1	107.2880	0.000	1	107.6463	0.271	32	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2Ru)(C[6,6]C[3x6]CH)(CHHO)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6,6a]2Ru)(C[6,6]C[3x6]CH)(CHHO)(H){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H){1|Ru<6>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]C)	107.1480	0.000	1	107.1480	0.000	1	107.6463	0.271	32	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)(H)	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[3x6]CH)(CCHH)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[3x6]CH)(CCHH)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.1790	0.000	1	108.1790	0.000	1	107.6463	0.271	32	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CHHO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CHHO)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CHHO)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CHHO)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.8315	0.181	4	107.8315	0.033	4	107.6463	0.271	32	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[3x6]CH)(CCHH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[3x6]CH)(CCHH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]C)	107.0700	0.000	1	107.0700	0.000	1	107.6463	0.271	32	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(CHHO)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(CHHO)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(CHHO)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(CHHO)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.2920	0.000	1	107.2920	0.000	1	107.2920	0.000	1	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CO)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CO)(H)	H(C[6,6]C[3x6]C[6,6]2)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CO)(H){2|C<3>,2|C<4>,2|H<1>,4|O<2>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CO)(H){2|C<3>,2|C<4>,2|H<1>,4|O<2>}	H(C[6,6]C[3x6]C[6,6]2)	105.7755	0.179	2	105.7755	0.032	2	105.7755	0.032	2	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|O<2>,5|C<4>,6|H<1>}	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[3x6]C[6,6]C[6])	107.3270	0.000	1	107.3270	0.000	1	107.1525	0.061	2	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){3|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	H(C[6,6]C[3x6]C[6,6]C[6])	106.9780	0.000	1	106.9780	0.000	1	107.1525	0.061	2	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){1|C<3>,4|C<4>,4|O<2>,7|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	106.6160	0.000	1	106.6160	0.000	1	106.6160	0.000	1	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2C)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,9|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	107.7630	0.000	1	107.7630	0.000	1	107.7630	0.000	1	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:N[5]-4:H-1:	C[6,6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(N[5]C[5]2H)(H)	C[6,6](C[6,6]C[3x6]N[5]H)(C[3x6]C[6,6]2H)(CCHH)(H)	H(C[6,6]C[3x6]C[6,6]N[5])	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(N[5]C[5]2H)(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]N[5]H)(C[3x6]C[6,6]2H)(CCHH)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]N[5])	107.5420	0.000	1	107.5420	0.000	1	107.5420	0.000	1	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:P-4:H-1:	C[3x6]-4:C[6,6]-4:P-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HP)(PC[6a]2Rh)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HP)(PC[6a]2Rh)(H)	H(C[6,6]C[3x6]C[6,6]P)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HP)(PC[6a]2Rh)(H){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HP)(PC[6a]2Rh)(H){1|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]P)	104.9240	0.472	2	104.9240	0.223	2	104.9240	0.223	2	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:B-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]BH)(CH3)(H)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(BN[5]3)(H)	H(C[6,6]C[4,6,6]C[6,6]C)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]BH)(CH3)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(BN[5]3)(H){2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]C)	108.7630	0.000	1	108.7630	0.000	1	108.7630	0.000	1	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:N-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(CH3)(H)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NPdHH)(H)	H(C[6,6]C[4,6,6]C[6,6]C)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(CH3)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NPdHH)(H){2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]C)	106.7915	0.030	2	106.7915	0.001	2	106.7915	0.001	2	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(CHHO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(CHHO)(H)	H(C[6,6]C[4x6]C[6,6]C)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(CHHO)(H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(CHHO)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[4x6]C[6,6]C)	105.6520	0.000	1	105.6520	0.000	1	105.6520	0.000	1	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]O[5,6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,5,6,6]C[6,6]C[6])	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]O[5,6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[5,5,6,6]C[6,6]C[6])	107.4660	0.000	1	107.4660	0.000	1	107.8175	0.247	2	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,5,6,6]C[5,5,6]O[5,6]2)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,5,6,6]C[6,6]C[6])	C[6,6](C[5,5,6,6]C[5,5,6]O[5,6]2)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[5,5,6,6]C[6,6]C[6])	108.1690	0.000	1	108.1690	0.000	1	107.8175	0.247	2	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6,6]C[5,5,6,6]C[6,6]C[6])	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[5,5,6,6]C[6,6]C[6])	106.9865	0.885	2	106.1635	1.249	4	106.0958	0.960	5	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6,6]C[5,5,6,6]C[6,6]C[6])	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,6|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[5,5,6,6]C[6,6]C[6])	105.3405	0.506	2	106.1635	1.249	4	106.0958	0.960	5	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HO)2(H)	H(C[6,6]C[5,5,6,6]C[6,6]C[6])	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HO)2(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[5,5,6,6]C[6,6]C[6])	105.8250	0.000	1	105.8250	0.000	1	106.0958	0.960	5	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]O[5,6]O)(C[6,6]C[6,6]C[6]H)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6,6]CH)(C[6]C[5,6]HH)(H)	H(C[6,6]C[5,6,6]C[6,6]C)	C[6,6](C[5,6,6]C[5,6]O[5,6]O)(C[6,6]C[6,6]C[6]H)(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6,6]CH)(C[6]C[5,6]HH)(H){1|C<3>,3|C<4>,3|H<1>,3|O<2>}	H(C[6,6]C[5,6,6]C[6,6]C)	108.2250	0.000	1	108.2250	0.000	1	108.2250	0.000	1	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	106.4190	0.194	2	106.5530	0.073	3	106.3880	0.157	4	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|S<2>,4|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H){1|C<3>,1|S<2>,5|H<1>,6|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	106.8210	0.000	1	106.5530	0.073	3	106.3880	0.157	4	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){10|H<1>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	105.8930	0.000	1	105.8930	0.000	1	106.3880	0.157	4	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[5,6]BrH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]BrH)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[5,6]BrH)(H){1|Br<1>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]BrH)(C[6]C[6]HH)(H){1|Br<1>,4|C<4>,5|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	108.5740	0.000	1	108.5740	0.000	1	106.0545	12.696	2	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6]C[6]CN)(H)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|N<2>,3|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6]C[6]CN)(H){1|O<2>,2|C<4>,2|N<3>,5|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	103.5350	0.000	1	103.5350	0.000	1	106.0545	12.696	2	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[3,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(H)	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[3,6]C[5,6]C[6,6])	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(H){1|C<3>,6|H<1>,7|C<4>}	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[3,6]C[5,6]C[6,6])	108.3200	1.484	2	108.3200	2.201	2	108.3200	2.201	2	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[6,6]C[5,6]C[6]H)(H)	C[6,6](C[5,6]C[5,5,6]C[5]C)(C[6,6]C[5,6]2H)(C[6]C[5,6]HH)(H)	H(C[6,6]C[5,6]2C[6,6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[6,6]C[5,6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,5,6]C[5]C)(C[6,6]C[5,6]2H)(C[6]C[5,6]HH)(H){2|C<3>,3|C<4>,3|O<2>,5|H<1>}	H(C[6,6]C[5,6]2C[6,6])	106.0210	0.000	1	106.0210	0.000	1	106.0210	0.000	1	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.6910	0.000	1	106.6910	0.000	1	106.9655	0.151	2	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){3|O<2>,5|C<4>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.2400	0.000	1	107.2400	0.000	1	106.9655	0.151	2	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,5,6]C[5]C)(C[6,6]C[5,6]2H)(C[6]C[5,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[6,6]C[5,6]C[6]H)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,5,6]C[5]C)(C[6,6]C[5,6]2H)(C[6]C[5,6]HH)(H){2|C<3>,3|C<4>,3|O<2>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(C[6,6]C[5,6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.2690	0.000	1	106.2690	0.000	1	106.2690	0.000	1	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.0320	0.000	1	106.4555	0.222	6	107.7281	1.895	14	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.3402	0.421	5	106.4555	0.222	6	107.7281	1.895	14	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|N<3>,4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.7250	0.000	1	106.7250	0.000	1	107.7281	1.895	14	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.3840	0.000	1	109.0352	0.382	6	107.7281	1.895	14	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.1654	0.592	5	109.0352	0.382	6	107.7281	1.895	14	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|N<3>,4|C<4>,8|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.5250	0.000	1	108.5250	0.000	1	107.7281	1.895	14	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:F-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(F)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(F){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.3961	0.482	7	108.4580	0.230	8	108.4580	0.230	8	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:F-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(F)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H){1|O<2>,3|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(F){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.8910	0.000	1	108.4580	0.230	8	108.4580	0.230	8	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]ClH)(H)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]ClH)(H){1|C<3>,1|O<2>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.9250	0.000	1	108.9250	0.000	1	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.2820	0.000	1	108.3930	1.590	5	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.4970	0.000	1	108.3930	1.590	5	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.7287	1.230	3	108.3930	1.590	5	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|C<3>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.9530	0.000	1	108.9530	0.000	1	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.0820	0.000	1	109.0820	0.000	1	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|O<2>,5|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|O<2>,6|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.9000	0.000	1	107.9000	0.000	1	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	114.5910	0.000	1	110.6410	7.350	4	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.4150	0.000	1	110.6410	7.350	4	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.8310	0.000	1	110.6410	7.350	4	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.7270	0.000	1	110.6410	7.350	4	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.6840	0.000	1	107.6840	0.000	1	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.3240	0.000	1	108.3240	0.000	1	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,6|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.5330	0.000	1	107.5330	0.000	1	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.8180	0.000	1	107.8180	0.000	1	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H){2|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.7920	0.000	1	108.7920	0.000	1	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.1380	0.355	4	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.2540	0.000	1	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.1900	0.000	1	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.7310	0.000	1	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.6125	0.074	2	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|Cl<1>,5|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.4010	0.038	2	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|N<3>,5|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.5550	0.000	1	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,8|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.2420	0.000	1	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.6810	0.000	1	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.8843	0.444	96	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.4310	0.775	5	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.4010	0.000	1	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.7805	0.902	2	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.8950	0.000	1	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.7175	0.430	37	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.2671	0.247	7	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|N<2>,5|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.4860	0.000	1	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|N<2>,5|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.6060	0.000	1	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|N<3>,5|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.5570	0.000	1	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,5|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.0897	0.898	3	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,8|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.4490	0.000	1	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.8208	0.318	4	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.2780	0.000	1	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.2740	0.000	1	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.5149	0.822	37	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.7210	0.000	1	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,5|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|Cl<1>,5|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.8330	0.000	1	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,5|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.5460	0.030	2	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|N<2>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.5350	0.000	1	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|N<2>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.4445	0.320	2	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|N<3>,5|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.6750	0.000	1	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.2240	0.000	1	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.4820	0.000	1	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.6760	0.000	1	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.3517	0.274	4	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.5850	0.000	1	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.1050	0.000	1	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.9646	0.623	5	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.5007	0.269	4	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.9700	0.000	1	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.0456	0.240	11	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.7383	1.909	3	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.9660	0.000	1	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|S<2>,4|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	111.2200	0.000	1	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.9778	0.112	4	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.5053	0.329	11	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.4373	0.154	6	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.4170	0.000	1	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.1325	0.323	22	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.0729	0.270	7	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.9915	0.032	2	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.0070	0.000	1	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<4>,4|C<3>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.9520	0.000	1	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){4|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.7220	0.000	1	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,3|C<4>,8|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.9770	0.093	2	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.7761	0.291	36	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.1070	0.000	1	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|N<3>,4|C<4>,8|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.7350	0.000	1	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,8|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.2390	0.275	5	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.5766	0.382	29	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.4008	0.150	4	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.3394	0.607	69	108.6798	0.319	459	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|F<1>,1|O<2>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.2300	0.000	1	109.1124	0.212	21	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.0555	0.093	2	109.1124	0.212	21	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.6950	0.014	2	109.1124	0.212	21	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.0520	0.557	7	109.1124	0.212	21	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.2044	0.289	7	109.1124	0.212	21	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.6560	0.000	1	109.1124	0.212	21	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,2|O<2>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.1790	0.000	1	109.1124	0.212	21	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.1100	0.000	1	108.5449	2.450	22	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.3621	1.269	15	108.5449	2.450	22	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.7080	0.000	1	108.5449	2.450	22	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	110.2507	3.012	3	108.5449	2.450	22	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.8930	0.000	1	108.5449	2.450	22	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.0930	0.000	1	108.5449	2.450	22	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]N)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|N<2>,3|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]N)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.2960	0.000	1	108.2960	0.000	1	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.9750	0.000	1	108.9750	0.000	1	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|N<3>,5|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.9050	0.000	2	106.9050	0.000	2	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|C<3>,1|N<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.5430	0.000	1	107.5577	0.644	106	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.8670	0.134	3	107.5577	0.644	106	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.7415	0.105	2	107.5577	0.644	106	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,3|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.9760	0.000	1	107.5577	0.644	106	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.7330	0.000	1	107.5577	0.644	106	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){5|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.7390	0.000	1	107.5577	0.644	106	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.1680	0.000	1	107.5577	0.644	106	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.4830	0.000	2	107.5577	0.644	106	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.0495	0.163	2	107.5577	0.644	106	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.4979	0.824	92	107.5577	0.644	106	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)(H){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|S<2>,4|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.3564	0.146	5	107.3564	0.021	5	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H){1|C<3>,2|O<2>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.6060	0.000	1	106.6060	0.000	1	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.9270	0.000	1	106.9237	0.192	19	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.3930	0.000	1	106.9237	0.192	19	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.0850	0.000	1	106.9237	0.192	19	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.1120	0.000	1	106.9237	0.192	19	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){3|O<2>,5|C<4>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.3890	0.000	1	106.9237	0.192	19	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.7095	0.370	10	106.9237	0.192	19	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.1372	0.601	4	106.9237	0.192	19	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.6345	0.371	2	106.6767	0.074	3	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){2|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.7610	0.000	1	106.6767	0.074	3	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|O<2>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.7490	0.000	1	106.7490	0.000	1	108.4322	0.779	659	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){5|C<4>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.8290	0.000	1	106.8290	0.000	1	107.9729	0.704	14	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.3840	0.000	1	108.5962	0.040	8	107.9729	0.704	14	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.6642	0.091	5	108.5962	0.040	8	107.9729	0.704	14	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.2420	0.000	1	108.5962	0.040	8	107.9729	0.704	14	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.8230	0.000	1	108.5962	0.040	8	107.9729	0.704	14	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]N[6,6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6,6]CO)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]N[6,6]HH)(H){1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6,6]CO)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.4980	0.696	2	107.4980	0.484	2	107.9729	0.704	14	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.1610	0.000	1	107.3405	0.064	2	107.9729	0.704	14	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.5200	0.000	1	107.3405	0.064	2	107.9729	0.704	14	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.3440	0.000	1	106.3440	0.000	1	107.9729	0.704	14	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6a]C[5,6]O)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(N[6]C[6]CH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6a]C[5,6]O)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(N[6]C[6]CH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	103.1610	0.000	1	103.1610	0.000	1	103.1610	0.000	1	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[3x6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:N[5]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]N[5]H)(C[3x6]C[6,6]2H)(CCHH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(N[5]C[5]2H)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[6,6]C[3x6]N[5]H)(C[3x6]C[6,6]2H)(CCHH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(N[5]C[5]2H)(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.1020	0.000	1	108.1020	0.000	1	108.1020	0.000	1	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[4,6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:B[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]B[6]H)(C[4,6,6]C[4,6]2H)(CH3)(H)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(B[6]N[6]O[6]F)(H)	H(C[6,6]C[4,6,6]C[6,6]C)	C[6,6](C[6,6]C[6,6]B[6]H)(C[4,6,6]C[4,6]2H)(CH3)(H){1|F<1>,1|N<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(B[6]N[6]O[6]F)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[4,6,6]C[6,6]C)	106.0900	4.801	2	106.0900	23.052	2	106.0900	23.052	2	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[4,6,6]-4:C-4:H-1:	N[5,5]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]N[5,5]H)(C[4,6,6]C[4,6]2H)(CH3)(H)	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]C)	C[6,6](C[6,6]C[6,6]N[5,5]H)(C[4,6,6]C[4,6]2H)(CH3)(H){1|B<4>,4|H<1>,5|C<4>}	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H){2|C<3>,2|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[4,6,6]C[6,6]C)	107.3943	0.067	3	107.4260	0.007	4	107.4260	0.007	4	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[4,6,6]-4:C-4:H-1:	N[5,5]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]N[5,5]H)(C[4,6,6]C[4,6]2H)(CH3)(H)	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]C)	C[6,6](C[6,6]C[6,6]N[5,5]H)(C[4,6,6]C[4,6]2H)(CH3)(H){1|B<4>,4|H<1>,5|C<4>}	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H){2|C<4>,2|O<2>,3|C<3>,6|H<1>}	H(C[6,6]C[4,6,6]C[6,6]C)	107.5210	0.000	1	107.4260	0.007	4	107.4260	0.007	4	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,9|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.5480	0.165	2	107.3040	0.192	3	107.6993	0.753	4	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H){1|C<3>,1|S<2>,5|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|S<2>,4|C<4>,9|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.8160	0.000	1	107.3040	0.192	3	107.6993	0.753	4	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){10|H<1>,1|O<2>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.8850	0.000	1	108.8850	0.000	1	107.6993	0.753	4	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:Br-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]Br)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(Br)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]Br)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(Br){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.7390	0.000	1	107.5485	0.073	2	107.5485	0.073	2	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:Br-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]Br)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(Br)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]Br)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(Br){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.3580	0.000	1	107.5485	0.073	2	107.5485	0.073	2	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:Cl-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(Cl)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(Cl){5|C<4>,8|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.2380	0.000	1	107.4769	0.045	7	107.4769	0.045	7	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:Cl-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(Cl)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(Cl){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.5167	0.203	6	107.4769	0.045	7	107.4769	0.045	7	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:B-4:H-1:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(BN[5]3)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]BH)(CH3)(H)	H(C[6,6]C[6,6]2B)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(BN[5]3)(H){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]BH)(CH3)(H){3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2B)	103.2120	0.000	1	103.2120	0.000	1	103.2120	0.000	1	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:B[6]-4:H-1:	C[6,6]-4:C[4,6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(B[6]N[6]O[6]F)(H)	C[6,6](C[6,6]C[6,6]B[6]H)(C[4,6,6]C[4,6]2H)(CH3)(H)	H(C[6,6]C[6,6]2B[6])	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(B[6]N[6]O[6]F)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]B[6]H)(C[4,6,6]C[4,6]2H)(CH3)(H){1|F<1>,1|N<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2B[6])	104.9465	5.926	2	104.9465	35.121	2	104.9465	35.121	2	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(CCHH)(H)	C[6,6](C[6,6]C[6,6]CH)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(CCHH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]CH)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|N<3>,3|H<1>}	H(C[6,6]C[6,6]2C)	108.0035	0.479	2	108.0035	0.229	2	107.8800	0.188	4	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[5a,6]N[6]H)(C[6,6]C[6]2H)(CCHH)(H)	C[6,6](C[6,6]C[6,6]CH)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]N[5a,6]N[6]H)(C[6,6]C[6]2H)(CCHH)(H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]CH)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H){1|C<3>,2|N<3>,3|H<1>}	H(C[6,6]C[6,6]2C)	107.7565	0.524	2	107.7565	0.275	2	107.8800	0.188	4	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6]N[6]H)(CH3)(H)	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6]N[6]H)(CH3)(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]2C)	107.8930	0.000	1	107.8930	0.000	1	107.8930	0.000	1	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	105.6210	0.000	1	105.6210	0.000	1	105.6210	0.000	1	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.4760	0.000	1	106.4760	0.000	1	106.4760	0.000	1	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.8070	0.000	1	106.3435	0.576	2	106.3435	0.576	2	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.8800	0.000	1	106.3435	0.576	2	106.3435	0.576	2	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6,6]HH)(H)	C[6,6](C[3,6]C[3,5,6]O[3]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6,6]HH)(H){3|O<2>,5|C<4>,5|H<1>}	C[6,6](C[3,6]C[3,5,6]O[3]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	107.0130	0.000	1	107.0130	0.000	1	107.0130	0.000	1	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]O[5,6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]O[5,6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.6230	0.000	1	106.6230	0.000	1	106.6855	0.008	2	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,5,6,6]C[5,5,6]O[5,6]2)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6]O[5,6]2)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.7480	0.000	1	106.7480	0.000	1	106.6855	0.008	2	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6,6]CH)(C[6]C[5,6]HH)(H)	C[6,6](C[5,6,6]C[5,6]O[5,6]O)(C[6,6]C[6,6]C[6]H)(CH3)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6,6]CH)(C[6]C[5,6]HH)(H){1|C<3>,3|C<4>,3|H<1>,3|O<2>}	C[6,6](C[5,6,6]C[5,6]O[5,6]O)(C[6,6]C[6,6]C[6]H)(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	107.8510	0.000	1	107.8510	0.000	1	107.8510	0.000	1	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]BrH)(C[6]C[6]HH)(H)	C[6,6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[5,6]BrH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]BrH)(C[6]C[6]HH)(H){1|Br<1>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[5,6]BrH)(H){1|Br<1>,5|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	108.7840	0.000	1	108.7840	0.000	1	108.3965	0.300	2	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6]C[6]CN)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6]C[6]CN)(H){1|O<2>,2|C<4>,2|N<3>,5|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|N<2>,3|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	108.0090	0.000	1	108.0090	0.000	1	108.3965	0.300	2	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[3,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(H){1|C<3>,6|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.5055	0.938	2	106.5055	0.880	2	106.5055	0.880	2	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]ClH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]ClH)(H){1|C<3>,1|O<2>,4|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	105.0870	0.000	1	105.0870	0.000	1	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.1590	0.000	1	105.7885	0.079	4	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.8530	0.000	1	105.7885	0.079	4	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.5840	0.000	1	105.7885	0.079	4	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	105.5580	0.000	1	105.7885	0.079	4	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H){1|C<3>,2|O<2>,4|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	107.2980	0.000	1	107.2980	0.000	1	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.2460	0.000	1	106.2460	0.000	1	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H){2|O<2>,5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.8820	0.000	1	104.8820	0.000	1	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.1777	0.822	3	105.9642	0.428	5	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.7360	0.000	1	105.9642	0.428	5	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.5520	0.000	1	105.9642	0.428	5	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|C<3>,4|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	105.8420	0.000	1	105.8420	0.000	1	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.2610	0.000	1	106.2610	0.000	1	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.6510	0.000	1	106.6510	0.000	1	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,6|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	105.6105	0.558	2	105.6105	0.311	2	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.2185	0.013	2	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.1410	0.338	2	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.3480	0.000	1	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.8960	0.000	1	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.1770	0.000	1	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.7470	0.000	1	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.7020	0.000	1	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.2160	0.000	1	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|N<2>,4|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.8600	0.000	1	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|S<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.6120	0.000	1	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.4230	0.000	1	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.9520	0.277	2	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.1790	0.339	95	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.0040	0.000	1	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.8049	0.619	38	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.0783	0.311	12	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.8872	0.270	4	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	105.8584	0.505	22	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.9499	0.229	7	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.8498	0.234	6	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|N<2>,4|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.2760	0.392	2	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.1043	0.246	4	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	105.8154	0.319	35	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	105.8040	0.000	1	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|Cl<1>,5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.5960	0.054	2	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|Cl<1>,5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,5|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.6750	0.000	1	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|N<2>,5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.7950	0.000	1	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|N<2>,5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.3360	0.000	1	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|N<3>,4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.1550	0.000	1	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|N<3>,5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.4650	0.000	1	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|N<3>,5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.1900	0.000	1	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.2680	0.251	3	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.0190	0.000	1	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.1620	0.000	1	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.3744	0.233	5	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.2520	0.000	1	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.4000	0.211	4	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.4780	0.000	1	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,5|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.4405	0.018	2	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|N<3>,5|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.6000	0.000	1	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.3988	0.110	5	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.1444	0.545	28	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.1592	0.348	11	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.1160	0.219	2	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<4>,4|C<3>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.0390	0.000	1	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.3925	0.264	4	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.0330	1.070	5	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.7900	0.000	1	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.3850	0.000	1	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	105.6400	0.000	1	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.5083	0.081	3	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	106.3270	0.000	1	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.9810	0.000	1	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.0337	0.135	3	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.5980	0.000	1	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.7010	0.000	1	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){4|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	106.3410	0.000	1	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.1443	0.531	36	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.0327	0.137	4	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.7987	0.123	6	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.1614	1.407	70	106.0807	0.479	455	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|N<3>,5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	107.1640	0.000	2	107.1640	0.000	2	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.0433	0.322	3	106.5218	0.967	104	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.0530	0.000	1	106.5218	0.967	104	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,3|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.1180	0.000	1	106.5218	0.967	104	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){5|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.1020	0.000	1	106.5218	0.967	104	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.9100	0.000	1	106.5218	0.967	104	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.1180	0.198	2	106.5218	0.967	104	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.3500	0.000	2	106.5218	0.967	104	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|C<3>,1|N<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.4810	0.000	1	106.5218	0.967	104	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.2140	0.236	2	106.5218	0.967	104	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|O<2>,5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.5679	1.045	90	106.5218	0.967	104	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|S<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.9136	0.433	5	105.9136	0.187	5	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.9800	0.000	1	107.0745	0.335	19	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.7360	0.000	1	107.0745	0.335	19	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.7030	0.000	1	107.0745	0.335	19	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	107.0409	0.601	10	107.0745	0.335	19	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|O<2>,5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.1140	0.000	1	107.0745	0.335	19	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|O<2>,5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	107.3533	0.854	4	107.0745	0.335	19	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){3|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.0610	0.000	1	107.0745	0.335	19	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|O<2>,5|C<4>}	C[6,6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	107.7180	0.000	1	107.7180	0.000	1	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|O<2>,6|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|O<2>,5|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.2610	0.000	1	104.2610	0.000	1	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.2180	0.016	2	105.3485	1.711	20	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|F<1>,1|O<2>,4|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.6660	0.000	1	105.3485	1.711	20	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.6260	0.192	2	105.3485	1.711	20	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.2678	0.895	6	105.3485	1.711	20	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,2|O<2>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.2330	0.000	1	105.3485	1.711	20	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	105.6639	1.942	7	105.3485	1.711	20	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,4|C<3>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.1290	0.000	1	105.3485	1.711	20	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	107.8805	0.855	2	107.5170	0.762	3	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){2|O<2>,5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.7900	0.000	1	107.5170	0.762	3	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	106.5679	0.550	14	107.1993	4.555	21	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	109.7967	5.510	3	107.1993	4.555	21	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.0100	0.000	1	107.1993	4.555	21	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	107.3870	0.000	1	107.1993	4.555	21	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	107.6990	0.000	1	107.1993	4.555	21	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	107.7480	0.000	1	107.1993	4.555	21	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]N)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]N)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|N<2>,3|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.8080	0.000	1	106.8080	0.000	1	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.3370	0.000	1	106.3370	0.000	1	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.4110	0.000	1	106.4110	0.000	1	106.1994	0.827	652	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,9|H<1>}	H(C[6,6]C[6,6]2C[6])	107.7820	0.000	1	107.6250	0.050	3	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){4|C<4>,9|H<1>}	H(C[6,6]C[6,6]2C[6])	107.5465	0.251	2	107.6250	0.050	3	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[5a,6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5a,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[5a,6]HH)(H){1|N<2>,2|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	108.6120	0.839	2	108.6120	0.703	2	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HO)(H){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.9160	0.000	1	106.9160	0.000	1	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	105.9950	0.000	1	105.8472	1.306	9	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|C<3>,1|N<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.7620	0.000	1	105.8472	1.306	9	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.0860	0.000	1	105.8472	1.306	9	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|N<3>,2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.2235	0.146	2	105.8472	1.306	9	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.6630	0.000	1	105.8472	1.306	9	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	102.8930	0.000	1	105.8472	1.306	9	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|O<2>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.1910	0.000	1	105.8472	1.306	9	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.5880	0.000	1	105.8472	1.306	9	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.7290	0.427	2	106.1433	1.120	3	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	104.9720	0.000	1	106.1433	1.120	3	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H){2|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	107.1310	0.000	1	107.1310	0.000	1	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	106.4430	0.000	1	106.4430	0.000	1	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[5a,6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[5a,6]HH)(H){1|N<2>,2|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.2275	0.276	2	105.2275	0.076	2	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	105.0950	0.000	1	106.7773	1.712	4	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.7650	0.000	1	106.7773	1.712	4	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.9650	0.000	1	106.7773	1.712	4	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	108.2840	0.000	1	106.7773	1.712	4	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|F<1>,1|N<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.5650	0.000	1	106.8521	0.144	7	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,2|O<1>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<4>,4|C<3>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.9864	0.369	5	106.8521	0.144	7	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.4680	0.000	1	106.8521	0.144	7	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HO)(H){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.6560	0.000	1	104.6560	0.000	1	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){2|O<2>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	107.5900	0.000	1	107.5900	0.000	1	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	106.9150	0.000	1	107.0843	0.022	3	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	107.1690	0.038	2	107.0843	0.022	3	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	107.6250	0.000	1	107.3925	0.108	2	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	107.1600	0.000	1	107.3925	0.108	2	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	107.4360	0.000	1	107.4360	0.000	1	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]C)(C[6]C[5a,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]C)(C[6]C[5a,6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|N<3>,2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.9860	0.288	2	106.9860	0.083	2	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	105.5000	0.000	1	105.7010	0.081	2	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]C)(C[6]C[6]HH)(H){5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|C<3>,1|N<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.9020	0.000	1	105.7010	0.081	2	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.4440	0.000	1	106.5593	0.147	4	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.8395	0.269	2	106.5593	0.147	4	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|O<2>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.1140	0.000	1	106.5593	0.147	4	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){2|O<2>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	106.9030	0.000	1	106.9030	0.000	1	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[5a,6]HH)(H)	C[6,6](C[6,6]C[5a,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[5a,6]HH)(H){1|N<2>,2|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[5a,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	106.7520	5.206	2	106.7520	27.100	2	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[5a,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[5a,6]HH)(H){1|N<2>,2|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	107.3005	2.041	2	107.3005	4.167	2	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	108.5690	0.000	1	108.2078	0.082	9	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|C<3>,1|N<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	108.0990	0.000	1	108.2078	0.082	9	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	108.5930	0.000	1	108.2078	0.082	9	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	108.3740	0.000	1	108.2078	0.082	9	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|N<3>,2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	108.0490	0.233	2	108.2078	0.082	9	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|O<2>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	108.1080	0.000	1	108.2078	0.082	9	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	108.2860	0.000	1	108.2078	0.082	9	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	107.7430	0.000	1	108.2078	0.082	9	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	108.1485	0.456	2	108.3713	0.253	3	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	108.8170	0.000	1	108.3713	0.253	3	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H){2|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	107.5660	0.000	1	107.5660	0.000	1	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	109.3880	0.000	1	108.5397	0.499	4	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	108.7900	0.000	1	108.5397	0.499	4	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	108.2260	0.000	1	108.5397	0.499	4	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	107.7550	0.000	1	108.5397	0.499	4	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,9|H<1>}	H(C[6,6]C[6,6]2C[6])	108.5520	0.000	1	108.5225	0.002	2	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){4|C<4>,9|H<1>}	H(C[6,6]C[6,6]2C[6])	108.4930	0.000	1	108.5225	0.002	2	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]C)(C[6]C[5a,6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|N<3>,2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]C)(C[6]C[5a,6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	108.0575	0.217	2	108.0575	0.047	2	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	108.5790	0.000	1	108.3725	0.085	2	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|C<3>,1|N<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]C)(C[6]C[6]HH)(H){5|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	108.1660	0.000	1	108.3725	0.085	2	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	108.6280	0.000	1	108.2887	0.145	4	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	108.1860	0.529	2	108.2887	0.145	4	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|O<2>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	108.1550	0.000	1	108.2887	0.145	4	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	107.3685	1.590	2	107.3685	2.529	2	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|F<1>,1|N<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	107.8190	0.000	1	108.0454	0.035	7	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	107.9800	0.000	1	108.0454	0.035	7	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<4>,4|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,2|O<1>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	108.1038	0.186	5	108.0454	0.035	7	107.2704	1.608	90	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	107.5510	0.000	1	107.5510	0.000	1	107.0041	0.377	19	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){1|C<3>,2|H<1>,4|C<4>,6|O<2>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	107.1450	0.000	1	107.1450	0.000	1	107.0041	0.377	19	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.4690	0.000	1	106.5168	0.152	6	107.0041	0.377	19	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	106.7590	0.051	2	106.5168	0.152	6	107.0041	0.377	19	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	106.0645	0.094	2	106.5168	0.152	6	107.0041	0.377	19	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	106.9850	0.000	1	106.5168	0.152	6	107.0041	0.377	19	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.3415	0.049	2	106.3415	0.002	2	107.0041	0.377	19	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]CH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]CH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]2C[6])	107.3700	0.000	1	107.3700	0.000	1	107.0041	0.377	19	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){2|O<2>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	107.6120	0.000	1	107.6120	0.000	1	107.0041	0.377	19	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	107.4930	0.793	2	107.2328	0.227	5	107.0041	0.377	19	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.0593	0.162	3	107.2328	0.227	5	107.0041	0.377	19	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|N<3>,2|O<2>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	107.1390	0.000	1	107.7255	0.688	2	107.0041	0.377	19	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	108.3120	0.000	1	107.7255	0.688	2	107.0041	0.377	19	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]CH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]CH)(H){5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<4>,3|C<4>,9|H<1>}	H(C[6,6]C[6,6]2C[6])	106.3630	0.000	1	106.3630	0.000	1	107.3003	2.064	82	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Cu)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Cu<4>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Cu)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	H(C[6,6]C[6,6]2C[6])	107.6933	0.854	6	107.9845	0.722	10	107.3003	2.064	82	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Cu)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Cu<5>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Cu)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	H(C[6,6]C[6,6]2C[6])	108.4213	0.727	4	107.9845	0.722	10	107.3003	2.064	82	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,9|H<1>}	H(C[6,6]C[6,6]2C[6])	109.3580	0.000	1	108.1497	0.314	10	107.3003	2.064	82	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){10|H<1>,1|N<3>,2|C<4>}	H(C[6,6]C[6,6]2C[6])	108.1353	0.387	6	108.1497	0.314	10	107.3003	2.064	82	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	H(C[6,6]C[6,6]2C[6])	107.7445	0.439	2	108.1497	0.314	10	107.3003	2.064	82	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<4>,3|C<4>,9|H<1>}	H(C[6,6]C[6,6]2C[6])	107.8380	0.000	1	108.1497	0.314	10	107.3003	2.064	82	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Hg)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Hg<4>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Hg)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	H(C[6,6]C[6,6]2C[6])	107.3330	0.184	2	107.3330	0.034	2	107.3003	2.064	82	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Li)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Li<4>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Li)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	H(C[6,6]C[6,6]2C[6])	107.0835	1.537	15	107.0835	2.363	15	107.3003	2.064	82	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Ni)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Ni<4>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Ni)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	H(C[6,6]C[6,6]2C[6])	107.7540	0.240	2	107.7540	0.058	2	107.3003	2.064	82	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Pd)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Pd<4>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Pd)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	H(C[6,6]C[6,6]2C[6])	106.8578	1.893	30	106.8578	3.585	30	107.3003	2.064	82	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Rh)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Rh<6>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Rh)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	H(C[6,6]C[6,6]2C[6])	107.2295	0.247	2	107.2295	0.061	2	107.3003	2.064	82	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Zn)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Zn<4>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Zn)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	H(C[6,6]C[6,6]2C[6])	107.5027	0.213	7	107.5027	0.045	7	107.3003	2.064	82	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6a]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6a]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){10|H<1>,1|N<3>,2|C<4>}	H(C[6,6]C[6,6]2C[6])	107.2597	0.408	3	107.2597	0.166	3	107.3003	2.064	82	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:N-4:H-1:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NPdHH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(CH3)(H)	H(C[6,6]C[6,6]2N)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NPdHH)(H){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(CH3)(H){3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2N)	106.9050	0.129	2	106.9050	0.017	2	106.9050	0.017	2	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[5,6]HO)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[5,6]HO)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]2C[6])	106.6310	0.000	1	106.6310	0.000	1	107.1410	0.641	14	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(H){2|C<4>,2|N<3>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	108.5100	0.457	3	108.5100	0.209	3	107.1410	0.641	14	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]2C[6])	106.7260	0.000	1	106.7710	0.004	2	107.1410	0.641	14	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	106.8160	0.000	1	106.7710	0.004	2	107.1410	0.641	14	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]2C[6])	107.1890	0.000	1	106.8920	0.077	6	107.1410	0.641	14	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,3|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]2C[6])	106.9633	0.265	3	106.8920	0.077	6	107.1410	0.641	14	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]2C[6])	106.6365	0.114	2	106.8920	0.077	6	107.1410	0.641	14	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CO)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,3|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CO)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]2C[6])	106.6470	0.000	1	106.6470	0.000	1	107.1410	0.641	14	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	106.2720	0.000	1	106.2720	0.000	1	107.1410	0.641	14	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.3380	0.000	1	106.3380	0.000	1	106.9205	0.679	2	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5030	0.000	1	107.5030	0.000	1	106.9205	0.679	2	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){1|C<3>,4|C<4>,4|O<2>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1820	0.000	1	107.1820	0.000	1	107.1820	0.000	1	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.0455	0.449	2	108.8997	0.100	4	108.5982	0.529	5	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,6|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.7540	0.110	2	108.8997	0.100	4	108.5982	0.529	5	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HO)2(H)	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HO)2(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.3920	0.000	1	107.3920	0.000	1	108.5982	0.529	5	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.8950	0.000	1	105.8950	0.000	1	106.5739	0.610	14	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6,6]CO)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]N[6,6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6,6]CO)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]N[6,6]HH)(H){1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.6440	0.567	2	106.6440	0.322	2	106.5739	0.610	14	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.5760	0.000	1	106.1910	0.067	8	106.5739	0.610	14	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.1192	0.271	5	106.1910	0.067	8	106.5739	0.610	14	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.1720	0.000	1	106.1910	0.067	8	106.5739	0.610	14	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.1840	0.000	1	106.1910	0.067	8	106.5739	0.610	14	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.6460	0.000	1	108.6460	0.000	1	106.5739	0.610	14	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(H)	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4640	0.000	1	107.3390	0.031	2	106.5739	0.610	14	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(H)	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2140	0.000	1	107.3390	0.031	2	106.5739	0.610	14	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CH)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[5a,6]N[6]H)(C[6,6]C[6]2H)(CCHH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]CH)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H){1|C<3>,2|N<3>,3|H<1>}	C[6,6](C[6,6]N[5a,6]N[6]H)(C[6,6]C[6]2H)(CCHH)(H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9355	0.071	2	107.9355	0.005	2	108.1598	0.128	4	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CH)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(CCHH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]CH)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|N<3>,3|H<1>}	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(CCHH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3840	0.421	2	108.3840	0.178	2	108.1598	0.128	4	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){1|C<3>,2|H<1>,4|C<4>,6|O<2>}	H(C[6,6]C[6,6]C[6]2)	107.2660	0.192	2	107.2660	0.037	2	107.5084	1.030	20	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1250	0.000	1	108.1250	0.000	1	107.5084	1.030	20	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){2|O<2>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6080	0.000	1	107.6080	0.000	1	107.5084	1.030	20	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|N<3>,2|O<2>,5|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3490	0.000	1	107.3010	0.005	2	107.5084	1.030	20	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2530	0.000	1	107.3010	0.005	2	107.5084	1.030	20	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9310	0.000	1	108.2083	0.026	6	107.5084	1.030	20	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2490	0.000	1	108.2083	0.026	6	107.5084	1.030	20	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1790	0.065	2	108.2083	0.026	6	107.5084	1.030	20	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3560	0.001	2	108.2083	0.026	6	107.5084	1.030	20	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1040	0.079	2	108.1040	0.006	2	107.5084	1.030	20	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]CH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]CH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3180	0.000	1	108.3180	0.000	1	107.5084	1.030	20	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,9|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.0890	1.836	2	106.3050	1.816	5	107.5084	1.030	20	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){4|C<4>,9|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4490	1.367	3	106.3050	1.816	5	107.5084	1.030	20	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[5,6]HO)(H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[5,6]HO)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5310	0.000	1	108.5310	0.000	1	107.8369	0.404	14	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5380	0.000	1	107.4660	0.010	2	107.8369	0.404	14	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3940	0.000	1	107.4660	0.010	2	107.8369	0.404	14	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9270	0.000	1	106.9270	0.000	1	107.8369	0.404	14	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1790	0.000	1	108.0045	0.426	6	107.8369	0.404	14	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,3|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8947	0.563	3	108.0045	0.426	6	107.8369	0.404	14	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5820	0.335	2	108.0045	0.426	6	107.8369	0.404	14	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CO)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CO)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,3|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8550	0.000	1	106.8550	0.000	1	107.8369	0.404	14	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(H){2|C<4>,2|N<3>,4|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1480	0.230	3	108.1480	0.053	3	107.8369	0.404	14	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]O[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,2|O<2>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]O[6]HH)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4780	0.372	3	108.4780	0.139	3	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]O[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]CC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]O[6]HH)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,2|O<2>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1570	0.082	3	108.1570	0.007	3	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6,6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6,6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3730	0.000	1	108.1610	0.090	2	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6,6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6,6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9490	0.000	1	108.1610	0.090	2	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5830	0.000	1	107.8340	0.126	2	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0850	0.000	1	107.8340	0.126	2	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5290	0.117	2	107.4886	0.034	5	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|N<4>,1|O<2>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2050	0.000	1	107.4886	0.034	5	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,1|N<4>,1|O<2>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5900	0.137	2	107.4886	0.034	5	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HS)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|S<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HS)(H){2|C<4>,2|O<2>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1900	0.000	1	108.1900	0.000	1	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0650	0.000	1	107.4355	0.275	2	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8060	0.000	1	107.4355	0.275	2	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HS)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HS)(H){2|C<4>,2|O<2>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|S<2>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9280	0.000	1	106.9280	0.000	1	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1150	0.000	1	108.1150	0.000	1	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.1350	0.000	1	106.1350	0.000	1	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9070	0.065	2	107.9070	0.004	2	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.0450	0.000	1	106.0450	0.000	1	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<2>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.8000	0.000	1	108.8000	0.000	1	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2705	0.057	2	106.7524	0.457	5	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1800	0.000	1	106.7524	0.457	5	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.0205	0.187	2	106.7524	0.457	5	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]O[6]CC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]O[6]CC)(H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.3130	0.000	1	108.3130	0.000	1	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]HH)(H){3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2720	0.335	2	106.7375	0.419	4	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.2030	0.045	2	106.7375	0.419	4	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.1500	0.000	1	107.1500	0.000	1	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]CH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]CH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2100	0.000	1	108.2100	0.000	1	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.9050	0.000	1	108.9050	0.000	1	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8070	0.000	1	107.8070	0.000	1	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H){2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0920	0.000	1	107.0920	0.000	1	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9820	0.000	1	106.9820	0.000	1	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6925	0.103	2	107.5744	0.566	5	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2270	0.000	1	107.5744	0.566	5	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6300	1.448	2	107.5744	0.566	5	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]HH)(H){3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6110	0.499	2	107.7912	0.128	4	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]HH)(H){3|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9715	0.070	2	107.7912	0.128	4	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]CH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]CH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2110	0.000	1	108.2110	0.000	1	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H){2|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6820	0.000	1	106.6820	0.000	1	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3400	0.000	1	106.7828	3.309	18	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7523	0.555	3	106.7828	3.309	18	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9350	0.000	1	106.7828	3.309	18	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6790	0.398	3	106.7828	3.309	18	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5945	0.408	2	106.7828	3.309	18	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1940	0.187	2	106.7828	3.309	18	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){2|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.6575	1.658	6	106.7828	3.309	18	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]O[6]CH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]O[6]CH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.6290	0.000	1	108.6290	0.000	1	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3470	0.062	2	108.0422	1.593	5	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|N<4>,1|O<2>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.7340	0.000	1	108.0422	1.593	5	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,1|N<4>,1|O<2>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.3915	0.217	2	108.0422	1.593	5	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6460	0.000	1	107.2520	0.310	2	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8580	0.000	1	107.2520	0.310	2	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]O[6]CC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]O[6]CC)(H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3930	0.000	1	107.3930	0.000	1	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]O[6]CH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]O[6]CH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5960	0.000	1	108.5960	0.000	1	107.4345	1.335	80	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(N[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(N[6]C[6]HH)(H){2|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4905	0.421	2	106.4905	0.177	2	106.6767	0.192	3	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H){2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0490	0.000	1	107.0490	0.000	1	106.6767	0.192	3	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:In[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]In[6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(In[6]O[6]Br2)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]In[6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|Br<1>,1|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(In[6]O[6]Br2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.7910	0.000	1	106.7910	0.000	1	106.7910	0.000	1	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6]BH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|B<4>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6]BH)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6940	0.426	2	106.6940	0.181	2	107.3980	0.722	4	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6]HH)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1020	0.057	2	108.1020	0.003	2	107.3980	0.722	4	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]N[6,6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]N[6,6]HH)(H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8270	0.000	1	107.8270	0.000	1	108.0468	0.195	4	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6]C[5]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6]C[5]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.7080	0.000	1	108.7080	0.000	1	108.0468	0.195	4	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6,6](C[6]B[6a]B[5]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){2|B<3>,2|C<4>,6|H<1>}	C[6,6](C[6]B[6a]B[5]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<4>,2|N<3>,2|O<2>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8000	0.000	1	107.8000	0.000	1	108.0468	0.195	4	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6,6](C[6]C[6a]O[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6]C[6a]O[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8520	0.000	1	107.8520	0.000	1	108.0468	0.195	4	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6,6](C[6]C[6a]O[6]H)2(C[6,6]C[6]2H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){2|C<3>,2|O<2>,6|H<1>}	C[6,6](C[6]C[6a]O[6]H)2(C[6,6]C[6]2H)(H){2|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0500	0.274	2	107.0500	0.075	2	107.0500	0.075	2	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(N[6]C[6]CH)(H)	C[6,6](C[5,6]C[5,6a]C[5,6]O)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(N[6]C[6]CH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6a]C[5,6]O)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	110.3980	0.000	1	110.3980	0.000	1	110.3980	0.000	1	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6]N[6]H)(CH3)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6]N[6]H)(CH3)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	110.1440	0.000	1	110.1440	0.000	1	110.1440	0.000	1	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(N[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(N[6]C[6]HH)(H){2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.4565	0.506	2	107.4565	0.256	2	107.7290	0.351	3	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H){2|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.2740	0.000	1	108.2740	0.000	1	107.7290	0.351	3	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:In[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(In[6]O[6]Br2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]In[6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]In[6]C[6])	C[6,6](C[6,6]C[6]2H)(In[6]O[6]Br2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]In[6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|Br<1>,1|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]In[6]C[6])	107.2060	0.000	1	107.2060	0.000	1	107.2060	0.000	1	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2C)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,9|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	106.3940	0.000	1	106.3940	0.000	1	106.3940	0.000	1	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Cu)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Cu)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Cu<4>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	106.9202	0.228	6	107.2877	0.765	10	107.1737	1.416	82	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Cu)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Cu)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Cu<5>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.8390	1.238	4	107.2877	0.765	10	107.1737	1.416	82	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]CH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<4>,3|C<4>,9|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]CH)(H){5|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	105.6460	0.000	1	105.6460	0.000	1	107.1737	1.416	82	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){10|H<1>,1|N<3>,2|C<4>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){4|H<1>,5|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.5542	0.372	6	107.5872	0.130	10	107.1737	1.416	82	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){5|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.7015	0.643	2	107.5872	0.130	10	107.1737	1.416	82	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,9|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.7010	0.000	1	107.5872	0.130	10	107.1737	1.416	82	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<4>,3|C<4>,9|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){5|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.4430	0.000	1	107.5872	0.130	10	107.1737	1.416	82	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6a]HH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){10|H<1>,1|N<3>,2|C<4>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6a]HH)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.5713	0.118	3	107.5713	0.014	3	107.1737	1.416	82	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Hg)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Hg)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Hg<4>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	106.8395	0.750	2	106.8395	0.563	2	107.1737	1.416	82	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Li)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Li)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Li<4>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	106.8815	1.191	15	106.8815	1.419	15	107.1737	1.416	82	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Ni)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Ni)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Ni<4>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	106.5440	0.206	2	106.5440	0.043	2	107.1737	1.416	82	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Pd)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Pd)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Pd<4>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.3260	1.631	30	107.3260	2.661	30	107.1737	1.416	82	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Rh)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Rh)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Rh<6>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	106.8180	0.264	2	106.8180	0.070	2	107.1737	1.416	82	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Zn)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Zn)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Zn<4>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	106.8189	0.133	7	106.8189	0.018	7	107.1737	1.416	82	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6]BH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6]BH)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|B<4>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	106.6750	0.000	1	106.6750	0.000	1	107.7727	0.904	3	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6]HH)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.3215	0.025	2	108.3215	0.001	2	107.7727	0.904	3	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6]CuC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6]CuC)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6]CuC)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6]CuC)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.7010	0.000	1	108.7010	0.000	1	109.1648	0.210	20	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6]CuH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6]CuH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6]CuH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6]CuH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.3842	0.301	14	109.3842	0.091	14	109.1648	0.210	20	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6]PdC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6]PdC)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6]PdC)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6]PdC)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.4872	0.169	4	108.4872	0.029	4	109.1648	0.210	20	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6]PdH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6]PdH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6]PdH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6]PdH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.2670	0.000	1	109.2670	0.000	1	109.1648	0.210	20	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]B[6a]B[5]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]B[6a]B[5]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<4>,2|N<3>,2|O<2>,8|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){2|B<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.7950	0.000	1	106.7950	0.000	1	108.0842	4.582	4	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[5]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.2500	0.000	1	106.2500	0.000	1	108.0842	4.582	4	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]N[6,6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]N[6,6]HH)(H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2600	0.000	1	108.2600	0.000	1	108.0842	4.582	4	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]O[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]O[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	111.0320	0.000	1	111.0320	0.000	1	108.0842	4.582	4	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2H)(C[6]N[6]HH)(H)	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2H)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|N<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3700	0.000	1	107.3700	0.000	1	106.7892	1.309	10	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2H)(C[6]N[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|N<4>,5|H<1>}	C[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2H)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0270	0.000	1	107.0270	0.000	1	106.7892	1.309	10	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.7255	0.548	4	106.6869	1.614	8	106.7892	1.309	10	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6483	1.861	4	106.6869	1.614	8	106.7892	1.309	10	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]O[6]H)2(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]O[6]H)2(C[6,6]C[6]2H)(H){2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){2|C<3>,2|O<2>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9150	0.505	2	107.9150	0.255	2	107.9150	0.255	2	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	N[5,5]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[4,6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)	C[6,6](C[6,6]C[6,6]N[5,5]H)(C[4,6,6]C[4,6]2H)(CH3)(H)	H(C[6,6]C[6,6]2N[5,5])	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H){2|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]N[5,5]H)(C[4,6,6]C[4,6]2H)(CH3)(H){1|B<4>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2N[5,5])	106.3807	0.105	3	106.3377	0.015	4	106.3377	0.015	4	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	N[5,5]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[4,6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)	C[6,6](C[6,6]C[6,6]N[5,5]H)(C[4,6,6]C[4,6]2H)(CH3)(H)	H(C[6,6]C[6,6]2N[5,5])	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H){2|C<4>,2|O<2>,3|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]N[5,5]H)(C[4,6,6]C[4,6]2H)(CH3)(H){1|B<4>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2N[5,5])	106.2090	0.000	1	106.3377	0.015	4	106.3377	0.015	4	107.3396	1.896	1958	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[5,6]C[6]O)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[3,6]C[6]H)(C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)	H(C[6,6]C[3,6]C[6,6]C[6])	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[5,6]C[6]O)(C[6]C[6]HO)(H){2|C<3>,3|H<1>,6|C<4>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH){1|C<3>,1|O<1>,2|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[3,6]C[6,6]C[6])	106.5270	0.000	1	106.5270	0.000	1	106.5270	0.000	1	105.8922	2.340	51	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CO)(H)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[3x6]C[6,6]H)(CCHH)(OC)	H(C[6,6]C[3x6]C[6,6]2)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CO)(H){2|C<3>,2|C<4>,2|H<1>,4|O<2>}	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[3x6]C[6,6]H)(CCHH)(OC){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]2)	105.7810	0.287	2	105.7810	0.082	2	105.7810	0.082	2	105.8922	2.340	51	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(OH)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H){3|O<2>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(OH){1|C<3>,5|H<1>,7|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	109.7820	0.000	1	109.7820	0.000	1	109.7820	0.000	1	105.8922	2.340	51	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(OH)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(H){1|O<2>,6|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(OH){1|O<2>,5|H<1>,7|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.9840	0.000	1	105.9840	0.000	1	105.9840	0.000	1	105.8922	2.340	51	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH){2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	105.4890	0.000	1	105.4890	0.000	1	105.4890	0.000	1	105.8922	2.340	51	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(OH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H){2|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(OH){1|O<1>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	107.1580	0.000	1	107.1580	0.000	1	106.2606	2.921	5	105.8922	2.340	51	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(OH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,3|O<2>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(OH){1|C<3>,5|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	103.3720	0.000	1	103.3720	0.000	1	106.2606	2.921	5	105.8922	2.340	51	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){1|C<3>,2|O<2>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	106.0250	0.000	1	106.0250	0.000	1	106.2606	2.921	5	105.8922	2.340	51	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]O)2(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]O)2(C[6]C[6,6]HH)(H){3|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	107.3940	0.000	1	107.3940	0.000	1	106.2606	2.921	5	105.8922	2.340	51	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]O)2(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(OH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]O)2(C[6]C[6,6]HH)(H){3|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(OH){1|O<2>,2|O<1>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	107.3540	0.000	1	107.3540	0.000	1	106.2606	2.921	5	105.8922	2.340	51	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O[6])(C[6,6]C[6]2C)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CN)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6]2O[6])(C[6,6]C[6]2C)(C[6]C[6]HO)(H){1|C<3>,1|N<2>,2|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CN){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.0720	0.000	1	106.0720	0.000	1	106.0720	0.000	1	105.8922	2.340	51	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){3|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	107.5040	0.000	1	107.5040	0.000	1	104.5778	3.894	4	105.8922	2.340	51	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2O)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]CO)(OH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2O)(C[6]C[6]CH)(H){1|O<2>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]CO)(OH){1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	103.6023	0.363	3	103.6023	0.132	3	104.5778	3.894	4	105.8922	2.340	51	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){2|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	106.2350	0.000	1	106.2350	0.000	1	106.2350	0.000	1	105.8922	2.340	51	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(C[6,6]C[6]2O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(OH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(C[6,6]C[6]2O)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	105.0050	0.000	1	105.0050	0.000	1	105.0050	0.000	1	105.8922	2.340	51	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2H)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2H)(OH){1|C<3>,1|N<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.7060	0.000	1	105.7060	0.000	1	105.7060	0.000	1	105.8922	2.340	51	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCHH)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCHH)(OH){1|C<4>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5590	0.000	1	107.2903	0.055	3	107.2302	0.035	5	105.8922	2.340	51	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCHH)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCHH)(OH){3|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1560	0.044	2	107.2903	0.055	3	107.2302	0.035	5	105.8922	2.340	51	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CO)(C[6]N[6]HH)(C[6]S[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(CH3)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]CO)(C[6]N[6]HH)(C[6]S[6]HH)(H){1|H<1>,2|O<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)2(CH3)(OH){1|N<3>,1|S<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1400	0.041	2	107.1400	0.002	2	107.2302	0.035	5	105.8922	2.340	51	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){2|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8740	0.000	1	106.8740	0.000	1	107.3380	0.311	3	105.8922	2.340	51	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6,6]C[6]3)(C[6]C[6]HH)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6,6]C[6]3)(C[6]C[6]HH)(OH){10|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.9570	0.000	1	107.9570	0.000	1	107.3380	0.311	3	105.8922	2.340	51	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){1|C<3>,2|O<2>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1830	0.000	1	107.1830	0.000	1	107.3380	0.311	3	105.8922	2.340	51	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CN)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,8|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CN){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4820	0.000	1	107.4820	0.000	1	107.4820	0.000	1	105.8922	2.340	51	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|Cl<1>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.3070	0.258	3	105.3070	0.066	3	105.2458	1.858	21	105.8922	2.340	51	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(OH){1|Br<1>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.2965	0.253	4	105.1828	0.137	10	105.2458	1.858	21	105.8922	2.340	51	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(OH){1|Cl<1>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.9870	0.654	3	105.1828	0.137	10	105.2458	1.858	21	105.8922	2.340	51	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(OH){1|I<1>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.2270	0.093	3	105.1828	0.137	10	105.2458	1.858	21	105.8922	2.340	51	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(OH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	102.9725	0.088	2	102.6307	0.354	3	105.2458	1.858	21	105.8922	2.340	51	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HO)(H){5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(OH){1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	101.9470	0.000	1	102.6307	0.354	3	105.2458	1.858	21	105.8922	2.340	51	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4970	0.000	1	106.4970	0.000	1	105.2458	1.858	21	105.8922	2.340	51	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]N[6]CH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]N[6]CH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5720	0.000	1	107.5720	0.000	1	105.2458	1.858	21	105.8922	2.340	51	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8320	0.000	1	106.8320	0.000	1	105.2458	1.858	21	105.8922	2.340	51	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){2|C<4>,2|F<1>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8100	0.348	2	106.8100	0.121	2	105.2458	1.858	21	105.8922	2.340	51	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){1|C<4>,3|C<3>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.8780	0.000	1	104.8780	0.000	1	104.8780	0.000	1	105.8922	2.340	51	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8400	0.000	1	107.8400	0.000	1	107.8400	0.000	1	105.8922	2.340	51	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]HH)2(CCO)	H(C[6,6]C[3,6]C[6,6]C[6])	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H){2|Br<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]HH)2(CCO){5|C<4>,5|H<1>}	H(C[6,6]C[3,6]C[6,6]C[6])	106.9185	0.136	2	107.0390	0.039	4	107.0390	0.039	4	106.3085	1.048	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]HH)2(CCO)	H(C[6,6]C[3,6]C[6,6]C[6])	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H){2|Cl<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]HH)2(CCO){5|C<4>,5|H<1>}	H(C[6,6]C[3,6]C[6,6]C[6])	107.1595	0.199	2	107.0390	0.039	4	107.0390	0.039	4	106.3085	1.048	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]O[6]HH)(C[6]C[6]O)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,3|O<1>,7|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]O[6]HH)(C[6]C[6]O){3|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	106.0910	0.000	1	106.0065	0.014	2	106.0065	0.014	2	106.3085	1.048	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]O[6]HH)(C[6]C[6]O)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HH)(H){2|C<3>,2|O<1>,2|O<2>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]O[6]HH)(C[6]C[6]O){2|C<3>,3|H<1>,5|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	105.9220	0.000	1	106.0065	0.014	2	106.0065	0.014	2	106.3085	1.048	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.0390	0.000	1	105.0390	0.000	1	105.0390	0.000	1	106.3085	1.048	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:N-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]N)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(NOO)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]N)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(NOO){2|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	105.0127	0.213	3	105.0127	0.045	3	105.0127	0.045	3	106.3085	1.048	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6]HH)(CHO)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6]HH)(CHO){1|O<2>,4|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	106.6860	0.000	1	106.6860	0.000	1	106.3614	0.362	8	106.3085	1.048	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CHO)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CHO){1|O<2>,4|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	107.1240	0.000	1	107.1240	0.000	1	106.3614	0.362	8	106.3085	1.048	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(COO)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,2|O<2>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(COO){1|C<3>,3|C<4>,9|H<1>}	H(C[6,6]C[6,6]2C[6])	106.4290	0.041	2	106.4290	0.002	2	106.3614	0.362	8	106.3085	1.048	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CHO)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){3|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CHO){4|C<4>,9|H<1>}	H(C[6,6]C[6,6]2C[6])	107.0710	0.000	1	107.0710	0.000	1	106.3614	0.362	8	106.3085	1.048	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(COO)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|O<1>,2|O<2>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(COO){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	105.8040	0.000	1	105.8040	0.000	1	106.3614	0.362	8	106.3085	1.048	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CHH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CHH){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.8720	0.000	1	105.8720	0.000	1	106.3614	0.362	8	106.3085	1.048	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CCH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CCH){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	105.4760	0.000	1	105.4760	0.000	1	106.3614	0.362	8	106.3085	1.048	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(COO)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(COO){4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.5940	0.066	2	106.5940	0.004	2	106.5260	0.127	6	106.3085	1.048	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(COO)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(COO){1|C<3>,2|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	106.6530	0.000	1	106.4920	0.206	4	106.5260	0.127	6	106.3085	1.048	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(COO)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(COO){1|C<3>,2|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	106.4383	0.540	3	106.4920	0.206	4	106.5260	0.127	6	106.3085	1.048	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:N-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(NOO)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(NOO){1|C<3>,2|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	105.5130	0.000	1	105.5130	0.000	1	105.5130	0.000	1	106.3085	1.048	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[5,6]HS)(H)	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CHO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[5,6]HS)(H){1|O<2>,2|H<1>,3|S<2>,4|C<4>}	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CHO){1|S<2>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.4270	0.000	1	104.4270	0.000	1	104.3880	0.003	2	106.3085	1.048	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(COO){1|O<2>,5|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.3490	0.000	1	104.3490	0.000	1	104.3880	0.003	2	106.3085	1.048	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6]HH)(CHO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6]HH)(CHO){1|O<2>,4|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.1590	0.000	1	106.1590	0.000	1	106.1590	0.000	1	106.3085	1.048	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HN)(H){4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(COO){1|N<3>,2|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.7680	0.000	1	105.7680	0.000	1	105.5230	0.222	3	106.3085	1.048	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(COO){1|C<4>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.8210	0.000	1	105.4005	0.354	2	105.5230	0.222	3	106.3085	1.048	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(COO){2|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9800	0.000	1	105.4005	0.354	2	105.5230	0.222	3	106.3085	1.048	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6a]C[6]2)(C[6]C[6,6a]HH)2(H)	C[6,6](C[6]C[6,6a]CH)(C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6a]C[6a]2)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6a]C[6]2)(C[6]C[6,6a]HH)2(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6](C[6]C[6,6a]CH)(C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6a]C[6a]2){6|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1810	0.000	1	108.1810	0.000	1	108.1810	0.000	1	106.3085	1.048	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(CCO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(CCO){1|C<4>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9035	0.074	4	107.9035	0.005	4	107.9035	0.005	4	106.3085	1.048	36	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,5,6]O[3]H)(C[6,6]C[6,6]C[6]C)(H)	C[6,6](C[6,6]C[3,6,6]C[3,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[3,6,6]C[3,6]C[6,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,5,6]O[3]H)(C[6,6]C[6,6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6,6]C[3,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[3,6,6]C[3,6]C[6,6])	106.8510	0.000	1	106.8510	0.000	1	106.8510	0.000	1	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[3,6,6]C[6,6]C[6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[3,6,6]C[6,6]C[6])	106.7170	0.000	1	106.7170	0.000	1	106.7170	0.000	1	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	H(C[6,6]C[3,6,6]C[6,6]C[6])	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|O<1>,5|C<4>,6|H<1>}	H(C[6,6]C[3,6,6]C[6,6]C[6])	105.7900	0.000	1	105.7900	0.000	1	105.6373	0.146	3	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6]O[6]HH)(CH3)	H(C[6,6]C[3,6,6]C[6,6]C[6])	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,3|C<4>,9|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6]O[6]HH)(CH3){5|C<4>,5|H<1>}	H(C[6,6]C[3,6,6]C[6,6]C[6])	105.2030	0.000	1	105.2030	0.000	1	105.6373	0.146	3	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H)	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[3,6,6]C[6,6]C[6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[3,6,6]C[6,6]C[6])	105.9190	0.000	1	105.9190	0.000	1	105.6373	0.146	3	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6,6]C[3,6,6]C[6,6]C[6])	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[3,6,6]C[6,6]C[6])	106.5050	0.000	1	106.5050	0.000	1	106.8770	0.084	4	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[3,6,6]C[6,6]C[6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[3,6,6]C[6,6]C[6])	107.0010	0.184	3	107.0010	0.034	3	106.8770	0.084	4	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(H)	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6,6]C[3,6]C[5,6]C[6,6])	C[6,6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){2|O<2>,3|C<4>,5|H<1>}	H(C[6,6]C[3,6]C[5,6]C[6,6])	106.4220	0.000	1	106.4220	0.000	1	106.4220	0.000	1	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(CH3)	H(C[6,6]C[3,6]C[6,6]C[6])	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[3,6]C[6,6]C[6])	107.1190	0.000	1	107.1190	0.000	1	107.1190	0.000	1	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[3,6]C[6,6]C[6])	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	H(C[6,6]C[3,6]C[6,6]C[6])	106.5325	0.440	4	106.5325	0.193	4	106.3243	0.222	6	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[3,6]C[6,6]C[6])	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[3,6]C[6,6]C[6])	105.9080	0.112	2	105.9080	0.012	2	106.3243	0.222	6	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[3,6]C[6,6]C[6])	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H){3|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[3,6]C[6,6]C[6])	104.5150	0.000	1	104.5150	0.000	1	104.5150	0.000	1	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]CC)(CH3)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]CC)(CH3)(H){1|Pd<4>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)2{1|C<4>,1|P<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	106.3965	0.043	2	106.4906	0.201	5	106.4906	0.201	5	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]CC)(CH3)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]CC)(CH3)(H){1|Pt<4>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)2{1|C<4>,1|P<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	106.2690	0.536	2	106.4906	0.201	5	106.4906	0.201	5	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]CC)(CH3)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)2	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]CC)(CH3)(H){3|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)2{1|C<4>,1|P<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.1220	0.000	1	106.4906	0.201	5	106.4906	0.201	5	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){10|H<1>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[6,6]C[3x6]C[6,6]C[6])	104.5350	0.000	1	104.6513	0.011	3	104.6513	0.011	3	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,1|C<3>,4|C<4>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	104.7095	0.033	2	104.6513	0.011	3	104.6513	0.011	3	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[4,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[4,6]C[4,6]C[4]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[4,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[4,6]C[6,6]C[6])	C[6,6](C[4,6]C[4,6]C[4]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[4,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[4,6]C[6,6]C[6])	104.8020	0.000	1	104.8020	0.000	1	104.8020	0.000	1	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[4x6]C[6,6]C[6])	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[4x6]C[6,6]C[6])	105.3740	0.000	1	105.3740	0.000	1	105.3740	0.000	1	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[5,3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,3x6]C[6,6]C[6])	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){2|C<3>,3|C<4>,3|O<2>,8|H<1>}	C[6,6](C[6,6]C[5,3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[5,3x6]C[6,6]C[6])	104.8040	0.000	1	104.8040	0.000	1	104.8040	0.000	1	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|O<1>,4|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH){1|O<1>,1|O<2>,2|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	106.2070	0.000	1	106.6620	0.414	2	105.9433	0.458	6	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|O<1>,4|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH){1|O<2>,3|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	107.1170	0.000	1	106.6620	0.414	2	105.9433	0.458	6	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]2)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]2)(C[6]C[6]HO)(H){10|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH){1|C<3>,1|O<1>,2|O<2>,3|H<1>,6|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	105.7845	0.398	2	105.5840	0.108	4	105.9433	0.458	6	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]2)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]2)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,2|O<1>,3|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH){1|O<1>,2|C<3>,2|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	105.3835	0.074	2	105.5840	0.108	4	105.9433	0.458	6	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[3,5]C[5,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[3,5]C[5,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,5|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO){1|O<1>,4|H<1>,7|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	104.9760	0.000	1	104.9760	0.000	1	105.2436	1.497	55	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H){1|O<1>,2|C<3>,3|C<4>,3|O<2>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	103.7180	0.000	1	103.6385	0.013	2	105.2436	1.497	55	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H){1|O<1>,2|C<4>,3|C<3>,3|O<2>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	103.5590	0.000	1	103.6385	0.013	2	105.2436	1.497	55	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,6|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	105.9203	0.283	3	105.9203	0.080	3	105.2436	1.497	55	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(H){1|C<3>,3|H<1>,4|C<4>,5|O<2>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,4|H<1>,6|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	102.6190	0.000	1	102.6190	0.000	1	105.2436	1.497	55	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){5|C<4>,8|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	107.0605	0.107	2	107.1080	0.054	12	105.2436	1.497	55	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){5|C<4>,8|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	107.1175	0.254	10	107.1080	0.054	12	105.2436	1.497	55	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	104.8585	0.094	2	104.8585	0.009	2	105.2436	1.497	55	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,1|C<3>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	104.6790	0.000	1	104.6790	0.000	1	105.2436	1.497	55	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){10|H<1>,1|Br<1>,1|C<3>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	104.2960	0.000	1	104.8280	0.173	27	105.2436	1.497	55	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){10|H<1>,1|C<3>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	104.9000	0.000	1	104.8280	0.173	27	105.2436	1.497	55	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){10|H<1>,1|C<3>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	104.7600	0.000	1	104.8280	0.173	27	105.2436	1.497	55	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){10|H<1>,1|C<3>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	104.4345	0.046	2	104.8280	0.173	27	105.2436	1.497	55	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){10|H<1>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	105.1505	0.293	2	104.8280	0.173	27	105.2436	1.497	55	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,1|C<3>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	105.0435	0.375	13	104.8280	0.173	27	105.2436	1.497	55	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,1|C<3>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	104.5085	0.066	2	104.8280	0.173	27	105.2436	1.497	55	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	104.1190	0.018	2	104.8280	0.173	27	105.2436	1.497	55	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	104.9240	0.000	1	104.8280	0.173	27	105.2436	1.497	55	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	104.5650	0.000	1	104.8280	0.173	27	105.2436	1.497	55	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,2|O<2>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,8|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	104.9210	0.000	1	104.8280	0.173	27	105.2436	1.497	55	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	104.7380	0.000	1	104.7380	0.000	1	105.2436	1.497	55	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){10|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	104.5860	0.000	1	104.5330	0.006	2	105.2436	1.497	55	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	104.4800	0.000	1	104.5330	0.006	2	105.2436	1.497	55	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(CH3)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(CH3){2|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	105.3270	0.000	1	105.3270	0.000	1	105.2436	1.497	55	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	105.0540	0.000	1	103.2920	6.209	2	105.2436	1.497	55	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	101.5300	0.000	1	103.2920	6.209	2	105.2436	1.497	55	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	107.1470	0.000	1	107.1470	0.000	1	107.1470	0.000	1	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|O<1>,4|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(C[6]O[6]HH){2|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	106.5960	0.000	1	106.5960	0.000	1	105.6877	0.661	3	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HH)(H){12|H<1>,1|C<3>,2|C<4>,4|O<2>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH)2{4|H<1>,5|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	105.0270	0.000	1	105.0270	0.000	1	105.6877	0.661	3	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(C[6]O[6]HH)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,3|O<2>,4|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(C[6]O[6]HH){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	105.4400	0.000	1	105.4400	0.000	1	105.6877	0.661	3	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(H)	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.1235	0.151	2	106.1235	0.023	2	106.1235	0.023	2	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){3|C<4>,3|O<2>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CH3){6|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	104.9440	0.000	1	104.9440	0.000	1	104.9440	0.000	1	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,5]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,5]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){5|C<4>,8|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.3610	0.000	1	107.3610	0.000	1	105.8813	2.427	26	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H){2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	101.6030	0.000	1	101.6030	0.000	1	105.8813	2.427	26	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	104.6490	0.000	1	104.9320	0.044	6	105.8813	2.427	26	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	104.9260	0.000	1	104.9320	0.044	6	105.8813	2.427	26	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.0042	0.198	4	104.9320	0.044	6	105.8813	2.427	26	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){5|C<4>,8|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.0296	1.756	10	106.3532	1.797	18	105.8813	2.427	26	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){5|C<4>,8|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.9762	0.117	4	106.3532	1.797	18	105.8813	2.427	26	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|H<1>,8|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){5|C<4>,8|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.5390	0.086	4	106.3532	1.797	18	105.8813	2.427	26	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,3|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	104.8570	0.000	1	104.8570	0.000	1	103.7163	5.894	4	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|O<2>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){5|C<4>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.2570	0.000	1	105.2570	0.000	1	103.7163	5.894	4	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){3|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	104.6570	0.000	1	102.3755	10.410	2	103.7163	5.894	4	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	100.0940	0.000	1	102.3755	10.410	2	103.7163	5.894	4	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[3x6]C[6,6]2H)(C[6]C[5a,6]HH)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[3x6]C[6,6]2H)(C[6]C[5a,6]HH)(H){1|C<3>,1|N<3>,2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	107.2030	0.000	1	107.2030	0.000	1	107.2030	0.000	1	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2C)(C[6]C[6]HH)(H){2|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	106.9280	0.000	1	105.9390	1.956	2	106.5600	2.135	3	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2C)(C[6]C[6]HH)(H){2|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	104.9500	0.000	1	105.9390	1.956	2	106.5600	2.135	3	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2H)(C[6]C[5a,6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2H)(C[6]C[5a,6]HH)(H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	107.8020	0.000	1	107.8020	0.000	1	106.5600	2.135	3	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6,6a]O[6]H)(C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(H)	C[6,6](C[6,6]C[6,6]2H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]3)	C[6,6](C[6,6]C[6,6,6a]O[6]H)(C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(H){3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]2H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]3)	106.0300	0.000	1	106.0300	0.000	1	106.0300	0.000	1	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.4080	0.000	1	104.5630	0.048	2	104.5630	0.048	2	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	104.7180	0.000	1	104.5630	0.048	2	104.5630	0.048	2	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	105.1440	0.000	1	105.4103	0.053	3	105.0005	0.176	10	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	105.5435	0.005	2	105.4103	0.053	3	105.0005	0.176	10	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.2070	0.000	1	104.9355	0.049	6	105.0005	0.176	10	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){2|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	104.9280	0.165	3	104.9355	0.049	6	105.0005	0.176	10	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,3|O<2>,4|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){2|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	105.0190	0.000	1	104.9355	0.049	6	105.0005	0.176	10	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){3|O<2>,5|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.6030	0.000	1	104.9355	0.049	6	105.0005	0.176	10	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|O<1>,5|H<1>,6|C<4>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	104.1610	0.000	1	104.1610	0.000	1	105.0005	0.176	10	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(CH3){1|O<1>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.3000	0.000	1	106.3000	0.000	1	106.3000	0.000	1	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[4x6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[4x6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|Cl<1>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,6|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.0310	0.000	1	104.0310	0.000	1	104.0310	0.000	1	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.0190	0.000	1	102.8025	2.960	2	102.8025	2.960	2	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){3|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	101.5860	0.000	1	102.8025	2.960	2	102.8025	2.960	2	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H){2|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,2|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	103.8870	0.000	1	103.8870	0.000	1	104.5960	0.445	43	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	104.5785	0.009	4	104.5785	0.000	4	104.5960	0.445	43	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.3710	0.000	1	104.6575	0.409	33	104.5960	0.445	43	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	107.2350	0.000	1	104.6575	0.409	33	104.5960	0.445	43	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,6|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.4363	0.251	7	104.6575	0.409	33	104.5960	0.445	43	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,6|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	104.5914	0.402	14	104.6575	0.409	33	104.5960	0.445	43	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.4160	0.000	1	104.6575	0.409	33	104.5960	0.445	43	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	104.4823	0.195	9	104.6575	0.409	33	104.5960	0.445	43	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	104.5480	0.000	1	104.5480	0.000	1	104.5960	0.445	43	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	104.9565	0.088	2	104.2963	1.531	4	104.5960	0.445	43	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	104.8280	0.000	1	104.2963	1.531	4	104.5960	0.445	43	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){6|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	102.4440	0.000	1	104.2963	1.531	4	104.5960	0.445	43	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2O)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2O)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.4570	0.000	1	107.4570	0.000	1	107.4570	0.000	1	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6,6]C[6,6]2C[6])	109.1600	0.000	1	109.1600	0.000	1	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){3|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.6070	0.000	1	104.6070	0.000	1	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|O<1>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	104.1550	0.000	1	104.1550	0.000	1	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6,6]HH)(H){3|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	107.0070	0.000	1	107.0070	0.000	1	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[4x6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[4x6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|Cl<1>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	103.9650	0.000	1	103.9650	0.000	1	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,9|H<1>}	H(C[6,6]C[6,6]2C[6])	106.5590	0.000	1	106.5590	0.000	1	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H){2|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	103.8940	0.000	1	103.8940	0.000	1	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.9570	0.000	1	104.5398	0.115	32	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,5|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.4547	0.304	7	104.5398	0.115	32	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.6098	0.417	14	104.5398	0.115	32	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,5|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.3760	0.000	1	104.5398	0.115	32	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.4689	0.215	9	104.5398	0.115	32	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3){5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.3890	0.462	5	104.3890	0.213	5	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CH3){4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.1800	0.000	1	106.1800	0.000	1	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.4160	0.000	1	104.7635	0.242	2	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.1110	0.000	1	104.7635	0.242	2	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.9070	0.109	3	104.2952	1.505	4	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	102.4600	0.000	1	104.2952	1.505	4	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H){2|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,9|H<1>}	H(C[6,6]C[6,6]2C[6])	106.5720	0.000	1	106.5720	0.000	1	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	105.8967	0.419	3	105.8967	0.176	3	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5a]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5a]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,3|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	105.5090	0.000	1	105.5090	0.000	1	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2Cl)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|Cl<1>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2Cl)(C[6]C[6]HH)(CH3){1|Cl<1>,4|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	106.6820	0.000	1	106.6337	0.003	3	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2Cl)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|Cl<1>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2Cl)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	106.6095	0.057	2	106.6337	0.003	3	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[3,6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[3,6]HH)(CH3){1|N<3>,4|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	105.5560	0.000	1	105.5560	0.000	1	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(CH3){2|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	105.9023	0.238	4	105.9023	0.056	4	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	105.8090	0.000	1	106.2726	0.648	292	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,9|H<1>}	H(C[6,6]C[6,6]2C[6])	106.3390	0.000	1	106.2726	0.648	292	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|O<2>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	106.1700	0.000	1	106.2726	0.648	292	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	106.9410	0.000	1	106.2726	0.648	292	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6,6]C[6,6]2C[6])	105.9550	0.000	1	106.2726	0.648	292	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	105.7720	0.000	1	106.2726	0.648	292	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	105.8253	0.160	7	106.2726	0.648	292	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|N<2>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	106.2445	0.281	2	106.2726	0.648	292	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	106.1180	0.202	6	106.2726	0.648	292	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	105.9155	0.086	2	106.2726	0.648	292	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|N<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,9|H<1>}	H(C[6,6]C[6,6]2C[6])	105.8150	0.000	1	106.2726	0.648	292	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,9|H<1>}	H(C[6,6]C[6,6]2C[6])	106.0840	0.001	2	106.2726	0.648	292	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,9|H<1>}	H(C[6,6]C[6,6]2C[6])	107.0395	1.087	2	106.2726	0.648	292	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6,6]C[6,6]2C[6])	106.3260	0.000	2	106.2726	0.648	292	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,9|H<1>}	H(C[6,6]C[6,6]2C[6])	105.8922	1.011	6	106.2726	0.648	292	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,9|H<1>}	H(C[6,6]C[6,6]2C[6])	106.2695	0.132	4	106.2726	0.648	292	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|N<2>,4|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	106.5520	0.000	1	106.2726	0.648	292	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6,6]C[6,6]2C[6])	106.2183	0.723	38	106.2726	0.648	292	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	105.5890	0.509	2	106.2726	0.648	292	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.0226	0.110	5	106.2726	0.648	292	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|N<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6,6]C[6,6]2C[6])	107.1160	0.000	2	106.2726	0.648	292	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|O<1>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,9|H<1>}	H(C[6,6]C[6,6]2C[6])	110.4660	0.000	1	106.2726	0.648	292	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6,6]C[6,6]2C[6])	106.6239	0.838	94	106.2726	0.648	292	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	105.8180	0.561	3	106.2726	0.648	292	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,9|H<1>}	H(C[6,6]C[6,6]2C[6])	105.8170	1.246	14	106.2726	0.648	292	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	105.7255	0.127	2	106.2726	0.648	292	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|Cl<1>,1|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	106.8645	0.122	2	106.2726	0.648	292	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|Cl<1>,4|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	107.0235	0.347	4	106.2726	0.648	292	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|N<3>,4|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	105.5840	0.000	1	106.2726	0.648	292	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	105.9686	0.262	10	106.2726	0.648	292	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6,6]C[6,6]2C[6])	106.0373	0.556	69	106.2726	0.648	292	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){5|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	105.4960	1.095	3	106.2726	0.648	292	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	105.6820	0.000	1	106.2726	0.648	292	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CHHO)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CHHO){4|C<4>,9|H<1>}	H(C[6,6]C[6,6]2C[6])	106.7335	0.298	2	106.4157	0.347	3	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CHHO)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CHHO){4|C<4>,9|H<1>}	H(C[6,6]C[6,6]2C[6])	105.7800	0.000	1	106.4157	0.347	3	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){4|C<4>,9|H<1>}	H(C[6,6]C[6,6]2C[6])	105.7610	0.000	1	105.7610	0.000	1	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.0640	0.000	1	106.1685	0.022	2	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	106.2730	0.000	1	106.1685	0.022	2	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|N<2>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6,6]C[6,6]2C[6])	106.3110	0.000	1	106.3440	0.013	3	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|N<3>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	106.4730	0.000	1	106.3440	0.013	3	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|N<3>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6,6]C[6,6]2C[6])	106.2480	0.000	1	106.3440	0.013	3	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	106.0315	0.378	2	106.4756	0.146	18	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|N<2>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	106.8770	0.000	1	106.4756	0.146	18	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|Cl<1>,4|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	106.5270	0.048	2	106.4756	0.146	18	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|N<3>,4|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	106.7180	0.000	1	106.4756	0.146	18	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	106.3707	0.113	6	106.4756	0.146	18	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6,6]C[6,6]2C[6])	106.3025	0.211	4	106.4756	0.146	18	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6,6]C[6,6]2C[6])	107.2075	0.517	2	106.4756	0.146	18	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|O<2>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.7060	0.000	1	107.7060	0.000	1	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6]C[5a,6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6]C[5a,6]HH)(CH3){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.2240	0.000	2	106.2240	0.000	2	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|N<3>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	105.9270	0.000	1	105.9270	0.000	1	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3){4|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	106.3690	0.230	5	106.3690	0.053	5	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	107.8045	0.844	2	106.6643	4.256	3	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|O<2>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.3840	0.000	1	106.6643	4.256	3	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CHHO)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){2|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CHHO){1|O<2>,4|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	106.7850	0.000	1	106.7850	0.000	1	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.5350	0.000	1	105.5350	0.000	1	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6,6]CH)(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6,6]CH)(C[6]C[5,6]HH)(H){1|C<3>,3|C<4>,3|H<1>,3|O<2>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.7940	0.000	1	107.7940	0.000	1	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){5|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	106.8560	0.000	1	106.8560	0.000	1	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	106.4730	0.000	1	106.3970	0.071	3	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6,6]C[6,6]2C[6])	106.3590	0.365	2	106.3970	0.071	3	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	106.8770	0.000	1	106.8770	0.000	1	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[5,6]HH)(H){2|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.4600	0.000	1	105.4600	0.000	1	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]CH)(H){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.4690	0.000	1	104.7055	0.112	2	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]CH)(H){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.9420	0.000	1	104.7055	0.112	2	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	103.8740	0.000	1	105.6494	1.358	5	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	105.0830	0.000	1	105.6494	1.358	5	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	106.5705	0.105	2	105.6494	1.358	5	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	106.1490	0.000	1	105.6494	1.358	5	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	105.6635	0.030	2	104.6851	2.252	16	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.2410	0.000	1	104.6851	2.252	16	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.4080	0.000	1	104.6851	2.252	16	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	104.3693	0.224	3	104.6851	2.252	16	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.8080	0.000	1	104.6851	2.252	16	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.6430	0.000	1	104.6851	2.252	16	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	105.2020	0.325	2	104.6851	2.252	16	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	101.4920	0.454	2	104.6851	2.252	16	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|O<1>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	106.8020	0.000	2	104.6851	2.252	16	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.4340	0.000	1	104.6851	2.252	16	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,3|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	104.9160	0.000	1	104.9160	0.000	1	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.1220	0.092	2	105.1220	0.008	2	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CH3){4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	104.4251	0.547	9	104.3735	0.188	15	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CH3){4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	104.2964	0.210	5	104.3735	0.188	15	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CH3){4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	104.2940	0.000	1	104.3735	0.188	15	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.8650	0.000	1	103.1377	2.787	4	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	101.7405	0.578	2	103.1377	2.787	4	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.2050	0.000	1	103.1377	2.787	4	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){1|C<3>,2|H<1>,4|C<4>,6|O<2>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3){1|O<2>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.2690	0.124	2	107.2690	0.015	2	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[4,6]C[6]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[6,6](C[6,6]C[4,6]C[6]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.9910	0.000	1	106.9910	0.000	1	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<1>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	106.5840	0.000	1	106.5840	0.000	1	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	104.4220	0.000	1	105.8902	0.860	6	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	105.0330	0.000	1	105.8902	0.860	6	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|Si<4>,1|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.3710	0.136	2	105.8902	0.860	6	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	106.5720	0.000	2	105.8902	0.860	6	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	106.4110	0.000	1	106.4110	0.000	1	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	104.5230	0.000	1	104.5230	0.000	1	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2O)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.6645	0.145	2	105.6645	0.021	2	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]N[6]C)(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]N[6]C)(C[6]N[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|N<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	105.4220	0.000	1	105.4220	0.000	1	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(H){5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.7190	0.000	1	104.7190	0.000	1	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|Cl<1>,1|O<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	105.3820	0.000	1	105.3311	0.067	9	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.3768	0.302	6	105.3311	0.067	9	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.1685	0.108	2	105.3311	0.067	9	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	103.9518	1.467	4	104.0607	1.319	6	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.2785	0.019	2	104.0607	1.319	6	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3){1|O<2>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.3100	0.000	1	104.3100	0.000	1	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HO)(H){1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){2|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	103.4990	0.000	1	103.4990	0.000	1	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[5,6]HH)(H){2|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	104.6755	0.269	4	104.6755	0.072	4	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.0700	0.000	1	104.7544	0.079	5	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[5,6]HH)(H){2|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,5|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.6755	0.253	4	104.7544	0.079	5	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6,6]HH)(H){4|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.0765	0.173	2	105.0765	0.030	2	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6,6]HH)(H){4|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.0700	0.000	1	105.0395	0.002	2	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6,6]HH)(H){4|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	105.0090	0.000	1	105.0395	0.002	2	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.7645	0.206	2	104.8095	0.017	4	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.8545	0.008	2	104.8095	0.017	4	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	105.0040	0.000	1	104.8366	0.139	72	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.9904	0.391	17	104.8366	0.139	72	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	105.2035	0.282	2	104.8366	0.139	72	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.7657	0.329	3	104.8366	0.139	72	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	105.8160	0.000	1	104.8366	0.139	72	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.4690	0.000	1	104.8366	0.139	72	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	104.5390	0.068	3	104.8366	0.139	72	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|O<1>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	104.4653	0.213	3	104.8366	0.139	72	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	105.0200	0.000	1	104.8366	0.139	72	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.8750	0.292	7	104.8366	0.139	72	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	104.7690	0.000	1	104.8366	0.139	72	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	104.6250	0.000	1	104.8366	0.139	72	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	104.7695	0.357	31	104.8366	0.139	72	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(CH3){2|O<2>,4|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.6390	0.000	1	104.6390	0.000	1	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.7740	0.133	2	104.6619	0.878	76	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.7635	0.069	2	104.6619	0.878	76	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.3110	0.170	2	104.6619	0.878	76	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.0927	0.368	3	104.6619	0.878	76	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.8975	0.280	11	104.6619	0.878	76	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.6450	0.000	1	104.6619	0.878	76	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	104.9360	0.000	1	104.6619	0.878	76	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.8764	0.341	5	104.6619	0.878	76	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.6120	0.000	1	104.6619	0.878	76	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.6050	0.000	1	104.6619	0.878	76	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|O<1>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.4347	0.192	3	104.6619	0.878	76	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.1080	0.000	1	104.6619	0.878	76	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	101.8209	2.830	4	104.6619	0.878	76	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.7385	0.080	2	104.6619	0.878	76	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.0440	0.000	1	104.6619	0.878	76	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.1963	0.369	3	104.6619	0.878	76	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.0670	0.000	1	104.6619	0.878	76	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	104.7420	0.000	1	104.6619	0.878	76	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.4250	0.034	2	104.6619	0.878	76	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.7469	0.130	7	104.6619	0.878	76	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.7538	0.364	22	104.6619	0.878	76	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.2930	0.000	1	105.0756	0.650	7	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.2732	1.025	4	105.0756	0.650	7	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.5715	0.185	2	105.0756	0.650	7	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HO)(CH3){1|O<2>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	105.0940	0.000	1	105.0940	0.000	1	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	104.6880	0.000	1	105.4616	0.371	5	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	105.8280	0.433	3	105.4616	0.371	5	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	105.1360	0.000	1	105.4616	0.371	5	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	104.9790	0.000	1	105.1784	0.141	5	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	104.7150	0.000	1	105.1784	0.141	5	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	105.5445	0.193	2	105.1784	0.141	5	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.1090	0.000	1	105.1784	0.141	5	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	101.2980	0.000	1	101.2980	0.000	1	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	104.9090	0.290	2	104.9090	0.084	2	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<2>,2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	101.5860	0.000	1	104.1807	0.672	13	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.8350	0.000	1	104.1807	0.672	13	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.3084	0.171	5	104.1807	0.672	13	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	104.0840	0.000	1	104.1807	0.672	13	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.5615	0.186	4	104.1807	0.672	13	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	104.0560	0.000	1	104.1807	0.672	13	105.5566	1.292	682	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3){2|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	105.7131	0.265	28	105.7131	0.070	28	105.6356	0.262	34	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(C[6,6]C[6]2H)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(C[6,6]C[6]2H)(CH3){2|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	105.8300	0.000	1	105.8300	0.000	1	105.6356	0.262	34	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6,6]C[6]2H)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6,6]C[6]2H)(CH3){2|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	107.2300	0.000	1	107.2300	0.000	1	105.6356	0.262	34	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3){2|C<3>,4|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.5220	0.095	2	104.6460	0.034	4	105.6356	0.262	34	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3){1|N<2>,2|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	104.8950	0.000	1	104.6460	0.034	4	105.6356	0.262	34	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3){3|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	104.6450	0.000	1	104.6460	0.034	4	105.6356	0.262	34	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){3|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	101.6010	0.000	1	101.6010	0.000	1	105.1904	1.948	48	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[5,6]HH)(H){2|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HO)(CH3){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.3790	0.000	1	105.3790	0.000	1	105.1904	1.948	48	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	103.7150	0.000	1	103.7150	0.000	1	105.1904	1.948	48	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]CH)(H){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	104.6150	0.000	1	106.6050	7.920	2	105.1904	1.948	48	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]CH)(H){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	108.5950	0.000	1	106.6050	7.920	2	105.1904	1.948	48	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	104.2290	0.000	1	104.2290	0.000	1	105.1904	1.948	48	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	104.4304	0.525	9	104.5380	0.269	21	105.1904	1.948	48	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	104.6060	0.000	1	104.5380	0.269	21	105.1904	1.948	48	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|N<2>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	104.9730	0.000	1	104.5380	0.269	21	105.1904	1.948	48	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	104.3144	0.223	5	104.5380	0.269	21	105.1904	1.948	48	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	104.9840	0.967	2	104.5380	0.269	21	105.1904	1.948	48	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|O<2>,3|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]2C[6])	105.5440	0.000	1	104.5380	0.269	21	105.1904	1.948	48	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	104.2780	0.000	1	104.5380	0.269	21	105.1904	1.948	48	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	104.4830	0.000	1	104.5380	0.269	21	105.1904	1.948	48	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	104.4990	0.281	2	104.8433	0.395	3	105.1904	1.948	48	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	105.5320	0.000	1	104.8433	0.395	3	105.1904	1.948	48	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CCHH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	104.1920	0.000	1	104.1920	0.000	1	105.1904	1.948	48	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){1|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	105.7413	0.276	3	105.3837	0.694	6	105.1904	1.948	48	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	103.9010	0.000	1	105.3837	0.694	6	105.1904	1.948	48	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.0170	0.000	1	105.3837	0.694	6	105.1904	1.948	48	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.1600	0.000	1	105.3837	0.694	6	105.1904	1.948	48	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	106.7650	0.000	1	106.7005	0.008	2	105.1904	1.948	48	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	106.6360	0.000	1	106.7005	0.008	2	105.1904	1.948	48	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	107.0190	0.000	1	107.0190	0.000	1	105.1904	1.948	48	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	106.7990	0.000	1	106.6610	0.038	2	105.1904	1.948	48	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.5230	0.000	1	106.6610	0.038	2	105.1904	1.948	48	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|F<1>,1|N<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(CH3){3|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	106.5840	0.000	1	106.5840	0.000	1	105.1904	1.948	48	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(CH3){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.5815	0.878	2	106.5480	0.388	3	105.1904	1.948	48	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(CH3){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.4810	0.000	1	106.5480	0.388	3	105.1904	1.948	48	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CHHO)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HO)(H){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CHHO){1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.7560	0.000	1	104.7560	0.000	1	105.1904	1.948	48	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,3|O<2>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	109.9580	0.000	1	109.9580	0.000	1	105.1904	1.948	48	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[5,6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.6040	0.000	1	106.6040	0.000	1	106.6040	0.000	1	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.1970	0.000	1	106.7678	0.088	4	106.6507	0.386	10	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,3|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.6240	0.000	1	106.7678	0.088	4	106.6507	0.386	10	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.6250	0.133	2	106.7678	0.088	4	106.6507	0.386	10	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.7400	0.000	1	106.8856	0.045	5	106.6507	0.386	10	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	106.7930	0.000	1	106.8856	0.045	5	106.6507	0.386	10	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,3|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.2540	0.000	1	106.8856	0.045	5	106.6507	0.386	10	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,3|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.8205	0.086	2	106.8856	0.045	5	106.6507	0.386	10	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(C[6,6]C[6]2O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(C[6,6]C[6]2O)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.0080	0.000	1	105.0080	0.000	1	106.6507	0.386	10	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.8890	0.000	1	104.8890	0.000	1	104.8890	0.000	1	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.4850	0.000	1	104.9090	0.360	2	105.6510	0.828	5	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.3330	0.000	1	104.9090	0.360	2	105.6510	0.828	5	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.2830	0.000	1	105.2830	0.000	1	105.6510	0.828	5	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.5720	0.000	1	106.5720	0.000	1	105.6510	0.828	5	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)2(H){2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.5820	0.000	1	106.5820	0.000	1	105.6510	0.828	5	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6]HH)(H)	C[6,6](C[3,6]C[3,5,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6]HH)(H){3|C<4>,3|O<2>,4|H<1>}	C[6,6](C[3,6]C[3,5,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4170	0.000	1	107.4170	0.000	1	105.3234	2.041	7	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5]C[6]C)(C[6]C[6]HH)(H){3|O<2>,5|C<4>,5|H<1>}	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO){1|O<2>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9730	0.000	1	105.2840	0.093	3	105.3234	2.041	7	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5]C[6]C)(C[6]C[6]HH)(H){3|O<2>,5|C<4>,5|H<1>}	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO){4|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.2950	0.000	1	105.2840	0.093	3	105.3234	2.041	7	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5]C[6]C)(C[6]C[6]HH)(H){4|H<1>,4|O<2>,5|C<4>}	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO){1|O<2>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.5840	0.000	1	105.2840	0.093	3	105.3234	2.041	7	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.7160	0.000	1	104.6650	3.184	3	105.3234	2.041	7	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	103.6395	0.241	2	104.6650	3.184	3	105.3234	2.041	7	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.3180	0.000	1	104.5674	0.228	18	104.6115	0.677	28	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.5590	0.000	1	104.5674	0.228	18	104.6115	0.677	28	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.3880	0.000	1	104.5674	0.228	18	104.6115	0.677	28	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.2318	0.438	6	104.5674	0.228	18	104.6115	0.677	28	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9524	0.285	8	104.5674	0.228	18	104.6115	0.677	28	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	103.9380	0.000	1	104.5674	0.228	18	104.6115	0.677	28	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.3710	0.000	1	104.5517	0.034	3	104.6115	0.677	28	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.6420	0.136	2	104.5517	0.034	3	104.6115	0.677	28	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.1055	0.718	2	104.1295	0.178	4	104.6115	0.677	28	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.1535	0.134	2	104.1295	0.178	4	104.6115	0.677	28	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.0930	0.000	1	104.2920	0.079	2	104.6115	0.677	28	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.4910	0.000	1	104.2920	0.079	2	104.6115	0.677	28	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,3|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1510	0.000	1	108.1510	0.000	1	104.6115	0.677	28	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]CC)(H)	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]CC)(H){3|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|O<2>,3|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9070	0.000	1	104.9070	0.000	1	104.6170	0.168	2	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,4|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.3270	0.000	1	104.3270	0.000	1	104.6170	0.168	2	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[3,6]HH)(C[6]C[6]CH)(H)	C[6,6](C[5,6,6]C[3,5,6,6]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[3,6]HH)(C[6]C[6]CH)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[3,5,6,6]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9750	0.264	3	106.9750	0.070	3	106.1672	2.240	6	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,6|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.2695	0.132	2	104.2695	0.017	2	106.1672	2.240	6	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,5|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5390	0.000	1	107.5390	0.000	1	106.1672	2.240	6	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3){6|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	103.9260	0.000	1	103.9260	0.000	1	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[4,5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[5,6]C[4,5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.5807	0.124	3	104.5807	0.015	3	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,5]C[5,6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,5]C[5,6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.1740	0.000	1	104.1740	0.000	1	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.4235	0.245	2	105.4935	1.553	4	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|N<3>,2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.5635	0.144	2	105.4935	1.553	4	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|Br<1>,2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9165	0.094	2	104.5191	0.298	9	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	103.4740	0.000	1	104.5191	0.298	9	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.8240	0.000	1	104.5191	0.298	9	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.2400	0.129	2	104.5191	0.298	9	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.2150	0.000	1	104.5191	0.298	9	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.1090	0.000	1	104.5191	0.298	9	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.7370	0.000	1	104.5191	0.298	9	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.2820	0.365	2	104.4186	0.222	29	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.4770	0.270	4	104.4186	0.222	29	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,4|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.4890	0.000	1	104.4186	0.222	29	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.7110	0.120	2	104.4186	0.222	29	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.6700	0.000	1	104.4186	0.222	29	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.3240	0.000	1	104.4186	0.222	29	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.5085	0.084	2	104.4186	0.222	29	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	103.9990	0.000	2	104.4186	0.222	29	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.1190	0.000	1	104.4186	0.222	29	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.1590	0.000	1	104.4186	0.222	29	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|B<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.4505	0.493	2	104.4186	0.222	29	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|F<1>,1|O<2>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.1240	0.000	1	104.4186	0.222	29	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	103.8360	0.000	1	104.4186	0.222	29	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.2935	0.117	2	104.4186	0.222	29	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|N<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.5620	0.000	1	104.4186	0.222	29	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.1140	0.000	1	104.4186	0.222	29	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	103.7695	0.921	2	104.4186	0.222	29	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.4035	0.470	2	104.4186	0.222	29	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.3350	0.000	1	104.9239	0.032	12	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9765	0.036	2	104.9239	0.032	12	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.6680	0.000	1	104.9239	0.032	12	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9470	0.177	2	104.9239	0.032	12	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.8862	0.141	4	104.9239	0.032	12	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){7|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.8710	0.000	1	104.9239	0.032	12	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,3|O<2>,4|H<1>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.8210	0.000	1	104.9239	0.032	12	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.5950	0.000	1	105.5950	0.000	1	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|C<3>,1|O<1>,1|O<2>,3|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	103.7870	0.000	1	103.6160	0.058	2	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,3|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	103.4450	0.000	1	103.6160	0.058	2	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	103.2660	0.000	1	103.2660	0.000	1	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	103.0570	0.000	1	103.0570	0.000	1	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.0610	0.000	1	106.0610	0.000	1	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1180	0.300	2	107.1180	0.090	2	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.0600	0.373	2	106.0600	0.139	2	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,9|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.7575	0.192	2	105.7903	0.022	3	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)2(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.8560	0.000	1	105.7903	0.022	3	104.7313	0.693	72	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)2(CC[6a]HO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)2(CC[6a]HO)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2500	0.000	1	108.2500	0.000	1	108.2500	0.000	1	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[3,6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[3,6]HH)(CH3){1|N<3>,4|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0820	0.000	1	107.0820	0.000	1	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[4,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[4,6]HH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.7040	0.338	2	106.7040	0.114	2	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(CH3){2|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.8320	0.000	1	104.8320	0.000	1	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]CC)(H){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9830	0.000	1	104.9830	0.000	1	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,4|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.6300	0.000	1	106.6300	0.000	1	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(CH3){2|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1303	0.322	4	107.1303	0.104	4	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.0070	0.000	1	106.8545	0.483	4	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.5660	0.000	1	106.8545	0.483	4	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4225	0.052	2	106.8545	0.483	4	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6]CC)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.7760	0.000	1	104.7760	0.000	1	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H){3|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.3190	0.000	1	105.3190	0.000	1	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.7430	0.000	1	107.0020	0.134	2	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2610	0.000	1	107.0020	0.134	2	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(C[6]C[6]CC)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.2000	0.000	1	105.2000	0.000	1	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]BrH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]BrH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|Br<1>,4|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6760	0.000	1	106.6760	0.000	1	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3,6,6]C[3,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[3,6,6]C[3,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.7060	0.000	1	104.7060	0.000	1	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.8340	0.000	1	104.8340	0.000	1	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	103.9480	0.000	1	104.2510	0.184	2	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.5540	0.000	1	104.2510	0.184	2	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.4650	0.000	1	104.2666	0.165	30	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.2610	0.000	1	104.2666	0.165	30	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.3140	0.000	1	104.2666	0.165	30	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.5090	0.000	1	104.2666	0.165	30	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.2300	0.000	1	104.2666	0.165	30	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.8500	0.000	1	104.2666	0.165	30	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.1634	0.286	21	104.2666	0.165	30	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	103.9793	0.275	3	104.2666	0.165	30	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	103.5510	0.000	1	103.5510	0.000	1	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.5410	0.000	1	104.5410	0.000	1	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]2H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]2H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.3870	0.000	1	104.3870	0.000	1	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.4310	0.000	1	104.4310	0.000	1	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]Cr)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|Cr<9>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]Cr)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){5|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	99.7081	0.000	1	99.7081	0.000	1	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(CH3){2|O<2>,4|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.6040	0.000	1	104.6040	0.000	1	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|Br<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.5870	0.000	1	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.1083	0.142	3	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.6953	0.259	8	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.7607	0.782	3	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.0615	0.032	2	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	103.1275	3.314	2	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.1967	1.115	8	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.1210	0.000	1	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.0040	0.000	1	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.9920	0.000	1	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.5301	0.194	10	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.6386	0.995	5	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.1820	0.000	1	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.4385	0.247	4	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.0570	0.000	1	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.0645	0.229	4	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.0740	0.368	2	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.7316	0.343	8	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.4870	0.000	1	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.7920	0.000	1	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.5910	0.047	2	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.6980	0.000	1	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.5660	0.076	2	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.6586	0.155	5	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.9040	0.000	1	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.1290	0.000	1	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.0560	0.000	1	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|I<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.4290	0.165	2	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|N<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.3770	0.000	1	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.4423	1.035	3	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|Cl<1>,1|O<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.7560	0.000	1	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.6225	0.043	2	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.5273	0.448	3	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.5680	0.385	9	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.3355	0.101	2	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.4585	0.032	2	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.4460	0.257	7	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.6450	0.000	1	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.2440	0.000	1	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.6730	0.378	5	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.3201	0.460	22	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.7055	0.136	4	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.0690	0.000	1	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,5|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.4470	0.287	4	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.2010	0.000	1	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.7950	0.000	1	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.3139	0.238	43	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.3180	0.000	1	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.2530	0.000	1	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.5710	0.308	4	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.5019	0.689	7	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.3630	0.385	5	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9540	0.000	1	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.0275	0.066	2	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.0740	0.000	1	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.6413	0.483	9	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.0460	0.000	1	104.6245	0.358	227	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.2260	0.000	1	104.7193	0.199	3	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){2|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.5440	0.000	1	104.7193	0.199	3	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,3|O<2>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.3880	0.000	1	104.7193	0.199	3	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.2120	0.000	1	105.2120	0.000	1	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2O[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]2O[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.0270	0.000	1	105.1690	0.035	3	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2O[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2O[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){7|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.2400	0.201	2	105.1690	0.035	3	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.8630	0.000	1	104.8214	0.654	14	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.1135	0.129	4	104.8214	0.654	14	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	102.3420	0.000	1	104.8214	0.654	14	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,5|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.8551	0.351	8	104.8214	0.654	14	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<1>,2|O<2>,3|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	103.1700	0.000	1	103.1700	0.000	1	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|Si<4>,1|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9540	0.109	2	106.6614	0.734	10	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6770	0.000	2	106.6614	0.734	10	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.2870	0.000	1	106.6614	0.734	10	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.2970	0.000	1	106.6614	0.734	10	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.8220	0.000	1	106.6614	0.734	10	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){5|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6487	0.593	3	106.6614	0.734	10	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.8355	0.080	2	105.2897	0.403	4	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.7440	0.109	2	105.2897	0.403	4	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|Cl<1>,1|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3385	0.344	2	106.1437	2.283	6	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|Cl<1>,4|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.5463	1.529	4	106.1437	2.283	6	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.3850	0.000	1	105.4745	1.658	2	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HN)(H){2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|N<2>,4|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.5640	0.000	1	105.4745	1.658	2	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|Br<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.6020	0.000	1	105.9999	1.466	9	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.1746	1.167	8	105.9999	1.466	9	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3900	0.000	1	107.3900	0.000	1	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9720	0.000	1	106.6514	0.108	5	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.5712	0.318	4	106.6514	0.108	5	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|Cl<1>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.3340	0.000	1	106.3340	0.000	1	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<2>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9455	0.554	2	106.6309	0.898	256	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6150	0.000	1	106.6309	0.898	256	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4480	0.000	1	106.6309	0.898	256	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6593	0.174	4	106.6309	0.898	256	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4895	0.414	2	106.6309	0.898	256	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6610	0.000	1	106.6309	0.898	256	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.1290	0.232	4	106.6309	0.898	256	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4850	0.068	2	106.6309	0.898	256	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1460	0.238	2	106.6309	0.898	256	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|N<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,9|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8670	0.000	1	106.6309	0.898	256	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|N<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0590	0.000	1	106.6309	0.898	256	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|N<3>,1|N<4>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.1800	0.000	2	106.6309	0.898	256	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|N<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6420	0.200	4	106.6309	0.898	256	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,9|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9954	0.471	5	106.6309	0.898	256	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,9|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.3870	0.000	1	106.6309	0.898	256	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.5947	0.249	3	106.6309	0.898	256	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6310	0.000	1	106.6309	0.898	256	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,9|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8807	1.875	15	106.6309	0.898	256	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.1240	0.198	2	106.6309	0.898	256	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,9|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8670	0.061	2	106.6309	0.898	256	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.3450	0.000	1	106.6309	0.898	256	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9210	0.049	2	106.6309	0.898	256	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,9|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.5950	0.000	1	106.6309	0.898	256	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6722	0.641	78	106.6309	0.898	256	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.5513	0.383	3	106.6309	0.898	256	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.3410	0.355	2	106.6309	0.898	256	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|Br<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8140	0.000	1	106.6309	0.898	256	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|N<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.5590	0.000	1	106.6309	0.898	256	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,9|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4490	0.000	1	106.6309	0.898	256	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,9|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.2733	2.187	4	106.6309	0.898	256	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,9|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8110	0.000	1	106.6309	0.898	256	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6874	1.067	94	106.6309	0.898	256	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,9|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6020	0.000	1	106.6309	0.898	256	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.7264	0.849	8	106.6309	0.898	256	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,9|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.3360	0.000	1	106.6309	0.898	256	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.0480	0.000	1	106.6309	0.898	256	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CHHO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CHHO){4|C<4>,9|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.1123	0.250	3	106.1123	0.062	3	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){4|C<4>,9|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2770	0.000	1	107.2770	0.000	1	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.7890	0.000	1	106.7890	0.000	1	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9390	0.000	1	106.9390	0.000	1	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)2(H){2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|O<2>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5140	0.000	1	107.5140	0.000	1	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[5]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[5]H)(C[6]C[6]HH)(H){1|O<1>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.0260	0.000	1	106.0260	0.000	1	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6]H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|N<3>,4|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	103.9500	0.000	1	103.9500	0.000	1	105.6247	1.689	612	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3){1|N<2>,2|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.7570	0.000	1	105.0802	0.182	5	106.4895	0.664	35	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3){2|C<3>,4|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.9835	0.260	2	105.0802	0.182	5	106.4895	0.664	35	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3){3|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.8890	0.000	1	105.0802	0.182	5	106.4895	0.664	35	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3){1|N<2>,1|O<1>,2|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.7880	0.000	1	105.0802	0.182	5	106.4895	0.664	35	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3){2|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6464	0.852	14	106.7233	0.375	28	106.4895	0.664	35	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3){2|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8003	0.205	14	106.7233	0.375	28	106.4895	0.664	35	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(C[6,6]C[6]2H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(C[6,6]C[6]2H)(CH3){2|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9940	0.000	1	106.9940	0.000	1	106.4895	0.664	35	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6,6]C[6]2H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6,6]C[6]2H)(CH3){2|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4850	0.000	1	106.4850	0.000	1	106.4895	0.664	35	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9540	0.000	1	106.9540	0.000	1	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CO)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.0350	0.000	1	105.0350	0.000	1	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6500	0.000	1	107.1727	0.218	3	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5470	0.000	1	107.1727	0.218	3	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3210	0.000	1	107.1727	0.218	3	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HO)(C[6]C[6]CO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HO)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]HO)(CH3){3|C<4>,3|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	103.1690	0.000	1	103.1690	0.000	1	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.8190	0.000	1	105.8190	0.000	1	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]BrH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]BrH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|Br<1>,1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4875	0.124	2	107.4875	0.015	2	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.6660	0.000	1	104.6660	0.000	1	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|Br<1>,1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.4270	0.000	1	104.5681	0.102	49	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.0650	0.000	1	104.5681	0.102	49	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.8530	0.000	1	104.5681	0.102	49	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.6620	0.000	1	104.5681	0.102	49	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.4150	0.000	1	104.5681	0.102	49	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.3173	0.302	3	104.5681	0.102	49	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.3780	0.000	1	104.5681	0.102	49	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.2615	0.279	2	104.5681	0.102	49	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.2200	0.000	1	104.5681	0.102	49	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.5180	0.000	1	104.5681	0.102	49	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.6013	0.102	3	104.5681	0.102	49	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.9090	0.000	1	104.5681	0.102	49	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<1>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.4090	0.000	1	104.5681	0.102	49	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.4870	0.066	2	104.5681	0.102	49	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.2284	0.269	5	104.5681	0.102	49	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.4830	0.000	1	104.5681	0.102	49	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.1390	0.000	1	104.5681	0.102	49	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.5080	0.000	1	104.5681	0.102	49	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.4550	0.099	2	104.5681	0.102	49	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.3320	0.000	1	104.5681	0.102	49	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.5209	0.147	15	104.5681	0.102	49	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){4|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.4660	0.188	3	104.5681	0.102	49	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){5|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.4300	0.392	3	104.6825	0.157	6	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9350	0.218	3	104.6825	0.157	6	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.1100	0.000	1	105.1100	0.000	1	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HO)(H){2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	103.2195	0.084	2	103.2195	0.007	2	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6035	0.716	2	106.3763	0.361	7	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){3|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.2854	0.615	5	106.3763	0.361	7	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9840	0.000	1	104.9840	0.000	1	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){2|C<4>,2|O<2>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.8840	0.000	1	104.8840	0.000	1	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.1910	0.000	1	104.2428	1.924	4	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.7965	0.183	2	104.2428	1.924	4	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	102.1870	0.000	1	104.2428	1.924	4	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.5090	0.000	1	104.8010	0.171	2	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){2|O<2>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.0930	0.000	1	104.8010	0.171	2	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.6155	0.052	2	105.5162	4.253	11	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.7860	0.690	2	105.5162	4.253	11	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.5355	0.315	2	105.5162	4.253	11	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.2070	0.000	1	105.5162	4.253	11	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.3992	0.300	4	105.5162	4.253	11	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){2|O<2>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.1180	0.000	1	105.1180	0.000	1	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.3230	0.120	2	105.3230	0.014	2	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1400	0.000	1	106.0163	1.507	3	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.2030	0.000	1	106.0163	1.507	3	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.7060	0.000	1	106.0163	1.507	3	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6860	0.000	1	107.6860	0.000	1	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CCHH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CCHH){1|C<3>,1|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5810	0.000	1	107.5810	0.000	1	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4780	0.000	1	106.4780	0.000	1	105.0770	1.448	103	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.5420	0.000	1	104.5420	0.000	1	104.5420	0.000	1	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]CH)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]CH)(H){1|O<2>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH){3|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.2140	0.000	1	107.2140	0.000	1	107.3755	0.052	2	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]CH)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CH3)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]CH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CH3){3|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.5370	0.000	1	107.5370	0.000	1	107.3755	0.052	2	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CCCH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CCCH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9090	0.173	2	107.9090	0.030	2	107.9090	0.030	2	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(H)	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.8580	0.000	1	104.8580	0.000	1	104.8580	0.000	1	105.5025	1.505	1845	108.5246	3.738	19982	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	2:3:4:1:	4:4:1:1:	4:	O[6,6]-2:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](O[6,6]C[6,6])(C[6]C[5,6]N)(C[6]C[6]HH)(H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]O[6,6]C[6]2)	C[6,6](O[6,6]C[6,6])(C[6]C[5,6]N)(C[6]C[6]HH)(H){1|C<4>,2|N<3>,3|H<1>}	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6,6]O[6,6]C[6]2)	107.8520	0.000	1	107.8520	0.000	1	108.3250	0.447	2	108.3250	0.447	2	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	2:3:4:1:	4:4:1:1:	4:	O[6,6]-2:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](O[6,6]C[6,6])(C[6]C[6,6]N)(C[6]C[6]HH)(H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]O[6,6]C[6]2)	C[6,6](O[6,6]C[6,6])(C[6]C[6,6]N)(C[6]C[6]HH)(H){3|C<4>,4|H<1>}	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[6,6]O[6,6]C[6]2)	108.7980	0.000	1	108.7980	0.000	1	108.3250	0.447	2	108.3250	0.447	2	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	2:4:2:1:	4:4:1:1:	4:	O[6,6]-2:C[6]-4:S[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(S[6]C[6])(H)	C[6](C[6,6]O[6,6]S[6]H)(C[6]S[6]CC)(H)2	H(C[6,6]O[6,6]C[6]S[6])	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(S[6]C[6])(H){1|H<1>,1|S<2>,5|C<4>}	C[6](C[6,6]O[6,6]S[6]H)(C[6]S[6]CC)(H)2{2|C<4>}	H(C[6,6]O[6,6]C[6]S[6])	110.3430	0.325	2	110.3430	0.106	2	110.3430	0.106	2	110.3430	0.106	2	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	2:4:4:1:	4:4:1:1:	4:	O[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:Br-1:H-1:	C[6,6]-4:	C[6,6](O[6,6]C[6,6])(C[6]C[6]BrH)(C[6]C[6]HH)(H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(Br)(H)	H(C[6,6]O[6,6]C[6]2)	C[6,6](O[6,6]C[6,6])(C[6]C[6]BrH)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(Br)(H){2|C<4>,4|H<1>}	H(C[6,6]O[6,6]C[6]2)	107.6560	0.011	2	107.6560	0.000	2	107.6560	0.000	2	107.5602	0.370	40	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	2:4:4:1:	4:4:1:1:	4:	O[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](O[6,6]C[6,6])(C[6]C[6]BrH)(C[6]C[6]HH)(H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]O[6,6]C[6]2)	C[6,6](O[6,6]C[6,6])(C[6]C[6]BrH)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]O[6,6]C[6]2)	107.6745	0.015	2	107.6745	0.000	2	107.3834	0.670	18	107.5602	0.370	40	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	2:4:4:1:	4:4:1:1:	4:	O[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]CC)(H)2	H(C[6,6]O[6,6]C[6]2)	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|H<1>,1|N<3>,1|O<2>,4|C<4>}	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]CC)(H)2{2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]O[6,6]C[6]2)	107.5800	0.000	1	107.6390	0.007	2	107.3834	0.670	18	107.5602	0.370	40	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	2:4:4:1:	4:4:1:1:	4:	O[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]CC)(H)2	H(C[6,6]O[6,6]C[6]2)	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]O[6,6]C[6]2)	107.6980	0.000	1	107.6390	0.007	2	107.3834	0.670	18	107.5602	0.370	40	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	2:4:4:1:	4:4:1:1:	4:	O[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]O[6,6]C[6]2)	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]O[6,6]C[6]2)	106.9632	0.423	6	107.0335	0.145	8	107.3834	0.670	18	107.5602	0.370	40	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	2:4:4:1:	4:4:1:1:	4:	O[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]O[6,6]C[6]2)	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,5|H<1>}	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]O[6,6]C[6]2)	107.2445	0.053	2	107.0335	0.145	8	107.3834	0.670	18	107.5602	0.370	40	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	2:4:4:1:	4:4:1:1:	4:	O[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]O[6,6]C[6]2)	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(H)2{2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]O[6,6]C[6]2)	106.8303	0.217	4	106.8303	0.047	4	107.3834	0.670	18	107.5602	0.370	40	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	2:4:4:1:	4:4:1:1:	4:	O[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](O[6,6]C[6,6])(C[6]C[6]RuH)(C[6]C[6]HH)(H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]RuH)(H)2	H(C[6,6]O[6,6]C[6]2)	C[6,6](O[6,6]C[6,6])(C[6]C[6]RuH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]RuH)(H)2{2|C<4>,2|H<1>}	H(C[6,6]O[6,6]C[6]2)	109.3430	0.201	2	109.3430	0.040	2	107.3834	0.670	18	107.5602	0.370	40	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	2:4:4:1:	4:4:1:1:	4:	Se[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:Br-1:H-1:	C[6,6]-4:	C[6,6](Se[6,6]C[6,6])(C[6]C[6]BrH)(C[6]C[6]HH)(H)	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(Br)(H)	H(C[6,6]Se[6,6]C[6]2)	C[6,6](Se[6,6]C[6,6])(C[6]C[6]BrH)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(Br)(H){2|C<4>,4|H<1>}	H(C[6,6]Se[6,6]C[6]2)	107.8456	0.470	5	107.8456	0.221	5	107.8456	0.221	5	107.5602	0.370	40	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	2:4:4:1:	4:4:1:1:	4:	Se[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-4:	C[6,6](Se[6,6]C[6,6])(C[6]C[6]ClH)(C[6]C[6]HH)(H)	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(Cl)(H)	H(C[6,6]Se[6,6]C[6]2)	C[6,6](Se[6,6]C[6,6])(C[6]C[6]ClH)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(Cl)(H){2|C<4>,4|H<1>}	H(C[6,6]Se[6,6]C[6]2)	107.5880	0.048	2	107.5880	0.002	2	107.5880	0.002	2	107.5602	0.370	40	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	2:4:4:1:	4:4:1:1:	4:	Se[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](Se[6,6]C[6,6])(C[6]C[6]BrH)(C[6]C[6]HH)(H)	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]Se[6,6]C[6]2)	C[6,6](Se[6,6]C[6,6])(C[6]C[6]BrH)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|Br<1>,2|C<4>,2|H<1>}	H(C[6,6]Se[6,6]C[6]2)	107.8064	0.455	5	107.8064	0.207	5	107.6963	0.108	10	107.5602	0.370	40	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	2:4:4:1:	4:4:1:1:	4:	Se[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](Se[6,6]C[6,6])(C[6]C[6]ClH)(C[6]C[6]HH)(H)	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]Se[6,6]C[6]2)	C[6,6](Se[6,6]C[6,6])(C[6]C[6]ClH)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|Cl<1>,2|C<4>,2|H<1>}	H(C[6,6]Se[6,6]C[6]2)	107.5805	0.005	2	107.5805	0.000	2	107.6963	0.108	10	107.5602	0.370	40	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	2:4:4:1:	4:4:1:1:	4:	Se[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](Se[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HI)(H)	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]Se[6,6]C[6]2)	C[6,6](Se[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HI)(H){2|C<4>,5|H<1>}	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|I<1>}	H(C[6,6]Se[6,6]C[6]2)	107.5900	0.105	3	107.5900	0.011	3	107.6963	0.108	10	107.5602	0.370	40	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	2:4:4:1:	4:4:1:1:	4:	Se[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:I-1:	C[6,6]-4:	C[6,6](Se[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HI)(H)	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)(I)	H(C[6,6]Se[6,6]C[6]2)	C[6,6](Se[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HI)(H){2|C<4>,5|H<1>}	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)(I){2|C<4>,4|H<1>}	H(C[6,6]Se[6,6]C[6]2)	107.6087	0.093	3	107.6087	0.009	3	107.6087	0.009	3	107.5602	0.370	40	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	2:4:4:1:	4:4:2:1:	4:	O[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6,6]O[6,6]C[6]2)	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,5|H<1>}	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){2|C<4>,4|H<1>}	H(C[6,6]O[6,6]C[6]2)	107.2865	0.125	2	107.2865	0.016	2	107.0256	0.156	14	107.0256	0.156	14	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	2:4:4:1:	4:4:2:1:	4:	O[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6,6]O[6,6]C[6]2)	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|F<1>,2|H<1>}	H(C[6,6]O[6,6]C[6]2)	107.1745	0.001	2	107.1745	0.000	2	107.0256	0.156	14	107.0256	0.156	14	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	2:4:4:1:	4:4:2:1:	4:	O[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6,6]O[6,6]C[6]2)	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|F<1>,2|H<1>}	H(C[6,6]O[6,6]C[6]2)	107.7040	0.000	1	107.0420	0.293	6	107.0256	0.156	14	107.0256	0.156	14	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	2:4:4:1:	4:4:2:1:	4:	O[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6,6]O[6,6]C[6]2)	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]O[6,6]C[6]2)	107.6700	0.000	1	107.0420	0.293	6	107.0256	0.156	14	107.0256	0.156	14	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	2:4:4:1:	4:4:2:1:	4:	O[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6,6]O[6,6]C[6]2)	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|F<1>,2|H<1>}	H(C[6,6]O[6,6]C[6]2)	106.7195	0.267	4	107.0420	0.293	6	107.0256	0.156	14	107.0256	0.156	14	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	2:4:4:1:	4:4:2:1:	4:	O[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OSi)(H)	H(C[6,6]O[6,6]C[6]2)	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OSi)(H){2|C<4>,4|H<1>}	H(C[6,6]O[6,6]C[6]2)	106.7963	0.227	4	106.7963	0.051	4	107.0256	0.156	14	107.0256	0.156	14	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:2:4:1:	4:2:1:1:	4:	N[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(C[6]O[6]HH)(H)	C[6](C[6,6]N[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6,6]N[6,6]C[6]O[6])	C[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(C[6]O[6]HH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]N[6,6]O[6]H)(O[6]C[6])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6,6]N[6,6]C[6]O[6])	108.6900	0.000	1	108.6900	0.000	1	108.6900	0.000	1	108.6900	0.000	1	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:2:4:1:	4:3:1:1:	4:	C[6,6a]-3:O[6,6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6]C[6a]C[6])(H)2	H(C[6,6]C[6,6a]O[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6,6]C[6,6a]O[6,6]C[6])	107.7370	0.000	1	107.6720	0.008	2	107.6720	0.008	2	107.6720	0.008	2	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:2:4:1:	4:3:1:1:	4:	C[6,6a]-3:O[6,6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6]C[6a]C[6])(H)2	H(C[6,6]C[6,6a]O[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6]C[6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6,6]C[6,6a]O[6,6]C[6])	107.6070	0.000	1	107.6720	0.008	2	107.6720	0.008	2	107.6720	0.008	2	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:2:4:1:	4:3:2:2:	4:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]OO)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(OC)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]OO)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(OC)2{1|S<4>,3|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	105.2160	0.000	1	105.2160	0.000	1	105.2160	0.000	1	105.2160	0.000	1	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:2:4:1:	4:4:1:1:	4:	C[5a,6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5a,6,6]C[6]O[6])	C[6,6](C[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[5a,6,6]O[6]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6,6]C[5a,6,6]C[6]O[6])	110.0980	0.000	1	110.0980	0.000	1	110.0980	0.000	1	107.6165	8.251	15	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:2:4:1:	4:4:1:1:	4:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6])(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5a,6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5a,6]C[6])(O[6]C[6,6a])(C[6]C[6]HH)(H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5a,6]HH)(H)2{4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	106.9620	0.000	1	106.9620	0.000	1	106.8139	14.467	8	107.6165	8.251	15	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:2:4:1:	4:4:1:1:	4:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]C[6])(O[6]C[6,6a])(C[6]C[6]HH)(H){3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6a]HH)(H)2{4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	106.6530	0.000	1	106.6530	0.000	1	106.8139	14.467	8	107.6165	8.251	15	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:2:4:1:	4:4:1:1:	4:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[6])(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6a]C[6a]H)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]N[6])(O[6]C[6,6a])(C[6]C[6]HH)(H){1|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6a]C[6a]H)(H)2{1|N<2>,5|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	108.6690	0.000	1	108.6690	0.000	1	106.8139	14.467	8	107.6165	8.251	15	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:2:4:1:	4:4:1:1:	4:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.2860	0.000	1	108.2860	0.000	1	106.8139	14.467	8	107.6165	8.251	15	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:2:4:1:	4:4:1:1:	4:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	97.6771	0.000	1	104.8500	38.702	3	106.8139	14.467	8	107.6165	8.251	15	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:2:4:1:	4:4:1:1:	4:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	108.7740	0.000	1	104.8500	38.702	3	106.8139	14.467	8	107.6165	8.251	15	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:2:4:1:	4:4:1:1:	4:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	108.0990	0.000	1	104.8500	38.702	3	106.8139	14.467	8	107.6165	8.251	15	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:2:4:1:	4:4:1:1:	4:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]CH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]CH)(H)2{1|S<4>,3|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	109.3910	0.000	1	109.3910	0.000	1	106.8139	14.467	8	107.6165	8.251	15	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:2:4:1:	4:4:1:1:	4:	C[6,6a]-3:O[6,6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6a]O[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6]C[6]HO)(H)2{1|H<1>,3|C<3>}	H(C[6,6]C[6,6a]O[6,6]C[6])	108.1840	0.000	1	108.1840	0.000	1	108.1840	0.000	1	107.6165	8.251	15	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:2:4:1:	4:4:1:1:	4:	N[5,6]-3:O[6,6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[5,6]C[5,6]C[5])(O[6,6]C[6,6])(C[6]C[6]HH)(H)	C[6](C[6,6]N[5,6]O[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[5,6]O[6,6]C[6])	C[6,6](N[5,6]C[5,6]C[5])(O[6,6]C[6,6])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6,6]N[5,6]O[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6,6]N[5,6]O[6,6]C[6])	108.4690	0.000	1	108.4690	0.000	1	108.4690	0.000	1	107.6165	8.251	15	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:2:4:1:	4:4:1:1:	4:	N[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]C[6]O[6])	C[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6,6]N[6,6]C[6]O[6])	108.2710	0.482	2	108.2463	0.099	4	108.2463	0.099	4	107.6165	8.251	15	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:2:4:1:	4:4:1:1:	4:	N[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]C[6]O[6])	C[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6,6]N[6,6]C[6]O[6])	108.2215	0.250	2	108.2463	0.099	4	108.2463	0.099	4	107.6165	8.251	15	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:2:4:1:	4:4:2:1:	4:	C[6,6]-3:S[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]O)(S[6]C[5,6,6])(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[5,6]HO)(OH)(H)	H(C[6,6]C[6,6]C[6]S[6])	C[6,6](C[6,6]C[5,6,6]O)(S[6]C[5,6,6])(C[6]C[6]HO)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[5,6]HO)(OH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[6,6]C[6,6]C[6]S[6])	108.1490	0.262	2	108.1490	0.068	2	108.1490	0.068	2	108.1490	0.068	2	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:2:1:1:	4:	C[6,6]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(O[6]C[6,6a])(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(O[6]C[6,6a])(H)2{5|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.0023	0.511	3	108.0023	0.261	3	108.0023	0.261	3	108.6038	0.479	9	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:2:1:1:	4:	C[6,6]-3:N[6]-3:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6a]O[6])(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]N[6]H)(O[6]N[6])(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6a]O[6])(C[6]O[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(O[6]N[6])(H)2{1|C<4>,1|O<2>,3|C<3>}	H(C[6,6]C[6,6]C[6]N[6])	108.1985	0.378	2	108.1985	0.143	2	108.1985	0.143	2	108.6038	0.479	9	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:2:1:1:	4:	N[6,6]-3:N[6]-3:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]N[6])(N[6]N[6,6]H)(C[6]O[6]HH)(H)	C[6](C[6,6]N[6,6]N[6]H)(O[6]C[6])(H)2	H(C[6,6]N[6,6]C[6]N[6])	C[6,6](N[6,6]C[6]N[6])(N[6]N[6,6]H)(C[6]O[6]HH)(H){3|C<4>,3|H<1>}	C[6](C[6,6]N[6,6]N[6]H)(O[6]C[6])(H)2{1|C<4>,2|N<3>,3|H<1>}	H(C[6,6]N[6,6]C[6]N[6])	109.2575	0.122	4	109.2575	0.015	4	109.2575	0.015	4	108.6038	0.479	9	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:2:2:1:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:O[6]-2:S-2:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]O[6]HS)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(O[6]C[6])(SC[6a])(H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]O[6]HS)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(O[6]C[6])(SC[6a])(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.8240	0.000	1	108.8240	0.000	1	108.8240	0.000	1	108.8240	0.000	1	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:2:4:1:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]O[6]CH)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(O[6]C[6])(CCHH)(H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]O[6]CH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(O[6]C[6])(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	107.5900	0.000	1	107.5900	0.000	1	107.5900	0.000	1	107.5900	0.000	1	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]C)(H)2	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]C)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[6,6]C[5a,6]N[6,6]C[6])	108.2430	0.000	1	108.2430	0.000	1	108.6082	0.220	5	108.1783	0.793	18	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6,6]C[5a,6]N[6,6]C[6])	108.5750	0.000	1	108.5750	0.000	1	108.6082	0.220	5	108.1783	0.793	18	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6,6]C[5a,6]N[6,6]C[6])	108.4490	0.426	2	108.7410	0.346	3	108.6082	0.220	5	108.1783	0.793	18	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|S<4>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	109.3250	0.000	1	108.7410	0.346	3	108.6082	0.220	5	108.1783	0.793	18	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[4])(C[6]N[6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(N[6]C[6]H)(H)2	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[4])(C[6]N[6]HH)(H){3|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[5a,6]N[6,6]H)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	H(C[6,6]C[5a,6]N[6,6]C[6])	106.6280	0.000	1	106.6280	0.000	1	106.6280	0.000	1	108.1783	0.793	18	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]H)(H)2{1|C<2>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	108.3550	0.000	1	108.3550	0.000	1	108.3550	0.000	1	108.1783	0.793	18	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]C)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]C)(H)2{4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.9440	0.000	1	107.9440	0.000	1	107.9440	0.000	1	108.1783	0.793	18	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(H)2{1|C<4>,4|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	109.5120	0.235	2	109.5120	0.055	2	108.3438	2.125	4	108.1783	0.793	18	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	106.5190	0.000	1	106.5190	0.000	1	108.3438	2.125	4	108.1783	0.793	18	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>,3|O<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	107.8320	0.000	1	107.8320	0.000	1	108.3438	2.125	4	108.1783	0.793	18	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6]C)(H)2	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]N[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.2130	0.000	1	108.2450	0.078	5	108.2450	0.078	5	108.1783	0.793	18	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6]C)(H)2	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]N[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.2530	0.323	4	108.2450	0.078	5	108.2450	0.078	5	108.1783	0.793	18	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|S<1>,1|S<2>,3|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H)2{2|C<4>,3|C<3>}	H(C[6,6]N[6,6]C[6]2)	106.6420	0.000	1	106.6420	0.000	1	106.6420	0.000	1	108.1783	0.793	18	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:3:2:1:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-2:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]N[6,6]O)(CN)(H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]N[6,6]O)(CN)(H){2|C<3>,3|C<4>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.1210	0.000	1	108.1210	0.000	1	108.1210	0.000	1	108.1210	0.000	1	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:3:3:1:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(H){1|C<4>,4|H<1>,6|C<3>}	C[6](C[6,6]C[5a,6]N[6,6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	H(C[6,6]C[5a,6]N[6,6]C[6])	107.5510	0.000	1	107.5510	0.000	1	107.5510	0.000	1	107.5510	0.000	1	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:3:4:1:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(CCHH)(H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,1|S<2>,3|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	107.0220	0.000	1	107.0220	0.000	1	107.0220	0.000	1	107.0220	0.000	1	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[5,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6,6]C[5,6]N[6,6]C[6])	C[6,6](C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|N<2>,5|C<3>}	H(C[6,6]C[5,6]N[6,6]C[6])	107.1430	0.000	1	107.1430	0.000	1	107.1430	0.000	1	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5a,6]C[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6,6]C[5a,6]C[6,6]C[6])	107.5040	0.000	1	107.5040	0.000	1	107.5040	0.000	1	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]H)(C[6]C[5,6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]H)(C[6]C[5,6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	108.6710	0.000	1	108.6710	0.000	1	108.6710	0.000	1	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6,6]HH)(H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>,5|C<4>}	H(C[6,6]C[5a,6]N[6,6]C[6])	109.2800	0.414	2	109.3480	0.100	3	109.3480	0.100	3	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6,6]HH)(H){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	H(C[6,6]C[5a,6]N[6,6]C[6])	109.4840	0.000	1	109.3480	0.100	3	109.3480	0.100	3	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[6,6]C[5a,6]N[6,6]C[6])	109.0430	0.187	2	108.5247	0.823	3	108.5528	0.852	21	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[5,6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>}	H(C[6,6]C[5a,6]N[6,6]C[6])	107.4880	0.000	1	108.5247	0.823	3	108.5528	0.852	21	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6,6]C[5a,6]N[6,6]C[6])	110.0690	0.000	2	110.0690	0.000	2	108.5528	0.852	21	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	H(C[6,6]C[5a,6]N[6,6]C[6])	109.0105	0.562	2	109.0105	0.316	2	108.5528	0.852	21	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[5]C[6]H)(H)2	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[5]C[6]H)(H)2{1|H<1>,1|N<3>,2|C<4>,2|S<2>,3|C<3>}	H(C[6,6]C[5a,6]N[6,6]C[6])	109.6150	0.000	1	109.6150	0.000	1	108.5528	0.852	21	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6,6]C[5a,6]N[6,6]C[6])	108.3205	2.015	2	108.3340	0.899	8	108.5528	0.852	21	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,5|C<3>,5|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[6,6]C[5a,6]N[6,6]C[6])	107.6980	0.000	1	108.3340	0.899	8	108.5528	0.852	21	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6,6]C[5a,6]N[6,6]C[6])	107.4680	0.000	1	108.3340	0.899	8	108.5528	0.852	21	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6,6]C[5a,6]N[6,6]C[6])	109.0560	0.000	1	108.3340	0.899	8	108.5528	0.852	21	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[6,6]C[5a,6]N[6,6]C[6])	108.8325	0.158	2	108.3340	0.899	8	108.5528	0.852	21	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[6,6]C[5a,6]N[6,6]C[6])	108.1440	0.000	1	108.3340	0.899	8	108.5528	0.852	21	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,7|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[6,6]C[5a,6]N[6,6]C[6])	108.1585	0.056	2	107.9176	0.057	5	108.5528	0.852	21	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[6,6]C[5a,6]N[6,6]C[6])	107.7570	0.128	3	107.9176	0.057	5	108.5528	0.852	21	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]SS)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(H){2|S<4>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]SS)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]2C[6])	108.2607	0.444	3	108.2607	0.197	3	108.2607	0.197	3	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<4>,2|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.9190	0.000	1	108.9190	0.000	1	109.4883	0.251	3	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.7730	0.126	2	109.7730	0.016	2	109.4883	0.251	3	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6,6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6,6a]C[6,6a]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6,6a]C[6,6a]C[6])	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6,6a]C[6,6a]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6,6]C[6,6,6a]C[6,6a]C[6])	106.9290	0.465	3	106.9290	0.217	3	106.9290	0.217	3	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{2|C<4>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.2650	0.000	1	106.2650	0.000	1	106.5820	0.102	3	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]OO)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,3|O<2>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]OO)(H)2{1|H<1>,5|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.9030	0.000	1	106.9030	0.000	1	106.5820	0.102	3	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]HH)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]HH)(H)2{1|S<4>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.5780	0.000	1	106.5780	0.000	1	106.5820	0.102	3	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[5,6]C[6a]H)(H)2	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[5,6]C[6a]H)(H)2{3|C<4>,5|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	107.5410	0.000	1	107.5410	0.000	1	108.1580	0.271	5	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.5370	0.010	2	108.2370	0.270	3	108.1580	0.271	5	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	107.6370	0.000	1	108.2370	0.270	3	108.1580	0.271	5	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]O[6]HH)(H)2	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]O[6]HH)(H)2{1|C<4>,1|S<3>,2|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.5380	0.000	1	108.5380	0.000	1	108.1580	0.271	5	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[5a,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[5a,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.1120	0.000	1	108.1120	0.000	1	107.7077	0.124	3	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]N[6,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]N[6,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[6,6]N[6,6]C[6]2)	107.5470	0.000	1	107.5055	0.003	2	107.7077	0.124	3	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]N[6,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]N[6,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.4640	0.000	1	107.5055	0.003	2	107.7077	0.124	3	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[5,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]N)(C[6]C[6]HH)(H)	C[6](C[6,6]N[5,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[5,6]N[6,6]C[6])	C[6,6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]N)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6,6]N[5,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6,6]N[5,6]N[6,6]C[6])	108.6040	0.000	1	108.6040	0.000	1	108.6040	0.000	1	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[5a,6]-3:C[5a,6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[5a,6]N[5a,6]C[5a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6,6]N[5a,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5a,6,6]N[5a,6]C[6])	C[6,6](N[5a,6]N[5a,6]C[5a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5a,6,6]N[5a,6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6,6]C[5a,6,6]N[5a,6]C[6])	108.5840	0.000	1	108.5840	0.000	1	108.5840	0.000	1	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[5a,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[5a,6]C[6,6]C[6])	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6,6]N[5a,6]C[6,6]C[6])	107.2910	0.000	1	107.2910	0.000	1	107.2910	0.000	1	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[5a,6]C[5a,6]N[5a])(N[6,6]C[6]N[6])(C[6]C[6]HH)(H)	C[6](C[6,6]N[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[5a,6]N[6,6]C[6])	C[6,6](N[5a,6]C[5a,6]N[5a])(N[6,6]C[6]N[6])(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]N[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6,6]N[5a,6]N[6,6]C[6])	108.4140	0.000	1	108.4140	0.000	1	108.4140	0.000	1	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[5,6]N)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[5,6]N)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.2600	0.000	1	108.2600	0.000	1	108.5200	0.135	2	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]N)(C[6]C[5,6]N)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]N)(C[6]C[5,6]N)(C[6]C[6]HH)(H){1|C<4>,2|N<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>}	H(C[6,6]N[6,6]C[6]2)	108.7800	0.000	1	108.7800	0.000	1	108.5200	0.135	2	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[6,6]-3:N[3x6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C[6])(N[3x6]C[3x6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]N[3x6]N[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]N[3x6]N[6,6]C[6])	C[6,6](N[6,6]C[6,6]C[6])(N[3x6]C[3x6]2)(C[6]C[6]HH)(H){1|N<3>,5|C<4>,7|H<1>}	C[6](C[6,6]N[3x6]N[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,5|C<4>}	H(C[6,6]N[3x6]N[6,6]C[6])	107.9675	0.120	2	107.9675	0.014	2	107.9675	0.014	2	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[6,6]-3:N[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[6](C[6,6]N[5,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[5,6]N[6,6]C[6])	C[6,6](N[6,6]C[6,6]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]N[5,6]N[6,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]N[5,6]N[6,6]C[6])	108.8070	0.000	1	108.8070	0.000	1	108.8070	0.000	1	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[3x6]C[5,6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]2C[6])	C[6,6](N[6,6]C[3x6]C[5,6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]N[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]N[6,6]2C[6])	108.8790	0.000	1	108.8790	0.000	1	107.9113	0.888	13	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]2C[6])	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]N[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]N[6,6]2C[6])	107.7758	0.309	4	107.5337	0.205	6	107.9113	0.888	13	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]2C[6])	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,7|H<1>}	C[6](C[6,6]N[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]N[6,6]2C[6])	106.9150	0.000	1	107.5337	0.205	6	107.9113	0.888	13	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]2C[6])	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,9|H<1>}	C[6](C[6,6]N[6,6]2H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6,6]N[6,6]2C[6])	107.1840	0.000	1	107.5337	0.205	6	107.9113	0.888	13	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6,6a]C[6])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]2H)(C[6]C[6a]C[6]H)(H)2	H(C[6,6]N[6,6]2C[6])	C[6,6](N[6,6]C[6,6,6a]C[6])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[6](C[6,6]N[6,6]2H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|H<1>,1|S<4>,4|C<3>}	H(C[6,6]N[6,6]2C[6])	106.1770	0.000	1	106.1770	0.000	1	107.9113	0.888	13	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C[6])2(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]2C[6])	C[6,6](N[6,6]C[6,6]C[6])2(C[6]C[6]HH)(H){1|N<3>,4|C<4>,8|H<1>}	C[6](C[6,6]N[6,6]2H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6,6]N[6,6]2C[6])	108.0293	0.769	3	108.0293	0.591	3	107.9113	0.888	13	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]2C[6])	C[6,6](N[6,6]C[6,6]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<2>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]N[6,6]2H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]N[6,6]2C[6])	109.2505	0.128	2	109.2505	0.016	2	107.9113	0.888	13	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[6,6]-3:N[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[5,6]C[6])(N[6]C[6,6a]H)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[5,6]C[6a]H)(H)2	H(C[6,6]N[6,6]C[6]N[6])	C[6,6](N[6,6]C[5,6]C[6])(N[6]C[6,6a]H)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[5,6]C[6a]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6,6]N[6,6]C[6]N[6])	108.3750	0.000	1	108.3750	0.000	1	108.3750	0.000	1	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]C[6]N[6])	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]N[6,6]C[6]N[6])	106.9480	0.000	1	106.9480	0.000	1	106.9480	0.000	1	108.1903	0.889	71	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:2:1:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HO)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(OH)(H)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	107.9390	0.455	2	107.9390	0.207	2	107.9390	0.207	2	107.8254	0.966	9	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:2:1:	4:	C[6,6]-3:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]H)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]H)(C[6]C[6]HO)(H){6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.6675	0.127	2	108.6675	0.016	2	108.6675	0.016	2	107.8254	0.966	9	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:2:1:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(OH)(H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	106.9310	0.000	1	106.9310	0.000	1	106.9310	0.000	1	107.8254	0.966	9	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:2:1:	4:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6])(N[6,6]C[6]2)(C[6]C[6]HO)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6])(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]N[6,6]C[6]2)	107.5950	0.209	2	107.5950	0.044	2	107.5712	1.668	4	107.8254	0.966	9	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:2:1:	4:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6]N[6,6]O)(N[6,6]C[6]2)(C[6]C[6]HO)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]N[6,6]O)(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	H(C[6,6]N[6,6]C[6]2)	107.5475	2.227	2	107.5475	4.958	2	107.5712	1.668	4	107.8254	0.966	9	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[5a,6]N[5a,6]C[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCO)(H)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]N[5a,6]C[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCO)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	108.7120	0.000	1	108.7120	0.000	1	108.7120	0.000	1	107.5514	1.498	18	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HN)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(NCH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HN)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]2C[6])	106.6650	0.000	1	106.6650	0.000	1	106.6650	0.000	1	107.5514	1.498	18	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HN)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HN)(H){1|O<2>,3|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H){7|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.5280	0.000	1	106.5280	0.000	1	106.5280	0.000	1	107.5514	1.498	18	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(CN[5]O)(H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6]C[6]CH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(CN[5]O)(H){1|C<4>,4|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.3050	1.063	2	108.3050	1.131	2	107.2127	1.535	8	107.5514	1.498	18	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(CCO)(H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(CCO)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	105.3710	0.000	1	105.9030	0.367	3	107.2127	1.535	8	107.5514	1.498	18	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(CCO)(H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(CCO)(H){2|C<3>,4|C<4>}	H(C[6,6]C[6,6a]N[6,6]C[6])	106.1690	0.556	2	105.9030	0.367	3	107.2127	1.535	8	107.5514	1.498	18	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(CHO)(H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(CHO)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.1870	0.000	1	108.1870	0.000	1	107.2127	1.535	8	107.5514	1.498	18	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(COO)(H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(COO)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	107.5980	0.321	2	107.5980	0.103	2	107.2127	1.535	8	107.5514	1.498	18	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HN)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[5,6]C[6a]H)(NOO)(H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HN)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[5,6]C[6a]H)(NOO)(H){2|C<4>,6|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.2605	0.603	2	108.2605	0.364	2	108.2790	0.584	4	107.5514	1.498	18	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HN)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HN)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H){1|H<1>,3|C<4>,4|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.2975	1.177	2	108.2975	1.386	2	108.2790	0.584	4	107.5514	1.498	18	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:S[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]S[6]CH)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(S[6]N[6,6]OO)(COO)(H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]S[6]CH)(H){1|C<4>,1|N<3>,2|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(S[6]N[6,6]OO)(COO)(H){2|C<3>,3|C<4>}	H(C[6,6]C[6,6a]N[6,6]C[6])	106.2490	0.000	1	106.2490	0.000	1	106.2490	0.000	1	107.5514	1.498	18	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	N[5,3x6]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](N[5,3x6]C[5,5,3x6]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6](C[6,6]N[5,3x6]C[6,6a]H)(C[6]N[6]CH)(COO)(H)	H(C[6,6]N[5,3x6]C[6,6a]C[6])	C[6,6](N[5,3x6]C[5,5,3x6]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]N[5,3x6]C[6,6a]H)(C[6]N[6]CH)(COO)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6,6]N[5,3x6]C[6,6a]C[6])	109.7710	0.000	1	109.7710	0.000	1	109.7710	0.000	1	107.5514	1.498	18	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	N[6]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CCO)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CCO)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]N[6])	107.1820	0.000	1	107.1820	0.000	1	107.1820	0.000	1	107.5514	1.498	18	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:C-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(C[6]C[6]CC)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(COO)2	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(C[6]C[6]CC)(H){1|C<4>,2|C<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(COO)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	106.8840	0.000	1	106.8840	0.000	1	106.8840	0.000	1	106.8840	0.000	1	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:4:1:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(CCHH)(H)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(CCHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	106.3020	0.000	1	106.3020	0.000	1	106.8388	0.505	4	107.4400	0.855	8	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:4:1:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	106.6330	0.492	2	106.6330	0.242	2	106.8388	0.505	4	107.4400	0.855	8	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:4:1:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6a]C[6]H)(CCHH)(H)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){3|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6a]C[6]H)(CCHH)(H){1|H<1>,2|C<4>,2|N<3>,3|C<3>}	H(C[6,6]C[5a,6]N[6,6]C[6])	107.7870	0.000	1	107.7870	0.000	1	106.8388	0.505	4	107.4400	0.855	8	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[5,6,6]O)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(CH3)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[5,6,6]O)(C[6]C[6]CH)(H){4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	108.7790	0.000	1	108.7790	0.000	1	108.7790	0.000	1	107.4400	0.855	8	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	107.3620	0.000	1	107.3620	0.000	1	107.7953	0.425	3	107.4400	0.855	8	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]O[6]HH)(CH3)(H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]O[6]HH)(CH3)(H){1|C<4>,1|S<3>,2|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.0120	0.754	2	108.0120	0.568	2	107.7953	0.425	3	107.4400	0.855	8	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:4:2:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CO)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(OH)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CO)(H){1|O<1>,1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(OH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	108.4480	0.000	1	108.9610	0.526	2	108.9610	0.526	2	108.9610	0.526	2	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:4:2:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CO)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(OH)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CO)(H){1|S<4>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(OH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	109.4740	0.000	1	108.9610	0.526	2	108.9610	0.526	2	108.9610	0.526	2	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:3:4:1:	4:4:4:4:	4:	C[6,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O[6])(C[6,6]C[6,6]O)(C[6]C[6]CC)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]O[6])(C[6,6]C[6,6]O)(C[6]C[6]CC)(H){1|H<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6,6]C[6,6]2C[6])	108.7320	0.000	1	108.7320	0.000	1	108.7320	0.000	1	108.7320	0.000	1	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:2:1:	4:2:1:1:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]O[6]HH)(O[6]N[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]N[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6]O[6]HH)(O[6]N[6])(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]N[6])(H)2{1|C<4>,1|N<3>,2|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	111.1165	1.452	2	111.1165	2.107	2	110.0630	3.569	4	110.0630	3.569	4	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:2:1:	4:2:1:1:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]O[6]HH)(O[6]N[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]N[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2)(C[6]O[6]HH)(O[6]N[6])(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]N[6])(H)2{1|C<4>,1|N<3>,2|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	107.5670	0.000	1	109.0095	4.162	2	110.0630	3.569	4	110.0630	3.569	4	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:2:1:	4:2:1:1:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]O[6]HH)(O[6]N[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]N[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2)(C[6]O[6]HH)(O[6]N[6])(H){1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]N[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6,6]C[6,6]C[6]O[6])	110.4520	0.000	1	109.0095	4.162	2	110.0630	3.569	4	110.0630	3.569	4	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	C[6,6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6,6a]O[6]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6,6]C[6,6,6a]C[6]O[6])	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(O[6]C[6])(H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6,6a]O[6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6,6]C[6,6,6a]C[6]O[6])	110.1870	0.000	1	110.1870	0.000	1	110.1870	0.000	1	108.0118	0.437	17	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:O[6,6]-2:H-1:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(O[6,6]C[6,6])(H)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2	H(C[6,6]C[6,6a]O[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(O[6,6]C[6,6])(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2{1|C<4>,4|C<3>}	H(C[6,6]C[6,6a]O[6,6]C[6])	108.5030	0.000	1	108.5030	0.000	1	108.5030	0.000	1	108.0118	0.437	17	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:S[6,6]-2:H-1:	C[6,6]-4:C[6,6a]-3:Br-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]BrH)(S[6,6]C[6,6])(H)	C[6](C[6,6]C[6,6a]S[6,6]H)(C[6,6a]C[6,6a]C[6a])(Br)(H)	H(C[6,6]C[6,6a]S[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]BrH)(S[6,6]C[6,6])(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]S[6,6]H)(C[6,6a]C[6,6a]C[6a])(Br)(H){1|C<4>,1|H<1>,2|C<3>,2|N<2>}	H(C[6,6]C[6,6a]S[6,6]C[6])	107.9572	0.284	6	107.8354	0.123	13	107.8354	0.123	13	108.0118	0.437	17	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:S[6,6]-2:H-1:	C[6,6]-4:C[6,6a]-3:Br-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]BrH)(S[6,6]C[6,6])(H)	C[6](C[6,6]C[6,6a]S[6,6]H)(C[6,6a]C[6,6a]C[6a])(Br)(H)	H(C[6,6]C[6,6a]S[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]BrH)(S[6,6]C[6,6])(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]S[6,6]H)(C[6,6a]C[6,6a]C[6a])(Br)(H){1|C<4>,2|N<2>,3|C<3>}	H(C[6,6]C[6,6a]S[6,6]C[6])	107.7310	0.390	7	107.8354	0.123	13	107.8354	0.123	13	108.0118	0.437	17	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:S[6,6]-2:H-1:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(S[6,6]C[6,6])(H)	C[6](C[6,6]C[6,6a]S[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6,6]C[6,6a]S[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(S[6,6]C[6,6])(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]S[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,2|C<3>,2|N<2>}	H(C[6,6]C[6,6a]S[6,6]C[6])	107.8250	0.239	2	107.8250	0.057	2	107.8250	0.057	2	108.0118	0.437	17	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:2:1:	4:3:2:1:	4:	C[6,6a]-3:C[6]-4:O[6,6]-2:H-1:	C[6,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(O[6,6]C[6,6])(H)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	H(C[6,6]C[6,6a]O[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(O[6,6]C[6,6])(H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6,6]C[6,6a]O[6,6]C[6])	108.2370	0.000	1	108.2370	0.000	1	108.2370	0.000	1	108.2370	0.000	1	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:2:1:	4:3:3:1:	4:	C[6,6]-3:C[6]-4:S[6]-2:H-1:	C[6,6]-4:C[6]-3:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6a]C[6]H)(S[6]C[6,6a])(H)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6]C[6]S[6])	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6a]C[6]H)(S[6]C[6,6a])(H){1|H<1>,7|C<3>}	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]S[6])	107.7860	0.000	1	107.7860	0.000	1	107.7860	0.000	1	108.0677	0.069	3	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:2:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:O[6,6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(O[6,6]C[6,6])(H)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H)	H(C[6,6]C[6,6a]O[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(O[6,6]C[6,6])(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6,6]C[6,6a]O[6,6]C[6])	108.2085	0.138	2	108.2085	0.019	2	108.2085	0.019	2	108.0677	0.069	3	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[5,6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6,6a]O[6]H)(C[5,6]C[5]O[5]O[6])(H)2	H(C[6,6]C[6,6,6a]C[6]O[6])	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[5,6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|O<2>,3|C<3>}	C[6](C[6,6]C[6,6,6a]O[6]H)(C[5,6]C[5]O[5]O[6])(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6,6a]C[6]O[6])	108.0755	0.370	2	108.0755	0.137	2	108.4930	0.591	3	109.4264	2.084	37	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[5,6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6,6a]O[6]H)(C[5,6]C[5]O[5]O[6])(H)2	H(C[6,6]C[6,6,6a]C[6]O[6])	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[5,6]HH)(O[6]C[6])(H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6,6a]O[6]H)(C[5,6]C[5]O[5]O[6])(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6,6a]C[6]O[6])	109.3280	0.000	1	109.3280	0.000	1	108.4930	0.591	3	109.4264	2.084	37	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(O[6,6]C[4x6])(H)	C[6](C[3x6]C[4x6]O[6,6]H)(C[6,6]C[6,6]O[6,6]H)(H)2	H(C[6,6]C[6,6]O[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(O[6,6]C[4x6])(H){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[3x6]C[4x6]O[6,6]H)(C[6,6]C[6,6]O[6,6]H)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6,6]C[6,6]O[6,6]C[6])	107.8040	0.000	1	107.8040	0.000	1	107.8040	0.000	1	109.4264	2.084	37	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]2)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]HH)(O[6]C[6])(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]2)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.7890	0.000	1	108.7890	0.000	1	108.7890	0.000	1	109.4264	2.084	37	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]N[6])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]CC)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6,6]N[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,5|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]CC)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	110.5320	0.000	1	110.5320	0.000	1	109.8405	1.069	23	109.4264	2.084	37	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.7273	0.506	3	108.9122	1.037	6	109.8405	1.069	23	109.4264	2.084	37	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	110.8230	0.000	1	108.9122	1.037	6	109.8405	1.069	23	109.4264	2.084	37	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H){4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.2340	0.011	2	108.9122	1.037	6	109.8405	1.069	23	109.4264	2.084	37	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.9920	0.000	1	108.9920	0.000	1	109.8405	1.069	23	109.4264	2.084	37	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.6358	0.918	4	110.5093	0.278	12	109.8405	1.069	23	109.4264	2.084	37	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.4370	0.099	2	110.5093	0.278	12	109.8405	1.069	23	109.4264	2.084	37	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.4492	0.291	6	110.5093	0.278	12	109.8405	1.069	23	109.4264	2.084	37	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.6190	0.000	2	109.6190	0.000	2	109.8405	1.069	23	109.4264	2.084	37	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	107.9850	0.000	1	107.9850	0.000	1	109.8405	1.069	23	109.4264	2.084	37	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:O[6,6]-2:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(O[6,6]C[4x6])(H)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[3x6]C[4x6]O[6,6]O)(H)2	H(C[6,6]C[6,6a]O[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(O[6,6]C[4x6])(H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6a]O[6,6]H)(C[3x6]C[4x6]O[6,6]O)(H)2{1|O<2>,2|C<4>,3|C<3>}	H(C[6,6]C[6,6a]O[6,6]C[6])	107.6990	0.021	2	107.6990	0.000	2	107.6990	0.000	2	109.4264	2.084	37	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:N[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)(N[6]C[6,6])(H)	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]C[6]N[6])	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)(N[6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]N[6,6]C[6]N[6])	107.6895	0.172	2	107.6895	0.030	2	107.6895	0.030	2	109.4264	2.084	37	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[5,6,6]O)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]C[6]O[6])	C[6,6](N[6,6]C[5,6,6]O)(C[6]C[6]HH)(O[6]C[6])(H){3|C<4>,4|H<1>}	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]N[6,6]C[6]O[6])	108.4650	0.000	1	108.4650	0.000	1	109.9194	6.871	5	109.4264	2.084	37	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6,6]N[6,6]C[6]O[6])	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6a]C[6]H)(H)2{1|H<1>,6|C<3>}	H(C[6,6]N[6,6]C[6]O[6])	108.9160	0.000	1	108.9160	0.000	1	109.9194	6.871	5	109.4264	2.084	37	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]N[6])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]C[6]O[6])	C[6,6](N[6,6]C[6]N[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<2>,1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6,6]N[6,6]C[6]O[6])	110.7387	3.343	3	110.7387	11.174	3	109.9194	6.871	5	109.4264	2.084	37	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HO)(O[6]C[6])(H){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	111.0590	0.000	1	111.0590	0.000	1	109.7580	0.882	4	109.7580	0.882	4	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	108.8170	0.000	1	108.8170	0.000	1	109.7580	0.882	4	109.7580	0.882	4	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(O[6]C[6])(H){2|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.5780	0.059	2	109.5780	0.004	2	109.7580	0.882	4	109.7580	0.882	4	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:2:1:	4:4:3:1:	4:	C[6,6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6,6a]O[6]H)(C[6]O[6]CO)(CNO)(H)	H(C[6,6]C[6,6,6a]C[6]O[6])	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)(O[6]C[6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6,6a]O[6]H)(C[6]O[6]CO)(CNO)(H){1|C<4>,2|C<3>}	H(C[6,6]C[6,6,6a]C[6]O[6])	108.8310	0.000	1	108.8310	0.000	1	109.2265	0.313	2	108.8640	0.551	3	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:2:1:	4:4:3:1:	4:	C[6,6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6,6a]O[6]H)(C[6]O[6]CO)(COO)(H)	H(C[6,6]C[6,6,6a]C[6]O[6])	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)(O[6]C[6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6,6a]O[6]H)(C[6]O[6]CO)(COO)(H){1|C<4>,2|C<3>}	H(C[6,6]C[6,6,6a]C[6]O[6])	109.6220	0.000	1	109.6220	0.000	1	109.2265	0.313	2	108.8640	0.551	3	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:2:1:	4:4:3:1:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O[6])(C[6]C[5,6]CH)(O[6]C[6])(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]O[6]H)(COO)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]O[6])(C[6]C[5,6]CH)(O[6]C[6])(H){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]O[6]H)(COO)(H){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	108.1390	0.000	1	108.1390	0.000	1	108.1390	0.000	1	108.8640	0.551	3	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	3:4:1:1:	4:	C[3x6]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[3x6]C[6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[3x6]C[6]N[6])	108.1710	0.000	1	108.1710	0.000	1	107.9635	0.086	2	107.8734	0.185	8	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	3:4:1:1:	4:	C[3x6]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[5,3x6]C[6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[3x6]C[6]N[6])	107.7560	0.000	1	107.7560	0.000	1	107.9635	0.086	2	107.8734	0.185	8	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	3:4:1:1:	4:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]C)(H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(C[6,6]C[6,6]C[6]N[6])	107.4957	0.284	3	107.4957	0.081	3	107.4957	0.081	3	107.8734	0.185	8	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(N[6,6]C[6]2)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6a]N[6,6]H)(H)2	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(N[6,6]C[6]2)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6a]N[6,6]H)(H)2{1|N<3>,2|C<4>,4|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	107.7510	0.000	1	107.7510	0.000	1	107.7510	0.000	1	107.8734	0.185	8	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C[4])(C[6]C[5a,6]HH)(C[6]N[6]O)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]C[4])(C[6]C[5a,6]HH)(C[6]N[6]O)(H){2|H<1>,3|C<3>,3|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2{1|O<1>,2|C<3>,2|C<4>,2|N<3>}	H(C[6,6]N[6,6]C[6]2)	108.4860	0.000	1	108.4860	0.000	1	108.4860	0.000	1	107.8734	0.185	8	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:C[6,6]-4:Br-1:H-1:	C[6,6]-4:	C[6,6](N[6]C[6,6]C[6a])(C[6]C[6,6a]BrH)(N[6,6]C[6,6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]N[6]H)(Br)(H)	H(C[6,6]N[6,6]C[6]N[6])	C[6,6](N[6]C[6,6]C[6a])(C[6]C[6,6a]BrH)(N[6,6]C[6,6]C)(H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]N[6]H)(Br)(H){1|H<1>,2|C<4>,4|C<3>}	H(C[6,6]N[6,6]C[6]N[6])	108.3360	0.000	1	108.3360	0.000	1	108.3360	0.000	1	107.8734	0.185	8	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:2:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]H)(C[6]O[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]H)(C[6]O[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3400	0.000	1	108.3400	0.000	1	108.3400	0.000	1	108.0900	2.345	6	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:2:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]N[6,6]C)(C[6]O[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]N[6,6]C)(C[6]O[6]HH)(C[6]C[6]H)(H){1|H<1>,2|C<4>}	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	110.5030	0.000	1	110.5030	0.000	1	110.5030	0.000	1	108.0900	2.345	6	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:2:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:S[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]S[6]HH)(C[6]N[6]O)(H)	C[6](C[6,6]N[6,6]C[6]H)(S[6]C[6])(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]S[6]HH)(C[6]N[6]O)(H){1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]N[6,6]C[6]H)(S[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.4243	1.164	4	107.4243	1.356	4	107.4243	1.356	4	108.0900	2.345	6	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6])(H)2	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6])(H)2{1|N<3>,3|C<3>,3|C<4>}	H(C[6,6]C[5a,6]N[6,6]C[6])	109.3070	0.000	1	109.3070	0.000	1	109.3070	0.000	1	108.1556	0.706	30	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:N[5,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]N[5,6]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(N[5,6]C[5,5,6]C[5])(H)2	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]N[5,6]HH)(N[6,6]C[6]2)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(N[5,6]C[5,5,6]C[5])(H)2{1|N<3>,1|O<1>,2|C<3>,4|C<4>}	H(C[6,6]C[5a,6]N[6,6]C[6])	108.8840	0.000	1	108.8840	0.000	1	108.8840	0.000	1	108.1556	0.706	30	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6,6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6,6]C[6,6,6a]C[6]N[6])	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,5|C<3>}	H(C[6,6]C[6,6,6a]C[6]N[6])	107.0177	1.344	3	107.5254	1.409	5	107.5254	1.409	5	108.1556	0.706	30	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6,6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6,6]C[6,6,6a]C[6]N[6])	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|O<2>,2|C<4>,4|C<3>}	H(C[6,6]C[6,6,6a]C[6]N[6])	108.2870	0.297	2	107.5254	1.409	5	107.5254	1.409	5	108.1556	0.706	30	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]O)(H){1|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H)2{1|H<1>,2|O<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	109.1250	0.000	1	109.1250	0.000	1	109.1250	0.000	1	108.1556	0.706	30	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6]C[6])(H)2	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6]C[6])(H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	107.5570	0.000	1	107.5570	0.000	1	107.5570	0.000	1	108.1556	0.706	30	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.2955	0.216	2	108.2955	0.047	2	108.3008	0.266	19	108.1556	0.706	30	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,5|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.0720	0.613	6	108.3041	0.329	15	108.3008	0.266	19	108.1556	0.706	30	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|Cl<1>,2|C<4>,4|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.1810	0.000	1	108.3041	0.329	15	108.3008	0.266	19	108.1556	0.706	30	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.4935	0.549	8	108.3041	0.329	15	108.3008	0.266	19	108.1556	0.706	30	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2{2|C<4>,4|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.0250	0.000	1	108.2815	0.132	2	108.3008	0.266	19	108.1556	0.706	30	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|N<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2{2|C<4>,4|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.5380	0.000	1	108.2815	0.132	2	108.3008	0.266	19	108.1556	0.706	30	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:N[5,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(N[5,6]C[5,6]C[5])(H)2	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(N[6,6]C[6]2)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(N[5,6]C[5,6]C[5])(H)2{1|O<1>,3|C<3>,4|C<4>}	H(C[6,6]C[6,6a]N[6,6]C[6])	106.0440	0.000	1	106.0440	0.000	1	106.0440	0.000	1	108.1556	0.706	30	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	N[5a,6]-3:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]HH)(C[6,6]C[6]2)(H)	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6,6]C[6,6]C[6])(H)2	H(C[6,6]N[5a,6]C[6,6]C[6])	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]HH)(C[6,6]C[6]2)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6,6]C[6,6]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,4|C<3>}	H(C[6,6]N[5a,6]C[6,6]C[6])	108.4090	0.000	1	108.4090	0.000	1	108.4090	0.000	1	108.1556	0.706	30	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(N[6,6]C[6]2)(H){1|C<4>,4|H<1>,7|C<3>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	106.9990	0.000	1	106.9990	0.000	1	106.9990	0.000	1	106.9990	0.000	1	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:3:3:4:	4:	C[6,6a]-3:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(C[6,6]C[6]2)(H){1|H<1>,2|O<1>,2|O<2>,5|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH){2|H<1>,6|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.0110	0.000	1	106.0110	0.000	1	106.0110	0.000	1	106.0110	0.000	1	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(N[6,6]C[6]2)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H){1|H<1>,2|C<4>,4|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.3440	0.000	1	108.3440	0.000	1	108.3440	0.000	1	108.3440	0.000	1	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[5a,6,6]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6,6]C[5a,6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5a,6,6]C[6]N[6])	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[5a,6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6,6]C[5a,6,6]C[6]N[6])	109.0690	0.000	1	109.0690	0.000	1	109.3665	0.177	2	107.8733	1.684	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[5a,6,6]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)(N[6]C[6]O)(H)	C[6](C[6,6]C[5a,6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5a,6,6]C[6]N[6])	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)(N[6]C[6]O)(H){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[5a,6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	H(C[6,6]C[5a,6,6]C[6]N[6])	109.6640	0.000	1	109.6640	0.000	1	109.3665	0.177	2	107.8733	1.684	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|C<4>}	H(C[6,6]C[5a,6]N[6,6]C[6])	109.5080	0.000	1	109.5080	0.000	1	109.3700	0.087	3	107.8733	1.684	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]N[5]H)(H)2	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]N[5]H)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	H(C[6,6]C[5a,6]N[6,6]C[6])	109.3010	0.380	2	109.3010	0.145	2	109.3700	0.087	3	107.8733	1.684	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,1|S<4>,2|C<4>,4|C<3>}	H(C[6,6]C[5a,6]N[6,6]C[6])	110.2920	0.000	1	107.8341	1.172	10	107.8341	1.172	10	107.8733	1.684	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){1|S<4>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5a,6]N[6,6]C[6])	107.0065	0.301	2	107.8341	1.172	10	107.8341	1.172	10	107.8733	1.684	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	H(C[6,6]C[5a,6]N[6,6]C[6])	108.3865	0.039	2	107.8341	1.172	10	107.8341	1.172	10	107.8733	1.684	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	108.2720	0.000	1	107.8341	1.172	10	107.8341	1.172	10	107.8733	1.684	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	H(C[6,6]C[5a,6]N[6,6]C[6])	107.8620	0.000	1	107.8341	1.172	10	107.8341	1.172	10	107.8733	1.684	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	H(C[6,6]C[5a,6]N[6,6]C[6])	106.7700	0.000	1	107.8341	1.172	10	107.8341	1.172	10	107.8733	1.684	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){3|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	H(C[6,6]C[5a,6]N[6,6]C[6])	107.1795	0.499	2	107.8341	1.172	10	107.8341	1.172	10	107.8733	1.684	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]S[6])(C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]S[6])(C[6]C[5,6]HH)(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|O<1>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|N<2>,1|S<4>,2|C<4>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.7560	0.000	1	107.7560	0.000	1	107.7560	0.000	1	107.8733	1.684	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]HH)(C[6]O[6]O)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|O<2>,2|O<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	109.7425	0.234	2	109.7425	0.055	2	108.2430	2.533	20	107.8733	1.684	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.2720	0.000	1	107.2720	0.000	1	108.2430	2.533	20	107.8733	1.684	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	104.4750	0.953	2	104.4750	0.909	2	108.2430	2.533	20	107.8733	1.684	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	109.0300	0.000	1	109.0300	0.000	1	108.2430	2.533	20	107.8733	1.684	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{2|C<4>,3|O<1>}	H(C[6,6]C[6,6]C[6]2)	109.5120	0.035	2	109.5120	0.001	2	108.2430	2.533	20	107.8733	1.684	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(C[6,6]C[6,6]C[6]2)	109.9015	0.149	2	109.9015	0.022	2	108.2430	2.533	20	107.8733	1.684	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.6446	0.449	5	108.2065	0.505	8	108.2430	2.533	20	107.8733	1.684	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.8100	0.000	1	108.2065	0.505	8	108.2430	2.533	20	107.8733	1.684	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.3095	0.042	2	108.2065	0.505	8	108.2430	2.533	20	107.8733	1.684	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SS)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|S<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SS)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.6490	0.000	1	107.6490	0.000	1	108.2430	2.533	20	107.8733	1.684	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(H){4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9960	0.000	1	107.9960	0.000	1	108.2430	2.533	20	107.8733	1.684	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(N[6]C[6]N)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(N[6]C[6]N)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6,6]C[6,6]C[6]N[6])	109.5020	0.000	1	109.5020	0.000	1	107.1680	10.895	2	107.8733	1.684	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	104.8340	0.000	1	104.8340	0.000	1	107.1680	10.895	2	107.8733	1.684	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[3,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[3,6]C[3,6]O[3]C)(H)2	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(N[6,6]C[6]2)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[3,6]C[3,6]O[3]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	105.8420	0.000	1	105.8420	0.000	1	105.8420	0.000	1	107.8733	1.684	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]N[5]H)(H)2	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]N[5]H)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.7010	0.000	1	107.9945	0.998	2	107.9945	0.998	2	107.8733	1.684	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]N[5]H)(H)2	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H){1|N<4>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]N[5]H)(H)2{1|H<1>,1|O<2>,3|C<3>,4|C<4>}	H(C[6,6]C[6,6a]N[6,6]C[6])	107.2880	0.000	1	107.9945	0.998	2	107.9945	0.998	2	107.8733	1.684	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	N[3x6]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]N[3x6])(C[6]C[6]HH)(N[6]N[6]H)(H)	C[6](C[6,6]N[3x6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[3x6]C[6]N[6])	C[6,6](N[3x6]C[6,6]N[3x6])(C[6]C[6]HH)(N[6]N[6]H)(H){1|N<3>,3|C<4>,4|H<1>}	C[6](C[6,6]N[3x6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,3|H<1>}	H(C[6,6]N[3x6]C[6]N[6])	108.2220	1.336	4	108.2220	1.786	4	108.2220	1.786	4	107.8733	1.684	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	N[5,6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6,6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]N[5,6,6]C[6]H)(C[6,6]C[6]S[6]2)(H)2	H(C[6,6]N[5,6,6]C[6]2)	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6,6]HH)(C[6]C[6]O)(H){2|S<2>,4|C<4>,4|H<1>}	C[6](C[6,6]N[5,6,6]C[6]H)(C[6,6]C[6]S[6]2)(H)2{1|O<1>,2|H<1>,5|C<4>}	H(C[6,6]N[5,6,6]C[6]2)	107.2910	0.000	2	107.2910	0.000	2	107.2910	0.000	2	107.8733	1.684	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.8340	0.000	1	108.8340	0.000	1	107.2717	0.432	19	107.8733	1.684	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.3377	0.404	12	107.2470	0.258	15	107.2717	0.432	19	107.8733	1.684	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6,6]N[6,6]C[6]2)	106.8843	0.813	3	107.2470	0.258	15	107.2717	0.432	19	107.8733	1.684	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]S[6]HH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H){1|O<1>,1|S<2>,2|C<4>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]S[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[6,6]N[6,6]C[6]2)	106.8743	0.787	3	106.8743	0.619	3	107.2717	0.432	19	107.8733	1.684	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]C[6]N[6])	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]N[6,6]C[6]N[6])	107.9100	0.000	1	107.9100	0.000	1	107.9100	0.000	1	107.8733	1.684	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:4:2:1:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]HO)(C[6]C[6,6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]HO)(C[6]C[6,6]H)(H){6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(OC)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3760	0.000	1	108.3760	0.000	1	108.3760	0.000	1	108.4014	0.156	8	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:4:2:1:	4:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HO)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HO)(N[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H){1|O<2>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]N[6])	108.2543	0.166	6	108.2543	0.028	6	108.2543	0.028	6	108.4014	0.156	8	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:4:2:1:	4:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[5,6,6]H)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]N[5,6]CH)(CN)(H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[5,6,6]H)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]N[5,6]CH)(CN)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]N[6,6]C[6]2)	109.3090	0.000	1	109.3090	0.000	1	109.3090	0.000	1	108.4014	0.156	8	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CNO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CNO)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.0450	0.000	1	106.0450	0.000	1	106.0450	0.000	1	107.1725	2.543	2	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.3000	0.000	1	108.3000	0.000	1	108.3000	0.000	1	107.1725	2.543	2	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:4:3:3:	4:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CCN)(COO)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CCN)(COO){1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]N[6])	105.9450	0.000	1	105.9450	0.000	1	105.9450	0.000	1	105.9450	0.000	1	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:4:4:2:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]S[6])(C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OC)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]S[6])(C[6]C[6]CO)(C[6]C[6]H)(H){3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OC){1|S<2>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.5310	0.000	1	107.5310	0.000	1	107.5310	0.000	1	107.5310	0.000	1	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:4:4:4:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5670	0.000	1	108.5685	0.000	2	108.5685	0.000	2	108.5685	0.000	2	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:3:1:	4:4:4:4:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(C[6,6]C[6,6]C[6]2)	108.5700	0.000	1	108.5685	0.000	2	108.5685	0.000	2	108.5685	0.000	2	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[5a,6]C[6,6]H)(H)2	H(C[6,6]C[5a,6]C[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[5a,6]C[6,6]H)(H)2{1|C<4>,2|H<1>,2|N<3>,3|C<3>}	H(C[6,6]C[5a,6]C[6,6]C[6])	109.1788	0.407	4	109.1788	0.166	4	109.1788	0.166	4	108.8474	0.673	5	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	C[6,6]-3:C[6]-4:N[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]CH)(H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]N[6])	107.5220	0.000	1	107.5220	0.000	1	107.5220	0.000	1	108.8474	0.673	5	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:2:1:1:	4:	C[5a,6]-3:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]N[5a,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6]O[6]HH)(H)	C[6](C[6,6]C[5a,6]C[3x6]H)(O[6]C[6])(H)2	H(C[6,6]C[5a,6]C[3x6]C[6])	C[6,6](C[5a,6]N[5a,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6]O[6]HH)(H){2|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5a,6]C[3x6]H)(O[6]C[6])(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[5a,6]C[3x6]C[6])	110.2530	0.000	1	110.2530	0.000	1	110.2530	0.000	1	108.5388	2.193	18	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:2:1:1:	4:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]CH)(C[6]O[6]HH)(H)	C[6](C[6,6]C[5a,6]C[6,6]H)(O[6]C[6])(H)2	H(C[6,6]C[5a,6]C[6,6]C[6])	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]CH)(C[6]O[6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6]C[5a,6]C[6,6]H)(O[6]C[6])(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[5a,6]C[6,6]C[6])	109.2450	0.000	1	109.2450	0.000	1	109.2450	0.000	1	108.5388	2.193	18	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:2:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(C[6]O[6]HH)(H){1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2{1|N<2>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	105.1855	0.537	2	105.1855	0.288	2	107.0590	2.172	6	108.5388	2.193	18	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:2:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.8590	0.000	1	107.9958	0.014	4	107.0590	2.172	6	108.5388	2.193	18	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:2:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.0413	0.095	3	107.9958	0.014	4	107.0590	2.172	6	108.5388	2.193	18	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:2:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]3)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]3)(C[6]O[6]HH)(H){3|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(O[6]C[6])(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.7390	0.000	1	108.7390	0.000	1	108.7390	0.000	1	108.5388	2.193	18	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:2:1:1:	4:	N[6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]HH)(H)	C[6](C[6,6]C[5,6]N[6,6]H)(O[6]C[6])(H)2	H(C[6,6]C[5,6]N[6,6]C[6])	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[6](C[6,6]C[5,6]N[6,6]H)(O[6]C[6])(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[5,6]N[6,6]C[6])	110.5670	0.000	1	110.5670	0.000	1	110.5670	0.000	1	108.5388	2.193	18	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:2:1:1:	4:	N[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]3)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]3)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,2|N<3>,2|O<1>,4|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(O[6]C[6])(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]N[6,6]C[6])	108.2470	0.000	1	108.2470	0.000	1	108.2470	0.000	1	108.5388	2.193	18	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:2:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]O[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.2910	0.038	2	108.2910	0.001	2	109.1847	0.448	7	108.5388	2.193	18	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:2:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2{3|C<4>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	109.7060	0.044	2	109.7113	0.001	3	109.1847	0.448	7	108.5388	2.193	18	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:2:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2{3|C<4>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	109.7220	0.000	1	109.7113	0.001	3	109.1847	0.448	7	108.5388	2.193	18	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:2:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]S[6])(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]S[6])(C[6]C[6]HH)(C[6]O[6]HH)(H){1|N<2>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2{1|S<4>,2|C<4>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	109.2885	0.480	2	109.2885	0.231	2	109.1847	0.448	7	108.5388	2.193	18	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:2:2:1:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]O[6]HO)(H)	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(OC)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]O[6]HO)(H){1|O<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(OC)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	109.7880	0.000	1	109.7880	0.000	1	109.7880	0.000	1	109.7880	0.000	1	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:2:4:1:	4:	C[3x6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6])(C[6]C[3x6]HO)(C[6]O[6]CH)(H)	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6])(CH3)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[4x6]C[6])(C[6]C[3x6]HO)(C[6]O[6]CH)(H){1|H<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6])(CH3)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.6740	0.000	1	107.6740	0.000	1	107.6740	0.000	1	107.4045	0.713	4	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:2:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]O[6]CH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(O[6]C[6])(CCHH)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]O[6]CH)(H){1|C<4>,1|O<2>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(O[6]C[6])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.4200	0.000	1	108.4200	0.000	1	108.4200	0.000	1	107.4045	0.713	4	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:2:4:1:	4:	N[6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]CH)(H)	C[6](C[6,6]C[5,6]N[6,6]H)(O[6]C[6])(CH3)(H)	H(C[6,6]C[5,6]N[6,6]C[6])	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]CH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[6](C[6,6]C[5,6]N[6,6]H)(O[6]C[6])(CH3)(H){1|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[5,6]N[6,6]C[6])	107.0850	0.000	1	107.0850	0.000	1	107.0850	0.000	1	107.4045	0.713	4	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:2:4:1:	4:	O[6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:	C[6,6](O[6,6]N[6,6]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]CH)(H)	C[6](C[6,6]C[5,6]O[6,6]H)(O[6]C[6])(CH3)(H)	H(C[6,6]C[5,6]O[6,6]C[6])	C[6,6](O[6,6]N[6,6]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]CH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[6](C[6,6]C[5,6]O[6,6]H)(O[6]C[6])(CH3)(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	H(C[6,6]C[5,6]O[6,6]C[6])	106.4390	0.000	1	106.4390	0.000	1	106.4390	0.000	1	107.4045	0.713	4	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]N[5])(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]N[5])(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]H)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	110.4050	0.636	2	110.4050	0.405	2	110.4050	0.405	2	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[3x6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[4x6]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|H<1>,1|I<1>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.3460	0.000	1	108.3460	0.000	1	108.3460	0.000	1	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[5a,6]C[6,6]C[6])	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6,6]C[5a,6]C[6,6]C[6])	107.3030	0.055	2	107.3030	0.003	2	107.3030	0.003	2	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6,6a]C[6]H)(N[6]C[6,6]C[6])(H)2	H(C[6,6]C[6,6,6a]C[6]2)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6,6a]C[6]H)(N[6]C[6,6]C[6])(H)2{1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6,6a]C[6]2)	107.6430	0.000	1	107.6430	0.000	1	107.6430	0.000	1	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6,6a]-3:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6,6]C[6,6,6a]C[6]N[6])	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6,6a]C[6]N[6])	109.1260	0.000	1	109.1260	0.000	1	109.1260	0.000	1	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]O[6]O)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]O[6]O)(H)2{1|C<3>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	106.8880	0.532	2	106.8880	0.283	2	106.8880	0.283	2	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(N[6]C[6]C)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	107.3490	0.000	1	107.3490	0.000	1	107.3490	0.000	1	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]HO)(H){1|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.3025	0.156	2	108.3025	0.024	2	108.3025	0.024	2	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]ClS)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]ClS)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,1|S<4>}	H(C[6,6]C[6,6]C[6]2)	108.9080	0.000	1	108.9080	0.000	1	106.8789	2.585	10	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]S)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)2(H){1|S<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.7070	2.926	2	105.7070	8.562	2	106.8789	2.585	10	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(C[6]O[6]HH)(H){1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2{1|C<3>,1|N<2>,1|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.3590	0.448	2	105.3590	0.201	2	106.8789	2.585	10	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0500	0.000	1	108.0500	0.000	1	106.8789	2.585	10	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2617	0.259	3	107.4248	0.151	4	106.8789	2.585	10	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.9140	0.000	1	107.4248	0.151	4	106.8789	2.585	10	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CH)(C[6]N[6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.2380	0.000	1	109.2380	0.000	1	108.6535	0.683	2	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0690	0.000	1	108.0690	0.000	1	108.6535	0.683	2	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:Br-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]BrH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]N[6a])(Br)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]BrH)(H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]N[6a])(Br)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.2230	0.284	2	109.2230	0.081	2	109.2828	0.043	8	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:Br-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]BrH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(Br)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]BrH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(Br)(H){1|C<4>,2|H<1>,2|N<2>,3|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.3027	0.206	6	109.3027	0.042	6	109.2828	0.043	8	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.3667	0.088	4	108.3667	0.008	4	108.3901	0.062	10	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,2|C<3>,2|N<2>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.5715	0.250	4	108.4057	0.106	6	108.3901	0.062	10	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,2|H<1>,2|N<2>,3|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.0740	0.103	2	108.4057	0.106	6	108.3901	0.062	10	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[5,6]O)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[5,6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.5800	0.000	1	109.5800	0.000	1	108.3039	1.913	10	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]S)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.6895	0.363	2	109.6895	0.132	2	108.3039	1.913	10	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]O)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.3020	0.000	1	109.3020	0.000	1	108.3039	1.913	10	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]O)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	105.3510	0.000	1	105.3510	0.000	1	108.3039	1.913	10	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.3555	0.452	2	108.3555	0.204	2	108.3039	1.913	10	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.3830	0.000	1	107.4645	0.013	2	108.3039	1.913	10	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.5460	0.000	1	107.4645	0.013	2	108.3039	1.913	10	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]O)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.7870	0.000	1	107.7870	0.000	1	108.3039	1.913	10	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[5,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]N[5,6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(N[5,6]C[5,6]C[5])(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]N[5,6]HH)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(N[5,6]C[5,6]C[5])(H)2{1|O<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.5003	0.460	3	106.5003	0.211	3	106.5003	0.211	3	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6,6]C[6,6]C[6])(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.3690	0.000	1	108.3690	0.000	1	108.3690	0.000	1	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6]C)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.6280	0.000	1	109.6280	0.000	1	109.6280	0.000	1	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:N[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2H)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2H)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	107.8762	0.676	4	107.8762	0.456	4	107.8762	0.456	4	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	N[3x6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]N[3x6]C[6]2)	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]N[3x6]C[6]2)	108.8690	0.000	1	108.8690	0.000	1	108.8690	0.000	1	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	N[5a,6]-3:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](N[5a,6]C[5,5a]C[5a,6])(C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)	C[6](C[6,6]N[5a,6]C[3x6]H)(C[6]C[6]O)(H)2	H(C[6,6]N[5a,6]C[3x6]C[6])	C[6,6](N[5a,6]C[5,5a]C[5a,6])(C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]N[5a,6]C[3x6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6,6]N[5a,6]C[3x6]C[6])	107.7720	0.000	1	107.7720	0.000	1	107.7720	0.000	1	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	N[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](N[5a,6]C[5,5a]C[5a,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]O)(H)2	H(C[6,6]N[5a,6]C[6,6]C[6])	C[6,6](N[5a,6]C[5,5a]C[5a,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6,6]N[5a,6]C[6,6]C[6])	107.9940	0.000	1	107.9940	0.000	1	108.4440	0.405	2	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	N[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]O)(H)2	H(C[6,6]N[5a,6]C[6,6]C[6])	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(C[6,6]N[5a,6]C[6,6]C[6])	108.8940	0.000	1	108.8940	0.000	1	108.4440	0.405	2	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	N[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]OO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]OO)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]N[6,6]C[6])	108.6025	0.364	2	108.6025	0.133	2	108.1667	0.297	4	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	N[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.7310	0.000	2	107.7310	0.000	2	108.1667	0.297	4	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2{3|H<1>,4|C<4>}	H(C[6,6]N[6,6]C[6]2)	107.8140	0.000	1	107.8140	0.000	1	107.8714	0.418	14	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]MoH)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]MoH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2{1|Mo<7>,1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.4680	0.000	1	108.4680	0.000	1	107.8714	0.418	14	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)2(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.9683	0.115	6	107.9683	0.013	6	107.8714	0.418	14	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]O)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]O)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2{1|O<1>,2|C<4>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.8325	0.071	2	108.8325	0.005	2	107.8714	0.418	14	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	106.8563	0.060	3	106.8563	0.004	3	107.8714	0.418	14	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]C)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.8730	0.000	1	107.8730	0.000	1	107.8714	0.418	14	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]S)(C[6]N[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]S)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]S)(C[6]N[6]HH)2(H){1|H<1>,2|C<4>,2|S<4>}	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,1|S<4>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.5021	0.157	8	108.5021	0.025	8	108.5021	0.025	8	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	N[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6a]C[6,6]H)(C[6]C[6]O)(H)2	H(C[6,6]N[6,6a]C[6,6]C[6])	C[6,6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6]N[6,6a]C[6,6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6,6]N[6,6a]C[6,6]C[6])	108.0140	0.000	1	108.0140	0.000	1	108.0140	0.000	1	108.1194	1.203	92	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:2:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])(H){3|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4300	0.000	1	107.4300	0.000	1	107.4300	0.000	1	108.2138	0.511	4	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:2:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H){1|O<2>,2|H<1>,7|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,3|H<1>,6|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.8180	0.092	2	108.8180	0.008	2	108.8180	0.008	2	108.2138	0.511	4	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:2:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(OC)(H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(OC)(H){3|C<4>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.7890	0.000	1	107.7890	0.000	1	107.7890	0.000	1	108.2138	0.511	4	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:3:1:	4:	C[5a,6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	H(C[6,6]C[5a,6,6]C[6]2)	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6]C[5a,6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	H(C[6,6]C[5a,6,6]C[6]2)	108.5880	0.000	1	108.5880	0.000	1	108.5880	0.000	1	108.2086	0.756	19	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:3:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|P<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6a]C[6a]2)(H){1|B<4>,2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9320	0.000	1	106.9320	0.000	1	106.9320	0.000	1	108.2086	0.756	19	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:3:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9800	0.000	1	106.9800	0.000	1	106.9800	0.000	1	108.2086	0.756	19	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:3:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.2110	0.000	1	107.2110	0.000	1	107.2110	0.000	1	108.2086	0.756	19	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6]CH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]C[6])(CC[6a]O)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6]CH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]C[6])(CC[6a]O)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.2965	0.202	2	109.2965	0.041	2	109.2965	0.041	2	108.2086	0.756	19	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.7770	0.000	1	108.7770	0.000	1	108.9707	0.115	3	108.2086	0.756	19	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.3620	0.000	1	109.0675	0.173	2	108.9707	0.115	3	108.2086	0.756	19	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.7730	0.000	1	109.0675	0.173	2	108.9707	0.115	3	108.2086	0.756	19	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6]C[6,6a]C[6a]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6]C[6,6a]C[6a]H)(H){1|N<3>,2|H<1>,8|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,7|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.9630	0.252	2	108.9630	0.063	2	108.9630	0.063	2	108.2086	0.756	19	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:N-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HN)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NCH)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HN)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NCH)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.3955	0.480	2	108.3955	0.231	2	108.3955	0.231	2	108.2086	0.756	19	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]O)(CC[6a]O)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]O)(CC[6a]O)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.2550	0.000	1	107.2550	0.000	1	107.2550	0.000	1	108.2086	0.756	19	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(H){1|N<3>,2|H<1>,8|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.6600	0.495	3	107.6600	0.245	3	107.5473	0.214	4	108.2086	0.756	19	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6,6a]S)(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(H){1|N<3>,1|S<4>,2|H<1>,7|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6,6a]S)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.2090	0.000	1	107.2090	0.000	1	107.5473	0.214	4	108.2086	0.756	19	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:3:1:	4:	N[3x6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]O)(COO)(H)	H(C[6,6]N[3x6]C[6]2)	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]O)(COO)(H){3|C<4>,4|H<1>}	H(C[6,6]N[3x6]C[6]2)	108.5870	0.000	1	108.5870	0.000	1	108.5870	0.000	1	108.2086	0.756	19	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CH3)(H)	H(C[6,6]C[5a,6]C[6,6]C[6])	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[5a,6]C[6,6]C[6])	109.4200	0.000	1	109.4200	0.000	1	109.4200	0.000	1	108.0452	2.984	12	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.8835	0.296	2	105.8835	0.088	2	105.8835	0.088	2	108.0452	2.984	12	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:S-4:Cl-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]ClS)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(SC[6a]OO)(Cl)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]ClS)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(SC[6a]OO)(Cl){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.9010	0.000	1	108.9010	0.000	1	108.9010	0.000	1	108.0452	2.984	12	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[6,6a]-3:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:P-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HP)(H)	C[6](C[6,6]C[6,6a]C[3x6]H)(C[6]N[6]O)(PO3)(H)	H(C[6,6]C[6,6a]C[3x6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HP)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[3x6]H)(C[6]N[6]O)(PO3)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[6,6a]C[3x6]C[6])	110.0750	0.000	1	110.0750	0.000	1	110.0750	0.000	1	108.0452	2.984	12	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]CH)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]H)(CH3)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]CH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]H)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.5520	0.000	1	109.5520	0.000	1	107.8500	6.537	3	108.0452	2.984	12	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]O)(CH3)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]O)(CH3)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.0880	0.000	1	109.0880	0.000	1	107.8500	6.537	3	108.0452	2.984	12	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(CH3)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N)(C[6]C[6]CH)(H){1|O<2>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(CH3)(H){1|N<3>,2|C<4>,3|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	104.9100	0.000	1	104.9100	0.000	1	107.8500	6.537	3	108.0452	2.984	12	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:S-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HS)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]O)(SC[6a]OO)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HS)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]O)(SC[6a]OO)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.7490	0.000	1	109.7490	0.000	1	109.7490	0.000	1	108.0452	2.984	12	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6a]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6a]C[6]H)(H){2|C<4>,5|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.3780	0.000	1	107.3780	0.000	1	107.3780	0.000	1	108.0452	2.984	12	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	N[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]OO)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]O)(CH3)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]OO)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]O)(CH3)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.9900	0.000	1	107.9900	0.000	1	107.9900	0.000	1	108.0452	2.984	12	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H){3|C<4>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.7130	0.000	1	107.7130	0.000	1	107.7130	0.000	1	108.0452	2.984	12	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:3:4:4:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(CH3)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(CH3)2{2|C<4>,5|H<1>}	H(C[6,6]N[6,6]C[6]2)	105.8600	0.267	2	105.8600	0.071	2	105.8600	0.071	2	105.8600	0.071	2	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]2)(C[6]C[6]HH)2(H){1|N<3>,3|C<4>,6|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	109.3505	0.061	4	109.3505	0.004	4	109.4995	0.375	127	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]C)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.7290	0.034	2	109.5137	0.436	55	109.4995	0.375	127	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]C)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	109.5433	0.654	53	109.5137	0.436	55	109.4995	0.375	127	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]C[5])(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]C[5])(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	109.6109	0.569	11	109.6109	0.324	11	109.4995	0.375	127	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]C[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]C[6])(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	109.7464	0.198	8	109.6898	0.043	12	109.4995	0.375	127	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]C[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]C[6])(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,6|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	109.5768	0.203	4	109.6898	0.043	12	109.4995	0.375	127	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]Ge)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]Ge)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ge<3>,2|C<4>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	109.0983	0.155	3	109.0983	0.024	3	109.4995	0.375	127	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]N)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]N)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	109.8390	0.057	4	109.5852	0.075	18	109.4995	0.375	127	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]N)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]N)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	109.5127	0.269	14	109.5852	0.075	18	109.4995	0.375	127	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]N[5])(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]N[5])(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	110.3970	0.666	2	108.8448	1.040	10	109.4995	0.375	127	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]N[5])(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]N[5])(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.4567	0.643	8	108.8448	1.040	10	109.4995	0.375	127	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]N[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]N[6])(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	109.4425	0.041	4	109.4425	0.002	4	109.4995	0.375	127	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]O[4])(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]O[4])(C[6]C[6]HH)2(H){2|In<4>,2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<3>,2|C<4>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	110.3690	1.007	2	110.3690	1.014	2	109.4995	0.375	127	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]S)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]S)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|S<2>,2|C<4>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	109.2865	0.151	4	109.2865	0.023	4	109.4995	0.375	127	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]Si)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]Si)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Si<3>,2|C<4>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	109.9622	0.044	4	109.9622	0.002	4	109.4995	0.375	127	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[3x6]-3:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6])(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)	C[6](C[6,6]C[3x6]C[5,6]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[6,6]C[3x6]C[5,6]C[6])	C[6,6](C[3x6]C[4x6]C[6,6])(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[5,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[5,6]C[6])	107.1870	0.000	1	107.1870	0.000	1	107.1870	0.000	1	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[3x6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[4x6]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|H<1>,1|I<1>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.3460	0.000	1	108.3460	0.000	1	108.3460	0.000	1	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[6,6]C[5,6,6]C[5,6]C[6])	C[6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[5,6,6]C[5,6]C[6])	108.9025	2.425	2	108.9025	5.879	2	108.9025	5.879	2	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2)(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]2)(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<3>,1|S<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	106.3760	0.000	1	106.3760	0.000	1	106.5110	0.036	2	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]N[5,6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]N[5,6]2)(C[6]C[6]HH)2(H){4|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>,2|N<3>}	H(C[6,6]C[5,6,6]C[6]2)	106.6460	0.000	1	106.6460	0.000	1	106.5110	0.036	2	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.6310	0.000	1	108.6310	0.000	1	108.0825	0.602	2	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<2>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.5340	0.000	1	107.5340	0.000	1	108.0825	0.602	2	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a,6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5a,6,6]C[6]2)	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6]C[5a,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[6,6]C[5a,6,6]C[6]2)	108.5900	0.000	1	108.5900	0.000	1	108.5900	0.000	1	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a,6]-3:C[5,6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]S[5a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[5a,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[5a,6]C[6])	C[6,6](C[5a,6]C[5a,6]S[5a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[5a,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	H(C[6,6]C[5,6,6]C[5a,6]C[6])	108.3690	0.000	1	108.3690	0.000	1	108.3690	0.000	1	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6,6]C[5a,6]C[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[5,6,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[5a,6]C[6,6]C[6])	105.8660	0.000	1	105.8660	0.000	1	106.9685	2.431	2	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5a,6]C[6,6]C[6])	C[6,6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[5a,6]C[6,6]C[6])	108.0710	0.000	1	108.0710	0.000	1	106.9685	2.431	2	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:N[6,6]-4:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2O)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2O)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<2>,2|O<1>,4|C<4>}	H(C[6,6]C[5a,6]N[6,6]C[6])	108.0560	0.037	2	108.0560	0.001	2	108.0560	0.001	2	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:N[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2H)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2H)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,2|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[5a,6]N[6,6]C[6])	107.6600	0.000	1	107.6600	0.000	1	107.6600	0.000	1	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a,6]-3:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[5a,6]N[6,6]C[6])	108.4715	0.364	2	108.4715	0.133	2	108.4715	0.133	2	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6,6a]C[6]2)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,2|H<1>,6|C<4>}	H(C[6,6]C[6,6,6a]C[6]2)	107.0770	0.000	1	107.0770	0.000	1	107.0770	0.000	1	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]O[6]CH)(H)2	H(C[6,6]C[6,6,6a]C[6]2)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]O[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6,6a]C[6]2)	107.0640	0.000	1	107.0640	0.000	1	107.1142	0.581	4	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]O[6]HO)(H)2	H(C[6,6]C[6,6,6a]C[6]2)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]O[6]HO)(H)2{1|C<4>,4|C<3>}	H(C[6,6]C[6,6,6a]C[6]2)	106.0560	0.000	1	106.0560	0.000	1	107.1142	0.581	4	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6,6a]C[6]2)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6,6a]C[6]2)	107.7270	0.000	1	107.7270	0.000	1	107.1142	0.581	4	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6,6a]C[6]2)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6,6a]C[6]2)	107.6100	0.000	1	107.6100	0.000	1	107.1142	0.581	4	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[3,6,6]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.9350	0.000	1	108.9350	0.000	1	108.9350	0.000	1	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]O)(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|O<1>,2|O<2>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	104.9880	0.000	1	104.9880	0.000	1	104.9880	0.000	1	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[3,6,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	108.4880	0.000	1	108.4880	0.000	1	106.7955	0.668	52	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6,6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6,6]CH)(C[6]C[6]HH)(H){2|C<4>,2|N<3>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	108.6270	0.000	1	108.6270	0.000	1	106.7955	0.668	52	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	107.5760	0.000	1	106.6830	0.395	40	106.7955	0.668	52	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	106.3067	0.161	3	106.6830	0.395	40	106.7955	0.668	52	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	105.9643	1.072	7	106.6830	0.395	40	106.7955	0.668	52	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	106.8288	0.277	17	106.6830	0.395	40	106.7955	0.668	52	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	106.6610	0.434	4	106.6830	0.395	40	106.7955	0.668	52	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	106.6530	0.000	1	106.6830	0.395	40	106.7955	0.668	52	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	107.0979	0.202	7	106.6830	0.395	40	106.7955	0.668	52	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|N<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	106.7705	0.433	2	106.7705	0.188	2	106.7955	0.668	52	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]2C[6])	108.4210	0.000	1	108.4210	0.000	1	106.7955	0.668	52	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6a]C[6]H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|N<3>,4|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6a]C[6]H)(H)2{1|N<3>,2|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]2C[6])	106.7505	2.423	2	106.7505	5.872	2	106.7955	0.668	52	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]O[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]O[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]2C[6])	106.7070	0.511	2	106.7070	0.261	2	106.7955	0.668	52	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]2C[6])	105.9440	0.000	1	105.9440	0.000	1	106.7955	0.668	52	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O[6])(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	106.0250	0.000	1	106.0250	0.000	1	106.7955	0.668	52	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]2C[6])	108.0880	0.000	1	108.0880	0.000	1	106.7955	0.668	52	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(N[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2H)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	108.2115	0.578	2	108.2115	0.334	2	108.2115	0.334	2	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]2)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|C<2>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]2)(H)2{1|C<2>,1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.3180	0.000	1	106.3180	0.000	1	106.3180	0.000	1	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]CH)(H)2{3|C<3>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.0160	0.075	2	107.0160	0.006	2	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.2910	0.477	2	107.2910	0.227	2	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.2640	0.000	1	106.2640	0.000	1	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|P<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9760	0.000	1	106.9760	0.000	1	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9920	0.467	3	107.9920	0.218	3	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.7720	0.322	2	107.7720	0.104	2	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[5])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[5])(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8210	4.387	2	106.8210	19.245	2	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.8795	0.296	2	105.8795	0.088	2	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(H){1|C<3>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3455	0.148	2	108.3455	0.022	2	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(H){1|C<3>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4095	0.142	2	108.4095	0.020	2	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4430	0.000	1	107.4430	0.000	1	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6a])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6a])(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5952	0.088	4	108.5952	0.008	4	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]N)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]N)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5280	0.000	1	108.5385	0.000	2	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]N)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]N)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5490	0.000	1	108.5385	0.000	2	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|O<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.4465	0.462	2	108.4465	0.213	2	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CO)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	102.3195	7.973	2	102.3195	63.563	2	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,2|O<1>}	H(C[6,6]C[6,6]C[6]2)	108.4160	0.000	1	108.4210	0.000	2	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4260	0.000	1	108.4210	0.000	2	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<1>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.2015	0.408	2	109.0853	0.124	3	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<1>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.8530	0.000	1	109.0853	0.124	3	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.1870	0.468	2	109.0767	0.146	3	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.8560	0.000	1	109.0767	0.146	3	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<2>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.2317	0.229	9	108.2317	0.052	9	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	106.8327	0.437	3	106.8327	0.191	3	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|C<4>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.2950	0.000	1	107.2950	0.000	1	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	111.1370	0.000	1	103.8785	105.372	2	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	96.6200	0.000	1	103.8785	105.372	2	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)2(H){1|S<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	105.7415	2.908	2	105.7415	8.458	2	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2430	0.000	1	107.2430	0.000	1	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.0040	0.017	2	107.0040	0.000	2	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	110.5560	0.000	1	110.5560	0.000	1	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	106.8960	0.000	1	106.8960	0.000	1	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.1090	0.000	1	106.8098	0.142	4	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.5720	0.437	2	106.8098	0.142	4	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.9860	0.000	1	106.8098	0.142	4	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.7050	0.000	1	106.7050	0.000	1	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.0900	0.000	1	108.0900	0.000	1	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.4980	0.000	1	107.4980	0.000	1	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7970	0.000	1	107.9564	0.185	5	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9963	0.487	4	107.9564	0.185	5	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.8925	0.422	2	108.8925	0.178	2	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HP)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HP)(H){1|B<4>,1|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|P<4>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9600	0.000	1	106.9600	0.000	1	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1200	0.000	1	108.1200	0.000	1	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6540	0.000	1	107.7970	0.041	2	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9400	0.000	1	107.7970	0.041	2	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0710	0.000	1	107.7800	0.158	10	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4637	0.133	3	107.7800	0.158	10	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4810	0.109	2	107.7800	0.158	10	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8800	0.000	1	107.7800	0.158	10	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.6090	0.000	1	107.7800	0.158	10	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.7680	0.000	1	107.7800	0.158	10	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.1190	0.000	1	107.7800	0.158	10	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1300	0.000	1	108.1300	0.000	1	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8635	1.272	2	106.8635	1.618	2	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0820	0.000	1	108.0820	0.000	1	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.8885	0.118	2	105.8885	0.014	2	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6310	0.000	1	107.6345	0.000	2	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6380	0.000	1	107.6345	0.000	2	107.5461	3.790	96	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[3x6]H)(C[6]C[6a]O[6]H)(H)2	H(C[6,6]C[6,6a]C[3x6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]O)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|O<2>,4|C<3>}	C[6](C[6,6]C[6,6a]C[3x6]H)(C[6]C[6a]O[6]H)(H)2{1|C<4>,1|O<2>,5|C<3>}	H(C[6,6]C[6,6a]C[3x6]C[6])	109.7250	0.071	2	109.7250	0.005	2	109.7250	0.005	2	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[5,6,6]C[6,6a]C[6])	108.0865	0.219	4	107.5390	0.685	8	107.4500	0.671	9	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[6,6a]C[6])	106.9915	0.867	4	107.5390	0.685	8	107.4500	0.671	9	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6a]O[6]H)(H)2	H(C[6,6]C[5,6,6]C[6,6a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6a]O[6]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6,6]C[5,6,6]C[6,6a]C[6])	106.7380	0.000	1	106.7380	0.000	1	107.4500	0.671	9	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[5,6,6]HH)(C[6]C[5,6,6]HH)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6a]C[6,6]H)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[5,6,6]HH)(C[6]C[5,6,6]HH)(H){1|C<3>,1|N<2>,3|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6a]C[6,6]H)(H)2{1|N<4>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.2510	0.000	1	109.2510	0.000	1	109.2510	0.000	1	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(H)	C[6](C[5,6]O[5,6]C[6a]O[5])(C[6,6]C[6,6a]C[6,6]H)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>,4|C<3>}	C[6](C[5,6]O[5,6]C[6a]O[5])(C[6,6]C[6,6a]C[6,6]H)(H)2{1|H<1>,3|C<4>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.5510	0.000	1	108.5510	0.000	1	108.5510	0.000	1	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]O[6]C)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H){1|H<1>,1|O<1>,2|C<3>,3|O<2>,4|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]O[6]C)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.0335	0.559	2	107.0335	0.313	2	107.0335	0.313	2	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]ClH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(Cl)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]ClH)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(Cl)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.0600	1.638	5	106.0600	2.684	5	106.0600	2.684	5	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|N<4>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	104.5510	0.000	1	104.5510	0.000	1	106.5606	1.358	174	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.5100	0.052	2	106.5100	0.003	2	106.5606	1.358	174	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.0005	0.132	2	106.3591	0.898	134	106.5606	1.358	174	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.8273	0.267	4	106.3591	0.898	134	106.5606	1.358	174	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.1150	0.000	1	106.3591	0.898	134	106.5606	1.358	174	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.8440	0.000	1	106.3591	0.898	134	106.5606	1.358	174	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.3565	1.113	91	106.3591	0.898	134	106.5606	1.358	174	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.2278	0.325	34	106.3591	0.898	134	106.5606	1.358	174	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.6680	0.000	1	106.3591	0.898	134	106.5606	1.358	174	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[5,6]CH)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[5,6]CH)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.5620	0.000	1	107.5620	0.000	1	106.5606	1.358	174	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.6130	0.000	1	106.6130	0.000	1	106.5606	1.358	174	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6,6]C[6,6a]C[6,6]C[6])	100.5540	0.000	1	100.5540	0.000	1	106.5606	1.358	174	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.9530	0.361	2	106.7157	0.293	7	106.5606	1.358	174	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.6208	0.606	5	106.7157	0.293	7	106.5606	1.358	174	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,3|O<2>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.6240	0.000	1	109.5133	0.009	3	106.5606	1.358	174	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.4580	0.016	2	109.5133	0.009	3	106.5606	1.358	174	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]2H)(C[6]C[6]HH)(H){3|H<1>,6|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,5|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.4900	0.000	1	108.4900	0.000	1	106.5606	1.358	174	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.6250	0.000	1	106.6250	0.000	1	106.5606	1.358	174	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)(H){4|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.1510	0.028	2	108.1510	0.001	2	106.5606	1.358	174	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>,2|S<2>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.2030	0.000	1	106.2030	0.000	1	106.5606	1.358	174	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.1380	0.000	1	108.1735	0.003	2	106.5606	1.358	174	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.2090	0.000	1	108.1735	0.003	2	106.5606	1.358	174	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.6294	0.806	5	107.6294	0.649	5	106.5606	1.358	174	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]HH)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.8190	0.000	1	107.8190	0.000	1	106.5606	1.358	174	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CH)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.5865	0.722	2	107.5865	0.521	2	106.5606	1.358	174	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]HH)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.9875	0.716	4	107.1483	0.515	6	106.5606	1.358	174	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]HH)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,3|C<3>,6|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.4700	0.854	2	107.1483	0.515	6	106.5606	1.358	174	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]S[6]HH)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|S<2>,3|C<3>,6|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]S[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.2490	0.000	1	106.2490	0.000	1	106.5606	1.358	174	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.1910	0.000	1	109.1910	0.000	1	106.5606	1.358	174	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.1290	0.000	1	108.1290	0.000	1	106.5606	1.358	174	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.0383	0.267	3	108.0383	0.071	3	108.0383	0.071	3	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6]HH)(H)2	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.8583	0.935	17	107.8583	0.873	17	107.8583	0.873	17	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6]C[6a])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6]C[6a])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.5870	0.000	1	107.5870	0.000	1	107.5870	0.000	1	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[3x6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[3x6]C[6]2)	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]N[3x6]C[6]2)	108.5830	0.000	1	108.5830	0.000	1	107.5601	1.865	18	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[3x6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]N[3x6]C[6]2)	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H){5|C<4>,5|H<1>}	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,4|H<1>}	H(C[6,6]N[3x6]C[6]2)	107.5680	2.582	2	107.5680	6.669	2	107.5601	1.865	18	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[3x6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CO)(H)2	H(C[6,6]N[3x6]C[6]2)	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H){1|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CO)(H)2{3|C<4>,4|H<1>}	H(C[6,6]N[3x6]C[6]2)	107.5260	2.186	2	107.5260	4.780	2	107.5601	1.865	18	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[3x6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[3x6]C[6]2)	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]N[3x6]C[6]2)	108.8300	0.000	1	107.4276	1.889	11	107.5601	1.865	18	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[3x6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[3x6]C[6]2)	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H){1|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6,6]N[3x6]C[6]2)	107.5110	2.225	2	107.4276	1.889	11	107.5601	1.865	18	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[3x6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[3x6]C[6]2)	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H){4|C<4>,6|H<1>}	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6,6]N[3x6]C[6]2)	107.1217	0.993	6	107.4276	1.889	11	107.5601	1.865	18	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[3x6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[3x6]C[6]2)	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H){5|C<4>,5|H<1>}	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6,6]N[3x6]C[6]2)	107.5610	2.536	2	107.4276	1.889	11	107.5601	1.865	18	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[3x6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6,6]N[3x6]C[6]2)	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H){2|C<3>,2|N<4>,4|H<1>}	C[6](C[6,6]N[3x6]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]N[3x6]C[6]2)	107.8030	0.016	2	107.8030	0.000	2	107.5601	1.865	18	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6,6]HH)(C[6]C[6]CI)(H)	C[6](C[6,6]N[5,6,6]C[6]H)(C[6,6]C[6]S[6]2)(H)2	H(C[6,6]N[5,6,6]C[6]2)	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6,6]HH)(C[6]C[6]CI)(H){2|S<2>,4|C<4>,4|H<1>}	C[6](C[6,6]N[5,6,6]C[6]H)(C[6,6]C[6]S[6]2)(H)2{1|I<1>,2|H<1>,6|C<4>}	H(C[6,6]N[5,6,6]C[6]2)	107.2820	0.000	1	107.2820	0.000	1	107.2820	0.000	1	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[5,6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]N[5,6,6]C[6]2)	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6]HH)2(H){1|O<2>,2|N<3>,3|C<4>,3|H<1>}	C[6](C[6,6]N[5,6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]N[5,6,6]C[6]2)	109.5940	0.000	1	109.5940	0.000	1	109.5710	0.001	2	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[5,6,6]C[6]H)(C[6]N[6]CH)(H)2	H(C[6,6]N[5,6,6]C[6]2)	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6]HH)2(H){1|O<2>,2|N<3>,3|C<4>,3|H<1>}	C[6](C[6,6]N[5,6,6]C[6]H)(C[6]N[6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]N[5,6,6]C[6]2)	109.5480	0.000	1	109.5480	0.000	1	109.5710	0.001	2	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[5,6]C[5,6]N[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]N[5,6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[3x6]N[5,6]C[6])	C[6,6](N[5,6]C[5,6]N[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]N[5,6]H)(C[6]C[6]CH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]N[5,6]C[6])	106.6500	0.000	2	106.6500	0.000	2	106.6500	0.000	2	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]N[5,6]C[6])	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[5,6]C[6])	109.1020	0.000	1	109.1020	0.000	1	108.7477	0.117	3	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]N[5,6]C[6])	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]N[5,6]C[6])	108.5705	0.216	2	108.5705	0.047	2	108.7477	0.117	3	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:N[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6]HH)(N[6,6]C[6]2C)(H)	C[6](C[6,6]N[5,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]N[5,6]N[6,6]C[6])	C[6,6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6]HH)(N[6,6]C[6]2C)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]N[5,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,2|H<1>,6|C<4>}	H(C[6,6]N[5,6]N[6,6]C[6])	107.5825	0.349	2	107.5825	0.122	2	107.5825	0.122	2	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[5a,6]C[6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[5a,6]C[6,6]C[6])	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[5a,6]C[6]O)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]N[5a,6]C[6,6]C[6])	107.9310	0.000	1	107.9310	0.000	1	107.9310	0.000	1	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6]N[6,6]C[6])	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,6|H<1>}	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[5,6]N[6,6]C[6])	108.9140	0.000	1	108.9140	0.000	1	108.9140	0.000	1	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6,6a]C[6])(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](N[6,6]C[6,6,6a]C[6])(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	109.0180	0.006	2	109.0180	0.000	2	109.0180	0.000	2	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[5,6,6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[5,6,6]H)(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.7137	1.228	3	107.7137	1.508	3	107.9340	0.545	70	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[5,6,6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[5,6,6]H)(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.3520	1.286	3	107.3520	1.655	3	107.9340	0.545	70	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.6720	0.000	1	107.6720	0.000	1	107.9340	0.545	70	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.0500	0.000	1	107.0500	0.000	1	107.9340	0.545	70	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.7920	0.000	1	107.7920	0.000	1	107.9340	0.545	70	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)2(H){1|N<3>,2|C<4>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.9142	0.195	14	107.9039	0.037	15	107.9340	0.545	70	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.7600	0.000	1	107.9039	0.037	15	107.9340	0.545	70	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HN)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)2(H){1|N<3>,2|C<4>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HN)(H)2{3|C<4>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.8987	0.198	14	107.8987	0.039	14	107.9340	0.545	70	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.3507	0.108	3	107.3507	0.012	3	107.9340	0.545	70	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)2(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.9763	0.111	6	107.9763	0.012	6	107.9340	0.545	70	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.8100	0.337	2	107.8100	0.113	2	107.9340	0.545	70	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	106.9950	0.000	1	106.9950	0.000	1	107.9340	0.545	70	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]O)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]O)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.8395	0.086	2	108.8395	0.007	2	107.9340	0.545	70	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.6750	0.000	1	107.6750	0.000	1	107.9340	0.545	70	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.5530	0.000	1	107.9245	0.276	2	107.9340	0.545	70	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<1>,2|C<4>,6|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.2960	0.000	1	107.9245	0.276	2	107.9340	0.545	70	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO)(H)2{1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	109.6820	0.000	1	109.6905	0.000	2	107.9340	0.545	70	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO)(H)2{1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	109.6990	0.000	1	109.6905	0.000	2	107.9340	0.545	70	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H){1|S<1>,4|C<4>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	109.4630	0.000	1	109.4630	0.000	1	107.9340	0.545	70	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.9195	0.496	2	107.4420	0.851	5	107.9340	0.545	70	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.8820	0.000	1	107.4420	0.851	5	107.9340	0.545	70	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H){1|Pd<4>,1|C<4>,1|N<3>,6|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	105.8680	0.000	1	107.4420	0.851	5	107.9340	0.545	70	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H){1|S<1>,4|C<4>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.6210	0.000	1	107.4420	0.851	5	107.9340	0.545	70	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]O)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]O)(H)2{1|Cl<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.6190	0.000	1	107.9765	0.256	2	107.9340	0.545	70	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]O)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]O)(H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.3340	0.000	1	107.9765	0.256	2	107.9340	0.545	70	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H){1|Pd<4>,1|C<4>,1|N<3>,6|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]N[6,6]C[6]2)	105.9780	0.000	1	105.9780	0.000	1	107.9340	0.545	70	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]S[6])(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]N[6]CH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]S[6])(C[6]C[6]HH)(C[6]O[6]HH)(H){1|N<2>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]N[6]CH)(H)2{1|C<4>,1|O<2>,1|S<4>,2|H<1>}	H(C[6,6]N[6,6]C[6]2)	109.3090	0.576	2	109.3090	0.331	2	107.9340	0.545	70	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]S[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]S[6])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,5|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|S<4>,2|C<4>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	109.1090	0.000	1	109.1090	0.000	1	107.9340	0.545	70	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]S[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]S[6])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,5|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	109.0870	0.000	1	109.0870	0.000	1	107.9340	0.545	70	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:S[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HO)(C[6]S[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(S[6]C[6]OO)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HO)(C[6]S[6]HH)(H){1|O<2>,2|C<4>,2|O<1>,5|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(S[6]C[6]OO)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.6330	0.000	1	108.6330	0.000	1	108.6330	0.000	1	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]C[6]N[6])	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]N[6,6]C[6]N[6])	109.2410	0.000	1	109.2410	0.000	1	109.2410	0.000	1	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	P[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](P[6,6]C[6,6]P)(C[6]C[6]HH)2(H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]P[6,6]C[6]2)	C[6,6](P[6,6]C[6,6]P)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|P<3>,2|C<4>,4|H<1>}	H(C[6,6]P[6,6]C[6]2)	107.3203	0.037	3	107.3203	0.001	3	107.3246	0.005	16	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	P[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](P[6,6]C[6,6]P[6,6])(C[6]C[6]HH)2(H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]P[6,6]C[6]2)	C[6,6](P[6,6]C[6,6]P[6,6])(C[6]C[6]HH)2(H){4|C<4>,5|H<1>}	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|P<3>,2|C<4>,4|H<1>}	H(C[6,6]P[6,6]C[6]2)	107.3142	0.089	10	107.3142	0.008	10	107.3246	0.005	16	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	P[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](P[6,6]C[6,6]Si)(C[6]C[6]HH)2(H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]P[6,6]C[6]2)	C[6,6](P[6,6]C[6,6]Si)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Si<4>,2|C<4>,4|H<1>}	H(C[6,6]P[6,6]C[6]2)	107.3637	0.009	3	107.3637	0.000	3	107.3246	0.005	16	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	Se[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:Br-1:H-1:	C[6,6]-4:	C[6,6](Se[6,6]C[6,6]Br)(C[6]C[6]BrH)(C[6]C[6]HH)(H)	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(Br)(H)	H(C[6,6]Se[6,6]C[6]2)	C[6,6](Se[6,6]C[6,6]Br)(C[6]C[6]BrH)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(Br)(H){1|Br<1>,2|C<4>,4|H<1>}	H(C[6,6]Se[6,6]C[6]2)	107.5100	0.279	4	107.5100	0.078	4	107.5100	0.078	4	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	Se[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](Se[6,6]C[6,6]Br)(C[6]C[6]BrH)(C[6]C[6]HH)(H)	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]Se[6,6]C[6]2)	C[6,6](Se[6,6]C[6,6]Br)(C[6]C[6]BrH)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|Br<1>,2|C<4>,2|H<1>}	H(C[6,6]Se[6,6]C[6]2)	107.5127	0.274	4	107.5127	0.075	4	107.5127	0.075	4	107.6724	2.403	645	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[3x6]-3:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6])(C[6]C[3x6]HO)(C[6]O[6]CH)(H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C[6]H)(OH)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[4x6]C[6])(C[6]C[3x6]HO)(C[6]O[6]CH)(H){1|H<1>,2|C<3>,4|C<4>}	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C[6]H)(OH)(H){3|C<3>,3|C<4>,3|H<1>,3|O<2>}	H(C[6,6]C[3x6]C[6]2)	107.6230	0.000	1	107.6230	0.000	1	107.6230	0.000	1	107.6798	1.094	40	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(OH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HO)(H){5|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	105.8170	0.000	1	105.8170	0.000	1	105.8170	0.000	1	107.6798	1.094	40	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HO)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2O)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HO)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2O)(OC)(H){1|H<1>,2|C<3>,3|C<4>,3|O<2>}	H(C[6,6]C[6,6]C[6]2)	106.8370	0.000	1	106.8370	0.000	1	106.8370	0.000	1	107.6798	1.094	40	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(CN)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|C<2>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(CN)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.3010	0.000	1	106.3010	0.000	1	106.3010	0.000	1	107.6798	1.094	40	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]HO)(H){1|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1300	0.000	1	108.1300	0.000	1	107.7682	0.378	15	107.6798	1.094	40	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]HO)(H){1|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4145	0.063	2	108.4145	0.004	2	107.7682	0.378	15	107.6798	1.094	40	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|O<1>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3940	0.000	1	108.3940	0.000	1	107.7682	0.378	15	107.6798	1.094	40	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4460	0.000	1	108.4460	0.000	1	107.7682	0.378	15	107.6798	1.094	40	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.1138	0.243	5	107.1138	0.059	5	107.7682	0.378	15	107.6798	1.094	40	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9850	0.000	1	108.0547	0.023	4	107.7682	0.378	15	107.6798	1.094	40	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0780	0.176	3	108.0547	0.023	4	107.7682	0.378	15	107.6798	1.094	40	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HO)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HO)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]2)	106.9360	0.000	1	106.9360	0.000	1	107.7682	0.378	15	107.6798	1.094	40	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HO)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]N[5,6]C[5]H)(OH)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HO)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]N[5,6]C[5]H)(OH)(H){2|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.1217	0.611	3	107.1217	0.374	3	107.1217	0.374	3	107.6798	1.094	40	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]N[6]H)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HO)(OH)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]N[6]H)(C[6]C[6]HO)(H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.8760	0.000	1	106.8760	0.000	1	108.6190	1.800	9	107.6798	1.094	40	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CH)(OC)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	110.3790	0.000	1	110.3790	0.000	1	108.6190	1.800	9	107.6798	1.094	40	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]HH)(OC)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H){1|N<2>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]HH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.6960	0.000	1	109.6960	0.000	1	108.6190	1.800	9	107.6798	1.094	40	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(OH)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HO)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(OH)(H){1|H<1>,1|N<3>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.2580	0.000	1	107.2580	0.000	1	108.6190	1.800	9	107.6798	1.094	40	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(OH)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.5720	0.235	2	107.5720	0.055	2	108.6190	1.800	9	107.6798	1.094	40	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(OH)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HO)(H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.5380	0.000	1	108.5380	0.000	1	108.6190	1.800	9	107.6798	1.094	40	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CH)(OC)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.8400	0.130	2	109.8400	0.017	2	108.6190	1.800	9	107.6798	1.094	40	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	N[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[3,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[3,6]HO)(H)	C[6](C[6,6]N[5a,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(OH)(H)	H(C[6,6]N[5a,6]C[6,6]C[6])	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[3,6]HO)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[6,6]N[5a,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6,6]N[5a,6]C[6,6]C[6])	105.9170	0.000	1	105.9170	0.000	1	105.9170	0.000	1	107.6798	1.094	40	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){2|F<1>,2|H<1>,3|C<4>}	H(C[6,6]N[6,6]C[6]2)	107.1310	0.000	1	107.1310	0.000	1	107.4049	0.489	8	107.6798	1.094	40	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|F<1>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.0550	0.000	1	107.0550	0.000	1	107.4049	0.489	8	107.6798	1.094	40	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<1>,2|C<4>,6|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.2620	0.000	1	108.2620	0.000	1	107.4049	0.489	8	107.6798	1.094	40	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	106.8670	0.138	3	106.8670	0.019	3	107.4049	0.489	8	107.6798	1.094	40	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]O[6]CH)(OC)(H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]O[6]CH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.5320	0.000	1	107.5320	0.000	1	107.4049	0.489	8	107.6798	1.094	40	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HO)(C[6]S[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HO)(C[6]S[6]HH)(H){1|O<2>,2|C<4>,2|O<1>,5|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,1|S<4>,2|C<4>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.6580	0.000	1	108.6580	0.000	1	107.4049	0.489	8	107.6798	1.094	40	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2)(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(COO)(H)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]2)(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<3>,1|S<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(COO)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	106.3400	0.000	1	106.3400	0.000	1	106.3400	0.000	1	107.6265	1.402	42	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6]2H)(C[6]C[6]CH)(H)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]CC)(CCO)(H)	H(C[6,6]C[5a,6]C[6,6]C[6])	C[6,6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6]2H)(C[6]C[6]CH)(H){1|N<3>,2|C<3>,2|H<1>,6|C<4>}	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]CC)(CCO)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[5a,6]C[6,6]C[6])	107.6130	0.279	2	107.6130	0.078	2	107.6130	0.078	2	107.6265	1.402	42	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<2>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.2992	0.288	5	108.2937	0.066	7	107.6965	0.884	13	107.6265	1.402	42	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<2>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.2800	0.253	2	108.2937	0.066	7	107.6965	0.884	13	107.6265	1.402	42	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(COO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<2>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(COO)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.0915	0.107	2	108.0915	0.011	2	107.6965	0.884	13	107.6265	1.402	42	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.0015	0.066	2	107.0015	0.004	2	107.6965	0.884	13	107.6265	1.402	42	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	105.9065	0.132	2	105.9065	0.017	2	107.6965	0.884	13	107.6265	1.402	42	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8397	0.478	3	106.8397	0.229	3	106.8397	0.229	3	107.6265	1.402	42	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(COO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(COO)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9320	0.000	1	106.9320	0.000	1	107.5886	0.267	10	107.6265	1.402	42	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5270	0.000	1	107.5270	0.000	1	107.5886	0.267	10	107.6265	1.402	42	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2363	0.235	3	107.3725	0.111	4	107.5886	0.267	10	107.6265	1.402	42	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7810	0.000	1	107.3725	0.111	4	107.5886	0.267	10	107.6265	1.402	42	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(COO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(COO)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9843	0.524	4	107.9843	0.275	4	107.5886	0.267	10	107.6265	1.402	42	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.8975	0.424	2	108.8975	0.179	2	108.8975	0.179	2	107.6265	1.402	42	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCC)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.3470	0.000	1	109.3470	0.000	1	109.2153	0.016	3	107.6265	1.402	42	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCC)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.1495	0.083	2	109.1495	0.007	2	109.2153	0.016	3	107.6265	1.402	42	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(NCO)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(NCO)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.1550	0.000	1	108.1550	0.000	1	107.1059	3.876	8	107.6265	1.402	42	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(NOO)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(NOO)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.1575	0.012	2	109.1575	0.000	2	107.1059	3.876	8	107.6265	1.402	42	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(NOO)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(NOO)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.6680	0.000	1	108.6680	0.000	1	107.1059	3.876	8	107.6265	1.402	42	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H){1|H<1>,2|C<4>,5|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	104.1370	0.000	1	105.4273	1.301	4	107.1059	3.876	8	107.6265	1.402	42	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|N<3>,4|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,1|H<1>,6|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.8700	0.000	1	105.4273	1.301	4	107.1059	3.876	8	107.6265	1.402	42	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,1|H<1>,6|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	105.0830	0.000	1	105.4273	1.301	4	107.1059	3.876	8	107.6265	1.402	42	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|O<2>,4|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,1|H<1>,6|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	105.6190	0.000	1	105.4273	1.301	4	107.1059	3.876	8	107.6265	1.402	42	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:3:2:	4:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:C-2:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6]2H)(C[6]C[6]CC)(H)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]CC)(CCH)(CN)	H(C[6,6]C[5a,6]C[6,6]C[6])	C[6,6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6]2H)(C[6]C[6]CC)(H){1|N<3>,2|H<1>,4|C<3>,4|C<4>}	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]CC)(CCH)(CN){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6,6]C[5a,6]C[6,6]C[6])	108.3460	0.000	1	108.3460	0.000	1	108.3460	0.000	1	109.0412	4.413	6	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:3:2:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CO)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(OH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	110.6480	3.775	2	110.6480	14.247	2	110.6480	14.247	2	109.0412	4.413	6	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:3:2:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:C-2:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(COO)(CN)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(COO)(CN){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.0130	0.000	1	108.0130	0.000	1	108.2017	0.029	3	109.0412	4.413	6	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:3:2:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:C-2:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]O[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(CCO)(CC)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(CCO)(CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.2960	0.064	2	108.2960	0.004	2	108.2017	0.029	3	109.0412	4.413	6	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:3:3:	4:	C[6,6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:C-3:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HO)(COO)2	H(C[6,6]C[6,6,6a]C[6]2)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HO)(COO)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6,6a]C[6]2)	106.0550	0.000	1	106.0550	0.000	1	106.0550	0.000	1	106.0550	0.000	1	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:3:4:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CN[5]O)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CN[5]O)(CH3){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0260	0.000	1	107.0260	0.000	1	107.0260	0.000	1	107.0260	0.000	1	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6,6]C[6,6,6a]C[6]2)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6,6a]C[6]2)	107.6450	0.000	1	107.6450	0.000	1	107.6615	0.001	2	106.9029	4.621	32	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)2(H)	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]O[6]CC)(CCHH)(H)	H(C[6,6]C[6,6,6a]C[6]2)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)2(H){2|C<3>,2|O<2>,4|C<4>}	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]O[6]CC)(CCHH)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6,6a]C[6]2)	107.6780	0.000	1	107.6780	0.000	1	107.6615	0.001	2	106.9029	4.621	32	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	106.3660	0.332	2	106.4088	0.069	10	106.4088	0.069	10	106.9029	4.621	32	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	106.6940	0.000	1	106.4088	0.069	10	106.4088	0.069	10	106.9029	4.621	32	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){2|O<2>,4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	106.5705	0.260	2	106.4088	0.069	10	106.4088	0.069	10	106.9029	4.621	32	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	106.3870	0.000	1	106.4088	0.069	10	106.4088	0.069	10	106.9029	4.621	32	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	106.2835	0.286	4	106.4088	0.069	10	106.4088	0.069	10	106.9029	4.621	32	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|O<1>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3915	0.380	2	108.3915	0.144	2	106.5218	9.157	14	106.9029	4.621	32	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CH)(C[6]N[6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	H(C[6,6]C[6,6]C[6]2)	109.2150	0.000	1	109.2150	0.000	1	106.5218	9.157	14	106.9029	4.621	32	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	96.6170	0.000	1	96.6170	0.000	1	106.5218	9.157	14	106.9029	4.621	32	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9000	0.000	1	107.9000	0.000	1	106.5218	9.157	14	106.9029	4.621	32	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6940	0.000	1	106.6940	0.000	1	106.5218	9.157	14	106.9029	4.621	32	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)(CH3)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	104.9450	0.000	1	104.9450	0.000	1	106.5218	9.157	14	106.9029	4.621	32	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1102	0.246	5	107.1102	0.060	5	106.5218	9.157	14	106.9029	4.621	32	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CCCH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)2(H){2|C<3>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CCCH)(H){1|H<1>,2|C<4>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	106.7680	0.000	1	106.7680	0.000	1	106.5218	9.157	14	106.9029	4.621	32	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HO)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)2(H){2|C<3>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.8320	0.000	1	106.8320	0.000	1	106.5218	9.157	14	106.9029	4.621	32	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:P-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HP)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]B[6]HH)(PC[6a]3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HP)(H){1|B<4>,1|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]B[6]HH)(PC[6a]3)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	106.9190	0.000	1	106.9190	0.000	1	106.9190	0.000	1	106.9029	4.621	32	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCCO)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCCO)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.8250	0.000	1	108.7950	0.002	2	109.0002	0.081	4	106.9029	4.621	32	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCCO)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCCO)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.7650	0.000	1	108.7950	0.002	2	109.0002	0.081	4	106.9029	4.621	32	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.0160	0.000	1	109.0160	0.000	1	109.0002	0.081	4	106.9029	4.621	32	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]HH)(CC[6a]HH)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){2|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]HH)(CC[6a]HH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.3950	0.000	1	109.3950	0.000	1	109.0002	0.081	4	106.9029	4.621	32	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	N[5,6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:I-1:	C[6,6]-4:	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6,6]HH)(C[6]C[6]CI)(H)	C[6](C[6,6]N[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(I)	H(C[6,6]N[5,6,6]C[6]2)	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6,6]HH)(C[6]C[6]CI)(H){2|S<2>,4|C<4>,4|H<1>}	C[6](C[6,6]N[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(I){3|H<1>,4|C<4>}	H(C[6,6]N[5,6,6]C[6]2)	107.2560	0.000	1	107.2560	0.000	1	107.2560	0.000	1	106.9029	4.621	32	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:4:3:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CHO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CHO){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8710	0.000	1	106.8710	0.000	1	106.8710	0.000	1	106.8710	0.000	1	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:4:4:	4:	C[5a,6]-3:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]O[5a])(N[6,6]C[6]2H)(C[6]C[6]CC)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CHHO)(CH3)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]O[5a])(N[6,6]C[6]2H)(C[6]C[6]CC)(H){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	107.5590	0.296	6	107.5590	0.087	6	107.5590	0.087	6	107.1840	0.248	14	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:4:4:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0235	0.124	2	107.0235	0.015	2	106.9027	0.187	8	107.1840	0.248	14	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:4:4:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.3240	0.000	1	106.3240	0.000	1	106.9027	0.187	8	107.1840	0.248	14	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:4:4:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3010	0.484	2	107.3010	0.234	2	106.9027	0.187	8	107.1840	0.248	14	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:4:4:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.5720	0.346	2	106.5720	0.120	2	106.9027	0.187	8	107.1840	0.248	14	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	3:4:4:1:	4:4:4:4:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1050	0.000	1	107.1050	0.000	1	106.9027	0.187	8	107.1840	0.248	14	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:2:3:1:	3:4:1:1:	4:	C[6]-4:O[6,6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[6]N[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)2	H(C[6,6]O[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[6]N[6]N)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)2{1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	H(C[6,6]O[6,6]C[6]2)	109.3280	0.009	3	109.3884	0.008	5	109.3884	0.008	5	109.3884	0.008	5	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:2:3:1:	3:4:1:1:	4:	C[6]-4:O[6,6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[6]N[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)2	H(C[6,6]O[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[6]N[6]N)(H){1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)2{1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	H(C[6,6]O[6,6]C[6]2)	109.4790	0.079	2	109.3884	0.008	5	109.3884	0.008	5	109.3884	0.008	5	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:2:4:1:	4:2:1:1:	4:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(O[6]C[6,6a])(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6,6a])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(O[6]C[6,6a])(C[6]O[6]HH)(H){1|N<3>,4|C<3>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	109.2960	0.000	1	109.0197	0.269	6	109.0931	0.262	7	109.0931	0.262	7	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:2:4:1:	4:2:1:1:	4:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(O[6]C[6,6a])(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6,6a])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(O[6]C[6,6a])(C[6]O[6]HH)(H){1|O<1>,4|C<3>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	108.9644	0.560	5	109.0197	0.269	6	109.0931	0.262	7	109.0931	0.262	7	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:2:4:1:	4:2:1:1:	4:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]O)(O[6]C[6,6a])(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6,6a])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]C[6]O)(O[6]C[6,6a])(C[6]O[6]HH)(H){1|O<1>,4|C<3>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6,6a])(H)2{1|O<2>,4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	109.5340	0.000	1	109.5340	0.000	1	109.0931	0.262	7	109.0931	0.262	7	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:2:4:1:	4:2:2:1:	4:	C[4,6,6]-4:O[6,6]-2:C[6]-4:H-1:	C[6,6]-4:S[6]-2:S[6]-2:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(O[6,6]C[6,6])(C[6]S[6]2H)(H)	C[6](C[6,6]C[4,6,6]O[6,6]H)(S[6]C[6])2(H)	H(C[6,6]C[4,6,6]O[6,6]C[6])	C[6,6](C[4,6,6]C[4,6]2H)(O[6,6]C[6,6])(C[6]S[6]2H)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[4,6,6]O[6,6]H)(S[6]C[6])2(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[4,6,6]O[6,6]C[6])	108.3460	0.000	1	108.3460	0.000	1	108.3460	0.000	1	108.3460	0.000	1	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]2O)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6a]O)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]2O)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,5|C<3>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6a]O)(H)2{1|O<2>,4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	107.7870	0.000	1	107.7870	0.000	1	108.7657	0.451	4	107.9592	0.760	9	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2C)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)2{1|C<2>,1|C<4>,3|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	108.9380	0.000	1	108.9380	0.000	1	108.7657	0.451	4	107.9592	0.760	9	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|O<2>,4|C<3>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	109.1690	0.204	2	109.1690	0.041	2	108.7657	0.451	4	107.9592	0.760	9	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	C[6,6]-4:S[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HO)(S[6]C[5,6,6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[5,6]O)(H)2	H(C[6,6]C[6,6]C[6]S[6])	C[6,6](C[6,6]C[5,6,6]HO)(S[6]C[5,6,6])(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[5,6]O)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]S[6])	107.3140	0.107	5	107.3140	0.011	5	107.3140	0.011	5	107.9592	0.760	9	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:2:4:1:	4:3:4:1:	4:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(CH3)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	109.2090	0.000	1	109.2090	0.000	1	109.2090	0.000	1	109.2090	0.000	1	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[3x6]-4:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(O[6]C[5a,6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6]2H)(O[6]C[5a,6])(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6]O[6])	108.9590	0.000	1	108.9590	0.000	1	108.8455	0.026	2	107.3849	17.416	15	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[3x6]-4:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6]O[6])	108.7320	0.000	1	108.7320	0.000	1	108.8455	0.026	2	107.3849	17.416	15	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[5,6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]O[6])	C[6,6](C[5,6,6]C[5,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[5,6,6]C[6]O[6])	107.2280	0.000	1	107.2280	0.000	1	107.2280	0.000	1	107.3849	17.416	15	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[5,6]-4:O[6,6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]O[5]H)(O[6,6]C[6,6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]O[6,6]H)(C[6]C[6]CC)(H)2	H(C[6,6]C[5,6]O[6,6]C[6])	C[6,6](C[5,6]C[5,6]O[5]H)(O[6,6]C[6,6])(C[6]C[6]HH)(H){1|H<1>,2|O<2>,5|C<4>}	C[6](C[6,6]C[5,6]O[6,6]H)(C[6]C[6]CC)(H)2{2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[5,6]O[6,6]C[6])	107.0260	0.000	1	107.0260	0.000	1	107.0260	0.000	1	107.3849	17.416	15	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a])(C[6]C[6]HH)(H){2|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.5440	0.000	1	108.5440	0.000	1	100.6030	126.119	2	107.3849	17.416	15	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	92.6620	0.000	1	92.6620	0.000	1	100.6030	126.119	2	107.3849	17.416	15	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6,6]-4:O[6,6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(O[6,6]C[6,6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]O[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]O[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(O[6,6]C[6,6])(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]O[6,6]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6,6]C[6,6]O[6,6]C[6])	107.0050	0.000	1	107.0050	0.000	1	107.0050	0.000	1	107.3849	17.416	15	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]O[6]H)(O[6]C[5,6,6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6,6]O[6]H)(O[6]C[5,6,6])(C[6]C[6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.3050	0.180	2	109.3050	0.032	2	108.8931	0.708	7	107.3849	17.416	15	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[5,6,6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[5,6,6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.3030	0.000	1	108.3030	0.000	1	108.8931	0.708	7	107.3849	17.416	15	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.0360	0.004	2	109.3333	0.265	3	108.8931	0.708	7	107.3849	17.416	15	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.9280	0.000	1	109.3333	0.265	3	108.8931	0.708	7	107.3849	17.416	15	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<2>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	107.3390	0.000	1	107.3390	0.000	1	108.8931	0.708	7	107.3849	17.416	15	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6,6]-4:S[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(S[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]S[6])	C[6,6](C[6,6]C[6]N[6]H)(S[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]S[6])	108.3660	0.000	1	108.3660	0.000	1	108.3660	0.000	1	107.3849	17.416	15	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[3x6]-4:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(O[6]C[6,6a])(C[6]C[6]HO)(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CH)(OC)(H)	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6]2H)(O[6]C[6,6a])(C[6]C[6]HO)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6,6]C[3x6]C[6]O[6])	108.3370	0.000	1	108.3370	0.000	1	108.3370	0.000	1	108.3370	0.000	1	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:2:4:1:	4:4:3:1:	4:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(CHO)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]CH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(CHO)(H){1|C<4>,1|H<1>,6|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	109.4750	0.000	1	109.4750	0.000	1	109.4750	0.000	1	109.5195	0.004	2	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:2:4:1:	4:4:3:1:	4:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HN)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(NOO)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HN)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(NOO)(H){1|C<4>,1|H<1>,6|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	109.5640	0.000	1	109.5640	0.000	1	109.5640	0.000	1	109.5195	0.004	2	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:2:4:1:	4:4:4:1:	4:	C[4,6,6]-4:O[6,6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2C)(O[6,6]C[6,6])(C[6]C[6]2H)(H)	C[6](C[6,6]C[4,6,6]O[6,6]H)(C[6]C[6]HH)2(H)	H(C[6,6]C[4,6,6]O[6,6]C[6])	C[6,6](C[4,6,6]C[4,6]2C)(O[6,6]C[6,6])(C[6]C[6]2H)(H){1|C<3>,1|N<2>,3|C<4>,7|H<1>}	C[6](C[6,6]C[4,6,6]O[6,6]H)(C[6]C[6]HH)2(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[4,6,6]O[6,6]C[6])	107.9890	0.000	1	107.9890	0.000	1	107.9890	0.000	1	107.9890	0.000	1	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:2:1:	3:4:1:1:	4:	C[6]-4:C[6,6]-3:S[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(C[6,6]N[6]2)(S[6]C[6,6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(H)2	H(C[6,6]C[6,6]C[6]S[6])	C[6,6](C[6]C[6,6a]HH)(C[6,6]N[6]2)(S[6]C[6,6a])(H){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(H)2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	H(C[6,6]C[6,6]C[6]S[6])	108.6530	0.000	1	108.6530	0.000	1	108.6530	0.000	1	108.6530	0.000	1	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:2:1:	4:3:2:1:	4:	C[6]-4:C[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]O[6]H)(C[6,6]C[6]2)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6]C[6a]O[6]H)(C[6,6]C[6]2)(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.1700	0.000	1	109.1700	0.000	1	109.1700	0.000	1	109.1700	0.000	1	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:2:1:	4:3:3:1:	4:	C[6]-4:C[6,6]-3:S[6]-2:H-1:	C[6,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(S[6]C[6,6a])(H)	C[6](C[6,6]C[6,6]S[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6]C[6]S[6])	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(S[6]C[6,6a])(H){1|H<1>,7|C<3>}	C[6](C[6,6]C[6,6]S[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]S[6])	107.5090	0.000	1	107.5090	0.000	1	107.5090	0.000	1	107.5090	0.000	1	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:2:1:	4:3:4:1:	4:	C[6]-4:C[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[5a]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6,6]O)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6,6]O)(O[6]C[6])(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.2830	0.000	1	110.2830	0.000	1	110.2830	0.000	1	110.2830	0.000	1	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6,6]C)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6,6]C)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|N<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	109.2325	0.317	8	109.2325	0.101	8	109.2325	0.101	8	108.5603	0.700	17	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:N[6,6]-3:H-1:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[5a,6]HH)(C[6]N[5,6]O)(N[6,6]C[6]2)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[5a,6]HH)(C[6]N[5,6]O)(N[6,6]C[6]2)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2{1|C<4>,1|O<1>,2|N<3>,3|C<3>}	H(C[6,6]N[6,6]C[6]2)	107.7880	0.000	1	107.7880	0.000	1	107.7880	0.000	1	108.5603	0.700	17	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(C[6]C[6]O)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,3|C<4>}	H(C[6,6]N[6,6]C[6]2)	108.0440	0.048	2	108.0440	0.002	2	107.7013	0.091	6	108.5603	0.700	17	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]H)(C[6]N[5,6]O)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]H)(C[6]N[5,6]O)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	H(C[6,6]N[6,6]C[6]2)	107.3050	0.000	1	107.3050	0.000	1	107.7013	0.091	6	108.5603	0.700	17	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6]2)(C[6]N[6]O)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6]2)(C[6]N[6]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2{1|C<4>,1|O<1>,2|N<3>,3|C<3>}	H(C[6,6]N[6,6]C[6]2)	107.6050	0.125	3	107.6050	0.016	3	107.7013	0.091	6	108.5603	0.700	17	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]N[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]N[6]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[6,6]N[6,6]C[6]2)	108.0450	0.000	1	108.8345	1.247	2	108.8345	1.247	2	108.5603	0.700	17	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]N[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]N[6]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[6,6]N[6,6]C[6]2)	109.6240	0.000	1	108.8345	1.247	2	108.8345	1.247	2	108.5603	0.700	17	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:3:1:	4:3:2:1:	4:	C[6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]O[6]H)(C[6,6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]O[6]H)(C[6,6]C[6,6]H)(C[6]C[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.2000	0.000	1	109.2000	0.000	1	109.2000	0.000	1	109.2000	0.000	1	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]N[6]H)(N[6,6]C[6]2)(C[6]N[6]O)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6a]N[6]H)(N[6,6]C[6]2)(C[6]N[6]O)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	H(C[6,6]N[6,6]C[6]2)	107.1040	0.000	1	107.1040	0.000	1	107.1040	0.000	1	107.2020	0.053	4	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]N[6]H)(N[6,6]C[6]2)(C[6]N[6]O)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6a]N[6]H)(N[6,6]C[6]2)(C[6]N[6]O)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,5|C<3>}	H(C[6,6]N[6,6]C[6]2)	107.2347	0.270	3	107.2347	0.073	3	107.2347	0.073	3	107.2020	0.053	4	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:3:1:	4:3:3:4:	4:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]C)(N[6,6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(CF3)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]C)(N[6,6]C[6]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(CF3){1|F<1>,3|H<1>,5|C<3>}	H(C[6,6]N[6,6]C[6]2)	107.0160	0.000	1	107.0160	0.000	1	107.0160	0.000	1	107.2295	0.091	2	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:3:1:	4:3:3:4:	4:	C[6]-4:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[6]C[6a]2C[6])(N[6,6]C[6]2)(N[6]C[6]C)(H)	C[6](C[6,6]N[6,6]N[6]H)(C[6a]C[6a]2)2(C[6]N[6]HH)	H(C[6,6]N[6,6]C[6]N[6])	C[6,6](C[6]C[6a]2C[6])(N[6,6]C[6]2)(N[6]C[6]C)(H){2|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[6,6]N[6,6]N[6]H)(C[6a]C[6a]2)2(C[6]N[6]HH){2|C<4>,4|H<1>,7|C<3>}	H(C[6,6]N[6,6]C[6]N[6])	107.4430	0.000	1	107.4430	0.000	1	107.4430	0.000	1	107.2295	0.091	2	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:3:1:	4:3:4:3:	4:	C[6]-4:C[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[5a]-3:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[5a]C[5a]N[5a])(C[6]C[6]HH)(COO)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2)(N[6]C[6]C)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[5a]C[5a]N[5a])(C[6]C[6]HH)(COO){3|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	107.1474	0.353	5	107.1132	0.107	6	107.1132	0.107	6	107.1132	0.107	6	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:3:1:	4:3:4:3:	4:	C[6]-4:C[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[5a]-3:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[5a]C[5a]N[5a])(C[6]C[6]HH)(COO)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[5a]C[5a]N[5a])(C[6]C[6]HH)(COO){3|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]N[6])	106.9420	0.000	1	107.1132	0.107	6	107.1132	0.107	6	107.1132	0.107	6	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.5550	0.000	1	108.5550	0.000	1	108.5550	0.000	1	108.4916	1.343	9	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(C[6]C[6]CH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2{1|C<2>,1|H<1>,1|N<3>,2|C<3>,3|C<4>}	H(C[6,6]N[6,6]C[6]2)	108.3750	0.000	2	108.3750	0.000	2	108.3750	0.000	2	108.4916	1.343	9	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(C[6]N[6,6]HO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(C[6]N[6,6]HO)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.5190	0.000	1	107.5190	0.000	1	108.5198	2.141	6	108.4916	1.343	9	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(C[6]N[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(C[6]N[6]HH)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	106.1130	0.000	1	106.1130	0.000	1	108.5198	2.141	6	108.4916	1.343	9	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(C[6]O[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	110.1240	0.000	1	110.1240	0.000	1	108.5198	2.141	6	108.4916	1.343	9	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]C[6]H)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]C[6]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[6,6]N[6,6]C[6]2)	108.9315	0.199	2	108.9315	0.039	2	108.5198	2.141	6	108.4916	1.343	9	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]C[6]HN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]C[6]HN)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]N[6,6]C[6]2)	109.5000	0.000	1	109.5000	0.000	1	108.5198	2.141	6	108.4916	1.343	9	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[5a,6]HN)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]H)(NCC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5a,6]HN)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]H)(NCC)(H){1|N<2>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	106.2080	0.000	1	106.2080	0.000	1	106.2080	0.000	1	106.3647	0.403	3	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	H(C[6,6]C[6,6]C[6]2)	105.8230	0.000	1	105.8230	0.000	1	105.8230	0.000	1	106.3647	0.403	3	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]C[6a]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6,6a]C[6a]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,5|C<3>,5|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.0630	0.000	1	107.0630	0.000	1	107.0630	0.000	1	106.3647	0.403	3	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	3:4:3:3:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:C-3:C-3:	C[6,6]-4:	C[6,6](C[6]C[5a,6]CC)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(COO)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5a,6]CC)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,2|N<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(COO)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4000	0.000	1	108.4000	0.000	1	108.4000	0.000	1	108.4000	0.000	1	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	3:4:4:4:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6]C[5a,6]CC)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5a,6]CC)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CH3)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8390	0.000	1	107.8390	0.000	1	107.8390	0.000	1	107.8390	0.000	1	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]O)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]O)(C[6]O[6]HH)(H){4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.1370	0.000	1	106.1370	0.000	1	106.8395	0.987	2	107.1810	1.049	4	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]O[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.5420	0.000	1	107.5420	0.000	1	106.8395	0.987	2	107.1810	1.049	4	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:S[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]S[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]S[6]HH)(H){1|C<4>,1|H<1>,3|C<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6])(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4430	0.000	1	108.4430	0.000	1	108.4430	0.000	1	107.1810	1.049	4	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(C[6]O[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	106.6020	0.000	1	106.6020	0.000	1	106.6020	0.000	1	107.1810	1.049	4	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CH)(C[6]N[5a,6]O)(C[6]O[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]CH)(C[6]N[5a,6]O)(C[6]O[6]CH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2350	0.000	1	108.2350	0.000	1	108.2350	0.000	1	108.2350	0.000	1	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[3,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3,6]C[3,6]C[3]H)(N[6,6]C[6,6a]C[6])(C[6]N[6]HH)(H)	C[6](C[6,6]C[3,6]N[6,6]H)(N[6]C[6]S)(H)2	H(C[6,6]C[3,6]N[6,6]C[6])	C[6,6](C[3,6]C[3,6]C[3]H)(N[6,6]C[6,6a]C[6])(C[6]N[6]HH)(H){1|S<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[3,6]N[6,6]H)(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3,6]N[6,6]C[6])	107.3780	0.000	1	107.3780	0.000	1	107.3780	0.000	1	108.2913	1.502	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]C)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6,6]C[3x6]C[6]2)	107.0515	0.292	2	107.0515	0.085	2	106.8463	0.169	3	108.2913	1.502	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(H)2{1|O<1>,2|C<3>,3|C<4>}	H(C[6,6]C[3x6]C[6]2)	106.4360	0.000	1	106.4360	0.000	1	106.8463	0.169	3	108.2913	1.502	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[5a,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[5a,6]H)(C[6]C[6]C)(H)2	H(C[6,6]C[5,6,6]C[5a,6]C[6])	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,5|C<3>}	C[6](C[6,6]C[5,6,6]C[5a,6]H)(C[6]C[6]C)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6,6]C[5,6,6]C[5a,6]C[6])	107.2910	0.000	1	107.3580	0.009	2	107.3580	0.009	2	108.2913	1.502	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[5a,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[5a,6]H)(C[6]C[6]C)(H)2	H(C[6,6]C[5,6,6]C[5a,6]C[6])	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|C<4>,5|C<3>}	C[6](C[6,6]C[5,6,6]C[5a,6]H)(C[6]C[6]C)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6,6]C[5,6,6]C[5a,6]C[6])	107.4250	0.000	1	107.3580	0.009	2	107.3580	0.009	2	108.2913	1.502	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6,6]-4:N[6,6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]O[5]C)(N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]N[6,6a]H)(C[6]C[6]O)(H)2	H(C[6,6]C[5,6,6]N[6,6a]C[6])	C[6,6](C[5,6,6]C[5,6,6]O[5]C)(N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|H<1>,2|C<3>,2|O<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]N[6,6a]H)(C[6]C[6]O)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[5,6,6]N[6,6a]C[6])	108.9660	0.000	1	108.9660	0.000	1	108.9660	0.000	1	108.2913	1.502	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(N[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6,6]O)(H)2	H(C[6,6]C[5,6,6]C[6]N[6])	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(N[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6,6]O)(H)2{1|O<2>,2|C<3>,4|C<4>}	H(C[6,6]C[5,6,6]C[6]N[6])	107.5340	0.000	1	107.5340	0.000	1	107.5340	0.000	1	108.2913	1.502	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6a]C[5,6]O)(C[6,6]C[6,6]C[5])(C[6]N[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(N[6]C[6]C)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6a]C[5,6]O)(C[6,6]C[6,6]C[5])(C[6]N[6]HH)(H){2|H<1>,3|C<4>,5|C<3>}	C[6](C[6,6]C[5,6]C[6,6]H)(N[6]C[6]C)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.8460	0.124	2	108.8460	0.015	2	108.8168	0.022	6	108.2913	1.502	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6a]C[5,6]O)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(N[6]C[6]C)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6a]C[5,6]O)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.8023	0.175	4	108.8023	0.031	4	108.8168	0.022	6	108.2913	1.502	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6,6]C[5]Si)(N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)	C[6](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6,6]C[5,6]N[6,6]C[6])	C[6,6](C[5,6]C[5,6,6]C[5]Si)(N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|Si<4>,1|H<1>,2|C<3>,4|C<4>}	H(C[6,6]C[5,6]N[6,6]C[6])	108.7140	0.000	1	108.7140	0.000	1	108.7140	0.000	1	108.2913	1.502	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.2030	0.197	2	108.1207	0.040	3	108.1207	0.040	3	108.2913	1.502	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.9560	0.000	1	108.1207	0.040	3	108.1207	0.040	3	108.2913	1.502	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|O<1>,4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.8330	0.000	1	104.8330	0.000	1	107.4317	10.429	3	108.2913	1.502	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]O)(H)2{3|C<3>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	106.4150	0.000	1	106.4150	0.000	1	107.4317	10.429	3	108.2913	1.502	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	111.0470	0.000	1	111.0470	0.000	1	107.4317	10.429	3	108.2913	1.502	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]Br)(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]Br)(C[6]C[6,6a]O)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|Br<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.1580	0.000	1	108.1580	0.000	1	108.2156	0.754	12	108.2913	1.502	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]C[6]2)	109.0705	1.730	2	109.0705	2.994	2	108.2156	0.754	12	108.2913	1.502	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6,6]C)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]2)	108.5205	0.204	2	108.5213	0.115	4	108.2156	0.754	12	108.2913	1.502	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6,6]C)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[6,6]C[6,6]C[6]2)	108.9110	0.000	1	108.5213	0.115	4	108.2156	0.754	12	108.2913	1.502	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6,6]C)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|N<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]2)	108.1330	0.000	1	108.5213	0.115	4	108.2156	0.754	12	108.2913	1.502	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7065	1.184	2	107.7065	1.403	2	108.2156	0.754	12	108.2913	1.502	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|S<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.5690	0.197	2	107.5967	0.022	3	108.2156	0.754	12	108.2913	1.502	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.6520	0.000	1	107.5967	0.022	3	108.2156	0.754	12	108.2913	1.502	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6,6]-4:N[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[5,6]H)(C[6]C[5,6]O)(H)2	H(C[6,6]C[6,6]N[5,6]C[6])	C[6,6](C[6,6]C[5,6,6]HH)(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]N[5,6]H)(C[6]C[5,6]O)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[6,6]N[5,6]C[6])	108.2630	0.000	1	108.2630	0.000	1	108.2630	0.000	1	108.2913	1.502	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|N<4>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	108.7400	0.000	1	108.7400	0.000	1	107.3055	4.116	2	108.2913	1.502	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,5|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	105.8710	0.000	1	105.8710	0.000	1	107.3055	4.116	2	108.2913	1.502	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6a]C[6]N[6])(N[6]C[6a]N[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6a]C[6]N[6])(N[6]C[6a]N[6])(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|S<4>,6|C<3>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	H(C[6,6]C[6,6]C[6]N[6])	108.0440	0.000	1	108.0440	0.000	1	108.0440	0.000	1	108.2913	1.502	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[5a,6]HN)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5a,6]HN)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	106.1710	0.000	1	106.1710	0.000	1	107.3920	2.982	2	108.2913	1.502	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.6130	0.000	1	108.6130	0.000	1	107.3920	2.982	2	108.2913	1.502	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]N[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]N[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8500	0.000	1	107.8500	0.000	1	107.8500	0.000	1	108.2913	1.502	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]C[5])(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]C[5])(C[6]N[6]HH)(H){2|H<1>,3|C<4>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3600	0.003	2	108.3600	0.000	2	109.0071	1.217	14	108.2913	1.502	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.9882	0.105	4	108.9882	0.011	4	109.0071	1.217	14	108.2913	1.502	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]N[6]HH)(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8965	0.342	2	106.8965	0.117	2	109.0071	1.217	14	108.2913	1.502	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.8155	0.124	2	109.9390	0.143	6	109.0071	1.217	14	108.2913	1.502	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	110.1690	0.337	2	109.9390	0.143	6	109.0071	1.217	14	108.2913	1.502	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.8325	0.654	2	109.9390	0.143	6	109.0071	1.217	14	108.2913	1.502	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]N[6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HO)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]N[6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,4|H<1>,5|C<4>}	H(C[6,6]N[6,6]C[6]2)	108.1670	0.981	2	108.1670	0.963	2	108.1670	0.963	2	108.2913	1.502	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(C[6]N[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]H)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(C[6]N[6]HH)(H){2|H<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6,6]N[6,6]C[6]2)	110.6250	0.000	1	110.6250	0.000	1	110.6250	0.000	1	108.2913	1.502	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:2:1:	4:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]O)(OH)(H)	H(C[6,6]C[5,6,6]C[6,6a]C[6])	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]O)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6,6]C[5,6,6]C[6,6a]C[6])	108.1300	0.000	1	108.1300	0.000	1	108.1300	0.000	1	107.5426	0.663	7	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:2:1:	4:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[6,6]C[5,6,6]C[6,6a]C[6])	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(H){3|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[5,6,6]C[6,6a]C[6])	108.2270	0.000	1	108.2270	0.000	1	108.2270	0.000	1	107.5426	0.663	7	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HO)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.1240	0.000	1	107.2545	1.512	2	107.2545	1.512	2	107.5426	0.663	7	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HO)(H){1|Se<2>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	106.3850	0.000	1	107.2545	1.512	2	107.2545	1.512	2	107.5426	0.663	7	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:Se-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]SeH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(SeC[6a])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]SeH)(H){1|Se<2>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(SeC[6a])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	106.4070	0.000	1	106.4070	0.000	1	106.4070	0.000	1	107.5426	0.663	7	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:2:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]H)(OH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.9880	0.000	1	107.9880	0.000	1	107.9880	0.000	1	107.5426	0.663	7	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:2:1:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:O-2:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(C[6]N[6,6]HO)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(OH)(H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(C[6]N[6,6]HO)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(OH)(H){2|C<3>,4|C<4>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.5370	0.000	1	107.5370	0.000	1	107.5370	0.000	1	107.5426	0.663	7	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:2:2:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6]H)(C[6]C[6]OO)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]H)(OC)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6]H)(C[6]C[6]OO)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]H)(OC)2{1|C<3>,1|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.4230	0.000	1	108.4230	0.000	1	108.4230	0.000	1	108.4230	0.000	1	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:3:1:	4:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:C-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(N[6]C[6]C)(COO)(H)	H(C[6,6]C[5,6,6]C[6,6a]C[6])	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|C<4>,2|N<3>,4|H<1>,5|C<3>}	C[6](C[6,6]C[5,6,6]C[6,6a]H)(N[6]C[6]C)(COO)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[5,6,6]C[6,6a]C[6])	106.6950	0.291	2	106.6950	0.085	2	106.6950	0.085	2	108.6097	0.621	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:3:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.7060	0.000	1	108.7060	0.000	1	107.4396	0.974	7	108.6097	0.621	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:3:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|P<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|B<4>,2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4940	0.563	2	106.4940	0.317	2	107.4396	0.974	7	108.6097	0.621	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:3:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|S<4>,2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2895	0.054	2	108.2895	0.003	2	107.4396	0.974	7	108.6097	0.621	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:3:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]N[6]HH)(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9020	0.332	2	106.9020	0.110	2	107.4396	0.974	7	108.6097	0.621	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:3:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]C)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){2|C<4>,4|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4850	0.000	1	108.4850	0.000	1	108.8629	0.202	48	108.6097	0.621	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:3:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]N)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]N)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.7173	0.273	4	108.7173	0.075	4	108.8629	0.202	48	108.6097	0.621	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:3:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|Br<1>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.7465	0.016	2	108.7155	0.016	37	108.8629	0.202	48	108.6097	0.621	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:3:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|Cl<1>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.7510	0.168	2	108.7155	0.016	37	108.8629	0.202	48	108.6097	0.621	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:3:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|F<1>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.7680	0.044	2	108.7155	0.016	37	108.8629	0.202	48	108.6097	0.621	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:3:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.7382	0.082	6	108.7155	0.016	37	108.8629	0.202	48	108.6097	0.621	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:3:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.7579	0.121	15	108.7155	0.016	37	108.8629	0.202	48	108.6097	0.621	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:3:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.7015	0.025	2	108.7155	0.016	37	108.8629	0.202	48	108.6097	0.621	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:3:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|Br<1>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.6175	0.040	2	108.7155	0.016	37	108.8629	0.202	48	108.6097	0.621	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:3:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|F<1>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3880	0.000	1	108.7155	0.016	37	108.8629	0.202	48	108.6097	0.621	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:3:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5990	0.159	3	108.7155	0.016	37	108.8629	0.202	48	108.6097	0.621	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:3:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.6605	0.186	2	108.7155	0.016	37	108.8629	0.202	48	108.6097	0.621	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:3:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.8015	0.131	2	109.8015	0.017	2	108.8629	0.202	48	108.6097	0.621	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:3:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	110.1525	0.346	2	109.9973	0.243	4	108.8629	0.202	48	108.6097	0.621	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:3:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.8420	0.716	2	109.9973	0.243	4	108.8629	0.202	48	108.6097	0.621	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:3:1:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){2|C<4>,3|C<3>,6|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.4750	0.000	1	108.4750	0.000	1	108.4750	0.000	1	108.6097	0.621	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:3:2:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-3:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]CO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]CO)(H){2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]2)	108.2820	0.372	2	108.2820	0.138	2	108.2820	0.138	2	108.2820	0.138	2	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[5,5,6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6,6]C[6,6]C)(C[6]C[6]CH)(H)	C[6](C[6,6]C[5,5,6,6]N[6,6]H)(C[6]C[6]O)(CH3)(H)	H(C[6,6]C[5,5,6,6]N[6,6]C[6])	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6,6]C[6,6]C)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,5,6,6]N[6,6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6,6]C[5,5,6,6]N[6,6]C[6])	108.3300	0.000	1	108.2565	0.011	2	108.2565	0.011	2	108.3295	6.012	17	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[5,5,6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6,6]C[6,6]C)(C[6]C[6]CH)(H)	C[6](C[6,6]C[5,5,6,6]N[6,6]H)(C[6]C[6]O)(CH3)(H)	H(C[6,6]C[5,5,6,6]N[6,6]C[6])	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6,6]C[6,6]C)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,5,6,6]N[6,6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6,6]C[5,5,6,6]N[6,6]C[6])	108.1830	0.000	1	108.2565	0.011	2	108.2565	0.011	2	108.3295	6.012	17	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:P-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]N[6]O)(PO3)(H)	H(C[6,6]C[5,6,6]C[6,6a]C[6])	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]N[6]O)(PO3)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[5,6,6]C[6,6a]C[6])	110.4320	0.000	1	110.4320	0.000	1	110.4320	0.000	1	108.3295	6.012	17	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]O)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(CCHH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]O)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(CCHH)(H){1|O<1>,2|C<3>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.7070	0.000	1	106.7070	0.000	1	106.7070	0.000	1	108.3295	6.012	17	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6,6]N)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6,6]N)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0980	0.000	1	108.0980	0.000	1	109.0904	9.594	8	108.3295	6.012	17	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	112.6895	5.349	2	111.2083	20.889	3	109.0904	9.594	8	108.3295	6.012	17	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2460	0.000	1	111.2083	20.889	3	109.0904	9.594	8	108.3295	6.012	17	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,3|C<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5130	0.000	1	108.5130	0.000	1	109.0904	9.594	8	108.3295	6.012	17	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9230	0.000	1	107.9230	0.000	1	109.0904	9.594	8	108.3295	6.012	17	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]S[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]S[6]HH)(H){1|C<4>,1|H<1>,3|C<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|Br<1>,1|N<3>,1|S<2>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.4440	0.000	1	108.4440	0.000	1	109.0904	9.594	8	108.3295	6.012	17	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HP)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)(H){1|P<4>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HP)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.1200	0.000	1	106.1200	0.000	1	109.0904	9.594	8	108.3295	6.012	17	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(N[6,6]O[6]2)(C[6]C[6]CC)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(N[6,6]O[6]2)(C[6]C[6]CC)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|H<1>,5|C<3>}	H(C[6,6]N[6,6]C[6]2)	107.0143	1.510	3	107.0454	2.269	5	107.0454	2.269	5	108.3295	6.012	17	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(N[6,6]O[6]2)(C[6]C[6]CC)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(N[6,6]O[6]2)(C[6]C[6]CC)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,3|H<1>,4|C<3>}	H(C[6,6]N[6,6]C[6]2)	105.5900	0.000	1	107.0454	2.269	5	107.0454	2.269	5	108.3295	6.012	17	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(N[6,6]O[6]2)(C[6]C[6]CC)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(N[6,6]O[6]2)(C[6]C[6]CC)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,2|O<2>,3|C<4>,4|C<3>}	H(C[6,6]N[6,6]C[6]2)	108.5940	0.000	1	107.0454	2.269	5	107.0454	2.269	5	108.3295	6.012	17	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:4:4:	4:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]O)(CH3)2	H(C[6,6]C[5,6,6]C[6,6a]C[6])	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]O)(CH3)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6,6]C[5,6,6]C[6,6a]C[6])	108.5470	0.000	1	108.5470	0.000	1	108.5470	0.000	1	106.7240	6.647	2	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]O)(C[6]C[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]O)(C[6]C[6]CC)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.9010	0.000	1	104.9010	0.000	1	104.9010	0.000	1	106.7240	6.647	2	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[3,6,6]C[6,6]C[6])	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[3,6,6]C[6,6]C[6])	106.7990	0.000	1	106.7990	0.000	1	106.7990	0.000	1	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3,6,6]C[5,6,6]C[3]O[3])(C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]N[5,6]HH)(H)2	H(C[6,6]C[3,6,6]C[6]2)	C[6,6](C[3,6,6]C[5,6,6]C[3]O[3])(C[6]C[5,6]C)(C[6]C[6]HH)(H){2|C<4>,2|N<3>,4|H<1>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]N[5,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	H(C[6,6]C[3,6,6]C[6]2)	108.5770	0.000	1	108.5770	0.000	1	108.5770	0.000	1	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]N)(C[6,6]C[6,6]N)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]N[6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[3x6]C[6,6]N)(C[6,6]C[6,6]N)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|N<3>,5|H<1>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]N[6]HH)(H)2{1|N<2>,1|N<3>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]C[6])	109.7240	0.000	1	109.7240	0.000	1	108.7380	1.684	5	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2)(C[6]C[6]HH)(H){10|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[3x6]C[6,6]C[6])	106.4750	0.000	1	106.4750	0.000	1	108.7380	1.684	5	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<2>,2|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]C[6])	109.1810	0.000	1	109.1637	0.049	3	108.7380	1.684	5	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<3>,2|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]C[6])	109.1550	0.311	2	109.1637	0.049	3	108.7380	1.684	5	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[3x6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6a]C[3x6]C[6])	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6a]C[3x6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6a]C[3x6]C[6])	105.1170	0.000	1	105.1170	0.000	1	105.1170	0.000	1	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]N[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]N[6,6]O)(C[6]C[6]HH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|N<3>,3|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.3680	0.000	1	106.3680	0.000	1	106.3680	0.000	1	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]2)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[4x6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]C[6])	C[6,6](C[4x6]C[5,3x6]C[6,6]2)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){2|O<2>,4|C<4>,9|H<1>}	C[6](C[6,6]C[4x6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[4x6]C[6,6]C[6])	107.0450	0.000	1	107.0450	0.000	1	106.7190	0.213	2	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]2)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]C[6])	C[6,6](C[4x6]C[5,3x6]C[6,6]2)(C[6,6]C[6]2)(C[6]C[6]HH)(H){10|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[4x6]C[6,6]C[6])	106.3930	0.000	1	106.3930	0.000	1	106.7190	0.213	2	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[5,3x6]C[6]2)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6,6]H)(C[6]C[6]HH)(H){2|N<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[5,3x6]C[6]2)	109.4865	0.595	2	109.4865	0.354	2	109.4865	0.354	2	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,5,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,5,6]C[5,5,6]N[5]O[5])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,5,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,5,6]N[6,6]C[6])	C[6,6](C[5,5,6]C[5,5,6]N[5]O[5])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[5,5,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[5,5,6]N[6,6]C[6])	107.3890	0.000	1	107.3890	0.000	1	107.3890	0.000	1	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5a,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[5,6,6]C[5a,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[5,6,6]C[5a,6]C[6])	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H){1|N<4>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[5a,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,1|N<4>,2|C<4>,5|H<1>}	H(C[6,6]C[5,6,6]C[5a,6]C[6])	109.3090	0.000	1	109.3090	0.000	1	109.3090	0.000	1	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,6|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	106.2710	1.051	2	106.2710	1.104	2	107.3737	4.200	3	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	109.5790	0.000	1	109.5790	0.000	1	107.3737	4.200	3	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6a]C[6])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6,6]C[5,6,6]C[6,6a]C[6])	106.6845	0.021	2	106.7987	0.039	3	106.7180	0.033	5	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6a]C[6])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6,6]C[5,6,6]C[6,6a]C[6])	107.0270	0.000	1	106.7987	0.039	3	106.7180	0.033	5	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[6,6a]C[5,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6a]C[6])	C[6,6](C[5,6,6]C[6,6a]C[5,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|O<2>,3|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,4|C<3>}	H(C[6,6]C[5,6,6]C[6,6a]C[6])	106.5450	0.000	1	106.5450	0.000	1	106.7180	0.033	5	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[6,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6,6a]C[6a]H)(H)2	H(C[6,6]C[5,6,6]C[6,6a]C[6])	C[6,6](C[5,6,6]C[6,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){2|C<4>,3|H<1>,7|C<3>}	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6,6a]C[6a]H)(H)2{1|C<4>,1|N<3>,6|C<3>}	H(C[6,6]C[5,6,6]C[6,6a]C[6])	106.6490	0.000	1	106.6490	0.000	1	106.7180	0.033	5	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6,6]C)(C[6]C[6]HH)(H){4|C<4>,9|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,5|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	106.8300	0.000	1	106.8300	0.000	1	107.4277	0.456	3	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	108.1600	0.000	1	108.1600	0.000	1	107.4277	0.456	3	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	107.2930	0.000	1	107.2930	0.000	1	107.4277	0.456	3	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6,6]O[5,6]O)(N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]N[6,6]H)(C[6]C[6,6a]N[5]H)(H)2	H(C[6,6]C[5,6,6]N[6,6]C[6])	C[6,6](C[5,6,6]C[5,5,6,6]O[5,6]O)(N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]N[6,6]H)(C[6]C[6,6a]N[5]H)(H)2{2|C<4>,2|O<2>,4|C<3>}	H(C[6,6]C[5,6,6]N[6,6]C[6])	106.9760	0.000	1	106.9760	0.000	1	107.0250	0.005	2	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]O[5]C)(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]N[6,6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[5,6,6]N[6,6]C[6])	C[6,6](C[5,6,6]C[5,6,6]O[5]C)(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]N[6,6]H)(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6,6]N[6,6]C[6])	107.0740	0.000	1	107.0740	0.000	1	107.0250	0.005	2	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]N[6])	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[5,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[5,6,6]C[6]N[6])	107.8930	0.000	1	107.8930	0.000	1	107.8930	0.000	1	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[5,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,1|S<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[5,6]C[6])	107.0330	0.000	1	107.7997	0.446	3	107.7505	0.307	4	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[5,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[5,6]C[6])	108.1830	0.105	2	107.7997	0.446	3	107.7505	0.307	4	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5,6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5]2C[6])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[5,6]C[6])	C[6,6](C[5,6]C[5]2C[6])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[5,6,6]C[5,6]C[6])	107.6030	0.000	1	107.6030	0.000	1	107.7505	0.307	4	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5a,6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5a,6,6]C[5,6]C[6])	C[6,6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[5a,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,4|C<3>}	H(C[6,6]C[5a,6,6]C[5,6]C[6])	107.6290	0.000	1	107.6290	0.000	1	107.6290	0.000	1	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[5,6]C[6,6]C[6])	104.7980	0.000	1	105.2370	0.385	2	106.4977	4.961	3	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.6760	0.000	1	105.2370	0.385	2	106.4977	4.961	3	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]2)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>,3|O<2>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]2)(H)2{2|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.0190	0.000	1	109.0190	0.000	1	106.4977	4.961	3	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.4650	0.000	1	106.4650	0.000	1	107.5541	2.212	33	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.7035	0.288	2	107.2921	1.287	10	107.5541	2.212	33	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.7940	0.000	1	107.2921	1.287	10	107.5541	2.212	33	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.6980	0.000	1	107.2921	1.287	10	107.5541	2.212	33	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.7800	0.305	2	107.2921	1.287	10	107.5541	2.212	33	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.0650	0.000	1	107.2921	1.287	10	107.5541	2.212	33	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.3540	0.000	1	107.2921	1.287	10	107.5541	2.212	33	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.1970	0.000	1	107.2921	1.287	10	107.5541	2.212	33	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){3|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.8460	0.000	1	107.2921	1.287	10	107.5541	2.212	33	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<2>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.0080	0.000	1	107.0080	0.000	1	107.5541	2.212	33	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.6730	0.000	1	109.6730	0.000	1	107.5541	2.212	33	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){1|Br<1>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.1240	0.000	1	106.6918	0.698	9	107.5541	2.212	33	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,1|S<3>,3|C<3>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.1830	0.000	1	106.6918	0.698	9	107.5541	2.212	33	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.5520	0.000	1	106.6918	0.698	9	107.5541	2.212	33	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){1|Cl<1>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.0335	0.022	2	106.6918	0.698	9	107.5541	2.212	33	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.2330	0.000	1	106.6918	0.698	9	107.5541	2.212	33	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.5670	0.000	1	106.6918	0.698	9	107.5541	2.212	33	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){2|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.0410	0.000	1	106.6918	0.698	9	107.5541	2.212	33	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){3|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.4590	0.000	1	106.6918	0.698	9	107.5541	2.212	33	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.7260	0.000	1	106.7260	0.000	1	107.5541	2.212	33	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|B<3>,1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.4360	0.000	1	106.4360	0.000	1	107.5541	2.212	33	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.0790	0.000	1	105.0790	0.000	1	107.5541	2.212	33	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.9750	0.000	1	106.9750	0.000	1	107.5541	2.212	33	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.5105	0.231	2	109.5105	0.053	2	107.5541	2.212	33	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.7420	0.025	2	109.7420	0.001	2	107.5541	2.212	33	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.8105	0.046	2	109.8105	0.002	2	107.5541	2.212	33	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]O[5,6]C[6a]C[5])(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]O[5,6]C[6a]C[5])(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.6510	0.000	1	109.6510	0.000	1	107.5541	2.212	33	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6]N[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6]N[6,6]C[6])	105.1030	0.000	1	106.3937	1.329	3	106.3937	1.329	3	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6]N[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,9|H<1>}	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[5,6]N[6,6]C[6])	107.3220	0.000	1	106.3937	1.329	3	106.3937	1.329	3	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6]N[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,8|H<1>}	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[5,6]N[6,6]C[6])	106.7560	0.000	1	106.3937	1.329	3	106.3937	1.329	3	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[3x6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(C[3x6]C[6,6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[6,6]C[3x6]C[6]H)(C[3x6]C[6,6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6,6]C[3x6]C[6,6]C[6])	106.3890	0.000	1	106.3890	0.000	1	106.3890	0.000	1	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H){1|C<3>,3|C<4>,3|O<2>,5|H<1>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2{1|C<3>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.4075	1.549	2	107.3030	1.233	3	107.3030	1.233	3	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H){1|O<1>,3|H<1>,3|O<2>,4|C<4>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2{3|C<3>,3|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.0940	0.000	1	107.3030	1.233	3	107.3030	1.233	3	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]O[5,6]C[5]H)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H){2|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]O[5,6]C[5]H)(H)2{3|C<3>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	104.5760	0.000	1	104.5760	0.000	1	104.5760	0.000	1	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[4x6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[4x6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.7005	0.639	2	106.7005	0.408	2	107.1017	1.191	4	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.6260	0.000	1	108.6260	0.000	1	107.1017	1.191	4	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{2|C<4>,4|C<3>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.3800	0.000	1	106.3800	0.000	1	107.1017	1.191	4	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6,6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6]O[6]CC)(H)2	H(C[6,6]C[6,6,6a]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(H){1|H<1>,3|C<3>,3|O<2>,4|C<4>}	C[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6]O[6]CC)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6,6a]C[6,6]C[6])	107.3740	0.000	1	107.3740	0.000	1	107.3740	0.000	1	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|O<2>,4|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]2H)(H)2{1|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	105.8170	0.163	2	105.8170	0.026	2	105.8170	0.026	2	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.9960	0.000	1	106.9960	0.000	1	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6,6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6,6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.8940	0.000	1	106.8940	0.000	1	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.8960	0.134	2	105.8960	0.018	2	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	107.6940	0.000	1	106.0705	5.272	2	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	104.4470	0.000	1	106.0705	5.272	2	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[3,5,6]CH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[3,5,6]CH)(H)2{1|C<3>,1|O<2>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.1900	0.000	1	106.1900	0.000	1	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[3,5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[3,5,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.0020	0.000	1	105.0020	0.000	1	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.8380	0.023	2	105.8633	0.639	28	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,2|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{3|C<4>,4|C<3>}	H(C[6,6]C[6,6]2C[6])	105.8240	0.718	2	105.8633	0.639	28	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.7785	0.060	2	105.8633	0.639	28	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.9260	0.610	2	105.8633	0.639	28	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	107.6680	0.000	1	105.8633	0.639	28	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.1260	0.000	1	105.8633	0.639	28	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	103.9230	0.000	1	105.8633	0.639	28	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.8430	0.097	3	105.8633	0.639	28	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){2|O<1>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{3|C<4>,4|C<3>}	H(C[6,6]C[6,6]2C[6])	105.7590	0.000	1	105.8633	0.639	28	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.7235	0.105	2	105.8633	0.639	28	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.6352	0.756	11	105.8633	0.639	28	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<1>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.6124	0.427	5	106.0136	0.634	7	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.6580	0.000	1	106.0136	0.634	7	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	107.3750	0.000	1	106.0136	0.634	7	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<2>,4|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.6720	0.000	1	106.6720	0.000	1	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,2|O<2>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	104.2610	0.000	1	105.2220	1.847	2	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<4>,2|O<2>,3|C<3>}	H(C[6,6]C[6,6]2C[6])	106.1830	0.000	1	105.2220	1.847	2	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]2C[6])	107.1110	0.000	1	107.1110	0.000	1	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|C<3>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	106.6030	0.000	1	106.1094	0.765	33	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|C<3>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	105.5080	0.000	1	106.1094	0.765	33	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.9860	0.000	1	106.1094	0.765	33	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	105.7490	0.000	1	106.1094	0.765	33	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	106.2750	0.630	5	106.1094	0.765	33	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{3|C<3>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	106.2540	0.000	1	106.1094	0.765	33	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.7000	0.000	1	106.1094	0.765	33	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	105.7920	0.000	1	106.1094	0.765	33	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.4565	0.166	4	106.1094	0.765	33	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.9936	0.519	7	106.1094	0.765	33	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	106.2470	0.000	1	106.1094	0.765	33	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.5613	0.747	7	106.1094	0.765	33	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	106.3930	0.000	1	106.1094	0.765	33	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	102.2920	0.000	1	106.1094	0.765	33	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	107.0600	0.000	1	106.7191	0.113	15	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	106.4000	0.000	1	106.7191	0.113	15	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	106.7864	0.308	11	106.7191	0.113	15	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2{3|C<3>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	106.3380	0.269	2	106.7191	0.113	15	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]O[6]CH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]O[6]CH)(H)2{2|C<3>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	106.2360	0.000	1	106.5806	0.066	5	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]O[6]CH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]O[6]CH)(H)2{2|C<3>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	106.6668	0.196	4	106.5806	0.066	5	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	107.5590	0.000	1	107.5060	0.006	2	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	107.4530	0.000	1	107.5060	0.006	2	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){1|Br<1>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6,6]C[6,6]2C[6])	106.7755	0.162	2	106.7755	0.026	2	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|S<2>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	107.2840	0.000	1	107.2840	0.000	1	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]2C[6])	106.9240	0.000	1	107.5153	1.306	21	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	107.7398	1.175	16	107.5153	1.306	21	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|F<1>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]2C[6])	107.2740	0.000	1	107.5153	1.306	21	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	105.6530	0.000	1	107.5153	1.306	21	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]2C[6])	106.6680	0.000	1	107.5153	1.306	21	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]2C[6])	107.4660	0.000	1	107.5153	1.306	21	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6a]O[6]H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6a]O[6]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6,6]C[6,6]2C[6])	105.9410	0.000	1	105.9410	0.000	1	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2{3|C<3>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	106.1310	0.124	2	106.1310	0.015	2	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]3)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6]3)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<2>,1|O<1>,2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]2C[6])	106.9170	0.000	1	106.9170	0.000	1	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]O[6])(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6]N[6]O[6])(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]2C[6])	106.6360	0.000	1	106.6360	0.000	1	106.4140	1.010	131	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	N[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6]N[6,6]HH)(H)	C[6](N[6,6]C[6,6]C[6]Pd)(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6]N[6,6]HH)(H){1|Pd<5>,3|H<1>,5|C<4>}	C[6](N[6,6]C[6,6]C[6]Pd)(C[6,6]C[6,6]2H)(H)2{1|N<4>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	105.1550	1.441	2	105.1550	2.077	2	105.1550	2.077	2	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6]C[5,6]H)(C[6]C[5,6,6]O)(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,5,6]C[5,6]H)(C[6]C[5,6,6]O)(C[6]C[5,6]HH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.6820	0.000	1	105.6820	0.000	1	105.6820	0.000	1	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]CO)(C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]CO)(C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<4>,2|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.1310	0.000	1	108.1310	0.000	1	107.7040	0.730	20	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]N[5,6]H)(C[6]C[5,6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]N[5,6]H)(C[6]C[5,6]O)(C[6]C[6]HH)(H){1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2610	0.000	2	108.2610	0.000	2	107.7040	0.730	20	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]N)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]N)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2030	0.000	1	108.2030	0.000	1	107.7040	0.730	20	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]N)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]N)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,2|N<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.7840	0.000	1	108.7840	0.000	1	107.7040	0.730	20	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.5920	0.000	1	109.5920	0.000	1	107.7040	0.730	20	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6a]O)(C[6]C[6]HH)(H){1|O<2>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|O<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.2785	0.124	2	106.2785	0.015	2	107.7040	0.730	20	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]O)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3710	0.000	1	108.3710	0.000	1	107.7040	0.730	20	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9630	0.000	1	106.9630	0.000	1	107.7040	0.730	20	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4110	0.000	1	108.4110	0.000	1	107.7040	0.730	20	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]C)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.5640	0.000	1	107.5640	0.000	1	107.7040	0.730	20	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]HH)(H){2|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6270	0.000	1	107.6270	0.000	1	107.7040	0.730	20	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2910	0.000	1	107.2910	0.000	1	107.7040	0.730	20	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8925	0.006	2	106.9013	0.000	3	107.7040	0.730	20	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9190	0.000	1	106.9013	0.000	3	107.7040	0.730	20	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>,3|O<2>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.5380	0.024	2	107.5380	0.001	2	107.7040	0.730	20	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[3,6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[3,6]O)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.2830	0.000	1	108.2830	0.000	1	107.7040	0.730	20	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[3x6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[3,6]C[3x6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	108.0090	0.000	1	108.0090	0.000	1	107.7604	0.522	34	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|N<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	108.4110	0.338	2	108.4110	0.114	2	107.7604	0.522	34	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.9350	0.000	1	108.1494	0.198	14	107.7604	0.522	34	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.7480	0.000	1	108.1494	0.198	14	107.7604	0.522	34	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	108.2270	0.000	1	108.1494	0.198	14	107.7604	0.522	34	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,1|N<4>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.7350	0.000	1	108.1494	0.198	14	107.7604	0.522	34	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	108.3040	0.390	6	108.1494	0.198	14	107.7604	0.522	34	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<4>,1|O<1>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	108.7205	0.101	2	108.1494	0.198	14	107.7604	0.522	34	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.5910	0.075	2	108.1494	0.198	14	107.7604	0.522	34	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HS)(H)2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|S<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HS)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.1240	0.000	1	107.1240	0.000	1	107.7604	0.522	34	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){10|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.1190	1.216	2	107.3630	0.570	16	107.7604	0.522	34	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.6130	0.559	6	107.3630	0.570	16	107.7604	0.522	34	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<2>,1|N<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	108.6170	0.000	1	107.3630	0.570	16	107.7604	0.522	34	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.0370	0.000	1	107.3630	0.570	16	107.7604	0.522	34	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.3250	0.618	2	107.3630	0.570	16	107.7604	0.522	34	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,2|O<1>,6|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	106.9337	1.018	3	107.3630	0.570	16	107.7604	0.522	34	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<4>,1|O<1>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	106.7870	0.000	1	107.3630	0.570	16	107.7604	0.522	34	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(N[6]C[5a,6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]C[6]C)(N[6]C[5a,6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	106.6765	0.030	2	106.6765	0.001	2	105.6538	26.435	17	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(C[6]C[6]HH)(H){3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	106.7395	2.478	2	106.7395	6.143	2	105.6538	26.435	17	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H){2|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.5920	0.000	1	108.5920	0.000	1	105.6538	26.435	17	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]H)(C[6]C[6]HH)(H){2|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.9040	0.000	1	109.9040	0.000	1	105.6538	26.435	17	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	106.1440	0.000	1	106.1440	0.000	1	105.6538	26.435	17	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	103.6591	6.622	5	103.6591	43.852	5	105.6538	26.435	17	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|S<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	92.9954	0.000	1	104.6761	60.782	4	105.6538	26.435	17	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H){1|S<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|S<4>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.5697	0.463	3	104.6761	60.782	4	105.6538	26.435	17	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]S[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]S[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,1|S<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.6430	0.000	1	107.6430	0.000	1	105.6538	26.435	17	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[3,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[6a]O[3])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[3,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]C[6a]O[3])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.3550	0.000	1	108.3550	0.000	1	108.3550	0.000	1	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{2|H<1>,3|C<4>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.9190	0.000	1	108.9190	0.000	1	107.4027	2.927	3	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.5480	0.000	1	105.5480	0.000	1	107.4027	2.927	3	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|Br<1>,1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7410	0.000	1	107.7410	0.000	1	107.4027	2.927	3	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)2(H)2{1|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0820	0.000	1	107.3500	0.254	5	107.3500	0.254	5	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)2(H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1670	0.340	4	107.3500	0.254	5	107.3500	0.254	5	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[3,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[3,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0360	0.000	1	107.0360	0.000	1	108.3292	0.878	71	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9810	0.000	1	104.9810	0.000	1	108.3292	0.878	71	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,2|H<1>,6|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|H<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	109.3130	0.000	1	109.3130	0.000	1	108.3292	0.878	71	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|Br<1>,1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4700	0.000	1	106.4930	1.909	2	108.3292	0.878	71	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.5160	0.000	1	106.4930	1.909	2	108.3292	0.878	71	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.8110	0.000	1	108.8110	0.000	1	108.3292	0.878	71	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[5a,6]CC)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5a,6]CC)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.8200	0.000	1	107.8200	0.000	1	108.3292	0.878	71	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[5a,6]CC)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5a,6]CC)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,2|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,1|O<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	110.2810	0.000	1	110.2810	0.000	1	108.3292	0.878	71	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4940	0.000	1	108.4940	0.000	1	108.3292	0.878	71	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.9560	0.000	1	107.5428	0.701	5	108.3292	0.878	71	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1770	0.000	1	107.5428	0.701	5	108.3292	0.878	71	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.1937	0.392	3	107.5428	0.701	5	108.3292	0.878	71	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	105.8050	0.000	1	105.8050	0.000	1	108.3292	0.878	71	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6,6]N)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6,6]N)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0800	0.000	1	108.0800	0.000	1	108.3292	0.878	71	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.0733	0.920	3	109.0733	0.846	3	108.3292	0.878	71	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.6870	0.000	1	108.6870	0.000	1	108.3292	0.878	71	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9590	0.000	1	107.9590	0.000	1	108.3292	0.878	71	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2345	0.084	2	107.6102	1.055	5	108.3292	0.878	71	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|P<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.5480	0.641	2	107.6102	1.055	5	108.3292	0.878	71	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,3|C<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4860	0.000	1	107.6102	1.055	5	108.3292	0.878	71	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)(H){1|P<4>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.1460	0.000	1	106.1460	0.000	1	108.3292	0.878	71	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]C)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5285	0.036	2	108.5285	0.001	2	108.3292	0.878	71	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]N)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]N)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.6970	0.285	4	108.6970	0.081	4	108.3292	0.878	71	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.6652	0.154	5	108.6652	0.024	5	108.3292	0.878	71	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.7433	0.105	29	108.7183	0.017	32	108.3292	0.878	71	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4763	0.076	3	108.7183	0.017	32	108.3292	0.878	71	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]N[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]N[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8320	0.000	1	107.8320	0.000	1	108.3292	0.878	71	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[3,5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[3,5,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6,6]N[6,6]C[6]H)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[3,5,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6,6]N[6,6]C[6]H)(H)2{1|C<3>,2|H<1>,6|C<4>}	H(C[6,6]N[6,6]C[6]2)	107.1820	0.000	1	107.1820	0.000	1	107.1820	0.000	1	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[3,6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]N[6,6]C[6]H)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[3,6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]N[6,6]C[6]H)(H)2{1|C<3>,2|H<1>,6|C<4>}	H(C[6,6]N[6,6]C[6]2)	109.0430	0.000	1	109.0430	0.000	1	109.0430	0.000	1	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]N[6,6]C[6]H)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]N[6,6]C[6]H)(H)2{1|O<2>,2|H<1>,7|C<4>}	H(C[6,6]N[6,6]C[6]2)	108.8820	0.000	1	109.3010	0.079	4	109.3010	0.079	4	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]N[6,6]C[6]H)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]N[6,6]C[6]H)(H)2{1|N<3>,2|H<1>,7|C<4>}	H(C[6,6]N[6,6]C[6]2)	109.4407	0.046	3	109.3010	0.079	4	109.3010	0.079	4	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]N[6,6]C[6]H)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]N[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>,6|C<4>}	H(C[6,6]N[6,6]C[6]2)	107.5480	0.000	1	107.5480	0.000	1	107.5480	0.000	1	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[3,5,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[3,5,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.1750	0.000	1	107.1750	0.000	1	108.3833	0.636	18	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[3,6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[3,6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.9820	0.000	1	108.9820	0.000	1	108.3833	0.636	18	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6]CH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[5,6]CH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]N[6,6]C[6]2)	107.7540	0.000	2	107.7540	0.000	2	108.3833	0.636	18	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6]CO)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[5,6]CO)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,7|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]N[6,6]C[6]2)	106.8220	0.000	1	106.8220	0.000	1	108.3833	0.636	18	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.9040	0.000	1	108.9040	0.000	1	108.3833	0.636	18	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2{3|C<4>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	109.4367	0.075	3	109.4367	0.006	3	108.3833	0.636	18	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6]HO)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[5,6]HO)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,7|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.9100	0.000	1	107.9100	0.000	1	108.3833	0.636	18	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6]CO)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6,6]CO)(N[6,6]C[6]2)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[6,6]N[6,6]C[6]2)	108.2667	0.603	3	108.2667	0.364	3	108.3833	0.636	18	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.6280	0.000	1	107.6280	0.000	1	108.3833	0.636	18	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]C[6a]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]O[6]HH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6,6a]C[6a]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6,6]N[6,6]C[6]2)	108.5760	0.000	1	108.5760	0.000	1	108.3833	0.636	18	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.8815	0.196	2	108.8815	0.038	2	108.3833	0.636	18	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CC)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.5220	0.000	1	108.5220	0.000	1	108.3833	0.636	18	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	P[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:B[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](P[6]C[6a]2C[6])(C[6,6]C[6]2)(C[6]B[6]HH)(H)	C[6](C[6,6]C[6,6]P[6]H)(B[6]C[6a]2O[6])(H)2	H(C[6,6]C[6,6]C[6]P[6])	C[6,6](P[6]C[6a]2C[6])(C[6,6]C[6]2)(C[6]B[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,7|C<3>}	C[6](C[6,6]C[6,6]P[6]H)(B[6]C[6a]2O[6])(H)2{1|C<4>,8|C<3>}	H(C[6,6]C[6,6]C[6]P[6])	108.9160	0.000	1	108.9160	0.000	1	108.9160	0.000	1	107.2632	2.831	396	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HO)(OH)(H)	H(C[6,6]C[5,6,6]C[6,6a]C[6])	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HO)(OH)(H){1|N<4>,2|H<1>,3|C<3>}	H(C[6,6]C[5,6,6]C[6,6a]C[6])	106.8930	0.000	1	106.8930	0.000	1	106.8930	0.000	1	107.5444	1.401	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]O)(C[6]C[6]HO)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]O)(C[6]C[6]HO)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	108.3300	0.000	1	108.3300	0.000	1	108.3300	0.000	1	107.5444	1.401	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]CH)(CN)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){1|C<2>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]CH)(CN)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.4080	0.000	1	107.4080	0.000	1	107.4080	0.000	1	107.5444	1.401	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6,6]-4:C[5,6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HO)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OSi)(H)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HO)(H){1|C<2>,1|O<1>,3|H<1>,6|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OSi)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	108.9730	0.000	1	108.9730	0.000	1	108.9730	0.000	1	107.5444	1.401	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]C)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]C)(C[6]C[6]HO)(H){1|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.9600	0.000	1	106.9600	0.000	1	106.9458	1.174	5	107.5444	1.401	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OC)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OC)(H){2|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	107.3280	0.000	1	107.3280	0.000	1	106.9458	1.174	5	107.5444	1.401	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HO)(H){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H){2|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.9230	0.000	1	105.9230	0.000	1	106.9458	1.174	5	107.5444	1.401	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(OH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(OH)(H){2|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.9730	0.000	1	105.9730	0.000	1	106.9458	1.174	5	107.5444	1.401	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]2)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]2)(C[6]C[6]HO)(H){2|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]2C[6])	108.5450	0.000	1	108.5450	0.000	1	106.9458	1.174	5	107.5444	1.401	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,3|H<1>,3|O<2>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.3970	0.000	1	107.4040	0.000	2	107.4040	0.000	2	107.5444	1.401	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HO)(H){2|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4110	0.000	1	107.4040	0.000	2	107.4040	0.000	2	107.5444	1.401	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]S[6]2)(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(CN)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6]S[6]2)(N[6,6]C[6]2)(C[6]C[6]CH)(H){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(CN)(H){2|H<1>,2|S<2>,3|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	106.3440	0.000	1	106.3440	0.000	1	106.3440	0.000	1	107.5444	1.401	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]O[6]CH)(OH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]O[6]CH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.6360	0.000	1	108.6360	0.000	1	108.3326	1.814	7	107.5444	1.401	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]O[6]HH)(OH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]O[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.1507	0.175	3	109.1507	0.031	3	108.3326	1.814	7	107.5444	1.401	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]C)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]C)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OC)(H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	106.4020	0.229	2	106.4020	0.052	2	108.3326	1.814	7	107.5444	1.401	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.4360	0.000	1	109.4360	0.000	1	108.3326	1.814	7	107.5444	1.401	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.1490	0.000	1	106.1490	0.000	1	106.1490	0.000	1	107.5444	1.401	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6]HO)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]N[6,6]C[6]H)(OH)(H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[5,6]HO)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]N[6,6]C[6]H)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]N[6,6]C[6]2)	107.9660	0.000	1	107.9660	0.000	1	107.9660	0.000	1	107.5444	1.401	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6,6]-4:	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(C[6]C[6]CH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(CN)(H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(CN)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	106.2150	0.000	2	106.2150	0.000	2	106.2150	0.000	2	107.5444	1.401	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6]N[6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HO)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]N[6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.1255	0.995	2	108.1255	0.990	2	108.1255	0.990	2	107.5444	1.401	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HN)(H)	C[6](C[6,6]C[6,6]2H)(C[6]O[6]CC)(NHH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HN)(H){1|H<1>,1|O<1>,3|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]O[6]CC)(NHH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6,6]C[6,6]2C[6])	107.5310	0.000	1	107.5310	0.000	1	107.5310	0.000	1	108.2277	1.600	15	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]CH)(H){1|C<4>,2|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCO)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4020	0.000	1	108.4020	0.000	1	108.4020	0.000	1	108.2277	1.600	15	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]2)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]2)(H){1|C<3>,3|O<2>,4|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.1040	0.000	1	106.1040	0.000	1	106.1040	0.000	1	108.2277	1.600	15	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]C[5])(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]C[5])(C[6]N[6]HH)(H){2|H<1>,3|C<4>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.3705	0.002	2	108.3705	0.000	2	108.3835	1.976	8	108.2277	1.600	15	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H){2|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|O<1>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.0980	0.028	2	109.0095	0.017	4	108.3835	1.976	8	108.2277	1.600	15	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H){2|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.9210	0.136	2	109.0095	0.017	4	108.3835	1.976	8	108.2277	1.600	15	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<4>,4|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.0060	0.000	1	105.0060	0.000	1	108.3835	1.976	8	108.2277	1.600	15	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|O<1>,2|N<3>,3|H<1>,6|C<3>}	H(C[6,6]C[6,6]C[6]2)	109.2830	0.000	1	109.2830	0.000	1	108.3835	1.976	8	108.2277	1.600	15	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]3)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,3|N<3>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5560	0.000	1	108.5560	0.000	1	108.5560	0.000	1	108.2277	1.600	15	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(CCH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(CCH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2680	0.000	1	107.2680	0.000	1	107.2680	0.000	1	108.2277	1.600	15	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6]C[6a]H)(N[6,6]O[6]2)(C[6]C[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6,6]C[6a]H)(N[6,6]O[6]2)(C[6]C[6]CC)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(H){2|O<2>,3|C<4>,4|C<3>,5|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.8840	0.000	1	108.8840	0.000	1	108.8840	0.000	1	108.2277	1.600	15	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]C[6]HN)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]C[6]HN)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)(NOO)(H){3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	109.6030	0.000	1	109.6030	0.000	1	109.6030	0.000	1	108.2277	1.600	15	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:3:3:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:C-3:	C[6,6]-4:	C[6,6](C[6]C[6,6]C[6a]H)(N[6,6]O[6]2)(C[6]C[6]CC)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(COO)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6,6]C[6a]H)(N[6,6]O[6]2)(C[6]C[6]CC)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(COO)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6,6]N[6,6]C[6]2)	108.8460	0.000	1	108.8460	0.000	1	107.3373	2.361	6	107.3373	2.361	6	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:3:3:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:C-3:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(N[6,6]O[6]2)(C[6]C[6]CC)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(COO)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(N[6,6]O[6]2)(C[6]C[6]CC)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(COO)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6,6]N[6,6]C[6]2)	107.0356	1.506	5	107.0356	2.269	5	107.3373	2.361	6	107.3373	2.361	6	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[5,3x6]O)(C[6]C[6]2H)(H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)2(H)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[5,3x6]O)(C[6]C[6]2H)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	105.3290	0.000	1	105.3290	0.000	1	105.3290	0.000	1	107.7627	1.464	24	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6a]C[3x6]H)(C[6]C[6]CH)(CH3)(H)	H(C[6,6]C[6,6a]C[3x6]C[6])	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,2|H<1>,2|O<2>,5|C<3>}	C[6](C[6,6]C[6,6a]C[3x6]H)(C[6]C[6]CH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6a]C[3x6]C[6])	106.9060	0.000	1	106.9060	0.000	1	106.9060	0.000	1	107.7627	1.464	24	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6]2C[6,6])(C[6,6]C[5a,6]C[6,6])(C[6]C[6]CH)(H)	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6,6]C[5,3x6]C[6,6]C[6])	C[6,6](C[5,3x6]C[5,6]2C[6,6])(C[6,6]C[5a,6]C[6,6])(C[6]C[6]CH)(H){1|O<2>,2|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[5,3x6]C[6,6]C[6])	105.1720	0.000	1	105.1720	0.000	1	105.1720	0.000	1	107.7627	1.464	24	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(CH3)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|C<2>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(CH3)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.9990	0.000	1	107.3320	0.222	2	107.3045	0.077	4	107.7627	1.464	24	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(CH3)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(CH3)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.6650	0.000	1	107.3320	0.222	2	107.3045	0.077	4	107.7627	1.464	24	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6]H)(CCCH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|C<4>,2|C<3>,2|O<2>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6]H)(CCCH)(H){1|H<1>,2|C<4>,5|C<3>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.2770	0.083	2	107.2770	0.007	2	107.3045	0.077	4	107.7627	1.464	24	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]O[6])(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(CH3)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]O[6])(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]2C[6])	108.5140	0.000	1	108.5140	0.000	1	106.9210	5.075	2	107.7627	1.464	24	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CH3)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	105.3280	0.000	1	105.3280	0.000	1	106.9210	5.075	2	107.7627	1.464	24	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]CH)(H){1|C<4>,2|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHO)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0595	0.197	2	108.0595	0.039	2	108.6429	0.196	12	107.7627	1.464	24	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2790	0.000	1	108.3590	0.013	2	108.6429	0.196	12	107.7627	1.464	24	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<4>,2|N<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHH)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.4390	0.000	1	108.3590	0.013	2	108.6429	0.196	12	107.7627	1.464	24	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.7077	0.155	3	108.8598	0.126	8	108.6429	0.196	12	107.7627	1.464	24	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H){1|N<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.1020	0.299	4	108.8598	0.126	8	108.6429	0.196	12	107.7627	1.464	24	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H){1|N<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.3470	0.000	1	108.8598	0.126	8	108.6429	0.196	12	107.7627	1.464	24	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]C)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]C)(C[6]C[6]CH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	106.6270	0.000	1	106.6270	0.000	1	106.6270	0.000	1	107.7627	1.464	24	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6]CH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]N[6,6]C[6]H)(CH3)(H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[5,6]CH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]N[6,6]C[6]H)(CH3)(H){1|C<3>,4|C<4>,5|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.7480	0.000	2	107.7480	0.000	2	107.7480	0.000	2	107.7627	1.464	24	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]CO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCl2H)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]CO)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCl2H)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|O<1>}	H(C[6,6]C[6,6]C[6]2)	108.2470	0.000	1	108.2470	0.000	1	108.2470	0.000	1	107.9898	0.631	5	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:4:2:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[6]C[5,6]CO)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]N[6,6]C[6]H)(CHHO)(OH)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[5,6]CO)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]N[6,6]C[6]H)(CHHO)(OH){1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]N[6,6]C[6]2)	106.8130	0.000	1	106.8130	0.000	1	106.8130	0.000	1	107.9898	0.631	5	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:4:2:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[6]C[6,6]CO)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(CH3)(OH)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6,6]CO)(N[6,6]C[6]2)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(CH3)(OH){5|C<4>,5|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.2963	0.630	3	108.2963	0.396	3	108.2963	0.396	3	107.9898	0.631	5	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]O)(C[6]C[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]O)(C[6]C[6]CC)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.0417	0.118	3	104.0417	0.014	3	104.0417	0.014	3	104.0417	0.014	3	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(O[6]C[6])(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	108.1623	0.313	3	108.1623	0.098	3	108.2625	0.242	10	107.2258	12.279	13	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HS)(C[6]C[6,6a]HH)(O[6]C[6,6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]HS)(C[6]C[6,6a]HH)(O[6]C[6,6a])(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	108.1792	0.409	4	108.1792	0.167	4	108.2625	0.242	10	107.2258	12.279	13	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HS)(C[6]C[6,6a]HH)(O[6]C[6,6a])(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]O[6]H)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]HS)(C[6]C[6,6a]HH)(O[6]C[6,6a])(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]O[6]H)(H)2{1|C<4>,1|H<1>,1|S<4>,4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	107.8020	0.000	1	107.8020	0.000	1	108.2625	0.242	10	107.2258	12.279	13	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(O[6]C[6,6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(O[6]C[6,6a])(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	109.3620	0.000	1	109.3620	0.000	1	108.2625	0.242	10	107.2258	12.279	13	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(O[6]C[6,6a])(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]O[6]H)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(O[6]C[6,6a])(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]O[6]H)(H)2{1|C<4>,1|H<1>,2|O<2>,3|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	108.2570	0.000	1	108.2570	0.000	1	108.2625	0.242	10	107.2258	12.279	13	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6,6]-4:S[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(S[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(H)2	H(C[6,6]C[6,6]C[6]S[6])	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(S[6]C[6])(H){3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]S[6])	95.6626	0.000	1	95.6626	0.000	1	95.6626	0.000	1	107.2258	12.279	13	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O[6,6]-2:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)2(O[6,6]C[6,6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)2	H(C[6,6]O[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)2(O[6,6]C[6,6])(H){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]O[6,6]C[6]2)	107.8240	0.042	2	107.8240	0.002	2	107.8240	0.002	2	107.2258	12.279	13	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6,6a]HO)(O[6]C[6,6a])(H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6,6]C[6,6]O[6]H)(OH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6,6a]HO)(O[6]C[6,6a])(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6,6]C[6,6]O[6]H)(OH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	108.4490	0.000	1	108.4490	0.000	1	108.4490	0.000	1	108.4490	0.000	1	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.1310	0.000	1	107.9555	0.062	2	107.9555	0.062	2	108.1180	0.110	3	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(O[6]C[6])(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	107.7800	0.000	1	107.9555	0.062	2	107.9555	0.062	2	108.1180	0.110	3	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	3:4:4:1:	4:	C[6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2H)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)(H){1|H<1>,2|C<3>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.4430	0.000	1	108.4430	0.000	1	108.4430	0.000	1	108.1180	0.110	3	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	3:4:4:4:	4:	C[6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6]C[6,6a]CC)(C[6,6]C[6]2H)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6]C[6,6a]CC)(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.2570	0.109	2	108.2570	0.012	2	108.2570	0.012	2	108.2570	0.012	2	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|H<1>,1|N<4>,1|O<1>,3|C<3>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6])(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	106.7210	0.000	1	106.7210	0.000	1	106.7210	0.000	1	109.6630	0.836	111	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[3,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,1|S<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.5250	0.000	1	109.5250	0.000	1	109.6897	0.764	110	109.6630	0.836	111	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|H<1>,2|C<4>,3|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.7525	0.273	4	110.7525	0.075	4	109.6897	0.764	110	109.6630	0.836	111	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[3,6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]S[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[3,6])(H){1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]S[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.3170	0.000	1	109.3170	0.000	1	109.6897	0.764	110	109.6630	0.836	111	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[5,6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]Si[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[5,6])(H){1|Si<4>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]Si[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	110.7370	0.000	1	110.7370	0.000	1	109.6897	0.764	110	109.6630	0.836	111	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.4800	0.000	2	109.3982	0.342	12	109.6897	0.764	110	109.6630	0.836	111	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.6030	0.000	1	109.3982	0.342	12	109.6897	0.764	110	109.6630	0.836	111	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.0230	0.000	1	109.3982	0.342	12	109.6897	0.764	110	109.6630	0.836	111	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.1125	0.064	2	109.3982	0.342	12	109.6897	0.764	110	109.6630	0.836	111	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.9440	0.000	1	109.3982	0.342	12	109.6897	0.764	110	109.6630	0.836	111	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.5950	0.356	2	109.3982	0.342	12	109.6897	0.764	110	109.6630	0.836	111	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.9665	0.196	2	109.3982	0.342	12	109.6897	0.764	110	109.6630	0.836	111	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.9000	0.000	1	109.3982	0.342	12	109.6897	0.764	110	109.6630	0.836	111	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]Si[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|Si<4>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]Si[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	111.4240	0.000	1	111.4240	0.000	1	109.6897	0.764	110	109.6630	0.836	111	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5a,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.1550	0.000	1	110.1550	0.000	1	109.6897	0.764	110	109.6630	0.836	111	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.1480	0.000	1	109.1480	0.000	1	109.6897	0.764	110	109.6630	0.836	111	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]HH)(O[6]C[6,6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6,6a])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]HH)(O[6]C[6,6])(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	109.6325	0.383	2	109.6325	0.146	2	109.6897	0.764	110	109.6630	0.836	111	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]O[6]HH)(O[6]N[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]N[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2O)(C[6]O[6]HH)(O[6]N[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]N[6])(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.9170	0.000	1	109.9170	0.000	1	109.6897	0.764	110	109.6630	0.836	111	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[5,6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[5,6])(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.7470	0.000	1	110.0410	0.250	4	109.6897	0.764	110	109.6630	0.836	111	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[5,6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[5,6])(H){3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.8057	0.205	3	110.0410	0.250	4	109.6897	0.764	110	109.6630	0.836	111	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6,6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6,6])(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.3252	0.265	4	109.3252	0.070	4	109.6897	0.764	110	109.6630	0.836	111	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6,6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]P[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6,6])(H){1|C<4>,1|N<3>,1|O<2>,1|P<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]P[6])(H)2{1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	108.5460	0.000	1	108.5460	0.000	1	109.6897	0.764	110	109.6630	0.836	111	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.7145	0.411	2	109.6734	0.879	75	109.6897	0.764	110	109.6630	0.836	111	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.1190	0.000	1	109.6734	0.879	75	109.6897	0.764	110	109.6630	0.836	111	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.7990	0.000	1	109.6734	0.879	75	109.6897	0.764	110	109.6630	0.836	111	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	110.1520	0.000	1	109.6734	0.879	75	109.6897	0.764	110	109.6630	0.836	111	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.4660	0.000	1	109.6734	0.879	75	109.6897	0.764	110	109.6630	0.836	111	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|F<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.8685	0.641	2	109.6734	0.879	75	109.6897	0.764	110	109.6630	0.836	111	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.8750	0.000	1	109.6734	0.879	75	109.6897	0.764	110	109.6630	0.836	111	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.3250	0.606	3	109.6734	0.879	75	109.6897	0.764	110	109.6630	0.836	111	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	111.5900	0.000	1	109.6734	0.879	75	109.6897	0.764	110	109.6630	0.836	111	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|N<2>,1|S<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<2>,1|H<1>,1|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.3980	0.000	1	109.6734	0.879	75	109.6897	0.764	110	109.6630	0.836	111	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.8440	0.000	1	109.6734	0.879	75	109.6897	0.764	110	109.6630	0.836	111	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.8104	1.229	12	109.6734	0.879	75	109.6897	0.764	110	109.6630	0.836	111	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|N<4>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.1344	0.323	7	109.6734	0.879	75	109.6897	0.764	110	109.6630	0.836	111	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.7210	0.011	2	109.6734	0.879	75	109.6897	0.764	110	109.6630	0.836	111	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,1|S<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.6333	0.949	4	109.6734	0.879	75	109.6897	0.764	110	109.6630	0.836	111	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.2710	0.363	2	109.6734	0.879	75	109.6897	0.764	110	109.6630	0.836	111	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.7660	0.000	1	109.6734	0.879	75	109.6897	0.764	110	109.6630	0.836	111	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.9130	2.456	2	109.6734	0.879	75	109.6897	0.764	110	109.6630	0.836	111	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<2>,1|H<1>,1|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.7280	0.143	2	109.6734	0.879	75	109.6897	0.764	110	109.6630	0.836	111	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.0452	0.956	18	109.6734	0.879	75	109.6897	0.764	110	109.6630	0.836	111	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.9150	0.369	2	109.6734	0.879	75	109.6897	0.764	110	109.6630	0.836	111	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.6560	0.275	8	109.6734	0.879	75	109.6897	0.764	110	109.6630	0.836	111	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]Si[6])(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]Si[6])(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.0750	0.000	1	109.0750	0.000	1	109.6897	0.764	110	109.6630	0.836	111	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]O[5,6]C[6])(C[6]O[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[5,3x6]O[6]H)(O[6]C[5,6])(OC)(H)	H(C[6,6]C[5,3x6]C[6]O[6])	C[6,6](C[5,3x6]C[5,6,6]O[5,6]C[6])(C[6]O[6]HO)(O[6]C[6])(H){4|H<1>,5|C<4>}	C[6](C[6,6]C[5,3x6]O[6]H)(O[6]C[5,6])(OC)(H){1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[5,3x6]C[6]O[6])	106.1560	0.000	1	106.1560	0.000	1	106.1560	0.000	1	109.1102	3.010	5	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[3,6])(OC)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HO)(O[6]C[6])(H){1|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[3,6])(OC)(H){1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	110.7110	0.000	1	110.7110	0.000	1	109.9733	0.472	3	109.1102	3.010	5	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]S[6]H)(C[6]O[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(OC)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]S[6]H)(C[6]O[6]HO)(O[6]C[6])(H){1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(OC)(H){1|S<4>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.6045	0.359	2	109.6045	0.129	2	109.9733	0.472	3	109.1102	3.010	5	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:S-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HS)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(SC[6a])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HS)(O[6]C[6])(H){1|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(SC[6a])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.4750	0.000	1	109.4750	0.000	1	109.4750	0.000	1	109.1102	3.010	5	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:3:1:	4:	C[6,6]-4:C[6]-4:N[6]-2:H-1:	C[6,6]-4:O[6]-2:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]O[6]CH)(N[6]C[6])(H)	C[6](C[6,6]C[6,6]N[6]H)(O[6]C[6])(CN[5]O)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]O[6]CH)(N[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]N[6]H)(O[6]C[6])(CN[5]O)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	106.7430	0.000	1	106.7430	0.000	1	106.7430	0.000	1	106.7430	0.000	1	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]B[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]B[6])(CHHO)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]B[6])(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]B[6])(CHHO)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.0125	0.158	2	109.0125	0.025	2	109.4849	0.142	8	109.4849	0.142	8	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(CH3)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H){1|H<1>,1|N<2>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(CH3)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.3730	0.106	2	109.5832	0.067	5	109.4849	0.142	8	109.4849	0.142	8	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(CH3)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H){1|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(CH3)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.7233	0.234	3	109.5832	0.067	5	109.4849	0.142	8	109.4849	0.142	8	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(CHHO)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H){1|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(CHHO)(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.9380	0.000	1	109.9380	0.000	1	109.4849	0.142	8	109.4849	0.142	8	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6a]N[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6a]N[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6,6]C[3x6]C[6]O[6])	109.5290	0.000	1	109.5290	0.000	1	109.5290	0.000	1	108.9400	0.541	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[5,6,6]C[6]O[6])	C[6,6](C[5,6,6]C[5,6,6]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]O)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[5,6,6]C[6]O[6])	107.7620	0.000	1	107.7620	0.000	1	107.7620	0.000	1	108.9400	0.541	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-2:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6])(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]H)(H)2{1|C<3>,4|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	107.5980	0.000	1	107.5980	0.000	1	107.5980	0.000	1	108.9400	0.541	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:Cl-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(O[6]C[6,6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]O)(Cl)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(O[6]C[6,6])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]O)(Cl)(H){1|C<3>,1|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.6165	0.250	2	109.6165	0.062	2	109.6165	0.062	2	108.9400	0.541	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2{2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	107.8060	0.000	1	107.8060	0.000	1	108.9335	0.443	19	108.9400	0.541	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]O)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]O)(H)2{2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.5671	0.712	7	108.5671	0.507	7	108.9335	0.443	19	108.9400	0.541	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	108.4940	0.000	1	108.4940	0.000	1	108.9335	0.443	19	108.9400	0.541	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]O)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.4440	0.000	1	109.4440	0.000	1	108.9335	0.443	19	108.9400	0.541	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.6880	0.000	1	109.6880	0.000	1	108.9335	0.443	19	108.9400	0.541	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.0927	0.212	4	109.0927	0.045	4	108.9335	0.443	19	108.9400	0.541	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.6330	0.000	1	109.6330	0.000	1	108.9335	0.443	19	108.9400	0.541	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.5305	0.378	2	109.5305	0.143	2	108.9335	0.443	19	108.9400	0.541	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6a]C[6]O[6])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6a]C[6]O[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	109.2700	0.000	1	109.2700	0.000	1	108.9335	0.443	19	108.9400	0.541	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]N[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(N[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]N[6]HH)(O[6]C[6])(H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(N[6]C[6]C)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.6420	0.000	1	109.6420	0.000	1	109.6420	0.000	1	108.9400	0.541	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]O[5,6]C[5]O[6])(C[6]C[6a]O[6]H)(O[6]C[6])(H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6a]C[6a]2)(O[6]C[5,6])(H)	H(C[6,6]C[5,6,6]C[6]O[6])	C[6,6](C[5,6,6]O[5,6]C[5]O[6])(C[6]C[6a]O[6]H)(O[6]C[6])(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]O[6]H)(C[6a]C[6a]2)(O[6]C[5,6])(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[6,6]C[5,6,6]C[6]O[6])	107.6580	0.000	1	107.6580	0.000	1	107.6580	0.000	1	107.8962	0.833	6	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[5,6]O)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]H)(OH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]C[5,6]O)(C[6]C[6]HO)(O[6]C[6])(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]H)(OH)(H){1|O<2>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.0360	0.229	2	109.0360	0.052	2	107.9438	1.024	5	107.8962	0.833	6	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(O[6]N[6,6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(OH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(O[6]N[6,6])(H){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(OH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	107.1280	0.000	1	107.1280	0.000	1	107.9438	1.024	5	107.8962	0.833	6	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(O[6]N[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(OH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(O[6]N[6])(H){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(OH)(H){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	107.0930	0.000	1	107.0930	0.000	1	107.9438	1.024	5	107.8962	0.833	6	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(OC)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	107.4260	0.000	1	107.4260	0.000	1	107.9438	1.024	5	107.8962	0.833	6	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[5a]-3:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]O[6])(C[6]C[5a]C[6]H)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(C[6]C[6]N)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]N[6]O[6])(C[6]C[5a]C[6]H)(O[6]C[6])(H){1|N<3>,2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(C[6]C[6]N)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.5500	0.000	1	109.5500	0.000	1	109.5500	0.000	1	109.5500	0.000	1	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]CH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]O)(CH3)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]CH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]O)(CH3)(H){1|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	107.6440	0.000	1	107.6440	0.000	1	107.6440	0.000	1	107.2695	0.281	2	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:S[6]-2:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(S[6]C[6])(H)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]O)(CH3)(H)	H(C[6,6]C[6,6]C[6]S[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(S[6]C[6])(H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]O)(CH3)(H){2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]S[6])	106.8950	0.000	1	106.8950	0.000	1	106.8950	0.000	1	107.2695	0.281	2	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6]C[5,6]HH)(O[6]Si[6])(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3x6]O[6]H)(H)2	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6]C[5,6]HH)(O[6]Si[6])(H){2|H<1>,2|O<2>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3x6]O[6]H)(H)2{1|Si<4>,1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6,6]C[3x6]C[6]O[6])	106.0180	0.000	1	106.0180	0.000	1	106.8685	1.447	2	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(O[6]C[5,6])(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[3x6]O[6]H)(H)2	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(O[6]C[5,6])(H){1|O<2>,2|C<3>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[3x6]O[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6]O[6])	107.7190	0.000	1	107.7190	0.000	1	106.8685	1.447	2	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2{4|C<3>,5|C<4>}	H(C[6,6]C[3x6]C[6]O[6])	108.1740	0.000	1	108.1740	0.000	1	108.1740	0.000	1	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2{6|C<4>}	H(C[6,6]C[3x6]C[6]O[6])	110.9260	0.000	1	110.9260	0.000	1	108.4759	1.165	9	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6]O[6])	107.5090	0.071	2	108.0572	0.442	4	108.4759	1.165	9	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6]O[6])	108.6055	0.343	2	108.0572	0.442	4	108.4759	1.165	9	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CC)(H)2	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,6|C<4>}	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CC)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6,6]C[3x6]C[6]O[6])	107.5300	0.000	1	107.5300	0.000	1	108.4759	1.165	9	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2O)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6]2O)(C[6]C[6]HH)(O[6]C[6])(H){2|C<4>,4|H<1>,4|O<2>}	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)(H)2{2|O<2>,4|C<4>}	H(C[6,6]C[3x6]C[6]O[6])	109.0420	0.000	1	109.0420	0.000	1	108.4759	1.165	9	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<2>,1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6]O[6])	108.2780	0.000	2	108.2780	0.000	2	108.4759	1.165	9	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:I-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6]C[6]HI)(O[6]C[6])(H)	C[6](C[6,6]C[4,6,6]O[6]H)(C[6]C[6]HH)(H)(I)	H(C[6,6]C[4,6,6]C[6]O[6])	C[6,6](C[4,6,6]C[4,6]2H)(C[6]C[6]HI)(O[6]C[6])(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[4,6,6]O[6]H)(C[6]C[6]HH)(H)(I){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[4,6,6]C[6]O[6])	109.1890	0.061	2	109.1890	0.004	2	109.1890	0.004	2	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]C[5,6])(H)	C[6](C[6,6]C[5,3x6]O[6]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[6,6]C[5,3x6]C[6]O[6])	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]C[5,6])(H){1|C<3>,3|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[5,3x6]O[6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,2|O<2>,6|C<4>}	H(C[6,6]C[5,3x6]C[6]O[6])	107.8260	0.000	1	107.5755	0.126	2	107.0542	0.704	5	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]C[5,6])(H)	C[6](C[6,6]C[5,3x6]O[6]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[6,6]C[5,3x6]C[6]O[6])	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]C[5,6])(H){3|O<2>,4|H<1>,6|C<4>}	C[6](C[6,6]C[5,3x6]O[6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,2|O<2>,6|C<4>}	H(C[6,6]C[5,3x6]C[6]O[6])	107.3250	0.000	1	107.5755	0.126	2	107.0542	0.704	5	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[5,3x6]O[6]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[6,6]C[5,3x6]C[6]O[6])	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]C[6])(H){3|O<2>,4|H<1>,6|C<4>}	C[6](C[6,6]C[5,3x6]O[6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,2|O<2>,6|C<4>}	H(C[6,6]C[5,3x6]C[6]O[6])	107.7970	0.000	1	107.7970	0.000	1	107.0542	0.704	5	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]Si[6])(H)	C[6](C[6,6]C[5,3x6]O[6]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[6,6]C[5,3x6]C[6]O[6])	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]Si[6])(H){1|O<1>,2|H<1>,3|O<2>,6|C<4>}	C[6](C[6,6]C[5,3x6]O[6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|Si<4>,1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6,6]C[5,3x6]C[6]O[6])	106.1615	0.046	2	106.1615	0.002	2	107.0542	0.704	5	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[5,3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[5,3x6]C[6]O[6])	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,6|C<4>}	H(C[6,6]C[5,3x6]C[6]O[6])	107.7040	0.000	1	110.9140	36.650	4	110.9140	36.650	4	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[5,3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[5,3x6]C[6]O[6])	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2{3|C<3>,5|C<4>}	H(C[6,6]C[5,3x6]C[6]O[6])	119.9900	0.000	1	110.9140	36.650	4	110.9140	36.650	4	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[5,3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[5,3x6]C[6]O[6])	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,6|C<4>}	H(C[6,6]C[5,3x6]C[6]O[6])	107.7960	0.000	1	110.9140	36.650	4	110.9140	36.650	4	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[5,3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[5,3x6]C[6]O[6])	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,6|C<4>}	H(C[6,6]C[5,3x6]C[6]O[6])	108.1660	0.000	1	110.9140	36.650	4	110.9140	36.650	4	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[5,6,6]C[6]O[6])	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,2|H<1>,6|C<4>}	H(C[6,6]C[5,6,6]C[6]O[6])	112.0070	0.000	1	112.0070	0.000	1	112.0070	0.000	1	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]C[5,6]C)(C[6]C[6]HH)(O[6]C[5,6])(H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[5,6,6]C[6]O[6])	C[6,6](C[5,6,6]C[5,5,6]C[5,6]C)(C[6]C[6]HH)(O[6]C[5,6])(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]CH)(H)2{2|H<1>,4|C<4>}	H(C[6,6]C[5,6,6]C[6]O[6])	110.3160	0.000	1	110.3160	0.000	1	108.9249	1.088	14	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]O[6])	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,5|C<4>}	H(C[6,6]C[5,6,6]C[6]O[6])	108.8540	0.000	1	108.8540	0.000	1	108.9249	1.088	14	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]O[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,5|C<4>}	H(C[6,6]C[5,6,6]C[6]O[6])	107.6265	0.609	2	107.6265	0.371	2	108.9249	1.088	14	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]O[6])	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,5|C<4>}	H(C[6,6]C[5,6,6]C[6]O[6])	109.4740	1.015	6	109.0525	0.922	10	108.9249	1.088	14	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]O[6])	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,5|C<4>}	H(C[6,6]C[5,6,6]C[6]O[6])	108.7445	0.250	2	109.0525	0.922	10	108.9249	1.088	14	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]O[6])	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,2|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,5|C<4>}	H(C[6,6]C[5,6,6]C[6]O[6])	108.0960	0.047	2	109.0525	0.922	10	108.9249	1.088	14	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6])(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6])(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.2667	0.436	6	108.2667	0.190	6	108.2667	0.190	6	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(O[6]C[6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.2470	0.103	3	109.2470	0.011	3	109.0772	0.122	4	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(O[6]C[6])(H)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]O[6]H)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(O[6]C[6])(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]O[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.5680	0.000	1	108.5680	0.000	1	109.0772	0.122	4	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H){1|N<2>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(H)2{1|S<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.1460	0.000	1	107.8205	0.212	2	108.2785	0.925	8	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(H)2{2|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	107.4950	0.000	1	107.8205	0.212	2	108.2785	0.925	8	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(O[6]C[6,6])(H)	C[6](C[6,6]C[6,6]O[6]H)2(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(O[6]C[6,6])(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)2(H)2{1|O<2>,6|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	107.0490	0.000	1	107.0490	0.000	1	108.2785	0.925	8	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)2(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(O[6]C[6])(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)2(H)2{1|O<2>,6|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	107.0590	0.000	1	107.0590	0.000	1	108.2785	0.925	8	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6,6])(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6,6])(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.1890	0.000	1	109.1890	0.000	1	108.2785	0.925	8	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6,6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]2C)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6,6])(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]2C)(H)2{1|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.1330	0.000	1	109.1330	0.000	1	108.2785	0.925	8	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)2(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6])(H){1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]H)2(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.1250	0.000	1	109.0785	0.004	2	108.2785	0.925	8	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)2(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6])(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)2(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.0320	0.000	1	109.0785	0.004	2	108.2785	0.925	8	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:Br-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]BrH)(O[6]C[5,6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]BrC)(Br)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]BrH)(O[6]C[5,6])(H){1|Br<1>,3|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]BrC)(Br)(H){2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.1170	0.000	1	108.1170	0.000	1	108.1170	0.000	1	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:F-1:F-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]FF)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(F)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]FF)(O[6]C[6])(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(F)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.0720	0.000	2	109.0720	0.000	2	109.0720	0.000	2	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:F-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]FH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]FH)(F)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]FH)(O[6]C[6])(H){1|F<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]FH)(F)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.7910	0.150	2	109.7910	0.022	2	109.7910	0.022	2	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6,6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6,6])(H){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.4672	0.471	5	108.4672	0.222	5	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{6|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	107.7130	1.513	2	107.1223	1.541	25	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	107.7900	0.000	1	107.1223	1.541	25	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{6|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	105.8140	0.477	2	107.1223	1.541	25	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	107.5800	0.000	1	107.1223	1.541	25	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{6|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	106.8576	1.539	12	107.1223	1.541	25	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.1185	0.489	2	107.1223	1.541	25	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{6|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	107.4212	0.165	5	107.1223	1.541	25	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6,6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6,6])(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.8540	0.000	1	108.8540	0.000	1	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,2|C<4>,2|S<2>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.3320	0.000	1	109.3320	0.000	1	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.9090	0.000	1	108.9090	0.000	1	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]O[6]H)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]O[6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	108.3870	0.000	1	108.3870	0.000	1	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	110.2690	0.000	1	110.2690	0.000	1	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.6320	0.000	1	108.6320	0.000	1	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.0730	0.000	1	109.0730	0.000	1	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.9810	0.000	1	108.7630	2.967	2	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	107.5450	0.000	1	108.7630	2.967	2	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,8|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HH)(H)2{4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.2590	0.000	1	109.2590	0.000	1	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,2|C<2>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.5790	0.000	1	108.8341	4.142	7	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.9380	0.000	1	108.8341	4.142	7	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	106.5780	3.028	2	108.8341	4.142	7	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	110.3340	0.000	2	108.8341	4.142	7	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|P<4>,1|S<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.4980	0.000	1	108.8341	4.142	7	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.9140	0.000	1	108.3708	1.836	5	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	106.2830	0.000	1	108.3708	1.836	5	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.9880	0.000	1	108.3708	1.836	5	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.3345	0.467	2	108.3708	1.836	5	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.4245	0.060	2	109.4245	0.004	2	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]N[6,6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]N[6,6])(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	106.6980	0.000	1	106.6980	0.000	1	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.4950	0.000	1	108.4950	0.000	1	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(O[6]N[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(O[6]N[6])(H){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	110.0820	0.000	1	110.0820	0.000	1	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]FH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|F<1>,1|O<2>,1|S<4>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]FH)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.8130	0.000	1	108.8130	0.000	1	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|S<4>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.2740	0.000	1	108.2740	0.000	1	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]O[6])(C[6]C[6]HH)(O[6]C[6,6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]N[6]O[6])(C[6]C[6]HH)(O[6]C[6,6])(H){1|N<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.0400	0.000	1	109.0400	0.000	1	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[5,6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[5,6])(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	107.4110	0.000	1	107.4110	0.000	1	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6,6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6,6])(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.0350	0.000	1	108.0350	0.000	1	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6])(H){2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,5|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.8240	0.000	2	109.8240	0.000	2	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2{1|O<2>,5|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	107.9955	0.269	2	107.9955	0.073	2	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[5,6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[5,6])(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.3270	0.407	2	109.3270	0.166	2	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[5,6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[5,6])(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.0260	0.000	1	109.0260	0.000	1	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(H){3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.1520	0.000	1	109.1520	0.000	1	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.1980	0.000	1	109.1980	0.000	1	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.0920	0.000	1	109.0920	0.000	1	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CO)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CO)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.7265	0.237	2	109.6453	0.028	4	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CO)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,2|F<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CO)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.5640	0.000	2	109.6453	0.028	4	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.8552	1.170	4	110.0503	2.296	18	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,1|S<4>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	111.0960	1.076	4	110.0503	2.296	18	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.2005	0.909	2	110.0503	2.296	18	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|S<4>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	111.4300	1.394	4	110.0503	2.296	18	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.5860	0.021	2	110.0503	2.296	18	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.9035	0.363	2	110.0503	2.296	18	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.6550	0.000	1	109.0640	0.335	2	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.4730	0.000	1	109.0640	0.335	2	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HS)(H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|S<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HS)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.2620	0.241	6	109.2620	0.058	6	108.6664	2.302	102	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)(O)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.5080	0.000	1	109.5080	0.000	1	109.5080	0.000	1	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:S[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(S[6]C[6])(H)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]S[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(S[6]C[6])(H){2|C<4>,2|O<2>,6|H<1>}	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]S[6])	108.3600	0.000	1	108.3600	0.000	1	108.9528	0.977	4	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:S[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(S[6]C[6])(H)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]S[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(S[6]C[6])(H){1|O<2>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]S[6])	108.2080	0.000	1	108.2080	0.000	1	108.9528	0.977	4	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:S[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)(S[6]C[6])(H)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]S[6])	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)(S[6]C[6])(H){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]S[6])	109.6215	1.063	2	109.6215	1.130	2	108.9528	0.977	4	108.6888	2.640	168	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6,6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(OH)(H)	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6,6]HO)(O[6]C[6])(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(OH)(H){1|C<3>,1|H<1>,7|C<4>}	H(C[6,6]C[3x6]C[6]O[6])	108.8740	0.000	1	108.8740	0.000	1	108.8740	0.000	1	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2O)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]HO)(OC)(H)	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6]2O)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]HO)(OC)(H){1|O<2>,3|C<4>}	H(C[6,6]C[3x6]C[6]O[6])	110.0570	0.000	1	110.0570	0.000	1	110.0570	0.000	1	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:N[6]-2:H-1:	C[6,6]-4:C[5]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[5]O[6]H)(N[6]C[6])(H)	C[6](C[6,6]C[6,6]N[6]H)(C[5]N[5]S[5]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[5]O[6]H)(N[6]C[6])(H){1|C<4>,1|N<3>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[5]N[5]S[5]H)(O[6]C[6])(H){1|H<1>,1|N<2>,2|C<3>,4|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	108.3150	0.000	1	108.3150	0.000	1	108.3150	0.000	1	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HO)(O[6]C[6])(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6,6]O[6]H)(OC)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6,6]O[6]H)(OC)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.7180	0.000	1	109.7180	0.000	1	109.2747	0.207	3	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HO)(O[6]C[6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(OC[5])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HO)(O[6]C[6])(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(OC[5])(H){1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.8090	0.000	1	108.8090	0.000	1	109.2747	0.207	3	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HO)(O[6]C[6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(OH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HO)(O[6]C[6])(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.2970	0.000	1	109.2970	0.000	1	109.2747	0.207	3	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[3,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[3,6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[3,6]C[3]2O[6])(OC)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[3,6]HO)(O[6]C[6])(H){1|H<1>,3|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[3,6]C[3]2O[6])(OC)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.5010	0.000	1	108.5010	0.000	1	108.5010	0.000	1	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:N-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HN)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)2(NN)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HN)(O[6]C[6])(H){1|N<2>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]O[6]H)2(NN)(H){2|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.9261	0.536	8	108.9748	0.273	9	108.9748	0.273	9	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:N-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HN)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)2(NN)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HN)(O[6]C[6])(H){2|H<1>,3|C<4>,3|O<2>}	C[6](C[6,6]C[6,6]O[6]H)2(NN)(H){2|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.3640	0.000	1	108.9748	0.273	9	108.9748	0.273	9	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)2(OC)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]H)2(OC)(H){1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.4815	0.342	4	108.9921	0.466	7	109.0387	0.210	20	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)2(OC)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)2(OC)(H){1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.6730	0.079	3	108.9921	0.466	7	109.0387	0.210	20	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)2(OH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H){1|N<2>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]O[6]H)2(OH)(H){2|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.9600	0.107	2	108.9943	0.042	10	109.0387	0.210	20	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)2(OH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H){2|H<1>,3|C<4>,3|O<2>}	C[6](C[6,6]C[6,6]O[6]H)2(OH)(H){2|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.0029	0.227	8	108.9943	0.042	10	109.0387	0.210	20	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)2(OS)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H){2|H<1>,3|C<4>,3|O<2>}	C[6](C[6,6]C[6,6]O[6]H)2(OS)(H){2|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.5160	0.546	2	109.5160	0.298	2	109.0387	0.210	20	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]P[6])(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]O[6]H)(OH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]P[6])(H){1|C<4>,1|N<3>,1|O<1>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]O[6]H)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|P<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.8530	0.000	1	108.8530	0.000	1	109.0387	0.210	20	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:N-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NN)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NN)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.0215	0.933	2	109.0215	0.870	2	109.3570	0.283	6	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:N-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(NN)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H){1|C<2>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(NN)(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.5590	0.000	1	109.6150	0.006	2	109.3570	0.283	6	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:N-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(NN)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(NN)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.6710	0.000	1	109.6150	0.006	2	109.3570	0.283	6	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:N-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(NN)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H){2|H<1>,3|C<4>,3|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.4345	0.408	2	109.4345	0.166	2	109.3570	0.283	6	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HO)(O[6]O[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HO)(O[6]O[6])(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	107.3465	0.029	2	107.3465	0.001	2	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HO)(O[6]O[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HO)(O[6]O[6])(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	107.2557	0.030	3	107.2557	0.001	3	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|N<2>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.6610	0.000	1	109.2087	0.145	4	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.3913	0.133	3	109.2087	0.145	4	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(O[6]C[3x6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(O[6]C[3x6])(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){6|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.2230	0.000	1	108.2230	0.000	1	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]O[6]H)(OC)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]O[6]H)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	109.6130	0.000	1	109.6130	0.000	1	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]O[6]H)(OH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]O[6]H)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	108.5344	0.246	5	108.5344	0.060	5	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.8614	0.703	8	109.8614	0.495	8	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.3280	0.100	2	109.3280	0.010	2	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.7695	1.145	2	110.7695	1.311	2	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.2490	0.000	1	109.6585	0.335	2	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|N<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.0680	0.000	1	109.6585	0.335	2	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	107.0070	0.000	1	107.0070	0.000	1	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.6457	0.243	3	109.1018	1.618	5	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	106.8480	0.000	1	109.1018	1.618	5	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.7240	0.000	1	109.1018	1.618	5	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CO)(OH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(O[6]C[6])(H){1|C<2>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CO)(OH)(H){1|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.4390	0.041	2	109.4390	0.002	2	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	106.1960	0.000	1	106.1960	0.000	1	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	107.8890	0.000	1	108.7393	0.801	3	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.1645	0.719	2	108.7393	0.801	3	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.2150	0.000	1	108.6000	0.756	2	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	107.9850	0.000	1	108.6000	0.756	2	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC[6a])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC[6a])(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.3110	0.000	1	109.3110	0.000	1	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.6490	0.492	2	109.2013	0.220	6	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	108.9775	0.291	4	109.2013	0.220	6	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OP)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OP)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.4450	0.461	2	109.4450	0.213	2	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<2>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.9115	0.170	2	109.2489	0.191	21	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.2900	0.000	1	109.2489	0.191	21	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.2190	0.000	1	109.2489	0.191	21	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.2836	0.350	5	109.2489	0.191	21	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.0170	0.000	1	109.2489	0.191	21	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.3170	0.000	1	109.2489	0.191	21	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.6150	0.000	1	109.2489	0.191	21	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.1750	0.421	7	109.2489	0.191	21	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.1510	0.209	2	109.2489	0.191	21	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,1|O<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.4760	0.000	1	109.2203	1.437	17	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|O<2>,1|O<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.9957	0.409	9	109.2203	1.437	17	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.8010	0.000	1	109.2203	1.437	17	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.0897	0.669	3	109.2203	1.437	17	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.9970	3.999	2	109.2203	1.437	17	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.2440	0.000	1	109.2203	1.437	17	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OS)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OS)(H){1|O<2>,1|S<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.6675	1.207	4	108.8882	1.335	5	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OS)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OS)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.7710	0.000	1	108.8882	1.335	5	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N[5]H)(OH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N[5]H)(OH)(H){1|O<2>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.3660	0.000	1	109.2180	0.044	2	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N[5]H)(OH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N[5]H)(OH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.0700	0.000	1	109.2180	0.044	2	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]CH)(OC)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|S<2>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]CH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.5370	0.000	1	108.5370	0.000	1	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(OH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){2|H<1>,3|C<4>,3|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.9055	0.054	2	108.9055	0.003	2	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(OS)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){2|H<1>,3|C<4>,3|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(OS)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.1400	0.000	1	108.1400	0.000	1	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HS)(OH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|S<2>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HS)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.9630	0.000	1	108.9630	0.000	1	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[5a,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]N[5a,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.8120	0.000	1	108.8120	0.000	1	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<2>,1|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.2395	0.032	2	109.4360	0.116	3	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.8290	0.000	1	109.4360	0.116	3	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]O[6]2H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]O[6]2H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.2377	0.364	3	109.2377	0.132	3	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]O[6]S[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]O[6]S[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,1|S<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.0110	0.000	1	109.0110	0.000	1	109.0790	0.869	111	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:S[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]O[6]S[6]H)(C[6]C[6]HO)(S[6]C[6])(H)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6,6]C[6,6]C[6]S[6])	C[6,6](C[6,6]O[6]S[6]H)(C[6]C[6]HO)(S[6]C[6])(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]S[6])	108.1890	0.000	1	108.1890	0.000	1	108.1890	0.000	1	109.0728	0.700	154	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NHS)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NHS)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	108.1680	0.000	1	108.1680	0.000	1	108.1680	0.000	1	109.3983	0.674	4	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:C[5a]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6]C[5a]H)(C[6,6]C[6]2H)(O[6]C[6,6a])(H)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6]C[5,6]C[5a]H)(C[6,6]C[6]2H)(O[6]C[6,6a])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|N<3>,7|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	109.8083	0.046	3	109.8083	0.002	3	109.8083	0.002	3	109.3983	0.674	4	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(O[6]C[6])(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6]O[6])	108.2520	0.000	1	108.2520	0.000	1	108.3040	0.012	4	109.0504	0.981	20	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(O[6]C[6])(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)(CH3)(H)	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6]O[6])	108.4430	0.000	1	108.4430	0.000	1	108.3040	0.012	4	109.0504	0.981	20	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(O[6]S[6])(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(O[6]S[6])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CCCH)(H){1|S<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6]O[6])	108.2605	0.095	2	108.2605	0.009	2	108.3040	0.012	4	109.0504	0.981	20	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5]C[6]H)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[5]C[5,6]C[5]H)(C[6]O[6]HH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5]C[6]H)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[5]C[5,6]C[5]H)(C[6]O[6]HH)(H){1|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.3460	0.000	1	108.3460	0.000	1	108.3460	0.000	1	109.0504	0.981	20	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]CH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]CH)(CH3)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]CH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]CH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	107.6680	0.000	1	107.6680	0.000	1	108.3780	1.062	5	109.0504	0.981	20	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CCCH)(H){3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	107.7155	0.624	2	107.7155	0.390	2	108.3780	1.062	5	109.0504	0.981	20	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.9460	0.000	1	108.9460	0.000	1	108.3780	1.062	5	109.0504	0.981	20	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CC[5]HH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CC[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.8450	0.000	1	109.8450	0.000	1	108.3780	1.062	5	109.0504	0.981	20	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:N-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NIrHH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<4>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NIrHH)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	110.4670	0.160	2	110.4670	0.026	2	109.6262	0.516	8	109.0504	0.981	20	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:N-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NRhHH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<4>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NRhHH)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.2288	0.568	5	109.3460	0.341	6	109.6262	0.516	8	109.0504	0.981	20	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:N-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NRhHH)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H){1|C<4>,1|N<4>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NRhHH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.9320	0.000	1	109.3460	0.341	6	109.6262	0.516	8	109.0504	0.981	20	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:S-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HS)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(SC[6a]OO)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HS)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(SC[6a]OO)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	110.2735	0.323	2	110.2735	0.104	2	110.2735	0.104	2	109.0504	0.981	20	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]CO)(O[6]C[6])(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CH3)(OH)	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]CO)(O[6]C[6])(H){1|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CH3)(OH){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6]O[6])	106.6380	0.000	1	106.6380	0.000	1	107.7350	0.543	4	107.6060	0.373	6	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CO)(O[6]C[6])(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CH3)(OH)	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CO)(O[6]C[6])(H){1|N<2>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6]O[6])	108.0210	0.000	1	108.0390	0.001	2	107.7350	0.543	4	107.6060	0.373	6	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CO)(O[6]C[6])(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CH3)(OH)	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CO)(O[6]C[6])(H){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6]O[6])	108.0570	0.000	1	108.0390	0.001	2	107.7350	0.543	4	107.6060	0.373	6	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2O)(C[6]C[6]CO)(O[6]C[6])(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)(CH3)(OH)	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6]2O)(C[6]C[6]CO)(O[6]C[6])(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)(CH3)(OH){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6]O[6])	108.2240	0.000	1	108.2240	0.000	1	107.7350	0.543	4	107.6060	0.373	6	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[3,5,6,6]HH)(C[6]C[6]CO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[3,5,6]CC)(CH3)(OH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[3,5,6,6]HH)(C[6]C[6]CO)(O[6]C[6])(H){1|O<1>,5|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[3,5,6]CC)(CH3)(OH){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	107.4820	0.000	1	107.4820	0.000	1	107.3480	0.036	2	107.6060	0.373	6	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]CO)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]CC)(CH3)(OH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]CO)(O[6]C[6])(H){1|O<1>,5|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]CC)(CH3)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	107.2140	0.000	1	107.2140	0.000	1	107.3480	0.036	2	107.6060	0.373	6	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6]O)(C[6]C[6]CC)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[3,6]HO)(CH3)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[3,6]C[6]O)(C[6]C[6]CC)(O[6]C[6])(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[3,6]HO)(CH3)2{1|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.8350	0.000	1	108.8350	0.000	1	108.8350	0.000	1	108.8350	0.000	1	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6]N[6])	107.2330	0.000	1	107.4636	0.107	10	107.3836	0.531	28	107.6765	0.692	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,3|C<4>,4|C<3>}	H(C[6,6]C[3x6]C[6]N[6])	107.6828	0.088	5	107.4636	0.107	10	107.3836	0.531	28	107.6765	0.692	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[3x6]C[6]N[6])	107.2473	0.389	4	107.4636	0.107	10	107.3836	0.531	28	107.6765	0.692	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6,6]C[3x6]C[6]N[6])	107.6680	0.000	1	107.5640	0.022	2	107.3836	0.531	28	107.6765	0.692	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6,6]C[3x6]C[6]N[6])	107.4600	0.000	1	107.5640	0.022	2	107.3836	0.531	28	107.6765	0.692	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|Cl<1>,1|H<1>,2|C<3>,4|C<4>}	H(C[6,6]C[3x6]C[6]N[6])	106.7980	0.000	1	107.4038	0.935	14	107.3836	0.531	28	107.6765	0.692	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6]N[6])	107.1095	0.627	4	107.4038	0.935	14	107.3836	0.531	28	107.6765	0.692	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[3x6]C[6]N[6])	107.6019	1.113	9	107.4038	0.935	14	107.3836	0.531	28	107.6765	0.692	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6,6]C[3x6]C[6]N[6])	106.6620	0.168	2	106.6620	0.028	2	107.3836	0.531	28	107.6765	0.692	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[4,4x6]-4:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4,4x6]C[5,4x6]C[4,6]O[4,6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[4,4x6]N[6]H)(H)2	H(C[6,6]C[4,4x6]C[6]N[6])	C[6,6](C[4,4x6]C[5,4x6]C[4,6]O[4,6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[4,4x6]N[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6,6]C[4,4x6]C[6]N[6])	107.9340	0.000	1	107.9340	0.000	1	107.9340	0.000	1	107.6765	0.692	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:N[6,6]-3:H-1:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[5,6]N[6,6]H)(H)2	H(C[6,6]C[5,6]N[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]H)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[5,6]N[6,6]H)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[5,6]N[6,6]C[6])	108.9110	0.000	1	108.9110	0.000	1	108.9110	0.000	1	107.6765	0.692	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[5x6]-4:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2	H(C[6,6]C[5x6]C[6]N[6])	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[5x6]C[6]N[6])	107.7135	0.356	2	107.8278	0.263	8	107.8278	0.263	8	107.6765	0.692	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[5x6]-4:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2	H(C[6,6]C[5x6]C[6]N[6])	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){3|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2{1|C<2>,1|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[5x6]C[6]N[6])	108.3490	0.000	1	107.8278	0.263	8	107.8278	0.263	8	107.6765	0.692	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[5x6]-4:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2	H(C[6,6]C[5x6]C[6]N[6])	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){3|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[5x6]C[6]N[6])	107.7692	0.592	5	107.8278	0.263	8	107.8278	0.263	8	107.6765	0.692	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6,6]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6,6]C[6]2)(H){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2{1|N<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]2C[6])	107.5100	0.000	1	107.5100	0.000	1	107.5100	0.000	1	107.6765	0.692	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[4,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[4,6]HH)(C[6]C[6,6a]O)(H)	C[6](C[4,6]C[4,5,6]C[4,6])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[4,6]HH)(C[6]C[6,6a]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[4,6]C[4,5,6]C[4,6])(C[6,6]C[6,6]C[6]H)(H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.8320	0.375	4	107.8320	0.141	4	107.8320	0.141	4	107.6765	0.692	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.7830	0.000	1	106.7830	0.000	1	106.7830	0.000	1	107.6765	0.692	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6,6]-3:H-1:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]N[6,6]H)(H)2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]N[6,6]H)(H)2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	106.9400	0.000	1	106.9387	0.011	3	106.9387	0.011	3	107.6765	0.692	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6,6]-3:H-1:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]N[6,6]H)(H)2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]N[6,6]H)(H)2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	106.9380	0.148	2	106.9387	0.011	3	106.9387	0.011	3	107.6765	0.692	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H){2|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]N[6])	108.5040	0.000	1	108.5040	0.000	1	108.4916	0.995	8	107.6765	0.692	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	108.5000	0.000	1	108.4638	0.063	4	108.4916	0.995	8	107.6765	0.692	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H){3|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]N[6])	108.4517	0.307	3	108.4638	0.063	4	108.4916	0.995	8	107.6765	0.692	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]S)(H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]S)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2{1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]N[6])	106.6340	0.000	1	106.6340	0.000	1	108.4916	0.995	8	107.6765	0.692	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[5a,6]HH)(N[6]C[6]C)(H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[5a,6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	109.4700	1.187	2	109.4700	1.408	2	108.4916	0.995	8	107.6765	0.692	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	107.1790	0.000	1	107.1790	0.000	1	108.3615	2.797	2	107.6765	0.692	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(N[6]C[6]S)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(N[6]C[6]S)(H){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.5440	0.000	1	109.5440	0.000	1	108.3615	2.797	2	107.6765	0.692	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]O)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.9340	0.000	1	107.9340	0.000	1	107.9340	0.000	1	107.6765	0.692	58	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]HO)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]HO)(C[6]C[6]O)(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.9380	0.000	1	105.9380	0.000	1	105.9380	0.000	1	107.3087	1.630	3	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	3:4:2:1:	4:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[5a,6]-3:C[6,6]-4:N-2:H-1:	C[6,6]-4:	C[6,6](C[6]C[5a,6]HN)(C[6,6]C[6]2H)(C[6]O[6]O)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(NS)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5a,6]HN)(C[6,6]C[6]2H)(C[6]O[6]O)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(NS)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.4640	0.000	1	108.4640	0.000	1	108.4640	0.000	1	107.3087	1.630	3	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	3:4:2:1:	4:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.5240	0.000	1	107.5240	0.000	1	107.5240	0.000	1	107.3087	1.630	3	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5a,6]-3:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[5a,6]C)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(COO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[5a,6]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(COO)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.5550	0.000	1	107.5550	0.000	1	107.5550	0.000	1	108.6445	3.241	6	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	N[5,6]-3:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(C[6]N[5,6]CH)(C[6]C[6]C)(H)	C[6](N[5,6]C[5,3x6]C[5,6a])(C[6,6]C[6,6]C[6]H)(COO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]HH)(C[6]N[5,6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](N[5,6]C[5,3x6]C[5,6a])(C[6,6]C[6,6]C[6]H)(COO)(H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.6140	0.000	1	108.6140	0.000	1	108.6405	0.001	2	108.6445	3.241	6	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	N[5,6]-3:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(C[6]N[5,6]CH)(C[6]C[6]C)(H)	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6,6]C[6,6]C[6]H)(COO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]HH)(C[6]N[5,6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6,6]C[6,6]C[6]H)(COO)(H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.6670	0.000	1	108.6670	0.000	1	108.6405	0.001	2	108.6445	3.241	6	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<1>,2|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4495	0.002	2	107.4495	0.000	2	109.0103	7.309	3	108.6445	3.241	6	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	112.1320	0.000	1	112.1320	0.000	1	109.0103	7.309	3	108.6445	3.241	6	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]C)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CHHO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]C)(H){1|C<3>,2|N<3>,3|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CHHO)(H){2|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.6893	0.176	3	108.6893	0.031	3	108.6893	0.031	3	107.7109	1.362	7	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]CH)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CHHN)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]CH)(C[6]C[6]O)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CHHN)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8070	0.000	1	107.8070	0.000	1	107.8070	0.000	1	107.7109	1.362	7	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C[6,6]-3:H-1:	C[5a,6]-3:C[6,6]-4:N-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6,6]HH)(C[6]C[5a,6]HN)(C[6,6]C[6]2)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]H)(NCCH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5,6,6]HH)(C[6]C[5a,6]HN)(C[6,6]C[6]2)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]H)(NCCH)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	105.5200	0.000	1	105.5200	0.000	1	105.5200	0.000	1	107.7109	1.362	7	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]CH)(C[6]C[6,6]HO)(C[6,6]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]CH)(C[6]C[6,6]HO)(C[6,6]C[6]2)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.2905	0.276	2	107.2905	0.076	2	107.2905	0.076	2	107.7109	1.362	7	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[6]C[6,6a]CO)(C[6]C[6,6]HH)(C[6,6]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]CO)(C[6]C[6,6]HH)(C[6,6]C[6]2)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)(OH){1|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	99.1191	0.000	3	99.1191	0.000	3	99.1191	0.000	3	99.1191	0.000	3	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5a,6]-3:C[6,6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CC)(C[6]C[6]C)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CHHO)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CC)(C[6]C[6]C)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CHHO)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.1360	0.000	1	108.1360	0.000	1	108.1360	0.000	1	108.2515	0.027	2	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	3:4:4:4:	4:	C[6]-4:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6]C[6,6a]CC)(C[6,6]C[6]2H)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(CH3)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6]C[6,6a]CC)(C[6,6]C[6]2H)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(CH3)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	108.3670	0.000	1	108.3670	0.000	1	108.3670	0.000	1	108.2515	0.027	2	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:2:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[6]O[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[3x6])(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[4x6]C[6]H)(C[6]O[6]HH)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[3x6])(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6]2)	109.6130	0.000	1	109.6130	0.000	1	109.6130	0.000	1	109.0545	0.596	8	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:2:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]O[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(O[6]C[5,6])(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]O[6]HH)(C[6]C[6]O)(H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(O[6]C[5,6])(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	109.8860	0.000	1	109.8860	0.000	1	109.8860	0.000	1	109.0545	0.596	8	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]HH)(C[6]C[6]H)(H){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2{2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.5760	0.382	2	108.5760	0.146	2	108.2807	0.335	3	109.0545	0.596	8	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]O[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]O[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.6900	0.000	1	107.6900	0.000	1	108.2807	0.335	3	109.0545	0.596	8	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]O[6]HH)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]N[6]H)(O[6]C[6,6a])(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]O[6]HH)(N[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(O[6]C[6,6a])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	109.8840	0.000	1	109.8840	0.000	1	109.3650	0.205	3	109.0545	0.596	8	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]O[6]HH)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]O[6]HH)(N[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]N[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	109.1640	0.000	1	109.1640	0.000	1	109.3650	0.205	3	109.0545	0.596	8	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(N[6]C[6]S)(H)	C[6](C[6,6]C[6,6]N[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(N[6]C[6]S)(H){2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(O[6]C[6])(H)2{1|O<2>,1|S<4>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.0470	0.000	1	109.0470	0.000	1	109.3650	0.205	3	109.0545	0.596	8	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]2H)(C[6]O[6]CH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]2H)(C[6]O[6]CH)(C[6]O[6]O)(H){4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.3260	0.000	1	108.3260	0.000	1	107.7613	0.255	3	107.7613	0.255	3	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]O[6]CH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCHH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]O[6]CH)(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCHH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.6060	0.000	1	107.6060	0.000	1	107.7613	0.255	3	107.7613	0.255	3	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]O[6]CH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]N[6])(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]O[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]N[6])(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3520	0.000	1	107.3520	0.000	1	107.7613	0.255	3	107.7613	0.255	3	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:2:4:4:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]O[6]CC)(C[6]C[6]C)(H)	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6a])(CH3)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]O[6]CC)(C[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6a])(CH3)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6,6]C[3x6]C[6]2)	107.6150	0.151	2	107.6150	0.023	2	107.6150	0.023	2	107.1947	0.541	3	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]CC)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]CC)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	106.3540	0.000	1	106.3540	0.000	1	106.3540	0.000	1	107.1947	0.541	3	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]N)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]N)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6,6]C[3x6]C[6]2)	108.8590	0.000	1	108.8590	0.000	1	108.3917	0.164	3	107.7045	1.371	59	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6,6]C[3x6]C[6]2)	108.1580	0.000	2	108.1580	0.000	2	108.3917	0.164	3	107.7045	1.371	59	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6]HH)(N[6]C[6]C)(H)	C[6](C[6,6]C[3x6]N[6]H)(C[6,6]C[6,6]C[6])(H)2	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[3x6]N[6]H)(C[6,6]C[6,6]C[6])(H)2{1|H<1>,3|C<4>,4|C<3>}	H(C[6,6]C[3x6]C[6]N[6])	107.7030	0.000	1	107.7030	0.000	1	107.7030	0.000	1	107.7045	1.371	59	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5]O[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,5,6]O)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,5]O[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,5,6]O)(H)2{1|O<1>,1|O<2>,5|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	109.2720	0.000	2	109.2720	0.000	2	108.7694	0.738	5	107.7045	1.371	59	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|I<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	109.2920	0.000	1	109.2920	0.000	1	108.7694	0.738	5	107.7045	1.371	59	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	108.0055	1.003	2	108.0055	1.007	2	108.7694	0.738	5	107.7045	1.371	59	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2{2|O<2>,3|C<3>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.7040	0.000	1	105.7040	0.000	1	105.7040	0.000	1	107.7045	1.371	59	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.8090	0.000	1	107.8090	0.000	1	107.4007	1.188	40	107.7045	1.371	59	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.9730	0.000	1	108.9730	0.000	1	107.4007	1.188	40	107.7045	1.371	59	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]O)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.6470	0.000	1	105.5530	0.018	2	107.4007	1.188	40	107.7045	1.371	59	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]O)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.4590	0.000	1	105.5530	0.018	2	107.4007	1.188	40	107.7045	1.371	59	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.2950	0.000	1	106.2950	0.000	1	107.4007	1.188	40	107.7045	1.371	59	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,1|O<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.9523	0.529	3	106.9523	0.280	3	107.4007	1.188	40	107.7045	1.371	59	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.7160	0.000	1	106.7160	0.000	1	107.4007	1.188	40	107.7045	1.371	59	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4380	0.000	1	107.4380	0.000	1	107.4007	1.188	40	107.7045	1.371	59	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4270	0.000	1	107.4270	0.000	1	107.4007	1.188	40	107.7045	1.371	59	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4565	0.127	2	107.4565	0.016	2	107.4007	1.188	40	107.7045	1.371	59	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.4570	0.000	1	108.4570	0.000	1	107.4007	1.188	40	107.7045	1.371	59	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[6,6]C[6,6]C[6]2)	108.9760	0.000	1	108.9760	0.000	1	107.4007	1.188	40	107.7045	1.371	59	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]2)	108.4880	0.000	1	108.7394	0.052	5	107.4007	1.188	40	107.7045	1.371	59	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]2)	108.7000	0.000	1	108.7394	0.052	5	107.4007	1.188	40	107.7045	1.371	59	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]2)	108.5800	0.000	1	108.7394	0.052	5	107.4007	1.188	40	107.7045	1.371	59	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|O<2>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.9645	0.125	2	108.7394	0.052	5	107.4007	1.188	40	107.7045	1.371	59	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]N)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]N)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]2)	108.9660	0.000	1	108.9660	0.000	1	107.4007	1.188	40	107.7045	1.371	59	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2{3|C<3>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.6580	0.000	1	105.9016	0.187	5	107.4007	1.188	40	107.7045	1.371	59	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2{3|C<3>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.7125	0.105	4	105.9016	0.187	5	107.4007	1.188	40	107.7045	1.371	59	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|Br<1>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.7450	0.000	1	106.7450	0.000	1	107.4007	1.188	40	107.7045	1.371	59	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6500	0.170	3	107.5940	0.238	6	107.4007	1.188	40	107.7045	1.371	59	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5380	0.746	3	107.5940	0.238	6	107.4007	1.188	40	107.7045	1.371	59	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.2900	0.000	1	106.2900	0.000	1	107.4007	1.188	40	107.7045	1.371	59	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.8040	0.000	1	106.9615	0.050	2	107.4007	1.188	40	107.7045	1.371	59	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.1190	0.000	1	106.9615	0.050	2	107.4007	1.188	40	107.7045	1.371	59	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.6890	0.000	1	107.6890	0.000	1	107.4007	1.188	40	107.7045	1.371	59	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.9160	0.000	1	108.9160	0.000	1	107.4007	1.188	40	107.7045	1.371	59	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.4290	0.000	1	107.4290	0.000	1	107.4007	1.188	40	107.7045	1.371	59	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6a]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6a]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.3330	0.000	1	108.3330	0.000	1	107.4007	1.188	40	107.7045	1.371	59	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)(C[6]C[6]C)(H){1|O<1>,1|S<4>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.6370	0.000	1	108.6370	0.000	1	108.1575	0.460	2	107.7045	1.371	59	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]C[6]C)(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6780	0.000	1	107.6780	0.000	1	108.1575	0.460	2	107.7045	1.371	59	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]O[6]O)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]O[6]O)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	110.7880	0.000	1	110.7880	0.000	1	108.6880	1.690	6	107.7045	1.371	59	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]N[6])	108.7410	0.000	1	108.7410	0.000	1	108.6880	1.690	6	107.7045	1.371	59	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.1960	0.000	1	108.6235	0.366	2	108.6880	1.690	6	107.7045	1.371	59	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.0510	0.000	1	108.6235	0.366	2	108.6880	1.690	6	107.7045	1.371	59	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]N[6])	108.5750	0.000	1	108.5750	0.000	1	108.6880	1.690	6	107.7045	1.371	59	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	106.7770	0.000	1	106.7770	0.000	1	108.6880	1.690	6	107.7045	1.371	59	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]N[6]H)(N[6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)(N[6]C[6]C)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(N[6]C[6]H)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.6690	0.000	1	107.6690	0.000	1	107.6690	0.000	1	107.7045	1.371	59	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:2:1:	4:	C[3,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[3,6,6]N[3,6]C[3]C[6])(C[6]C[6a]O[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6a]C[6a]2)(O[6]Si[6])(H)	H(C[6,6]C[3,6,6]C[6]2)	C[6,6](C[3,6,6]N[3,6]C[3]C[6])(C[6]C[6a]O[6]H)(C[6]C[6]H)(H){1|Si<4>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6a]C[6a]2)(O[6]Si[6])(H){1|N<3>,3|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[3,6,6]C[6]2)	105.5260	0.000	1	105.5260	0.000	1	105.5260	0.000	1	107.2286	1.816	8	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HO)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HO)(C[6]C[6]C)(H){3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(OH)(H){1|O<1>,3|C<3>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.5210	0.000	1	106.5210	0.000	1	106.5210	0.000	1	107.2286	1.816	8	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HO)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.0275	0.104	2	109.0275	0.011	2	109.0275	0.011	2	107.2286	1.816	8	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]O)(H){6|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.2580	0.000	1	108.2580	0.000	1	107.2485	2.038	2	107.2286	1.816	8	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,4|H<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	106.2390	0.000	1	106.2390	0.000	1	107.2485	2.038	2	107.2286	1.816	8	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:S[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]S[6]H)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(S[6]C[6,6a])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]S[6]H)(C[6]O[6]O)(H){1|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(S[6]C[6,6a])(H){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	106.7500	0.000	1	106.7500	0.000	1	106.7500	0.000	1	107.2286	1.816	8	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:S-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HS)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(SC)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HS)(N[6,6]C[6]2)(H){1|O<2>,2|H<1>,3|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(SC)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	H(C[6,6]C[6,6]N[6,6]C[6])	106.4800	0.000	1	106.4800	0.000	1	106.4800	0.000	1	107.2286	1.816	8	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HI)(C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HI)(C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){1|C<4>,1|I<1>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.5030	0.000	1	109.5030	0.000	1	109.5030	0.000	1	108.4976	1.574	24	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,3|H<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.8190	0.000	1	107.8190	0.000	1	107.9000	0.013	2	108.4976	1.574	24	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(C[6]O[6]O)(H){2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.9810	0.000	1	107.9810	0.000	1	107.9000	0.013	2	108.4976	1.574	24	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]ClH)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CCH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]ClH)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CCH)(H){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	108.7325	0.042	2	108.7325	0.002	2	108.7325	0.002	2	108.4976	1.574	24	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.8500	0.000	1	107.4317	0.588	7	107.4317	0.588	7	108.4976	1.574	24	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|H<1>,2|C<3>,2|O<1>,3|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.8995	0.319	2	107.4317	0.588	7	107.4317	0.588	7	108.4976	1.574	24	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,2|O<1>,2|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.3432	0.935	4	107.4317	0.588	7	107.4317	0.588	7	108.4976	1.574	24	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|O<1>,3|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.3635	0.298	2	106.3635	0.089	2	106.3635	0.089	2	108.4976	1.574	24	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]N[6]H)2(C[6,6]C[6,6]N)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]N[6]H)2(C[6,6]C[6,6]N)(H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<2>,1|N<3>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.8340	0.263	3	109.8340	0.069	3	109.6425	0.064	10	108.4976	1.574	24	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]N[6]H)2(C[6,6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]N[6]H)2(C[6,6]C[6,6]O)(H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.5604	0.215	7	109.5604	0.046	7	109.6425	0.064	10	108.4976	1.574	24	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(CH3)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(CH3)(H){1|O<1>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6]2)	105.2190	0.000	1	105.2190	0.000	1	105.2190	0.000	1	108.2311	1.859	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(CCCH)(H)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]CH)(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	111.3240	0.000	1	111.3240	0.000	1	109.9095	4.002	2	108.2311	1.859	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(CCHH)(H)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]CH)(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	108.4950	0.000	1	108.4950	0.000	1	109.9095	4.002	2	108.2311	1.859	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<2>,5|C<3>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.2120	0.000	1	107.0965	0.027	2	107.0965	0.027	2	108.2311	1.859	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>,5|C<3>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.9810	0.000	1	107.0965	0.027	2	107.0965	0.027	2	108.2311	1.859	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(CH3)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.9855	0.254	2	106.9855	0.064	2	108.4379	1.894	12	108.2311	1.859	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(CH3)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.6900	0.000	1	105.6900	0.000	1	108.4379	1.894	12	108.2311	1.859	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CH3)(H){1|O<1>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.1680	0.000	1	109.1680	0.000	1	108.4379	1.894	12	108.2311	1.859	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H){3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8080	0.072	2	107.8080	0.005	2	108.4379	1.894	12	108.2311	1.859	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.7610	0.070	4	109.4683	0.260	6	108.4379	1.894	12	108.2311	1.859	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)(H){1|N<4>,1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.8830	0.506	2	109.4683	0.260	6	108.4379	1.894	12	108.2311	1.859	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,3|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4710	0.000	1	108.4710	0.000	1	108.4710	0.000	1	108.2311	1.859	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(CC[5a]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(CC[5a]HH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.5030	0.000	1	108.5030	0.000	1	108.4805	0.001	2	108.2311	1.859	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CCHH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]N[6]O)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	H(C[6,6]C[6,6]C[6]2)	108.4580	0.000	1	108.4580	0.000	1	108.4805	0.001	2	108.2311	1.859	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]ClH)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CCHO)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]ClH)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CCHO)(H){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	108.8400	0.000	1	108.8400	0.000	1	108.5115	0.216	2	108.2311	1.859	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]ClH)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CClCH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]ClH)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CClCH)(H){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	108.1830	0.000	1	108.1830	0.000	1	108.5115	0.216	2	108.2311	1.859	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<4>,4|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|C<4>,3|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2390	0.000	1	107.6120	0.129	3	107.6120	0.129	3	108.2311	1.859	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<4>,4|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){3|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7985	0.221	2	107.6120	0.129	3	107.6120	0.129	3	108.2311	1.859	25	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:C-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CO)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CCHH)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CO)(C[6]N[6]O)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CCHH)(OH){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	H(C[6,6]C[6,6]C[6]2)	107.6660	1.138	2	107.6660	1.296	2	107.6660	1.296	2	107.4173	0.834	3	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:4:2:	4:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]O)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(OH){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9200	0.000	1	106.9200	0.000	1	106.9200	0.000	1	107.4173	0.834	3	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.1340	0.000	1	104.1340	0.000	1	104.5727	0.332	6	104.5727	0.332	6	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.2410	0.000	1	105.2410	0.000	1	104.5727	0.332	6	104.5727	0.332	6	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	103.7750	0.000	1	104.5152	0.336	4	104.5727	0.332	6	104.5727	0.332	6	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.4160	0.000	1	104.5152	0.336	4	104.5727	0.332	6	104.5727	0.332	6	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.9350	0.314	2	104.5152	0.336	4	104.5727	0.332	6	104.5727	0.332	6	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	B[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)(C[6]C[6]H)(H){3|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,3|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.4820	0.000	1	108.4820	0.000	1	108.4820	0.000	1	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]CH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){3|H<1>,6|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.8010	0.000	1	106.8010	0.000	1	107.8058	0.974	21	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){5|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6]2)	107.7365	0.141	2	107.7365	0.020	2	107.8058	0.974	21	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.7537	0.264	4	106.7537	0.070	4	107.8058	0.974	21	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|N<4>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.1550	0.000	1	108.1550	0.000	1	107.8058	0.974	21	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<2>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.3720	0.000	1	107.9623	0.485	3	107.8058	0.974	21	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6]2)	108.3570	0.000	1	107.9623	0.485	3	107.8058	0.974	21	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<2>,2|C<4>,2|N<3>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<2>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.1580	0.000	1	107.9623	0.485	3	107.8058	0.974	21	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|N<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.2630	0.000	1	108.2630	0.000	1	107.8058	0.974	21	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|O<1>,3|C<4>}	H(C[6,6]C[3x6]C[6]2)	109.0290	1.246	2	108.7142	1.067	4	107.8058	0.974	21	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6]2)	109.1910	0.000	1	108.7142	1.067	4	107.8058	0.974	21	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6,6]C[3x6]C[6]2)	107.6080	0.000	1	108.7142	1.067	4	107.8058	0.974	21	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|B<4>,1|C<3>,2|C<4>,9|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6]2)	106.0710	0.000	1	106.0710	0.000	1	107.8058	0.974	21	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6]2)	107.7290	0.000	1	107.6915	0.003	2	107.8058	0.974	21	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]C)(H){2|C<4>,3|O<2>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[3x6]C[6]2)	107.6540	0.000	1	107.6915	0.003	2	107.8058	0.974	21	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6]2)	109.0080	0.000	2	109.0080	0.000	2	107.8058	0.974	21	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6,6]C[3x6]N[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){4|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]N[6]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6]N[6])	106.7650	0.000	1	106.7650	0.000	1	106.7650	0.000	1	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[5x6]O[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[4x6]C[6]H)2(H)2	H(C[6,6]C[4x6]C[6]2)	C[6,6](C[4x6]C[5x6]O[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]H)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[4x6]C[6]H)2(H)2{3|H<1>,3|O<2>,4|C<4>}	H(C[6,6]C[4x6]C[6]2)	110.5290	0.000	1	110.5290	0.000	1	110.5290	0.000	1	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[4x6]C[6]2)	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[4x6]C[6]2)	105.0020	0.000	1	105.2714	0.047	5	105.2714	0.047	5	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[4x6]C[6]2)	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[4x6]C[6]2)	105.4600	0.075	2	105.2714	0.047	5	105.2714	0.047	5	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[4x6]C[6]2)	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[4x6]C[6]2)	105.0910	0.000	1	105.2714	0.047	5	105.2714	0.047	5	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[4x6]C[6]2)	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[4x6]C[6]2)	105.3440	0.000	1	105.2714	0.047	5	105.2714	0.047	5	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]C)(C[6,6]C[5,6,6]C[6]H)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6,6]HH)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|O<2>,6|C<4>}	C[6](C[5,6,6]C[5,5,6,6]O[5,6]C)(C[6,6]C[5,6,6]C[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	105.3070	0.326	4	105.3070	0.106	4	105.3070	0.106	4	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5]O[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,5,6]BrH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,5]O[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|Br<1>,1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,5,6]BrH)(H)2{1|O<1>,1|O<2>,5|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	107.6070	0.000	2	107.6070	0.000	2	107.6817	0.305	11	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(C[6]O[6]O)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	107.3970	0.000	1	107.3970	0.000	1	107.6817	0.305	11	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	107.9340	0.000	1	107.9340	0.000	1	107.6817	0.305	11	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,2|C<4>,8|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	108.1058	0.244	4	108.1058	0.059	4	107.6817	0.305	11	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]HH)(C[6]N[6]O)(H){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	106.2860	0.000	1	106.2860	0.000	1	107.6817	0.305	11	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]N[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]N[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	107.6225	0.213	2	107.6225	0.045	2	107.6817	0.305	11	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]N[6])	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[5,6,6]C[6]N[6])	110.5260	0.000	1	109.2165	0.945	4	108.4785	3.112	6	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]N[6])	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[6]N[6])	108.7800	0.524	3	109.2165	0.945	4	108.4785	3.112	6	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[5,6,6]C[6]N[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<1>,5|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[5,6,6]C[6]N[6])	105.2430	0.000	1	105.2430	0.000	1	108.4785	3.112	6	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]N[5,6]C[6a])(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]N[6])	C[6,6](C[5,6,6]C[5,6]N[5,6]C[6a])(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(C[6,6]C[5,6,6]C[6]N[6])	108.7620	0.000	1	108.7620	0.000	1	108.4785	3.112	6	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|C<2>,1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.5455	0.443	2	106.7288	1.155	12	106.7288	1.155	12	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.9080	0.000	1	106.7288	1.155	12	106.7288	1.155	12	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.4060	0.000	1	106.7288	1.155	12	106.7288	1.155	12	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.2404	0.590	7	106.7288	1.155	12	106.7288	1.155	12	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[5,6]C[6,6]C[6])	104.6580	0.000	1	106.7288	1.155	12	106.7288	1.155	12	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6,6]-3:H-1:	C[3,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(C[6,6]C[6]2)(H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(C[6,6]C[6]2)(H){1|O<2>,5|C<4>,6|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|O<2>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.9650	0.000	1	106.1450	0.065	2	106.1450	0.065	2	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6,6]-3:H-1:	C[3,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(C[6,6]C[6]2)(H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(C[6,6]C[6]2)(H){1|O<2>,5|C<4>,6|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]2H)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.3250	0.000	1	106.1450	0.065	2	106.1450	0.065	2	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6,6]C)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6,6]C)(H){2|H<1>,4|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2{1|O<1>,2|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.7540	0.000	1	105.7540	0.000	1	107.2043	0.713	24	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,3|H<1>,3|O<2>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.3400	0.000	1	107.3400	0.000	1	107.2043	0.713	24	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]O[6]O)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]O[6]O)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.2680	0.000	1	105.2680	0.000	1	107.2043	0.713	24	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.8338	0.170	5	106.8338	0.029	5	107.2043	0.713	24	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(H){3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,2|C<3>,2|O<2>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.4950	0.025	2	106.4950	0.001	2	107.2043	0.713	24	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2{1|O<1>,2|C<3>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.5090	0.171	2	106.5090	0.029	2	107.2043	0.713	24	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,4|C<3>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.9360	0.124	4	107.9360	0.015	4	107.2043	0.713	24	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.8330	0.038	2	107.8330	0.001	2	107.2043	0.713	24	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]N)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]N)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|N<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8850	0.000	1	106.8850	0.000	1	107.2043	0.713	24	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6,6a]O)(H)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.2180	0.368	3	108.2180	0.136	3	107.2043	0.713	24	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6,6a]O)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.0840	0.000	1	107.7080	0.779	2	107.2043	0.713	24	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6,6a]O)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.3320	0.000	1	107.7080	0.779	2	107.2043	0.713	24	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6,6a]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6,6a]O)(H){1|C<4>,6|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(H)2{1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[6,6]C[6,6]C[6]2)	107.8813	0.146	3	107.8813	0.021	3	107.8813	0.021	3	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[5,3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[5,3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.5080	0.000	1	105.8495	0.233	2	106.6961	0.576	9	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[5,3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H){2|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.1910	0.000	1	105.8495	0.233	2	106.6961	0.576	9	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[5,3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2{3|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.2080	0.000	1	107.2080	0.000	1	106.6961	0.576	9	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[5,3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[5,3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.7210	0.000	1	106.7210	0.000	1	106.6961	0.576	9	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.6160	0.000	1	107.6160	0.000	1	106.6961	0.576	9	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.7180	0.000	1	106.7713	0.907	3	106.6961	0.576	9	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,2|O<2>,4|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.2980	0.386	2	106.7713	0.907	3	106.6961	0.576	9	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2S)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2S)(C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,1|S<4>,2|C<4>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	106.7070	0.000	1	106.7070	0.000	1	106.6961	0.576	9	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]B[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]B[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{1|B<3>,1|C<3>,1|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2750	0.000	1	108.2750	0.000	1	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HO)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.1620	0.000	1	107.1620	0.000	1	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]CH)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]CH)(C[6]C[6]HH)(C[6]O[6]O)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.8770	0.000	1	108.8770	0.000	1	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3510	0.000	1	108.3510	0.000	1	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6,6]HH)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,5,6,6]HH)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	109.7430	0.000	1	109.7430	0.000	1	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.5670	0.000	1	106.5670	0.000	1	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]HH)(C[6]C[6]C)(H){1|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5270	0.194	2	108.5270	0.038	2	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(H)2{3|C<3>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.8910	0.000	1	105.8910	0.000	1	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.3990	0.000	1	105.3990	0.000	1	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]ClH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]ClH)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.5760	0.000	1	107.5760	0.000	1	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7370	0.963	2	107.6557	0.145	9	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6324	0.190	7	107.6557	0.145	9	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,2|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3450	0.081	2	108.3450	0.006	2	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.3930	0.000	1	107.3930	0.000	1	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.6330	0.000	1	105.6330	0.000	1	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2050	0.785	3	107.2050	0.616	3	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O[6]H)(H)2{1|O<2>,2|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.7290	0.000	1	106.7290	0.000	1	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CC)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CC)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	106.0420	0.000	1	106.0420	0.000	1	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]BrH)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]BrH)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	113.6920	0.000	1	113.6920	0.000	1	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.9670	0.000	1	108.9670	0.000	1	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.9350	0.000	1	108.9350	0.000	1	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.5480	0.000	1	105.5480	0.000	1	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|Cl<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.5940	0.000	1	105.8663	0.134	6	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.6945	0.086	4	105.8663	0.134	6	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.8260	0.000	1	105.8663	0.134	6	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.1695	0.217	4	106.0060	0.060	8	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.8425	0.148	4	106.0060	0.060	8	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.3240	0.554	3	106.3240	0.307	3	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.3630	0.000	1	105.3630	0.000	1	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]N)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]N)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|N<2>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.3335	0.045	2	106.3335	0.002	2	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|Cl<1>,1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.0510	0.000	1	106.9522	0.098	4	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.1335	0.078	2	106.9522	0.098	4	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.4910	0.000	1	106.9522	0.098	4	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|Br<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.3430	0.000	1	106.3430	0.000	1	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]ClH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|Cl<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]ClH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.4910	0.011	2	106.4910	0.000	2	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.9830	0.123	2	107.6643	0.312	3	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.0270	0.000	1	107.6643	0.312	3	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.1155	0.506	2	105.9280	0.233	3	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.5530	0.000	1	105.9280	0.233	3	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.2687	0.643	6	106.1794	0.400	7	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(H){3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.6440	0.000	1	106.1794	0.400	7	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2850	0.000	1	107.2850	0.000	1	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	110.6410	0.000	1	110.6410	0.000	1	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<2>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.0690	0.000	1	109.0690	0.000	1	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]N[6]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.7130	0.000	1	106.7130	0.000	1	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.2645	0.326	2	106.0573	0.182	3	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.6430	0.000	1	106.0573	0.182	3	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SiH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H){1|Si<4>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SiH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.0130	0.000	1	106.0130	0.000	1	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.6670	0.000	1	108.6035	0.180	4	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.8795	0.071	2	108.6035	0.180	4	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(H){3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.9880	0.000	1	108.6035	0.180	4	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.2438	0.499	6	108.9172	0.336	10	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5580	0.059	2	108.9172	0.336	10	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2965	0.332	2	108.9172	0.336	10	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]S)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]S)(H){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<1>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3260	0.000	1	108.3260	0.000	1	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	H(C[6,6]C[6,6]C[6]2)	108.5400	0.000	1	108.5400	0.000	1	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[6,6]C[6,6]C[6]2)	106.3800	0.000	1	106.3800	0.000	1	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.2130	0.000	2	106.2130	0.000	2	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]2)	107.2240	0.000	1	107.2900	0.097	5	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[6,6]C[6,6]C[6]2)	107.1873	0.327	3	107.2900	0.097	5	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H){3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6640	0.000	1	107.2900	0.097	5	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.7820	0.326	6	105.7820	0.106	6	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.6430	0.000	1	106.6430	0.000	1	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HO)(H)2{1|C<2>,1|H<1>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.5590	0.000	1	108.5590	0.000	1	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|O<1>}	H(C[6,6]C[6,6]C[6]2)	107.1615	0.392	2	107.4186	2.123	5	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|O<1>}	H(C[6,6]C[6,6]C[6]2)	109.9080	0.000	1	107.4186	2.123	5	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|S<2>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.4310	0.239	2	107.4186	2.123	5	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8610	0.000	1	107.8610	0.000	1	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2900	0.000	1	107.0075	0.051	4	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	106.7800	0.000	1	107.0075	0.051	4	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	106.9800	0.141	2	107.0075	0.051	4	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4810	0.000	2	107.1366	0.104	5	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9070	0.104	3	107.1366	0.104	5	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.9230	0.000	1	105.9550	7.501	11	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.4647	3.112	8	105.9550	7.501	11	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3780	0.000	1	105.9550	7.501	11	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4860	0.000	1	105.9550	7.501	11	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.8270	0.000	1	109.8270	0.000	1	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2{2|H<1>,3|C<4>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	104.2030	0.000	1	104.2030	0.000	1	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5850	0.171	2	108.0717	0.805	3	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0450	0.000	1	108.0717	0.805	3	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0743	1.582	3	107.2496	1.312	5	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5125	0.104	2	107.2496	1.312	5	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]N)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]N)(H){1|O<2>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0610	0.000	1	108.0610	0.000	1	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{1|Br<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.9350	0.000	1	106.9160	1.925	2	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8970	0.000	1	106.9160	1.925	2	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8610	0.000	1	107.0410	0.109	5	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.8880	0.171	2	107.0410	0.109	5	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.6070	0.000	1	107.0410	0.109	5	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<2>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<1>}	H(C[6,6]C[6,6]C[6]2)	106.9610	0.000	1	107.0410	0.109	5	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]H)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.3930	0.000	1	104.3930	0.000	1	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]O)(H){1|C<3>,1|S<4>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6050	0.000	1	106.6050	0.000	1	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.2305	0.182	2	107.2305	0.033	2	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)(H){4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6190	0.000	1	107.6190	0.000	1	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.6560	0.000	1	109.6560	0.000	1	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]O)(H){3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|N<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1285	0.644	2	107.1285	0.415	2	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9160	0.000	1	107.1760	0.135	2	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4360	0.000	1	107.1760	0.135	2	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	109.0360	0.000	1	109.0360	0.000	1	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6]HH)(C[6]O[6]O)(H){3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|O<2>}	H(C[6,6]C[6,6]C[6]2)	109.9410	0.000	1	109.9410	0.000	1	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.7090	0.000	1	108.7090	0.000	1	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|N<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.4970	0.000	1	109.4970	0.000	1	107.1593	2.229	171	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[3,6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<2>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[3,6,6]HH)(H)2{1|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	106.5460	0.000	1	106.5460	0.000	1	108.0701	1.397	45	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	107.7210	0.000	1	107.7210	0.000	1	108.0701	1.397	45	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.9770	0.000	1	108.9770	0.000	1	108.0701	1.397	45	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|O<1>,1|S<4>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.4600	0.000	1	109.4600	0.000	1	108.0701	1.397	45	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(N[6]C[6]P)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(N[6]C[6]P)(H){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(H)2{1|H<1>,1|P<4>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	106.2030	0.000	1	106.2030	0.000	1	108.0701	1.397	45	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]C)(H){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	104.4130	0.000	1	104.4130	0.000	1	108.0701	1.397	45	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	106.6865	0.788	2	106.6865	0.622	2	108.0701	1.397	45	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]ClH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|Cl<1>,1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]ClH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.2060	0.242	3	107.2060	0.059	3	108.0701	1.397	45	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<2>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	108.3310	0.000	1	108.3737	0.291	7	108.0701	1.397	45	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.6290	0.055	2	108.3737	0.291	7	108.0701	1.397	45	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	108.7567	0.119	4	108.3737	0.291	7	108.0701	1.397	45	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.6060	0.000	1	109.0790	0.555	2	108.0701	1.397	45	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,1|S<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.5520	0.000	1	109.0790	0.555	2	108.0701	1.397	45	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]HH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,6|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.7555	0.202	2	107.7555	0.041	2	108.0701	1.397	45	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]O)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]O)(H){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	106.3040	0.000	1	106.3040	0.000	1	108.0701	1.397	45	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]P)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]P)(H){2|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|P<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	106.9550	0.000	1	106.9550	0.000	1	108.0701	1.397	45	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]S[6]C)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]S[6]C)(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,5|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.1013	1.381	3	107.1013	1.906	3	108.0701	1.397	45	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.4917	0.086	4	108.4917	0.007	4	108.0701	1.397	45	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.9860	0.397	2	108.8385	0.304	11	108.0701	1.397	45	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.3630	0.000	1	108.8385	0.304	11	108.0701	1.397	45	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.4100	0.000	1	108.8385	0.304	11	108.0701	1.397	45	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.3070	0.000	1	108.8385	0.304	11	108.0701	1.397	45	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.4110	0.824	2	108.8385	0.304	11	108.0701	1.397	45	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.1480	0.000	1	108.8385	0.304	11	108.0701	1.397	45	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.0673	0.593	3	108.8385	0.304	11	108.0701	1.397	45	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|O<2>,1|S<4>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.4040	0.000	1	107.4040	0.000	1	108.0701	1.397	45	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.6995	0.614	2	109.6995	0.378	2	108.0701	1.397	45	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6,6]HH)(C[6]C[5a,6]HN)(C[6,6]C[6]2)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5,6,6]HH)(C[6]C[5a,6]HN)(C[6,6]C[6]2)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|N<4>,2|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	105.6540	0.000	1	105.6540	0.000	1	105.6540	0.000	1	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]CO)(C[6]C[6,6]HH)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]CO)(C[6]C[6,6]HH)(C[6,6]C[6]2)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)2(H)2{1|C<4>,1|H<1>,1|N<4>,2|O<2>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	114.3140	0.000	3	114.3140	0.000	3	114.3140	0.000	3	107.3703	2.403	320	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HO)(C[6]C[6]C)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HO)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[6,6]C[3x6]C[6]2)	106.9240	0.805	2	106.9240	0.648	2	106.9240	0.648	2	107.3955	2.103	37	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[3,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(OH)(H)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	106.4173	1.746	3	106.4173	3.048	3	106.4173	3.048	3	107.3955	2.103	37	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HO)(N[6]C[6]S)(H)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]O[6]HH)(OC)(H)	H(C[6,6]C[5,6,6]C[6]N[6])	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HO)(N[6]C[6]S)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]O[6]HH)(OC)(H){1|H<1>,1|O<2>,1|S<4>,2|C<4>}	H(C[6,6]C[5,6,6]C[6]N[6])	109.6935	0.152	2	109.6935	0.023	2	109.6935	0.023	2	107.3955	2.103	37	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[3,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(OH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.2560	0.000	1	106.2560	0.000	1	106.2560	0.000	1	107.3955	2.103	37	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[3,6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[3,6,6]HO)(C[6]C[6]O)(H)	C[6](C[3,6,6]C[3,5,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[3,6,6]HO)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[3,6,6]C[3,5,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(OH)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	109.0920	0.000	1	109.0920	0.000	1	109.0920	0.000	1	107.3955	2.103	37	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HO)(C[6]C[5,6]HO)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6,6]C[6]H)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[5,6]HO)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6,6]C[6]H)(OH)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.2820	0.000	1	108.2820	0.000	1	108.2820	0.000	1	107.3955	2.103	37	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(OC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7170	0.000	1	107.7170	0.000	1	107.0958	1.975	20	107.3955	2.103	37	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)(H){2|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.1140	0.000	1	106.1140	0.000	1	107.0958	1.975	20	107.3955	2.103	37	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.5230	0.000	1	106.5230	0.000	1	107.0958	1.975	20	107.3955	2.103	37	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HS)(C[6]C[6]HO)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HS)(C[6]C[6]HO)(C[6]C[6]O)(H){2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|O<1>,1|S<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.5920	0.000	1	109.5920	0.000	1	107.0958	1.975	20	107.3955	2.103	37	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	106.9020	0.000	1	106.9020	0.000	1	107.0958	1.975	20	107.3955	2.103	37	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	103.7300	0.000	1	104.3440	0.754	2	107.0958	1.975	20	107.3955	2.103	37	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.9580	0.000	1	104.3440	0.754	2	107.0958	1.975	20	107.3955	2.103	37	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]N)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]N)(H){2|H<1>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1970	0.000	1	107.1970	0.000	1	107.0958	1.975	20	107.3955	2.103	37	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]O)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){1|O<1>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.5505	0.163	2	107.5505	0.027	2	107.0958	1.975	20	107.3955	2.103	37	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OSi)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]O)(H){2|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OSi)(H){1|O<1>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.8590	0.000	1	106.8590	0.000	1	107.0958	1.975	20	107.3955	2.103	37	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]H)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2682	0.073	5	107.2682	0.005	5	107.0958	1.975	20	107.3955	2.103	37	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]O)(H){2|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|O<1>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.8670	0.000	1	105.8670	0.000	1	107.0958	1.975	20	107.3955	2.103	37	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]N[6]O)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>}	H(C[6,6]C[6,6]C[6]2)	106.2000	0.000	1	106.2000	0.000	1	107.0958	1.975	20	107.3955	2.103	37	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]C[6]O)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	109.4080	0.000	2	109.4080	0.000	2	107.0958	1.975	20	107.3955	2.103	37	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6]HO)(N[6]C[6,6a]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]O[6]H)(OH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6]HO)(N[6]C[6,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]O[6]H)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|P<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.4210	0.000	1	108.4210	0.000	1	108.4210	0.000	1	107.3955	2.103	37	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HO)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]HH)(OH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HO)(N[6]C[6]H)(H){2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]HH)(OH)(H){3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.4340	0.000	1	109.4340	0.000	1	108.1827	2.353	4	107.3955	2.103	37	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HO)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HO)(N[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.4600	0.000	1	108.4600	0.000	1	108.1827	2.353	4	107.3955	2.103	37	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HO)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HO)(N[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	105.9610	0.000	1	105.9610	0.000	1	108.1827	2.353	4	107.3955	2.103	37	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(N[6]C[6]S)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(N[6]C[6]S)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.8760	0.000	1	108.8760	0.000	1	108.1827	2.353	4	107.3955	2.103	37	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]CH)(C[6]C[6,6]HO)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6]C[6]H)2(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]CH)(C[6]C[6,6]HO)(C[6,6]C[6]2)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)2(OH)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.2245	0.344	2	107.2245	0.119	2	107.2245	0.119	2	107.3955	2.103	37	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]C[6]CH)(C[6]O[6]O)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(COO)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]C[6]CH)(C[6]O[6]O)(H){2|H<1>,4|C<3>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(COO)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.8760	0.000	1	107.8760	0.000	1	107.8760	0.000	1	107.6776	1.403	36	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(C[6]C[5,6,6]CH)(C[6]C[6]C)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6,6]C[6,6]C[6]H)(COO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]HH)(C[6]C[5,6,6]CH)(C[6]C[6]C)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6,6]C[6,6]C[6]H)(COO)(H){1|N<3>,3|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7530	0.000	1	107.7530	0.000	1	107.7530	0.000	1	107.6776	1.403	36	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(H){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0690	0.000	1	108.0690	0.000	1	107.8906	1.237	27	107.6776	1.403	36	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H){2|C<4>,2|H<1>,2|O<1>}	H(C[6,6]C[6,6]C[6]2)	108.4220	0.078	2	108.4220	0.006	2	107.8906	1.237	27	107.6776	1.403	36	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCH)(H){1|O<1>,1|S<4>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4280	0.000	1	106.4280	0.000	1	107.8906	1.237	27	107.6776	1.403	36	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]N[6]O)(H){1|S<4>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCO)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4380	0.000	1	108.4380	0.000	1	107.8906	1.237	27	107.6776	1.403	36	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]N[6]O)(H){1|S<4>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4990	0.031	2	108.4990	0.001	2	107.8906	1.237	27	107.6776	1.403	36	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]CH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C[6a]H)(COO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]CH)(C[6]O[6]O)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C[6a]H)(COO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	106.1140	0.000	1	106.1140	0.000	1	107.8906	1.237	27	107.6776	1.403	36	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H){1|Br<1>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.7510	0.000	1	109.0044	1.044	7	107.8906	1.237	27	107.6776	1.403	36	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H){1|Si<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3220	0.182	2	109.0044	1.044	7	107.8906	1.237	27	107.6776	1.403	36	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H){3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.1590	1.244	4	109.0044	1.044	7	107.8906	1.237	27	107.6776	1.403	36	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]O)(H){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCH)(H){1|O<1>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.6350	0.181	2	106.6350	0.033	2	107.8906	1.237	27	107.6776	1.403	36	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(CCH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(CCH)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.7380	0.000	1	106.7380	0.000	1	107.8906	1.237	27	107.6776	1.403	36	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1805	0.773	2	107.1805	0.597	2	107.8906	1.237	27	107.6776	1.403	36	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CNO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CNO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6640	0.530	2	107.6640	0.281	2	107.8906	1.237	27	107.6776	1.403	36	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]O[6]O)(H){1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2555	0.978	2	107.8553	0.959	3	107.8906	1.237	27	107.6776	1.403	36	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]O[6]O)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0550	0.000	1	107.8553	0.959	3	107.8906	1.237	27	107.6776	1.403	36	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(COO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]O[6]O)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(COO)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	106.9250	0.000	1	106.9250	0.000	1	107.8906	1.237	27	107.6776	1.403	36	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]H)(H){1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9370	0.000	1	106.9370	0.000	1	107.8906	1.237	27	107.6776	1.403	36	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]N)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]N)(H){1|O<1>,2|H<1>,6|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,3|H<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	106.1760	0.000	1	106.1760	0.000	1	106.9470	1.189	2	107.6776	1.403	36	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.7180	0.000	1	107.7180	0.000	1	106.9470	1.189	2	107.6776	1.403	36	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HN)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(NCH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HN)(C[6]C[6]C)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(NCH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.1960	0.156	2	105.1960	0.024	2	105.1960	0.024	2	107.6776	1.403	36	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:N[5]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]N[5]H)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]HH)(N[5]C[5]2)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]N[5]H)(N[6]C[6]C)(H){1|N<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]HH)(N[5]C[5]2)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	106.9940	0.000	1	106.9940	0.000	1	107.5375	0.591	2	107.6776	1.403	36	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:N[5]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]N[5]H)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]N[5]H)(N[6]C[6]C)(H){4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<3>,1|N<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.0810	0.000	1	108.0810	0.000	1	107.5375	0.591	2	107.6776	1.403	36	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]N[6]O)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.3580	0.000	1	108.3580	0.000	1	108.3580	0.000	1	107.6776	1.403	36	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HH)(CH3)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HH)(CH3)(H){1|C<3>,1|O<1>,3|C<4>}	H(C[6,6]C[3x6]C[6]2)	108.3170	0.000	1	108.3170	0.000	1	108.5380	0.052	4	107.5063	1.264	30	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H){1|O<1>,4|C<4>}	H(C[6,6]C[3x6]C[6]2)	108.6100	0.000	1	108.6100	0.000	1	108.5380	0.052	4	107.5063	1.264	30	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]C)(H){4|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6]2)	108.4000	0.000	1	108.4000	0.000	1	108.5380	0.052	4	107.5063	1.264	30	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(CCHH)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(CCHH)(H){1|O<1>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.8250	0.000	1	108.8250	0.000	1	108.5380	0.052	4	107.5063	1.264	30	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]CH)(N[6]C[6]S)(H)	C[6](C[6,6]C[3x6]N[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]CH)(N[6]C[6]S)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]N[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6]N[6])	107.4700	0.000	1	107.4700	0.000	1	107.4700	0.000	1	107.5063	1.264	30	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[5,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(C[6,6]C[6]2)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(CH3)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(CH3)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.4135	0.478	4	106.4135	0.229	4	106.4135	0.229	4	107.5063	1.264	30	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:B[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(B[6]O[6]O)(H)	C[6](C[6,6]C[6,6]B[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6,6]C[6,6]B[6]C[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(B[6]O[6]O)(H){1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]B[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]B[6]C[6])	106.5770	0.000	1	106.5770	0.000	1	106.5770	0.000	1	107.5063	1.264	30	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]CH)(C[6]C[6,6a]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]CH)(C[6]C[6,6a]O)(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(CH3)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.1980	0.000	1	107.1980	0.000	1	107.1980	0.000	1	107.5063	1.264	30	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.7020	0.000	1	108.6310	0.010	2	107.5867	1.512	18	107.5063	1.264	30	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H){1|N<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5600	0.000	1	108.6310	0.010	2	107.5867	1.512	18	107.5063	1.264	30	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.7160	0.000	2	105.7160	0.000	2	107.5867	1.512	18	107.5063	1.264	30	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H){3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.2975	0.080	2	109.2975	0.006	2	107.5867	1.512	18	107.5063	1.264	30	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4430	0.000	1	107.3188	0.047	6	107.5867	1.512	18	107.5063	1.264	30	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0450	0.000	1	107.3188	0.047	6	107.5867	1.512	18	107.5063	1.264	30	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5630	0.000	1	107.3188	0.047	6	107.5867	1.512	18	107.5063	1.264	30	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3415	0.258	2	107.3188	0.047	6	107.5867	1.512	18	107.5063	1.264	30	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1790	0.000	1	107.3188	0.047	6	107.5867	1.512	18	107.5063	1.264	30	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4420	0.000	1	108.4420	0.000	1	107.5867	1.512	18	107.5063	1.264	30	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3950	0.000	1	108.3950	0.000	1	107.5867	1.512	18	107.5063	1.264	30	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.3730	0.000	1	105.3730	0.000	1	107.5867	1.512	18	107.5063	1.264	30	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H){1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.1230	0.000	1	109.1230	0.000	1	107.5867	1.512	18	107.5063	1.264	30	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4300	0.000	1	107.0130	0.680	2	107.5867	1.512	18	107.5063	1.264	30	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]O)(H){1|N<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.5960	0.000	1	107.0130	0.680	2	107.5867	1.512	18	107.5063	1.264	30	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5]O[5]C)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|O<2>,4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5]O[5]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5780	0.000	1	107.5780	0.000	1	107.5780	0.000	1	107.5063	1.264	30	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]C[6]H)(C[6]C[5,6]CO)(C[6]O[6]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCHH)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,3x6]C[6]H)(C[6]C[5,6]CO)(C[6]O[6]O)(H){3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCHH)(OH){1|N<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.7180	0.000	1	106.7180	0.000	1	106.7180	0.000	1	105.9570	1.215	3	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]C)(H){2|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.6930	0.000	1	104.6930	0.000	1	105.5765	1.561	2	105.9570	1.215	3	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCCH)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]H)(H){1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCCH)(OH){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4600	0.000	1	106.4600	0.000	1	105.5765	1.561	2	105.9570	1.215	3	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CNO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CNO){1|O<1>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.2140	0.000	1	105.2140	0.000	1	106.5875	3.773	2	106.6120	1.888	3	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]N[6]O)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9610	0.000	1	107.9610	0.000	1	106.5875	3.773	2	106.6120	1.888	3	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:S-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]O[6]H)(C[6]C[6]CS)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(SC[6a]OO)(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5a,6]O[6]H)(C[6]C[6]CS)(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(SC[6a]OO)(COO){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6610	0.000	1	106.6610	0.000	1	106.6610	0.000	1	106.6120	1.888	3	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.0940	0.000	1	104.0940	0.000	1	104.7432	1.201	13	105.5172	3.061	17	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.2850	0.000	1	104.2002	0.227	4	104.7432	1.201	13	105.5172	3.061	17	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.8150	0.000	1	104.2002	0.227	4	104.7432	1.201	13	105.5172	3.061	17	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.0120	0.000	1	104.2002	0.227	4	104.7432	1.201	13	105.5172	3.061	17	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	103.6890	0.000	1	104.2002	0.227	4	104.7432	1.201	13	105.5172	3.061	17	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.3700	0.000	1	104.3700	0.000	1	104.7432	1.201	13	105.5172	3.061	17	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CC)(C[6]C[6]O)(H){2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|B<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8720	0.000	1	107.8720	0.000	1	104.7432	1.201	13	105.5172	3.061	17	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.1920	0.000	1	104.1920	0.000	1	104.7432	1.201	13	105.5172	3.061	17	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.0290	0.000	1	106.0290	0.000	1	104.7432	1.201	13	105.5172	3.061	17	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]H)(H){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.6860	0.000	1	104.6860	0.000	1	104.7432	1.201	13	105.5172	3.061	17	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.3460	0.000	1	104.4080	0.008	2	104.7432	1.201	13	105.5172	3.061	17	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O)(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.4700	0.000	1	104.4080	0.008	2	104.7432	1.201	13	105.5172	3.061	17	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O)(H){3|C<4>,3|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.8020	0.000	1	104.8020	0.000	1	104.7432	1.201	13	105.5172	3.061	17	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CC)(N[6]C[6]Co)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HN)(CH3)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CC)(N[6]C[6]Co)(H){1|Co<4>,1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HN)(CH3)2{1|Co<4>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.7020	0.000	1	108.7020	0.000	1	108.0325	0.492	4	105.5172	3.061	17	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CC)(N[6]C[6]Cr)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HN)(CH3)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CC)(N[6]C[6]Cr)(H){1|Cr<4>,1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HN)(CH3)2{1|Cr<4>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.1920	0.014	2	108.1920	0.000	2	108.0325	0.492	4	105.5172	3.061	17	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CC)(N[6]C[6]Ni)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HN)(CH3)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CC)(N[6]C[6]Ni)(H){1|Ni<4>,1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HN)(CH3)2{1|Ni<4>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.0440	0.000	1	107.0440	0.000	1	108.0325	0.492	4	105.5172	3.061	17	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[3x6]C[6]H)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,1|N<4>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[3x6]C[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6]2)	107.6030	0.000	1	107.6030	0.000	1	107.5123	0.243	17	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]H)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]H)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.5066	0.508	16	107.5066	0.258	16	107.5123	0.243	17	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6]N[6])	108.2670	0.000	1	108.2907	0.001	3	107.6870	0.492	20	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6]N[6])	108.3025	0.046	2	108.2907	0.001	3	107.6870	0.492	20	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CN)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|N<3>,2|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[3x6]C[6]N[6])	107.9930	0.000	1	107.9930	0.000	1	107.6870	0.492	20	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6]N[6])	107.9636	0.799	8	107.9636	0.638	8	107.6870	0.492	20	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CC)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CC)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	H(C[6,6]C[3x6]C[6]N[6])	106.8850	0.211	2	106.8850	0.044	2	107.6870	0.492	20	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6]N[6])	107.2248	0.357	5	107.2248	0.127	5	107.6870	0.492	20	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CO)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CO)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6,6]C[3x6]C[6]N[6])	107.2720	0.000	1	107.2720	0.000	1	107.6870	0.492	20	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[3,5]C[5,6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6,6]C[3,5])(C[6,6]C[5,6]C[6,6]H)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[3,5]C[5,6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H){1|C<2>,1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]C[3,5])(C[6,6]C[5,6]C[6,6]H)(H)2{2|C<3>,2|H<1>,6|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.5280	0.000	1	107.5280	0.000	1	107.5280	0.000	1	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5x6]-4:C[6]-4:N[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2	H(C[6,6]C[5x6]C[6]N[6])	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2{2|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[5x6]C[6]N[6])	107.8298	0.572	4	107.8298	0.327	4	107.8298	0.327	4	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]C)(C[6]C[5a,6]HH)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]C)(C[6]C[5a,6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2H)(H)2{1|N<2>,2|H<1>,2|N<3>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	107.0160	0.324	2	107.0160	0.105	2	107.7293	1.832	4	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[5a,6]HH)(H)	C[6](C[5a,6]C[5a,6,6]N[5a])(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[5a,6]HH)(H){1|N<2>,2|C<3>,4|H<1>,5|C<4>}	C[6](C[5a,6]C[5a,6,6]N[5a])(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	108.4425	1.832	2	108.4425	3.357	2	107.7293	1.832	4	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H)	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2{1|O<2>,2|C<3>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.3400	0.000	1	105.1044	0.106	9	105.2194	0.125	12	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H)	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2{1|O<2>,3|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	104.6110	0.000	1	105.1044	0.106	9	105.2194	0.125	12	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H)	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2{1|O<2>,2|C<3>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.2305	0.012	2	105.1044	0.106	9	105.2194	0.125	12	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H)	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2{2|C<3>,2|O<2>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.1437	0.208	3	105.1044	0.106	9	105.2194	0.125	12	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H)	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2{1|O<2>,3|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.0485	0.647	2	105.1044	0.106	9	105.2194	0.125	12	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.6585	0.037	2	105.5643	0.027	3	105.2194	0.125	12	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2{2|C<3>,2|O<2>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.3760	0.000	1	105.5643	0.027	3	105.2194	0.125	12	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	103.6090	0.000	1	103.6090	0.000	1	107.7764	3.346	11	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2{1|N<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	108.2870	0.000	1	108.1931	1.595	10	107.7764	3.346	11	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2{1|N<4>,1|O<1>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	109.3480	0.000	1	108.1931	1.595	10	107.7764	3.346	11	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){3|H<1>,5|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2{1|C<2>,1|N<3>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.2580	0.000	1	108.1931	1.595	10	107.7764	3.346	11	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){3|H<1>,5|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2{1|N<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	110.1300	0.000	1	108.1931	1.595	10	107.7764	3.346	11	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){4|H<1>,5|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2{1|N<4>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	108.1513	0.356	6	108.1931	1.595	10	107.7764	3.346	11	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6a]HH)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6a]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]2C[6])	106.9460	0.000	1	107.1623	0.130	4	107.1623	0.130	4	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6a]HH)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6a]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2{1|N<4>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]2C[6])	107.2343	0.404	3	107.1623	0.130	4	107.1623	0.130	4	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]2H)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.6340	0.000	1	106.6340	0.000	1	106.7641	0.086	11	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]2H)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.8763	0.265	3	106.8399	0.060	9	106.7641	0.086	11	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,3|O<2>,4|C<4>,4|H<1>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]2H)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.9207	0.252	4	106.8399	0.060	9	106.7641	0.086	11	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]2H)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.6235	0.170	2	106.8399	0.060	9	106.7641	0.086	11	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]2H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	106.2120	0.000	1	106.2120	0.000	1	106.7641	0.086	11	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(C[6,6]C[6]2O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(C[6,6]C[6]2O)(H){2|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,2|O<2>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	104.9880	0.000	1	104.9880	0.000	1	104.9880	0.000	1	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CH)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]CH)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|N<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3605	0.334	2	107.3605	0.112	2	106.9868	0.196	32	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,2|C<4>,5|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.0361	0.510	14	106.9202	0.156	28	106.9868	0.196	32	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.8044	0.186	14	106.9202	0.156	28	106.9868	0.196	32	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(C[6]C[6]CC)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2{2|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.9420	0.000	1	106.9420	0.000	1	106.9868	0.196	32	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1480	0.000	1	108.1480	0.000	1	106.9868	0.196	32	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.4820	0.000	1	107.2610	0.041	3	108.0809	0.765	24	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.1505	0.093	2	107.2610	0.041	3	108.0809	0.765	24	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.4620	0.000	1	106.4620	0.000	1	108.0809	0.765	24	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.9820	0.000	1	106.9820	0.000	1	108.0809	0.765	24	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(C[6]C[6,6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(C[6]C[6,6a]HH)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.9200	0.000	1	107.9200	0.000	1	108.0809	0.765	24	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3910	0.000	1	107.3910	0.000	1	108.0809	0.765	24	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.3930	0.000	1	107.1255	1.073	2	108.0809	0.765	24	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){4|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8580	0.000	1	107.1255	1.073	2	108.0809	0.765	24	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2410	0.000	1	107.2410	0.000	1	108.0809	0.765	24	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.3060	0.000	1	109.2430	0.003	3	108.0809	0.765	24	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H){3|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.2115	0.029	2	109.2430	0.003	3	108.0809	0.765	24	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HO)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.8700	0.000	1	108.8700	0.000	1	108.0809	0.765	24	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5600	0.000	1	108.5600	0.000	1	108.0809	0.765	24	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6a]C[6]2)(C[6]C[6,6a]HH)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6a]C[6]2)(C[6]C[6,6a]HH)2(H){1|C<4>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.1595	0.059	2	108.1595	0.003	2	108.0809	0.765	24	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[5,6]O[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]N[5,6]O[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H){1|H<1>,1|S<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,1|O<2>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.3030	0.010	2	108.3030	0.000	2	108.0809	0.765	24	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(C[6]C[6]ClH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(C[6]C[6]ClH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.7923	0.133	3	108.7923	0.018	3	108.0809	0.765	24	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4470	0.000	1	108.4470	0.000	1	108.0809	0.765	24	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H){1|H<1>,1|S<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,1|O<2>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	109.0040	0.000	1	109.0040	0.000	1	108.0809	0.765	24	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[5,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[5,6]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,5,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[5,6]HH)(C[6]C[6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](N[5,6]C[5,5,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4670	0.000	1	108.4670	0.000	1	108.4670	0.000	1	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6a]HH)(C[6]N[6]HH)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6a]HH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,1|N<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4311	0.505	17	107.4311	0.255	17	107.4311	0.255	17	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[5,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(N[6]C[6]CH)(H)	C[6](C[5,6]C[5,6,6a]C[5])(C[6,6]C[6,6]N[6]H)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(N[6]C[6]CH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6,6a]C[5])(C[6,6]C[6,6]N[6]H)(H)2{1|N<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	106.2910	0.000	1	106.2910	0.000	1	106.2910	0.000	1	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	108.6810	0.000	1	108.6810	0.000	1	108.6810	0.000	1	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,2|O<2>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.7460	0.000	1	104.8120	0.009	2	106.2053	2.820	4	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,2|O<2>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.8780	0.000	1	104.8120	0.009	2	106.2053	2.820	4	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|N<4>,5|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0130	0.000	1	107.5985	0.686	2	106.2053	2.820	4	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2{1|S<4>,2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1840	0.000	1	107.5985	0.686	2	106.2053	2.820	4	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.3740	0.522	2	108.1124	3.973	8	107.5492	2.436	21	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	110.2915	3.434	2	108.1124	3.973	8	107.5492	2.436	21	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.8920	0.057	4	108.1124	3.973	8	107.5492	2.436	21	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.7498	0.564	4	106.7009	1.608	8	107.5492	2.436	21	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6520	1.852	4	106.7009	1.608	8	107.5492	2.436	21	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7120	0.000	1	107.7120	0.000	1	107.5492	2.436	21	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2O)(C[6]C[6]HO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2O)(C[6]C[6]HO)(H){3|C<3>,3|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|H<1>,2|O<2>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.4340	0.000	1	108.4340	0.000	1	107.5492	2.436	21	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(C[6,6]O[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(C[6,6]O[6]2C)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>,3|O<2>}	H(C[6,6]C[6,6]C[6]2)	107.8360	0.000	1	107.8360	0.000	1	107.5492	2.436	21	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(C[6,6]O[6]2H)(C[6]C[6]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(C[6,6]O[6]2H)(C[6]C[6]CH)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0225	0.083	2	108.0225	0.007	2	107.5492	2.436	21	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)2(C[6,6]O[6]2C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)2(C[6,6]O[6]2C)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.7285	0.040	2	108.7285	0.002	2	108.6000	0.043	5	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(C[6,6]O[6]2H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(C[6,6]O[6]2H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3780	0.000	1	108.5143	0.057	3	108.6000	0.043	5	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(C[6,6]O[6]2H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(C[6,6]O[6]2H)(H){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|O<2>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.5825	0.293	2	108.5143	0.057	3	108.6000	0.043	5	107.3354	1.296	191	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]N)(C[6]C[6,6a]CH)(C[6]S[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]O[6]N)(C[6]C[6,6a]CH)(C[6]S[6]HH)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC)(H){1|N<3>,1|O<2>,1|S<2>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8150	0.000	1	107.8150	0.000	1	107.8150	0.000	1	108.4039	0.207	7	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3455	0.057	2	108.5863	0.176	3	108.5020	0.168	6	108.4039	0.207	7	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.0680	0.000	1	108.5863	0.176	3	108.5020	0.168	6	108.4039	0.207	7	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.9580	0.000	1	108.4177	0.222	3	108.5020	0.168	6	108.4039	0.207	7	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1475	0.078	2	108.4177	0.222	3	108.5020	0.168	6	108.4039	0.207	7	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CH)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(COO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]CH)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H){1|C<3>,2|N<3>,3|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(COO)(H){2|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.9680	0.134	2	107.9680	0.018	2	108.3306	0.135	5	108.2182	0.214	16	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[5,6]HO)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(COO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[5,6]HO)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(COO)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4710	0.000	1	108.4710	0.000	1	108.3306	0.135	5	108.2182	0.214	16	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CNO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CNO)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.8070	0.000	1	108.8070	0.000	1	108.3306	0.135	5	108.2182	0.214	16	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(COO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(COO)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4390	0.000	1	108.4390	0.000	1	108.3306	0.135	5	108.2182	0.214	16	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(C[6]C[6,6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(C[6]C[6,6a]HH)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9650	0.000	1	107.9650	0.000	1	107.9650	0.000	1	108.2182	0.214	16	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(H){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,5|H<1>,6|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.2720	0.000	1	108.2720	0.000	1	108.5454	0.095	5	108.2182	0.214	16	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]C[6a]H)(C[6]O[6]HO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]C[6a]H)(C[6]O[6]HO)(H){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){3|O<2>,5|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3755	0.112	2	108.3755	0.013	2	108.5454	0.095	5	108.2182	0.214	16	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]N)(C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]O[6]N)(C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,5|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.8520	0.221	2	108.8520	0.049	2	108.5454	0.095	5	108.2182	0.214	16	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:N-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]O[6])(C[6]C[6,6a]HN)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(NC[6a]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]O[6])(C[6]C[6,6a]HN)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(NC[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1040	0.000	1	108.1040	0.000	1	107.8835	0.097	2	108.2182	0.214	16	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:N-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6a]HN)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(NC[6a]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6a]HN)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(NC[6a]H)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6630	0.000	1	107.6630	0.000	1	107.8835	0.097	2	108.2182	0.214	16	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.1490	0.000	2	108.1490	0.000	2	108.1490	0.000	2	108.2182	0.214	16	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,4|H<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.0820	0.000	1	107.0820	0.000	1	107.0820	0.000	1	108.2182	0.214	16	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8890	0.000	1	107.2767	0.130	3	107.5423	0.318	9	107.6188	0.275	12	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6020	0.000	1	107.2767	0.130	3	107.5423	0.318	9	107.6188	0.275	12	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3390	0.000	1	107.2767	0.130	3	107.5423	0.318	9	107.6188	0.275	12	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7065	0.604	4	107.7065	0.365	4	107.5423	0.318	9	107.6188	0.275	12	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]CC)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CHHO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]CC)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CHHO)(H){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.9560	0.000	1	107.6125	0.862	2	107.5423	0.318	9	107.6188	0.275	12	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]CC)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CHHO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]CC)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CHHO)(H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.2690	0.000	1	107.6125	0.862	2	107.5423	0.318	9	107.6188	0.275	12	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]CH)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CHHN)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]CH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CHHN)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8820	0.000	1	107.8820	0.000	1	107.8820	0.000	1	107.6188	0.275	12	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6a]CH)(C[6]N[6]HH)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CHHO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6a]CH)(C[6]N[6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CHHO)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1980	0.000	1	108.1980	0.000	1	108.1980	0.000	1	107.6188	0.275	12	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2H)(C[6]N[6]HH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2H)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CH3)(H){1|N<3>,1|N<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4650	0.000	1	107.4650	0.000	1	107.4650	0.000	1	107.6188	0.275	12	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CO)(C[6]C[6]HO)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CO)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(OH){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8750	0.000	1	106.8750	0.000	1	106.8750	0.000	1	106.8750	0.000	1	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:4:4:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	N[5a,6]-3:C[6,6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]N[5a,6]CC)(C[6]C[6]HH)(H)	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6]C[3x6]C[6]H)(CH3)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]N[5a,6]CC)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6]C[3x6]C[6]H)(CH3)2{2|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6]2)	108.1250	0.000	1	107.2387	0.604	3	107.2387	0.604	3	104.5948	19.037	21	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:4:4:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	N[5a,6]-3:C[6,6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]N[5a,6]CC)(C[6]C[6]HH)(H)	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6]C[3x6]C[6]H)(CH3)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]N[5a,6]CC)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6]C[3x6]C[6]H)(CH3)2{2|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6]2)	106.7955	0.172	2	107.2387	0.604	3	107.2387	0.604	3	104.5948	19.037	21	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:4:4:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5,6,6]C[6]H)(CH3)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5,6,6]C[6]H)(CH3)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	105.6340	0.000	1	105.6340	0.000	1	105.6340	0.000	1	104.5948	19.037	21	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,2|C<4>,5|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|N<2>,1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.7940	0.000	1	105.2340	0.387	2	105.0912	0.120	5	104.5948	19.037	21	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|N<2>,1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.6740	0.000	1	105.2340	0.387	2	105.0912	0.120	5	104.5948	19.037	21	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]H)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|C<3>,1|N<2>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.9960	0.108	3	104.9960	0.012	3	105.0912	0.120	5	104.5948	19.037	21	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4910	0.000	1	106.3953	0.007	3	103.6404	31.349	12	104.5948	19.037	21	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2{2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.3475	0.028	2	106.3953	0.007	3	103.6404	31.349	12	104.5948	19.037	21	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6,6a]CC)(C[6]O[6]HH)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6,6a]CC)(C[6]O[6]HH)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|N<3>,1|O<2>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.4207	0.169	3	107.4207	0.029	3	103.6404	31.349	12	104.5948	19.037	21	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|N<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.5840	0.000	1	106.0045	0.354	2	103.6404	31.349	12	104.5948	19.037	21	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4250	0.000	1	106.0045	0.354	2	103.6404	31.349	12	104.5948	19.037	21	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6260	0.000	1	106.6260	0.000	1	103.6404	31.349	12	104.5948	19.037	21	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|C<4>,1|S<2>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	94.6902	3.122	2	94.5338	4.946	3	103.6404	31.349	12	104.5948	19.037	21	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|S<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	94.2211	0.000	1	94.5338	4.946	3	103.6404	31.349	12	104.5948	19.037	21	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6])(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.4470	0.635	2	107.5100	0.214	3	107.4228	0.131	5	107.7690	1.209	50	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6])(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6])(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.6360	0.000	1	107.5100	0.214	3	107.4228	0.131	5	107.7690	1.209	50	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HN)(C[6]O[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6])(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HN)(C[6]O[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6])(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.2920	0.198	2	107.2920	0.039	2	107.4228	0.131	5	107.7690	1.209	50	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[4x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6](C[6,6]C[4x6]C[6]H)(O[6]C[3x6])(H)2	H(C[6,6]C[4x6]C[6]2)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6]C[4x6]C[6]H)(O[6]C[3x6])(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[4x6]C[6]2)	108.8090	0.000	1	108.8090	0.000	1	108.8090	0.000	1	107.7690	1.209	50	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(O[6]C[6])(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H){1|N<2>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	105.1110	0.000	1	105.1110	0.000	1	105.1110	0.000	1	107.7690	1.209	50	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]HH)(C[6]O[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(O[6]C[6])(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]HH)(C[6]O[6]HH)(H){1|C<4>,4|C<3>}	C[6](C[6,6]C[5,6,6]C[6]H)(O[6]C[6])(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	109.6835	0.043	2	109.6835	0.002	2	109.6835	0.002	2	107.7690	1.209	50	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[5x6]C[3x6]2C[6,6])(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6](C[6,6]C[5x6]C[6]H)(O[6]C[6])(H)2	H(C[6,6]C[5x6]C[6]2)	C[6,6](C[5x6]C[3x6]2C[6,6])(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[5x6]C[6]H)(O[6]C[6])(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[5x6]C[6]2)	103.2060	0.000	1	103.2060	0.000	1	103.2060	0.000	1	107.7690	1.209	50	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(H)2{1|N<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	108.2600	0.000	1	107.6200	0.335	3	107.6200	0.335	3	107.7690	1.209	50	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]2C[6])	107.1330	0.000	1	107.6200	0.335	3	107.6200	0.335	3	107.7690	1.209	50	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]2C[6])	107.4670	0.000	1	107.6200	0.335	3	107.6200	0.335	3	107.7690	1.209	50	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(H){6|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.0070	0.000	1	108.0070	0.000	1	107.8336	0.620	28	107.7690	1.209	50	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]O[6]CC)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]O[6]CC)(C[6]O[6]HH)(H){4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2{1|O<2>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.8920	0.117	2	105.8920	0.014	2	107.8336	0.620	28	107.7690	1.209	50	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(H){2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.9810	0.320	4	107.9810	0.103	4	107.8336	0.620	28	107.7690	1.209	50	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(H){6|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2{1|O<2>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.3210	0.304	2	108.3210	0.092	2	107.8336	0.620	28	107.7690	1.209	50	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]2H)(C[6]O[6]CC)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]2H)(C[6]O[6]CC)(C[6]O[6]HH)(H){4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	106.3130	0.000	1	106.3130	0.000	1	107.8336	0.620	28	107.7690	1.209	50	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]2H)(C[6]O[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]2H)(C[6]O[6]HH)2(H){4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2{1|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5285	0.100	4	108.5285	0.010	4	107.8336	0.620	28	107.7690	1.209	50	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CC)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CC)(C[6]O[6]HH)(H){4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.2415	0.112	2	108.2415	0.013	2	107.8336	0.620	28	107.7690	1.209	50	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]CC)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]CC)(C[6]O[6]HH)(H){1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.2120	0.000	1	108.2120	0.000	1	107.8336	0.620	28	107.7690	1.209	50	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6,6a]CC)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6,6a]CC)(C[6]O[6]HH)(H){1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.3947	0.187	3	107.3947	0.035	3	107.8336	0.620	28	107.7690	1.209	50	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(H){1|H<1>,6|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.3120	0.000	1	108.3120	0.000	1	107.8336	0.620	28	107.7690	1.209	50	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]O[6]HH)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1743	0.136	3	108.1743	0.018	3	107.8336	0.620	28	107.7690	1.209	50	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.8800	0.000	1	107.9320	0.760	3	107.8336	0.620	28	107.7690	1.209	50	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7510	0.000	1	107.9320	0.760	3	107.8336	0.620	28	107.7690	1.209	50	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H){2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1650	0.000	1	107.9320	0.760	3	107.8336	0.620	28	107.7690	1.209	50	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5,6])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5,6])(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0470	0.000	1	107.0470	0.000	1	107.8336	0.620	28	107.7690	1.209	50	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:S[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]O[6]CC)(C[6]S[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[5a,6])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]O[6]CC)(C[6]S[6]HH)(H){4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[5a,6])(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.5340	0.000	1	108.5340	0.000	1	107.8923	0.398	7	107.7690	1.209	50	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:S[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CH)(C[6]N[6]HH)(C[6]S[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]CH)(C[6]N[6]HH)(C[6]S[6]HH)(H){1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6])(H)2{1|C<2>,1|C<4>,1|N<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3235	0.247	2	107.3235	0.061	2	107.8923	0.398	7	107.7690	1.209	50	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:S[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6a]C[6]H)(C[6]S[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6,6a])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6a]C[6]H)(C[6]S[6]HH)(H){2|H<1>,6|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6,6a])(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.4170	0.000	1	107.4170	0.000	1	107.8923	0.398	7	107.7690	1.209	50	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:S[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]N)(C[6]C[6,6a]CH)(C[6]S[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6,6a])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]O[6]N)(C[6]C[6,6a]CH)(C[6]S[6]HH)(H){4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6,6a])(H)2{1|C<2>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.6080	0.000	1	107.6080	0.000	1	107.8923	0.398	7	107.7690	1.209	50	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:S[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]S[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]S[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6])(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5200	0.416	2	108.5200	0.173	2	107.8923	0.398	7	107.7690	1.209	50	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]HH)(C[6]O[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]HH)(C[6]O[6]HH)2(H){1|H<1>,2|C<4>}	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2{1|C<4>,1|O<2>,6|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.6975	0.016	2	108.6975	0.000	2	108.6975	0.000	2	107.7690	1.209	50	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]O[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]O[6]HO)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(OH)(H){2|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	103.1535	0.138	2	103.1535	0.019	2	105.9613	5.528	6	105.9613	5.528	6	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]C[6a]H)(C[6]O[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]C[6a]H)(C[6]O[6]HO)(H){6|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(OH)(H){1|O<2>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.3540	0.112	2	108.3540	0.012	2	105.9613	5.528	6	105.9613	5.528	6	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]CH)(C[6]O[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(OC[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]CH)(C[6]O[6]HO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(OC[6])(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.3765	0.213	2	106.3765	0.045	2	105.9613	5.528	6	105.9613	5.528	6	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]O[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]O[6]CH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCH)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.5990	0.000	1	108.5990	0.000	1	108.2030	0.171	3	108.2030	0.171	3	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]CH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCC)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2350	0.000	1	108.2350	0.000	1	108.2030	0.171	3	108.2030	0.171	3	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]CH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7750	0.000	1	107.7750	0.000	1	108.2030	0.171	3	108.2030	0.171	3	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:3:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]O[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(COO)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]O[6]CC)(H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(COO)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4250	0.000	1	107.4250	0.000	1	107.4250	0.000	1	107.4250	0.000	1	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCCH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]CH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCCH)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2730	0.000	1	108.2730	0.000	1	107.7961	0.406	14	107.7961	0.406	14	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]N[5,6]HH)(C[6]O[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]N[5,6]HH)(C[6]O[6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1472	0.212	4	107.1472	0.045	4	107.7961	0.406	14	107.7961	0.406	14	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]O[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]O[6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.9100	0.000	1	108.9100	0.000	1	107.7961	0.406	14	107.7961	0.406	14	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]O[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]O[6]CH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5670	0.000	1	108.5670	0.000	1	107.7961	0.406	14	107.7961	0.406	14	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]O[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CC[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]O[6]CH)(H){3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CC[6]HH)(H){2|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3020	0.000	1	107.3020	0.000	1	107.7961	0.406	14	107.7961	0.406	14	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[3]C[6]H)(C[6]O[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CC[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[3]C[6]H)(C[6]O[6]CH)(H){4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CC[6]HH)(H){1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.1430	0.000	1	107.1430	0.000	1	107.7961	0.406	14	107.7961	0.406	14	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5]C[6]H)(C[6]O[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CC[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5]C[6]H)(C[6]O[6]CH)(H){4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CC[6]HH)(H){1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.5820	0.000	1	107.5820	0.000	1	107.7961	0.406	14	107.7961	0.406	14	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(C[6]O[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(C[6]O[6]CH)(H){3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1640	0.188	2	108.1640	0.035	2	107.7961	0.406	14	107.7961	0.406	14	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]N[6]CH)(C[6]O[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]N[6]CH)(C[6]O[6]CH)(H){1|S<4>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H){1|N<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.2260	0.016	2	108.2260	0.000	2	107.7961	0.406	14	107.7961	0.406	14	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6a])(CCHH)(CH3)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6a])(CCHH)(CH3){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.7975	0.211	2	107.7975	0.045	2	108.0205	0.129	4	106.7732	1.215	39	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6a])(CH3)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6a])(CH3)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.5110	0.000	1	108.5110	0.000	1	108.0205	0.129	4	106.7732	1.215	39	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6])(CCHH)(CH3)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6])(CCHH)(CH3){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.9760	0.000	1	107.9760	0.000	1	108.0205	0.129	4	106.7732	1.215	39	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(O[6]C[6,6a])(CCHH)(CH3)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(O[6]C[6,6a])(CCHH)(CH3){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	107.0790	0.000	1	107.0790	0.000	1	105.8760	1.155	3	106.7732	1.215	39	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[6,6a]C[5,6]O[5])(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(O[6]C[6,6a])(CH3)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[6,6a]C[5,6]O[5])(C[6]C[6]HH)(C[6]O[6]CC)(H){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(O[6]C[6,6a])(CH3)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	105.2745	0.373	2	105.2745	0.139	2	105.8760	1.155	3	106.7732	1.215	39	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6,6a]O[6]H)(C[6]O[6]CC)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(O[6]Si[6])(CH3)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6,6a]O[6]H)(C[6]O[6]CC)(H){1|Si<4>,1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6]C[5,6]C[6,6]H)(O[6]Si[6])(CH3)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.8180	0.000	1	105.8180	0.000	1	105.8180	0.000	1	106.7732	1.215	39	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6,6a]C[6]H)(C[6,6]C[6,6a]O[6]H)(C[6]O[6]CC)(H)	C[6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(CH3)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6,6a]C[6]H)(C[6,6]C[6,6a]O[6]H)(C[6]O[6]CC)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(CH3)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]2C[6])	106.7780	0.000	1	106.7780	0.000	1	106.2470	0.640	3	106.7732	1.215	39	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]O[6]CC)(H)	C[6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(CH3)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]O[6]CC)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(CH3)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]2C[6])	105.9815	0.926	2	105.9815	0.857	2	106.2470	0.640	3	106.7732	1.215	39	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-2:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6])(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]CC)(H){2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6])(CH3)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4380	0.000	1	107.4380	0.000	1	107.4380	0.000	1	106.7732	1.215	39	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6])(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6])(CH3)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.7130	0.000	1	105.7130	0.000	1	106.7573	1.206	27	106.7732	1.215	39	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5a,6])(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5a,6])(CH3)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4570	0.000	1	106.4570	0.000	1	106.7573	1.206	27	106.7732	1.215	39	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]O[6]CC)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5a,6])(CCHH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]O[6]CC)(C[6]O[6]HH)(H){4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5a,6])(CCHH)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.8710	0.000	1	105.8710	0.000	1	106.7573	1.206	27	106.7732	1.215	39	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]O[6]CC)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5a,6])(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]O[6]CC)(C[6]O[6]HH)(H){4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5a,6])(CH3)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]2)	105.9690	0.000	1	105.9690	0.000	1	106.7573	1.206	27	106.7732	1.215	39	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]O[6]CC)(C[6]S[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]O[6]CC)(C[6]S[6]HH)(H){4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2{1|S<2>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5540	0.000	1	108.5540	0.000	1	106.7573	1.206	27	106.7732	1.215	39	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1530	0.000	1	108.1530	0.000	1	106.7573	1.206	27	106.7732	1.215	39	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]2H)(C[6]O[6]CC)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]2H)(C[6]O[6]CC)(C[6]O[6]HH)(H){4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2{1|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.3530	0.000	1	106.3530	0.000	1	106.7573	1.206	27	106.7732	1.215	39	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CC)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6])(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CC)(C[6]O[6]HH)(H){4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6])(CH3)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2410	0.136	2	108.2410	0.018	2	106.7573	1.206	27	106.7732	1.215	39	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6650	0.000	1	106.3387	1.154	13	106.7573	1.206	27	106.7732	1.215	39	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8925	0.021	2	106.3387	1.154	13	106.7573	1.206	27	106.7732	1.215	39	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.7070	0.000	1	106.3387	1.154	13	106.7573	1.206	27	106.7732	1.215	39	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.7590	0.436	2	106.3387	1.154	13	106.7573	1.206	27	106.7732	1.215	39	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.6148	1.803	4	106.3387	1.154	13	106.7573	1.206	27	106.7732	1.215	39	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4230	0.536	3	106.3387	1.154	13	106.7573	1.206	27	106.7732	1.215	39	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]CC)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]CC)(C[6]O[6]HH)(H){1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)2{1|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2660	0.000	1	108.2660	0.000	1	106.7573	1.206	27	106.7732	1.215	39	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4510	0.000	1	107.0520	0.120	3	106.7573	1.206	27	106.7732	1.215	39	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8525	0.042	2	107.0520	0.120	3	106.7573	1.206	27	106.7732	1.215	39	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)2{3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0700	0.000	1	107.0700	0.000	1	106.7573	1.206	27	106.7732	1.215	39	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]O[6]O)(H)2	H(C[6,6]C[3,6,6]C[6,6]C[6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]O[6]O)(H)2{1|O<2>,5|C<4>}	H(C[6,6]C[3,6,6]C[6,6]C[6])	106.9673	0.287	3	106.9673	0.083	3	106.9673	0.083	3	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[3,6,6]C[6]2)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[3,6,6]C[6]2)	106.2700	0.263	2	106.2700	0.069	2	106.2700	0.069	2	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[3,6]C[6,6]C[6])	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[3,6]C[6,6]C[6])	107.0020	0.000	1	107.0020	0.000	1	107.0020	0.000	1	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3,6]C[3,6]C[3]C)(C[6,6]C[3x6]HH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[3,6]C[6,6]H)(N[6]C[6,6]C)(H)2	H(C[6,6]C[3,6]C[6,6]C[6])	C[6,6](C[3,6]C[3,6]C[3]C)(C[6,6]C[3x6]HH)(C[6]N[6]HH)(H){2|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3,6]C[6,6]H)(N[6]C[6,6]C)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[3,6]C[6,6]C[6])	108.6090	0.000	1	108.6090	0.000	1	108.6090	0.000	1	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[3,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3,6]C[3,6]O[3]H)(C[6]N[6,6]HH)(H)	C[6](C[6,6]C[3,6]C[3x6]H)(N[6,6]C[6,6]C[6])(H)2	H(C[6,6]C[3,6]C[3x6]C[6])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3,6]C[3,6]O[3]H)(C[6]N[6,6]HH)(H){1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[3,6]C[3x6]H)(N[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[3,6]C[3x6]C[6])	108.2410	0.000	1	108.2410	0.000	1	108.2410	0.000	1	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]2)(H)2	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|H<1>,5|C<4>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]2)(H)2{3|C<4>,3|N<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	107.6240	0.000	1	107.6240	0.000	1	107.6240	0.000	1	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]N[6]H)(C[6]N[6]HH)(H)	C[6](C[6,6]C[3x6]C[6,6]H)(N[6]C[6,6]C)(H)2	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]N[6]H)(C[6]N[6]HH)(H){1|N<2>,1|N<3>,2|C<3>,5|C<4>}	C[6](C[6,6]C[3x6]C[6,6]H)(N[6]C[6,6]C)(H)2{1|C<4>,2|C<3>,2|N<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	108.5020	0.000	1	108.5020	0.000	1	108.5020	0.000	1	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6,6]HH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6,6]HH)(C[6]N[6]HH)(H){1|C<3>,1|S<4>,2|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6]2)	107.5570	0.000	1	107.5570	0.000	1	107.5605	0.256	4	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N[6])(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|N<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N[6])(H)2{1|C<3>,3|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6]2)	107.2235	0.284	2	107.2235	0.080	2	107.5605	0.256	4	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N[6])(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|N<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N[6])(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6]2)	108.2380	0.000	1	108.2380	0.000	1	107.5605	0.256	4	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6]2)	106.0705	0.333	4	106.0705	0.111	4	107.4258	1.450	34	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6]2)	108.5660	0.000	1	108.5660	0.000	1	107.4258	1.450	34	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2{3|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.8110	0.000	1	107.5795	0.652	6	107.4258	1.450	34	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2{3|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.3332	0.600	5	107.5795	0.652	6	107.4258	1.450	34	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.6990	0.000	1	107.6990	0.000	1	107.4258	1.450	34	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[4x6]C[6]H)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.9130	0.007	2	107.9130	0.000	2	107.4258	1.450	34	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]O)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[4x6]C[6]O)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6]2)	107.9480	0.000	1	107.9480	0.000	1	107.4258	1.450	34	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]O[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[4x6]O[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6]2)	108.7780	0.000	1	108.7780	0.000	1	107.4258	1.450	34	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]O)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]O)(H)2{1|Cl<1>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6]2)	106.5240	0.000	1	107.3885	1.495	2	107.4258	1.450	34	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]O)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]O)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6]2)	108.2530	0.000	1	107.3885	1.495	2	107.4258	1.450	34	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	H(C[6,6]C[3x6]C[6]2)	108.3710	0.000	1	107.8470	0.362	3	107.4258	1.450	34	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<4>,1|O<2>,2|C<3>,2|C<4>}	H(C[6,6]C[3x6]C[6]2)	107.1900	0.000	1	107.8470	0.362	3	107.4258	1.450	34	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.9800	0.000	1	107.8470	0.362	3	107.4258	1.450	34	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.3403	0.130	3	108.3403	0.017	3	107.4258	1.450	34	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.4315	0.586	2	107.4315	0.344	2	107.4258	1.450	34	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(H)2{1|O<2>,5|C<4>}	H(C[6,6]C[3x6]C[6]2)	103.9075	0.517	2	103.9075	0.267	2	107.4258	1.450	34	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,3|O<2>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6]2)	108.4330	0.000	1	108.4330	0.000	1	107.4258	1.450	34	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]2)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]2)(H)2{2|N<3>,3|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.9540	0.000	1	107.9540	0.000	1	107.4258	1.450	34	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]C)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]C)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.8130	0.056	3	107.8130	0.003	3	107.4258	1.450	34	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]2)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|H<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]2)(H)2{2|C<4>,3|N<3>,5|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.0580	0.000	1	108.0580	0.000	1	107.4258	1.450	34	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|N<4>,1|O<1>,4|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.0390	0.000	1	107.9212	0.600	19	107.9212	0.600	19	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.6445	0.022	2	107.9212	0.600	19	107.9212	0.600	19	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.1050	0.000	1	107.9212	0.600	19	107.9212	0.600	19	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,4|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.7030	0.260	5	107.9212	0.600	19	107.9212	0.600	19	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|N<3>,4|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.5645	0.468	6	107.9212	0.600	19	107.9212	0.600	19	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|Cl<1>,1|C<3>,1|N<4>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.3800	0.000	1	107.9212	0.600	19	107.9212	0.600	19	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|N<4>,1|O<1>,4|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.7180	0.000	1	107.9212	0.600	19	107.9212	0.600	19	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|H<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.0440	0.000	1	107.9212	0.600	19	107.9212	0.600	19	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|N<3>,4|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6]2)	109.0250	0.000	1	107.9212	0.600	19	107.9212	0.600	19	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6,6]HH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(N[6]C[6,6]S)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6,6]HH)(C[6]N[6]HH)(H){1|C<3>,1|S<4>,2|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(N[6]C[6,6]S)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6]2)	107.5800	0.000	1	107.5800	0.000	1	107.5800	0.000	1	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[4,5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[4,5,6,6]C[4,6]N[4,5]N[5,6])(C[6]C[6,6a]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[4,5,6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[4,5,6,6]C[6]2)	C[6,6](C[4,5,6,6]C[4,6]N[4,5]N[5,6])(C[6]C[6,6a]CO)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6]C[4,5,6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|N<3>}	H(C[6,6]C[4,5,6,6]C[6]2)	108.1850	0.000	1	108.1850	0.000	1	108.1850	0.000	1	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[4,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]N[4,5]C[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]C)(H)2	H(C[6,6]C[4,6,6]C[6]2)	C[6,6](C[4,6,6]C[4,6]N[4,5]C[6])(C[6]C[6]HH)2(H){1|B<4>,1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]C)(H)2{1|N<4>,3|C<4>,3|H<1>}	H(C[6,6]C[4,6,6]C[6]2)	107.8290	0.000	1	107.8290	0.000	1	107.8880	0.017	3	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[4,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]N[4,6]C[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]C)(H)2	H(C[6,6]C[4,6,6]C[6]2)	C[6,6](C[4,6,6]C[4,6]N[4,6]C[6])(C[6]C[6]HH)2(H){1|B<4>,1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]C)(H)2{1|N<4>,3|C<4>,3|H<1>}	H(C[6,6]C[4,6,6]C[6]2)	107.9175	0.168	2	107.9175	0.028	2	107.8880	0.017	3	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[4,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[4,6]C[4,6]C[4]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[4,6]C[6,6]H)(C[6]C[6,6]O)(H)2	H(C[6,6]C[4,6]C[6,6]C[6])	C[6,6](C[4,6]C[4,6]C[4]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[4,6]C[6,6]H)(C[6]C[6,6]O)(H)2{8|C<4>}	H(C[6,6]C[4,6]C[6,6]C[6])	104.8480	0.000	1	104.8480	0.000	1	104.8480	0.000	1	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[4x6]C[6,6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[4x6]C[6,6]C[6])	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,8|H<1>}	C[6](C[6,6]C[4x6]C[6,6]H)(C[6]C[6]H)(H)2{7|C<4>}	H(C[6,6]C[4x6]C[6,6]C[6])	105.4210	0.000	1	105.4210	0.000	1	105.4210	0.000	1	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[5,3x6]C[6]H)(N[6]C[5,5,6]C)(H)2	H(C[6,6]C[5,3x6]C[6]2)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,3x6]C[6]H)(N[6]C[5,5,6]C)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[5,3x6]C[6]2)	107.8533	0.120	6	107.8533	0.014	6	107.8533	0.014	6	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[5,5,6,6]C[6,6]C[6])	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[5,5,6,6]C[6,6]C[6])	105.6350	0.495	2	105.6350	0.245	2	106.5043	2.390	3	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,5,6,6]C[5,5,6]O[5,6]2)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[5,5,6,6]C[6,6]C[6])	C[6,6](C[5,5,6,6]C[5,5,6]O[5,6]2)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,7|C<4>}	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[6,6]C[5,5,6,6]C[6,6]C[6])	108.2430	0.000	1	108.2430	0.000	1	106.5043	2.390	3	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,5,6]C[6,6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[5,5,6]C[6,6]C[6])	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<4>,2|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[5,5,6]C[6,6]H)(C[6]C[6]O)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[5,5,6]C[6,6]C[6])	107.8340	0.000	1	107.8340	0.000	1	107.8340	0.000	1	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[5,6,6]C[5,6]C[6])	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|H<1>,6|C<4>}	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	H(C[6,6]C[5,6,6]C[5,6]C[6])	107.6740	0.000	1	107.6740	0.000	1	107.6740	0.000	1	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]O)(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<1>,4|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]O)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	105.6723	0.195	3	105.6785	0.025	4	106.1467	0.389	7	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]O)(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,2|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]O)(H)2{1|H<1>,3|C<4>,4|C<3>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	105.6970	0.000	1	105.6785	0.025	4	106.1467	0.389	7	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]C)(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	106.5905	0.135	2	106.5905	0.018	2	106.1467	0.389	7	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]O[6]O)(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]O[6]O)(H)2{1|O<2>,5|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	107.1320	0.000	1	107.1320	0.000	1	106.1467	0.389	7	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]HH)(C[6]O[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]HH)(C[6]O[6]HH)(H){1|C<4>,4|C<3>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|N<3>,1|O<2>,3|C<3>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	109.6530	0.088	2	109.6530	0.008	2	109.6530	0.008	2	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]H)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]H)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	105.3120	0.000	1	105.3120	0.000	1	107.1296	0.972	19	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	107.1160	0.052	2	107.1160	0.003	2	107.1296	0.972	19	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	107.6400	0.000	1	107.6400	0.000	1	107.1296	0.972	19	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]N[5]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]C)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6,6]N[5]C)(C[6]C[6]HH)2(H){1|C<3>,1|H<1>,1|O<1>,1|S<4>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]C)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	108.5510	0.000	1	108.5510	0.000	1	107.1296	0.972	19	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]N[5]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6,6]N[5]C)(C[6]C[6]HH)2(H){1|C<3>,1|H<1>,1|O<1>,1|S<4>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	108.5870	0.000	1	108.5870	0.000	1	107.1296	0.972	19	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	107.4870	0.000	1	107.4235	0.008	2	107.1296	0.972	19	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2{2|H<1>,5|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	107.3600	0.000	1	107.4235	0.008	2	107.1296	0.972	19	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2{3|C<4>,5|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	107.0950	0.000	1	107.1110	0.000	3	107.1296	0.972	19	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2{3|C<4>,5|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	107.1190	0.010	2	107.1110	0.000	3	107.1296	0.972	19	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	105.8520	0.126	2	105.8520	0.016	2	107.1296	0.972	19	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]O)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,2|O<1>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]O)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	107.4150	0.170	2	106.9642	1.230	4	107.1296	0.972	19	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]O)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H){1|C<3>,2|O<1>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]O)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	105.3200	0.000	1	106.9642	1.230	4	107.1296	0.972	19	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]O)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,2|N<3>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]O)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	107.7070	0.000	1	106.9642	1.230	4	107.1296	0.972	19	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6,6]C[5,6,6]C[6]2)	108.6670	0.000	1	108.6670	0.000	1	107.1296	0.972	19	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)2(H){1|O<2>,3|C<3>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	106.7330	0.000	1	106.7330	0.000	1	107.1296	0.972	19	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[5,6,6]C)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[5,6,6]C)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	108.1730	0.000	1	108.1730	0.000	1	108.3978	0.078	5	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6a]C[6,6a]C[5,6])(C[6]N[6]HH)2(H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6,6a]H)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6a]C[6,6a]C[5,6])(C[6]N[6]HH)2(H){1|C<4>,1|H<1>,1|S<4>,5|C<3>}	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6,6a]H)(H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[6,6]C[5,6,6]C[6]2)	108.6970	0.000	1	108.6970	0.000	1	108.3978	0.078	5	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6a]C[6,6a]C[5,6])(C[6]N[6]HH)2(H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]S)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6a]C[6,6a]C[5,6])(C[6]N[6]HH)2(H){1|C<4>,1|H<1>,1|S<4>,5|C<3>}	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]S)(H)2{1|N<3>,3|C<3>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	108.6350	0.000	1	108.6350	0.000	1	108.3978	0.078	5	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]N[6]HH)2(H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]C)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]N[6]HH)2(H){6|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]C)(H)2{1|N<4>,3|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	108.2420	0.262	2	108.2420	0.068	2	108.3978	0.078	5	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.0600	0.000	1	109.0600	0.000	1	108.5931	1.042	182	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]H)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]H)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.0385	0.220	2	105.0385	0.048	2	108.5931	1.042	182	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.2760	0.078	3	105.2755	0.016	10	108.5931	1.042	182	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.2850	0.000	1	105.2755	0.016	10	108.5931	1.042	182	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.1827	0.037	3	105.2755	0.016	10	108.5931	1.042	182	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.5750	0.000	1	105.2755	0.016	10	108.5931	1.042	182	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.2595	0.111	2	105.2755	0.016	10	108.5931	1.042	182	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,5,6]O)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,5,6]O)(H)2{2|H<1>,6|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.3400	0.000	1	108.3400	0.000	1	108.5931	1.042	182	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]C)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.0130	0.000	1	108.8590	0.047	2	108.5931	1.042	182	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]C)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){4|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.7050	0.000	1	108.8590	0.047	2	108.5931	1.042	182	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.4660	0.000	1	108.8883	0.199	142	108.5931	1.042	182	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.7296	0.142	5	108.8883	0.199	142	108.5931	1.042	182	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.8707	0.435	96	108.8883	0.199	142	108.5931	1.042	182	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.7490	0.000	1	108.8883	0.199	142	108.5931	1.042	182	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.3473	0.813	3	108.8883	0.199	142	108.5931	1.042	182	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.0219	0.229	13	108.8883	0.199	142	108.5931	1.042	182	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.4470	0.000	1	108.8883	0.199	142	108.5931	1.042	182	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.1321	0.303	22	108.8883	0.199	142	108.5931	1.042	182	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]N)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|N<2>,4|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]N)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.5880	0.000	1	108.4670	0.060	3	108.5931	1.042	182	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]N)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|N<2>,4|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]N)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.4065	0.312	2	108.4670	0.060	3	108.5931	1.042	182	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.1205	0.349	4	108.6567	0.228	13	108.5931	1.042	182	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.8070	0.509	2	108.6567	0.228	13	108.5931	1.042	182	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.6650	0.000	1	108.6567	0.228	13	108.5931	1.042	182	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.2960	0.292	6	108.6567	0.228	13	108.5931	1.042	182	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(H)2{2|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.3930	0.000	1	108.3930	0.000	1	108.5931	1.042	182	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.9440	0.000	1	106.9440	0.000	1	108.5931	1.042	182	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5a,6]S[5]2)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]N[6]O)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5a,6]S[5]2)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|N<3>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]N[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>,2|S<2>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.7615	0.046	2	107.7615	0.002	2	108.5931	1.042	182	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]C)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]C)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.4880	0.000	1	107.4880	0.000	1	108.5931	1.042	182	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]H)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]H)(H)2{1|C<2>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.5125	0.104	2	108.5125	0.011	2	108.5931	1.042	182	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	110.5460	0.000	1	110.5460	0.000	1	108.5931	1.042	182	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]N[6,6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(N[6,6]C[6,6]C[6])(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]N[6,6]HH)(H){1|O<2>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(N[6,6]C[6,6]C[6])(H)2{5|H<1>,6|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.6763	0.621	3	107.6763	0.385	3	107.6763	0.385	3	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]O[5,6]C[6a]C[5])(C[6,6]C[6,6a]C[6]H)(C[6]N[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(N[6]C[6,6a]S)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]O[5,6]C[6a]C[5])(C[6,6]C[6,6a]C[6]H)(C[6]N[6]HH)(H){1|C<4>,1|O<2>,1|S<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(N[6]C[6,6a]S)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.1380	0.000	1	107.1380	0.000	1	107.1380	0.000	1	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:C[5a,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[3x6]C[6,6]2H)(C[6]C[5a,6]HH)(H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[5a,6]C[5a,6]O[5a])(H)2	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[3x6]C[6,6]2H)(C[6]C[5a,6]HH)(H){1|C<3>,1|N<3>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[5a,6]C[5a,6]O[5a])(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[3x6]C[6,6]C[6])	107.1500	0.000	1	107.1500	0.000	1	107.1500	0.000	1	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5a,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2H)(C[6]C[5a,6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[5a,6]C[5a,6]O[5a])(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2H)(C[6]C[5a,6]HH)(H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[5a,6]C[5a,6]O[5a])(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	107.7690	0.000	1	107.7690	0.000	1	107.7690	0.000	1	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]C)(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2C)(C[6]C[6]HH)(H){2|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]C)(H)2{1|C<3>,7|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	104.9530	0.000	1	104.9530	0.000	1	104.9530	0.000	1	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]H)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]H)(H)2{1|C<4>,1|H<1>,2|O<2>,3|C<3>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.8665	0.163	2	107.8665	0.027	2	107.6107	0.210	3	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H){2|O<1>,3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2{2|C<3>,2|O<2>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.0990	0.000	1	107.0990	0.000	1	107.6107	0.210	3	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]C)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]C)(H)2{3|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.4600	0.000	1	105.4600	0.000	1	105.6568	2.668	80	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]H)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.3990	0.000	1	104.3990	0.000	1	105.6568	2.668	80	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]N)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|N<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]N)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	105.8280	0.000	1	105.8280	0.000	1	105.6568	2.668	80	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	105.8990	0.000	1	106.4461	0.660	8	105.6568	2.668	80	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.0975	0.189	2	106.4461	0.660	8	105.6568	2.668	80	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	107.6860	0.000	1	106.4461	0.660	8	105.6568	2.668	80	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.6893	0.950	3	106.4461	0.660	8	105.6568	2.668	80	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|O<1>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.7210	0.000	1	106.4461	0.660	8	105.6568	2.668	80	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,2|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.6250	0.000	1	105.6250	0.000	1	105.6568	2.668	80	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.4930	0.000	1	106.4930	0.000	1	105.6568	2.668	80	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(H)2{1|C<3>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	105.5820	0.000	1	105.5820	0.000	1	105.6568	2.668	80	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2{7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.2150	0.000	1	106.7500	5.673	8	105.6568	2.668	80	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2{7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.2080	0.000	1	106.7500	5.673	8	105.6568	2.668	80	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	106.1510	0.000	1	106.7500	5.673	8	105.6568	2.668	80	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2{3|C<3>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	104.1110	0.000	1	106.7500	5.673	8	105.6568	2.668	80	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	108.9740	0.785	2	106.7500	5.673	8	105.6568	2.668	80	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	108.6835	1.230	2	106.7500	5.673	8	105.6568	2.668	80	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.5975	0.029	2	106.3158	1.556	5	105.6568	2.668	80	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]O)(H)2{2|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.0620	0.000	1	106.3158	1.556	5	105.6568	2.668	80	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|O<1>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	107.6610	0.000	2	106.3158	1.556	5	105.6568	2.668	80	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	106.3400	0.000	1	106.4820	0.040	2	105.6568	2.668	80	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	106.6240	0.000	1	106.4820	0.040	2	105.6568	2.668	80	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]C)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]C)(H)2{3|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.4030	0.000	1	105.2445	0.050	2	105.6568	2.668	80	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]C)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]C)(H)2{1|C<3>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	105.0860	0.000	1	105.2445	0.050	2	105.6568	2.668	80	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	103.5630	2.249	3	104.7636	0.578	33	105.6568	2.668	80	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2{7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.8603	0.390	20	104.7636	0.578	33	105.6568	2.668	80	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2{7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.9304	0.283	10	104.7636	0.578	33	105.6568	2.668	80	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|O<1>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.5073	0.119	3	104.5073	0.014	3	105.6568	2.668	80	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]N[6]O)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,2|O<1>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	107.0026	0.360	5	107.0026	0.129	5	105.6568	2.668	80	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]O[6]O)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]O[6]O)(H)2{1|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	107.7115	1.206	2	106.8440	2.984	3	105.6568	2.668	80	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]O[6]O)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]O[6]O)(H)2{1|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.1090	0.000	1	106.8440	2.984	3	105.6568	2.668	80	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	108.5490	0.000	1	108.2890	0.140	4	105.6568	2.668	80	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	108.1855	0.573	2	108.2890	0.140	4	105.6568	2.668	80	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	108.2360	0.000	1	108.2890	0.140	4	105.6568	2.668	80	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]O[6]O)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,3|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]O[6]O)(H)2{1|O<2>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	99.1291	0.000	1	99.1291	0.000	1	105.6568	2.668	80	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]N[6]C)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(N[6]C[6]H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]N[6]C)(C[6]N[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(N[6]C[6]H)(H)2{2|N<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.4970	0.000	1	105.4970	0.000	1	106.7160	2.972	2	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(N[6]C[6]C)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(N[6]C[6]C)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	107.9350	0.000	1	107.9350	0.000	1	106.7160	2.972	2	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]N[5])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]N[5])(H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.1223	0.343	4	107.1223	0.118	4	106.4172	0.994	8	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2{1|C<3>,1|H<1>,2|O<2>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.0390	0.000	1	107.0390	0.000	1	106.4172	0.994	8	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CO)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2{1|C<3>,3|O<2>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.0060	0.000	1	105.2700	0.140	3	106.4172	0.994	8	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CO)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2{3|C<3>,3|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.1060	0.000	1	105.2700	0.140	3	106.4172	0.994	8	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CO)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2{2|C<3>,2|O<2>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.6980	0.000	1	105.2700	0.140	3	106.4172	0.994	8	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6,6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3240	0.000	1	108.3240	0.000	1	107.8425	0.125	6	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.1240	0.000	1	107.7212	0.112	4	107.8425	0.125	6	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.5870	0.243	3	107.7212	0.112	4	107.8425	0.125	6	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]O[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]O[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)2{1|O<1>,2|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8460	0.000	1	107.8460	0.000	1	107.8425	0.125	6	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6,6a]2)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6,6a]2)(H)2{2|C<3>,2|O<2>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.0720	0.225	2	105.0088	0.038	6	105.0088	0.038	6	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6,6a]2)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H){1|C<4>,1|I<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6,6a]2)(H)2{2|C<3>,2|O<2>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.8455	0.114	2	105.0088	0.038	6	105.0088	0.038	6	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6,6a]2)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6,6a]2)(H)2{2|C<3>,2|O<2>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.2610	0.000	1	105.0088	0.038	6	105.0088	0.038	6	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6,6a]2)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6,6a]2)(H)2{2|C<3>,2|O<2>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.9570	0.000	1	105.0088	0.038	6	105.0088	0.038	6	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:Br-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]BrH)(C[6]C[6]BrH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(Br)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]BrH)(C[6]C[6]BrH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(Br)(H){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	112.4210	0.000	1	112.4210	0.000	1	109.1573	7.989	3	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:Br-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]BrH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(Br)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]BrH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(Br)(H){1|Br<1>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.5255	0.022	2	107.5255	0.000	2	109.1573	7.989	3	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:Cl-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(Cl)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(Cl)(H){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3385	0.343	2	107.3385	0.118	2	107.3385	0.118	2	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6,6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6,6]O)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.4610	0.000	1	104.4610	0.000	1	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.2590	0.000	1	105.2590	0.000	1	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]O)(H)2{8|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.3200	0.000	1	104.3200	0.000	1	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.1350	0.000	1	108.1350	0.000	1	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0650	0.000	1	108.0650	0.000	1	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6,6]CH)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,5,6,6]CH)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]O)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.6180	0.000	1	108.6180	0.000	1	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.4502	0.306	4	104.7121	0.156	9	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)2{7|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.2315	0.351	2	104.7121	0.156	9	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.7245	0.177	2	104.7121	0.156	9	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)2{7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.6960	0.000	1	104.7121	0.156	9	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.6020	0.000	1	104.6495	0.030	6	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.6590	0.193	5	104.6495	0.030	6	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{7|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.2750	0.000	1	105.2750	0.000	1	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.7270	0.188	2	105.7270	0.035	2	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.9430	0.000	1	105.9430	0.000	1	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.9360	0.144	2	107.9360	0.021	2	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.4800	0.000	1	107.4800	0.000	1	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3930	0.000	1	108.3930	0.000	1	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,1|O<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.3640	0.000	1	106.3640	0.000	1	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.2210	0.000	1	108.2210	0.000	1	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2760	0.153	2	108.2760	0.023	2	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3065	0.177	2	108.3065	0.032	2	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1745	0.026	2	107.1745	0.001	2	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.6437	0.265	9	104.8423	0.128	34	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.8323	0.443	9	104.8423	0.128	34	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.2360	0.000	1	104.8423	0.128	34	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.7521	0.337	7	104.8423	0.128	34	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.4220	0.000	1	104.8423	0.128	34	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{7|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.0600	0.345	2	104.8423	0.128	34	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.0620	0.123	2	104.8423	0.128	34	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{7|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.0055	0.132	2	104.8423	0.128	34	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.1770	0.000	1	104.8423	0.128	34	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.4990	0.000	1	105.6776	1.829	18	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.1300	0.160	3	105.6776	1.829	18	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.0205	0.060	2	105.6776	1.829	18	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.7660	3.147	2	105.6776	1.829	18	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{2|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.1110	0.000	1	105.6776	1.829	18	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.0360	0.000	1	105.6776	1.829	18	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{3|C<4>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	106.5300	0.543	2	105.6776	1.829	18	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.4167	0.860	3	105.6776	1.829	18	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|O<2>,2|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.4545	0.087	2	105.6776	1.829	18	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|Si<4>,1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{3|C<3>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.3680	0.000	1	105.6776	1.829	18	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2{6|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.0640	0.000	1	105.0640	0.000	1	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|C<2>,1|C<3>,1|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.3420	0.000	2	106.9472	1.484	5	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	109.1240	0.000	1	106.9472	1.484	5	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.4640	0.000	2	106.9472	1.484	5	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|O<2>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.8415	0.073	2	105.8415	0.005	2	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,1|O<2>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.6953	0.182	4	104.6953	0.033	4	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.3090	0.000	1	107.3090	0.000	1	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.7650	0.000	1	107.1790	0.687	2	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.5930	0.000	1	107.1790	0.687	2	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.8660	0.000	1	106.9020	0.579	13	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.0088	0.465	5	106.9020	0.579	13	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|Si<4>,1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.9120	0.000	1	106.9020	0.579	13	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.0704	0.388	5	106.9020	0.579	13	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.5520	0.000	1	106.9020	0.579	13	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.7710	0.000	1	106.7710	0.000	1	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Cl)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Cl)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.1630	0.180	2	107.1630	0.032	2	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.5285	0.450	2	106.5285	0.203	2	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.1170	0.000	1	106.4680	0.246	2	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|N<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8190	0.000	1	106.4680	0.246	2	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.5480	0.594	2	106.7661	3.173	29	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.0320	0.000	1	106.7661	3.173	29	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.3230	0.000	1	106.7661	3.173	29	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|N<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.5900	0.000	1	106.7661	3.173	29	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.1490	0.069	2	106.7661	3.173	29	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4225	1.748	17	106.7661	3.173	29	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5392	2.249	5	106.7661	3.173	29	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2{2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.8870	0.000	1	106.8870	0.000	1	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.1605	0.129	2	108.1605	0.017	2	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.9320	0.000	1	107.9320	0.000	1	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.8430	0.000	1	107.8430	0.000	1	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4993	1.003	3	108.4993	1.006	3	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]CH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.2500	0.000	1	108.2500	0.000	1	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2100	0.141	2	107.5722	0.272	6	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5610	0.335	2	107.5722	0.272	6	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9455	0.829	2	107.5722	0.272	6	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6,6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6,6]O)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.1737	0.286	3	108.1737	0.082	3	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]B[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]B[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|B<4>,1|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1745	0.012	2	108.1745	0.000	2	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7860	0.000	1	107.7860	0.000	1	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1970	0.000	1	108.1970	0.000	1	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5350	0.000	1	108.5350	0.000	1	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|S<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|N<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.4130	0.000	1	107.4130	0.000	1	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]CC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|N<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.8050	0.000	1	107.8050	0.000	1	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.1710	0.000	1	108.1710	0.000	1	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.7730	0.000	1	108.7730	0.000	1	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	111.3930	3.493	2	111.3930	12.202	2	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2{2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	111.6470	1.302	2	111.6470	1.696	2	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.8090	0.000	1	107.4945	3.456	2	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.1800	0.000	1	107.4945	3.456	2	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6])(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.6925	0.029	2	108.6925	0.001	2	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2{2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.7950	0.000	1	108.7950	0.000	1	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3330	0.000	1	107.3330	0.000	1	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|O<2>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.8735	0.146	2	107.8735	0.021	2	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.0280	0.000	1	107.0280	0.000	1	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]H)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.8620	0.000	1	104.8620	0.000	1	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.6615	0.027	4	104.9661	0.478	10	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.6797	0.472	3	104.9661	0.478	10	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2{3|C<3>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.6620	0.000	1	104.9661	0.478	10	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2{3|C<4>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	106.6060	0.000	1	104.9661	0.478	10	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2{3|C<3>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.7080	0.000	1	104.9661	0.478	10	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.5310	0.000	1	106.5310	0.000	1	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.0285	0.063	2	108.0285	0.004	2	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)(C[6]C[6]SS)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)(C[6]C[6]SS)(H){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|S<4>}	H(C[6,6]C[6,6]C[6]2)	103.5390	0.000	1	103.5390	0.000	1	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4840	0.000	1	107.4840	0.000	1	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.1170	0.000	1	105.3702	0.497	6	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.7690	0.126	2	105.3702	0.497	6	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.2160	0.000	1	105.3702	0.497	6	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{7|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.1750	0.604	2	105.3702	0.497	6	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.5650	0.000	1	104.8225	0.133	2	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.0800	0.000	1	104.8225	0.133	2	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.4410	0.055	2	108.0733	1.201	3	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|O<1>,1|O<2>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	109.3380	0.000	1	108.0733	1.201	3	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.8940	0.000	1	107.1990	0.186	2	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.5040	0.000	1	107.1990	0.186	2	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.5240	0.000	1	106.8430	0.204	2	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.1620	0.000	1	106.8430	0.204	2	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.8850	0.000	1	106.8240	0.582	6	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6180	0.000	1	106.8240	0.582	6	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5490	0.000	1	106.8240	0.582	6	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.2790	0.136	2	106.8240	0.582	6	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){2|C<4>,2|O<1>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3340	0.000	1	106.8240	0.582	6	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8950	0.000	1	107.8950	0.000	1	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7370	0.000	1	107.7370	0.000	1	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<2>,1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.1280	0.000	1	107.2270	1.624	2	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.3260	0.000	1	107.2270	1.624	2	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<2>,1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.8670	0.000	1	108.7964	0.159	7	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.8583	0.620	3	108.7964	0.159	7	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.7110	0.270	3	108.7964	0.159	7	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7930	0.000	1	107.7930	0.000	1	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.7570	0.000	1	109.7570	0.000	1	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]CH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1930	0.000	1	108.1930	0.000	1	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.8750	0.000	1	107.9103	0.799	3	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7460	0.000	1	107.9103	0.799	3	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H){2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1100	0.000	1	107.9103	0.799	3	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7115	0.114	2	107.7115	0.013	2	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.7250	0.000	1	107.4750	1.125	2	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.2250	0.000	1	107.4750	1.125	2	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8680	0.000	1	107.5345	0.250	11	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9090	0.000	1	107.5345	0.250	11	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4670	0.000	1	107.5345	0.250	11	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7330	0.324	2	107.5345	0.250	11	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.6050	0.427	2	107.5345	0.250	11	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7398	0.323	4	107.5345	0.250	11	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6])(H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7110	0.000	1	107.7110	0.000	1	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6770	0.000	1	106.9623	2.120	3	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2{3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5400	0.000	1	106.9623	2.120	3	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2{3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.6700	0.000	1	106.9623	2.120	3	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6580	0.000	1	107.6580	0.000	1	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3760	0.000	1	107.3760	0.000	1	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6a]C[6]O[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6a]C[6]O[6])(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4580	0.000	1	108.4580	0.000	1	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.9565	0.103	2	108.9565	0.011	2	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]O[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]O[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2{2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7660	0.000	1	107.7660	0.000	1	106.6395	2.798	272	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[5,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]N[5,6]HH)(C[6]O[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6]C[5])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]N[5,6]HH)(C[6]O[6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6]C[5])(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1470	0.246	4	107.1470	0.061	4	107.1470	0.061	4	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<4>,1|N<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0130	0.000	1	106.0607	7.226	3	106.4183	3.418	8	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(C[6]N[6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<4>,1|N<3>,1|S<1>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	103.0260	0.000	1	106.0607	7.226	3	106.4183	3.418	8	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(C[6]N[6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1430	0.000	1	106.0607	7.226	3	106.4183	3.418	8	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3240	0.091	2	107.2875	0.095	4	106.4183	3.418	8	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6190	0.000	1	107.2875	0.095	4	106.4183	3.418	8	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8830	0.000	1	107.2875	0.095	4	106.4183	3.418	8	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]O[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]O[6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.0140	0.000	1	104.0140	0.000	1	106.4183	3.418	8	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[3,4,6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[4,6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[3,4,6]C)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0340	0.000	1	107.0340	0.000	1	107.8202	0.824	48	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[4,6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[4,6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[4,6]C)(H)2{3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.2630	0.000	1	105.2630	0.000	1	107.8202	0.824	48	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[4,6]S)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[4,6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[4,6]S)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3915	0.117	2	107.3915	0.014	2	107.8202	0.824	48	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CH)(C[6]N[6]HH)(C[6]S[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]CH)(C[6]N[6]HH)(C[6]S[6]HH)(H){1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|S<2>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3095	0.213	2	107.3095	0.045	2	107.8202	0.824	48	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CO)(C[6]N[6]HH)(C[6]S[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]CO)(C[6]N[6]HH)(C[6]S[6]HH)(H){1|H<1>,2|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|O<2>,1|S<4>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1570	0.028	2	107.1570	0.001	2	107.8202	0.824	48	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9600	0.000	1	107.9600	0.000	1	107.8202	0.824	48	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2{1|O<1>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6017	0.295	3	107.6017	0.087	3	107.8202	0.824	48	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(C[6]N[6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7625	0.629	2	107.7625	0.395	2	107.8202	0.824	48	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6a]CH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6a]CH)(C[6]N[6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2230	0.000	1	108.2230	0.000	1	107.8202	0.824	48	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]N[6]HH)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3800	0.000	1	107.3800	0.000	1	107.8202	0.824	48	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)(C[6]S[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)(C[6]S[6]HH)(H){1|H<1>,1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|S<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	110.6515	0.091	2	110.6515	0.008	2	107.8202	0.824	48	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3622	0.387	5	108.0441	0.632	13	107.8202	0.824	48	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.9660	0.000	1	108.0441	0.632	13	107.8202	0.824	48	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H){1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0627	0.029	3	108.0441	0.632	13	107.8202	0.824	48	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H){1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|N<4>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4230	0.318	2	108.0441	0.632	13	107.8202	0.824	48	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H){2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3810	0.195	2	108.0441	0.632	13	107.8202	0.824	48	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HN)(C[6]N[6]HH)(C[6]S[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HN)(C[6]N[6]HH)(C[6]S[6]HH)(H){1|H<1>,2|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|S<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3690	0.178	2	107.3690	0.032	2	107.8202	0.824	48	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HO)(C[6]N[6]HH)(C[6]S[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HO)(C[6]N[6]HH)(C[6]S[6]HH)(H){1|H<1>,2|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,1|S<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4200	0.407	2	108.4200	0.166	2	107.8202	0.824	48	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]N[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]OO)(C[6]N[6]HH)2(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4095	0.189	4	107.4095	0.036	4	107.8202	0.824	48	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]N[6]HH)(H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]C)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.8470	0.000	1	107.8470	0.000	1	107.8202	0.824	48	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]S)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]S)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.3735	0.243	2	108.3735	0.059	2	107.8202	0.824	48	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]HH)(H){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2445	0.326	2	107.2445	0.106	2	107.8202	0.824	48	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]O[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]O[6]CC)(H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4080	0.000	1	107.4080	0.000	1	107.8202	0.824	48	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]O[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]O[6]CH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5920	0.000	1	108.5920	0.000	1	107.8202	0.824	48	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6450	0.033	2	107.6450	0.001	2	107.8202	0.824	48	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:S[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)(C[6]S[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)(C[6]S[6]HH)(H){1|H<1>,1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6]O)(H)2{1|C<4>,1|N<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.5675	1.097	2	106.5675	1.203	2	106.5675	1.203	2	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:Si[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(Si[6]O[6]CC)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]Si[6]H)(N[6]C[6]S)(H)2	H(C[6,6]C[6,6]Si[6]C[6])	C[6,6](C[6,6]C[6,6]HH)(Si[6]O[6]CC)(C[6]N[6]HH)(H){1|Si<4>,1|C<3>,1|C<4>,1|S<4>}	C[6](C[6,6]C[6,6]Si[6]H)(N[6]C[6]S)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]Si[6]C[6])	107.5230	0.000	1	107.2417	0.066	3	107.2417	0.066	3	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:Si[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(Si[6]O[6]CC)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]Si[6]H)(N[6]C[6]S)(H)2	H(C[6,6]C[6,6]Si[6]C[6])	C[6,6](C[6,6]C[6,6]HH)(Si[6]O[6]CC)(C[6]N[6]HH)(H){1|Si<4>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6,6]C[6,6]Si[6]H)(N[6]C[6]S)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]Si[6]C[6])	107.1010	0.116	2	107.2417	0.066	3	107.2417	0.066	3	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:Cl-1:Cl-1:	C[6,6]-4:	C[6,6](C[6]C[5,5,6]ClH)(C[6,6]C[6,6]HH)(C[6]C[6]Cl2)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(Cl)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5,5,6]ClH)(C[6,6]C[6,6]HH)(C[6]C[6]Cl2)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(Cl)2{1|Cl<1>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7780	0.000	1	107.7780	0.000	1	107.7780	0.000	1	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[5]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.2410	0.000	1	106.2410	0.000	1	106.2410	0.000	1	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]N[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]N[6,6]HH)(H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2710	0.000	1	108.2710	0.000	1	108.2710	0.000	1	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.7210	0.000	1	107.7210	0.000	1	107.7210	0.000	1	107.2266	2.783	758	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	106.8290	0.000	1	106.8290	0.000	1	106.8290	0.000	1	107.2212	2.779	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(OH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(OH)(H){2|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.8370	0.311	2	108.1137	0.278	3	108.1137	0.278	3	107.2212	2.779	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(OH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(OH)(H){2|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.6670	0.000	1	108.1137	0.278	3	108.1137	0.278	3	107.2212	2.779	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6a]N[5,6]O)(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6a]N[5,6]O)(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H){1|C<4>,1|S<4>,2|H<1>,6|C<3>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>,5|C<3>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.4830	0.000	1	107.4830	0.000	1	107.4830	0.000	1	107.2212	2.779	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[3,6,6]O)(OH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|O<1>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[3,6,6]O)(OH)(H){8|C<4>}	H(C[6,6]C[6,6]2C[6])	104.1840	0.000	1	104.1840	0.000	1	106.1660	2.869	8	107.2212	2.779	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(OH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(OH)(H){1|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	107.8465	0.849	2	107.8465	0.721	2	106.1660	2.869	8	107.2212	2.779	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(OH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(OH)(H){7|C<4>}	H(C[6,6]C[6,6]2C[6])	108.5360	0.000	1	108.5360	0.000	1	106.1660	2.869	8	107.2212	2.779	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(OC)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(OC)(H){7|C<4>}	H(C[6,6]C[6,6]2C[6])	105.5940	0.226	2	105.5940	0.051	2	106.1660	2.869	8	107.2212	2.779	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(OH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(OH)(H){1|C<3>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	105.0510	0.000	1	104.8635	0.070	2	106.1660	2.869	8	107.2212	2.779	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(OH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(OH)(H){1|C<3>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.6760	0.000	1	104.8635	0.070	2	106.1660	2.869	8	107.2212	2.779	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(CN)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(CN)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.8170	0.000	1	108.8170	0.000	1	108.8170	0.000	1	107.2212	2.779	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(OC)(H){3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.3835	0.296	2	105.3835	0.088	2	105.7381	4.412	13	107.2212	2.779	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(OH)(H){3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.8460	1.608	2	107.8460	2.586	2	105.7381	4.412	13	107.2212	2.779	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(OH)(H){7|C<4>}	H(C[6,6]C[6,6]C[6]2)	103.2410	0.000	1	103.2410	0.000	1	105.7381	4.412	13	107.2212	2.779	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)(H){1|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	103.1340	0.000	1	103.1340	0.000	1	105.7381	4.412	13	107.2212	2.779	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8370	0.000	1	106.8370	0.000	1	105.7381	4.412	13	107.2212	2.779	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.7645	1.409	2	106.7645	1.986	2	105.7381	4.412	13	107.2212	2.779	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6450	0.000	1	107.6450	0.000	1	105.7381	4.412	13	107.2212	2.779	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7640	0.000	1	107.7640	0.000	1	105.7381	4.412	13	107.2212	2.779	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	102.9930	0.068	2	102.9930	0.005	2	105.7381	4.412	13	107.2212	2.779	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(H){6|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9580	0.000	1	107.9580	0.000	1	108.0582	0.202	17	107.2212	2.779	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4075	0.433	2	108.4075	0.188	2	108.0582	0.202	17	107.2212	2.779	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])(H){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2020	0.000	1	107.2020	0.000	1	108.0582	0.202	17	107.2212	2.779	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(H){6|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|O<2>,5|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3150	0.297	2	108.3150	0.088	2	108.0582	0.202	17	107.2212	2.779	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){2|C<4>,3|C<3>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6625	0.461	4	107.6625	0.213	4	108.0582	0.202	17	107.2212	2.779	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|F<1>,1|N<3>,3|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5030	0.000	1	108.3475	0.048	2	108.0582	0.202	17	107.2212	2.779	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1920	0.000	1	108.3475	0.048	2	108.0582	0.202	17	107.2212	2.779	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)2(H){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.1415	0.132	2	108.1415	0.017	2	108.0582	0.202	17	107.2212	2.779	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)2(H){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0845	0.189	2	108.0845	0.036	2	108.0582	0.202	17	107.2212	2.779	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5880	0.000	1	108.5880	0.000	1	108.0582	0.202	17	107.2212	2.779	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:S[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6]H)(C[6]C[6a]S[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(S[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6]H)(C[6]C[6a]S[6]H)(H){1|H<1>,2|C<4>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(S[6]C[6])(H){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8307	0.331	4	106.8307	0.109	4	107.0164	0.254	5	107.2212	2.779	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:S[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]S[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(S[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]S[6]H)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(S[6]C[6])(H){1|F<1>,2|C<4>,3|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7590	0.000	1	107.7590	0.000	1	107.0164	0.254	5	107.2212	2.779	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[5]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(C[6]N[5]O[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[5]C[5]2)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(C[6]N[5]O[6]H)(H){1|H<1>,1|S<4>,2|C<4>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(N[5]C[5]2)(O[6]C[6])(H){1|N<3>,3|C<4>,4|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1840	0.000	1	108.1840	0.000	1	108.1840	0.000	1	107.2212	2.779	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2O)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2O)(C[6]C[6]HO)(H){3|C<3>,3|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)(H){1|O<2>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.2940	0.000	1	108.2940	0.000	1	108.2940	0.000	1	107.2212	2.779	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:N[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]O[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]O[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6])(H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.6770	0.000	1	108.6770	0.000	1	108.6770	0.000	1	107.2212	2.779	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]O[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]O[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	111.2570	0.000	1	111.2570	0.000	1	111.2570	0.000	1	107.2212	2.779	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]O[6]H)2(C[6,6]C[6]2H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]O[6]H)2(C[6,6]C[6]2H)(H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|Br<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9510	0.522	2	107.9335	0.174	4	107.9335	0.174	4	107.2212	2.779	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]O[6]H)2(C[6,6]C[6]2H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]O[6]H)2(C[6,6]C[6]2H)(H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9160	0.499	2	107.9335	0.174	4	107.9335	0.174	4	107.2212	2.779	57	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:2:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]OO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]OO)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.3630	0.000	1	106.3630	0.000	1	106.3630	0.000	1	106.3630	0.000	1	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:2:4:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]O[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]2)(O[6]C[6])(CH3)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]O[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]2)(O[6]C[6])(CH3){1|O<1>,2|O<2>,4|H<1>,5|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	104.6950	0.000	1	104.6950	0.000	1	104.6950	0.000	1	104.6950	0.000	1	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]N[6,6]C[6]O[6])(C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]N[6,6]C[6]O[6])(C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(H){3|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.7665	0.114	2	107.7665	0.013	2	107.7665	0.013	2	107.2225	2.350	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]O)(CC[6a]O)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]O)(CC[6a]O)(H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.9750	0.000	1	106.9750	0.000	1	106.9750	0.000	1	107.2225	2.350	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6a]C[6]H)(C[6]C[6]CH)(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){3|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.3800	0.000	1	106.3800	0.000	1	106.3800	0.000	1	107.2225	2.350	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[3x6]C[6])(C[6]C[6]2)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,6|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[3x6]C[6])(C[6]C[6]2)(H){2|N<3>,5|C<4>,9|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.4500	0.000	1	107.4500	0.000	1	107.4500	0.000	1	107.2225	2.350	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]CH)(H){1|H<1>,1|N<2>,3|C<3>,3|C<4>,3|O<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){2|C<4>,3|H<1>,5|C<3>}	H(C[6,6]C[5,6,6]C[6]2)	105.8970	0.000	1	105.8970	0.000	1	105.8970	0.000	1	107.2225	2.350	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCH)(H){3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1160	0.000	1	108.1160	0.000	1	107.7876	0.298	5	107.2225	2.350	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCH)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9520	0.000	1	107.9520	0.000	1	107.7876	0.298	5	107.2225	2.350	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9120	0.000	1	106.9120	0.000	1	107.7876	0.298	5	107.2225	2.350	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(CC[6a]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(CC[6a]O)(H){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6500	0.000	1	107.6500	0.000	1	107.7876	0.298	5	107.2225	2.350	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(COO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(COO)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.3080	0.000	1	108.3080	0.000	1	107.7876	0.298	5	107.2225	2.350	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[5,6]O[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]N[5,6]O[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H){1|H<1>,1|S<4>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3250	0.038	2	108.3250	0.001	2	108.3250	0.001	2	107.2225	2.350	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:N-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NCC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NCC)(H){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.3980	0.000	1	106.3980	0.000	1	106.3980	0.000	1	107.2225	2.350	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:N[5]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[5]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(N[5]C[5]2)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[5]H)(C[6]C[6]HH)(H){1|O<1>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(N[5]C[5]2)(H){6|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.0070	0.000	1	106.0070	0.000	1	106.0070	0.000	1	107.2225	2.350	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|O<2>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8800	0.174	2	107.8800	0.030	2	108.0420	0.433	4	107.2225	2.350	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6a]C[6]H)(C[6]S[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6a]C[6]H)(C[6]S[6]HH)(H){2|H<1>,6|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,1|S<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4410	0.000	1	107.4410	0.000	1	108.0420	0.433	4	107.2225	2.350	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H){1|H<1>,1|S<4>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.9670	0.000	1	108.9670	0.000	1	108.0420	0.433	4	107.2225	2.350	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,3|C<3>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	102.9797	4.754	2	104.6033	8.997	6	105.9906	5.461	15	107.2225	2.350	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,3|C<3>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.4150	2.197	4	104.6033	8.997	6	105.9906	5.461	15	107.2225	2.350	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6]H)(C[6]C[6a]S[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6]H)(C[6]C[6a]S[6]H)(H){1|H<1>,2|C<4>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|S<2>,4|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8118	0.318	4	106.8118	0.101	4	105.9906	5.461	15	107.2225	2.350	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.2360	1.215	2	105.2360	1.476	2	105.9906	5.461	15	107.2225	2.350	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6a]N[6]2)(C[6]C[6a]N[6]H)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6a]N[6]2)(C[6]C[6a]N[6]H)2(H){4|H<1>,8|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,3|H<1>,3|N<3>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.2105	0.021	2	108.2105	0.000	2	105.9906	5.461	15	107.2225	2.350	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0990	0.000	1	108.0990	0.000	1	105.9906	5.461	15	107.2225	2.350	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]N[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(COO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]N[6]CH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(COO)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.5160	0.000	1	107.5160	0.000	1	108.3412	2.808	5	107.2225	2.350	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]S[6]H)(CCH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]CH)(H){1|S<4>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]S[6]H)(CCH)(H){1|N<3>,2|C<4>,2|O<1>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3040	0.000	1	107.3040	0.000	1	108.3412	2.808	5	107.2225	2.350	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]S[6]H)(CCO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]CH)(H){1|S<4>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]S[6]H)(CCO)(H){1|N<3>,2|C<4>,2|O<1>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9140	1.315	2	107.9140	1.730	2	108.3412	2.808	5	107.2225	2.350	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]N[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]N[6]CH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	111.0580	0.000	1	111.0580	0.000	1	108.3412	2.808	5	107.2225	2.350	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(C[6]N[5]O[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]S)(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(C[6]N[5]O[6]H)(H){1|H<1>,1|S<4>,2|C<4>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]S)(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,4|H<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.1320	0.000	1	108.1320	0.000	1	107.8644	0.071	14	107.2225	2.350	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1200	0.007	2	107.8438	0.070	13	107.8644	0.071	14	107.2225	2.350	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7936	0.258	11	107.8438	0.070	13	107.8644	0.071	14	107.2225	2.350	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]N)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]N)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,3|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1600	0.000	1	108.1600	0.000	1	107.8430	0.119	3	107.2225	2.350	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]N[6]O[6]H)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]N[6]O[6]H)(C[6]C[6]CH)(H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4760	0.000	1	107.4760	0.000	1	107.8430	0.119	3	107.2225	2.350	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]N[6]O[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]N[6]O[6]H)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8930	0.000	1	107.8930	0.000	1	107.8430	0.119	3	107.2225	2.350	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<4>,3|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.5207	0.183	4	106.1752	1.048	6	106.1752	1.048	6	107.2225	2.350	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|N<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<4>,3|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4840	0.007	2	106.1752	1.048	6	106.1752	1.048	6	107.2225	2.350	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6]C[6a]H)2(C[6,6]N[6]O[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5,6]C[6a]H)2(C[6,6]N[6]O[6]H)(H){1|C<4>,9|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.1080	0.000	1	107.3720	0.053	3	107.3720	0.053	3	107.2225	2.350	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6]C[6a]H)2(C[6,6]N[6]O[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5,6]C[6a]H)2(C[6,6]N[6]O[6]H)(H){2|C<4>,8|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.5040	0.025	2	107.3720	0.053	3	107.3720	0.053	3	107.2225	2.350	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(C[6,6]O[6]2H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(C[6,6]O[6]2H)(H){1|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|O<2>,4|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5740	0.344	2	108.5740	0.118	2	108.5740	0.118	2	107.2225	2.350	67	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:3:2:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:C-3:O-2:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(C[6]N[6]CO)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6,6a]C)(COO)(OH)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(C[6]N[6]CO)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6,6a]C)(COO)(OH){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	103.7930	0.000	1	103.7930	0.000	1	103.7930	0.000	1	104.7345	1.773	2	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:3:2:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:C-3:O-2:	C[6,6]-4:	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[5,6,6]HH)(C[6]C[5,6]CO)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,5,6]N[5])(COO)(OH)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[5,6,6]HH)(C[6]C[5,6]CO)(H){1|N<2>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,5,6]N[5])(COO)(OH){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.6760	0.000	1	105.6760	0.000	1	105.6760	0.000	1	104.7345	1.773	2	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:3:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O)(CCH)(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]CC)(H){1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O)(CCH)(COO){3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3020	0.000	1	108.3020	0.000	1	108.3020	0.000	1	108.3020	0.000	1	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	H(C[6,6]C[3,6,6]C[6]2)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3,6,6]C[6]2)	108.1450	0.000	1	108.1450	0.000	1	108.1450	0.000	1	107.3167	0.877	75	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]C)(CH3)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]C)(CH3)(H){3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.8570	0.000	1	106.8570	0.000	1	106.9004	0.088	23	107.3167	0.877	75	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<2>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(H){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.5940	0.000	1	107.5940	0.000	1	106.9004	0.088	23	107.3167	0.877	75	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]O)(CH3)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]O)(CH3)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.7928	0.235	15	106.7928	0.055	15	106.9004	0.088	23	107.3167	0.877	75	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|O<2>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6]2)	107.0225	0.487	2	107.0612	0.072	6	106.9004	0.088	23	107.3167	0.877	75	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|H<1>,4|O<2>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6]2)	107.2510	0.000	1	107.0612	0.072	6	106.9004	0.088	23	107.3167	0.877	75	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|O<2>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6]2)	107.0237	0.199	3	107.0612	0.072	6	106.9004	0.088	23	107.3167	0.877	75	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[5a,6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[5a,6]C[5a,6]C[5a])(CH3)(H)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[5a,6]C[5a,6]C[5a])(CH3)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	106.2953	0.047	3	106.2953	0.002	3	106.2953	0.002	3	107.3167	0.877	75	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(CH3)(H)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]CH)(H){1|H<1>,1|N<2>,3|C<3>,3|C<4>,3|O<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(CH3)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[5,6,6]C[6]2)	105.8640	0.000	1	105.8640	0.000	1	105.8640	0.000	1	107.3167	0.877	75	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5a,6]S[5]2)(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]N[6]O)(CCHH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5a,6]S[5]2)(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|N<3>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]N[6]O)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>,2|S<2>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.7450	0.000	1	107.7450	0.000	1	107.7450	0.000	1	107.3167	0.877	75	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(H)	C[6](C[6,6]C[6,6]2H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(H){2|C<4>,2|N<3>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	108.5340	0.482	3	108.5340	0.232	3	108.5340	0.232	3	107.3167	0.877	75	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(CH3)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2020	0.000	1	107.2020	0.000	1	107.2020	0.000	1	107.3167	0.877	75	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.3330	0.000	1	106.3330	0.000	1	107.2739	0.957	19	107.3167	0.877	75	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]CH)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(CCHH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]CH)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.7000	0.000	1	108.7000	0.000	1	107.2739	0.957	19	107.3167	0.877	75	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[3,6]HH)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[3,6]HH)(C[6]C[6]CH)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9747	0.270	3	106.9747	0.073	3	107.2739	0.957	19	107.3167	0.877	75	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7730	0.721	2	107.7730	0.520	2	107.2739	0.957	19	107.3167	0.877	75	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(H){1|Si<4>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.9665	0.110	2	106.9665	0.012	2	107.2739	0.957	19	107.3167	0.877	75	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.2520	0.000	1	106.2520	0.000	1	107.2739	0.957	19	107.3167	0.877	75	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H){2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0850	0.000	1	108.0850	0.000	1	107.2739	0.957	19	107.3167	0.877	75	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5560	0.000	1	108.5560	0.000	1	107.2739	0.957	19	107.3167	0.877	75	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6])(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6])(CH3)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4640	0.000	1	108.4640	0.000	1	107.2739	0.957	19	107.3167	0.877	75	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]O[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]O[6]CH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5800	0.000	1	108.5800	0.000	1	107.2739	0.957	19	107.3167	0.877	75	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6435	0.670	2	106.6435	0.448	2	107.2739	0.957	19	107.3167	0.877	75	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.0470	0.000	1	105.0470	0.000	1	107.2739	0.957	19	107.3167	0.877	75	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(H){3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2490	0.093	2	107.2490	0.009	2	107.2739	0.957	19	107.3167	0.877	75	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:N-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HH)(C[6]C[6]HN)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NCCH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HH)(C[6]C[6]HN)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NCCH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.8430	0.000	3	108.8430	0.000	3	108.7724	0.009	5	107.3167	0.877	75	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:N-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HO)(C[6]C[6]HN)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NCCH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HO)(C[6]C[6]HN)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NCCH)(H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.6665	0.005	2	108.6665	0.000	2	108.7724	0.009	5	107.3167	0.877	75	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:S-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HS)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(SC[6a]OO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HS)(H){1|C<4>,1|N<3>,2|O<1>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(SC[6a]OO)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3720	0.000	1	108.3720	0.000	1	108.3720	0.000	1	107.3167	0.877	75	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4760	0.000	1	107.4760	0.000	1	106.8053	4.491	3	107.3167	0.877	75	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|C<3>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5080	0.000	1	108.5080	0.000	1	106.8053	4.491	3	107.3167	0.877	75	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.4320	0.000	1	104.4320	0.000	1	106.8053	4.491	3	107.3167	0.877	75	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[5a]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HS)(C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HS)(C[6]N[5a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H){1|O<1>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3560	0.000	1	108.3560	0.000	1	108.3560	0.000	1	107.3167	0.877	75	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]CH)(C[6]O[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(CHHO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]CH)(C[6]O[6]HO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(CHHO)(H){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.3150	0.252	2	106.3150	0.063	2	106.3150	0.063	2	107.3167	0.877	75	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]N[6]HH)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CH3)(H){1|C<4>,1|N<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3000	0.000	1	106.9237	0.282	3	107.3693	0.513	6	107.3167	0.877	75	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]N[6]HH)(H){1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CH3)(H){1|C<4>,1|N<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.7355	0.593	2	106.9237	0.282	3	107.3693	0.513	6	107.3167	0.877	75	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]N[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCHH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]N[6]CH)(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0810	0.000	1	107.0810	0.000	1	107.3693	0.513	6	107.3167	0.877	75	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]N[6]CH)(C[6]O[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCHH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]N[6]CH)(C[6]O[6]CH)(H){1|S<4>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCHH)(H){2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1820	0.013	2	108.1820	0.000	2	107.3693	0.513	6	107.3167	0.877	75	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9385	0.172	2	107.9385	0.030	2	108.0220	0.044	4	107.3167	0.877	75	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]N[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]N[6,6]HH)(H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2990	0.000	1	108.2990	0.000	1	108.0220	0.044	4	107.3167	0.877	75	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9120	0.000	1	107.9120	0.000	1	108.0220	0.044	4	107.3167	0.877	75	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(C[6,6]O[6]2H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(C[6,6]O[6]2H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|O<2>,4|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4530	0.000	1	108.4530	0.000	1	108.4530	0.000	1	107.3167	0.877	75	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:2:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:N-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(NN)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(NN){3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.7520	0.000	1	106.7520	0.000	1	106.7520	0.000	1	107.0884	2.292	11	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:2:	4:	C[4,5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C-4:O-2:	C[6,6]-4:	C[6,6](C[4,5,6,6]C[4,6]N[4,5]N[5,6])(C[6]C[6,6a]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[4,5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	H(C[6,6]C[4,5,6,6]C[6]2)	C[6,6](C[4,5,6,6]C[4,6]N[4,5]N[5,6])(C[6]C[6,6a]CO)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6]C[4,5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	H(C[6,6]C[4,5,6,6]C[6]2)	108.2070	0.000	1	108.2070	0.000	1	108.2070	0.000	1	107.0884	2.292	11	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:C-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(CH3)(OC)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(CH3)(OC){3|H<1>,3|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.3535	0.247	2	107.3535	0.061	2	107.3535	0.061	2	107.0884	2.292	11	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(CCHH)(CN)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,2|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(CCHH)(CN){3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4770	0.366	3	108.4770	0.134	3	108.3897	0.120	4	107.0884	2.292	11	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(CCHH)(CN)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(CCHH)(CN){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1280	0.000	1	108.1280	0.000	1	108.3897	0.120	4	107.0884	2.292	11	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(OH){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.8365	0.152	2	104.8365	0.023	2	104.9157	0.030	3	107.0884	2.292	11	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CO)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(OH){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.0740	0.000	1	105.0740	0.000	1	104.9157	0.030	3	107.0884	2.292	11	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(COO){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.3850	0.000	1	104.3850	0.000	1	104.4945	0.024	2	105.2377	1.669	3	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(COO){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.6040	0.000	1	104.6040	0.000	1	104.4945	0.024	2	105.2377	1.669	3	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:3:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:B[6a]-3:C[6]-4:B[5]-3:	C[6,6]-4:	C[6,6](C[6]B[6a]B[5]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(B[6a]N[6a]2)(C[6]C[6]HH)(B[5]O[5]2)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]B[6a]B[5]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<4>,2|N<3>,2|O<2>,8|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(B[6a]N[6a]2)(C[6]C[6]HH)(B[5]O[5]2){2|C<3>,5|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.7240	0.000	1	106.7240	0.000	1	106.7240	0.000	1	105.2377	1.669	3	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3)2	H(C[6,6]C[3,6,6]C[6]2)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3,6,6]C[6]2)	106.2655	0.214	2	105.4398	0.426	6	105.4398	0.426	6	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3)2	H(C[6,6]C[3,6,6]C[6]2)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3)2{4|C<4>,4|H<1>}	H(C[6,6]C[3,6,6]C[6]2)	105.0270	0.114	4	105.4398	0.426	6	105.4398	0.426	6	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[4,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6,6]C[4,6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]O)(CH3)2	H(C[6,6]C[4,6,6]C[6]2)	C[6,6](C[4,6,6]C[4,6,6]C[4,6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[4,6,6]C[6]2)	102.9300	0.000	1	102.9300	0.000	1	102.9300	0.000	1	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CH3)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CH3)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	107.8700	0.000	1	107.8700	0.000	1	107.8700	0.000	1	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(CH3)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(CH3)2{3|H<1>,4|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	104.7565	0.049	2	104.7565	0.002	2	104.7565	0.002	2	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(CCHH)(CH3)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H){1|O<2>,2|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(CCHH)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.0160	0.236	2	106.0160	0.056	2	106.0160	0.056	2	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(CH3)2{2|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.5995	0.004	2	106.5995	0.000	2	106.5995	0.000	2	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[5a]-3:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[5a]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5a]N[5a]S[5a])(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[5a]C[6]C)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|S<2>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5a]N[5a]S[5a])(C[6]C[6]HH)(CH3){1|N<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.7745	0.285	2	104.7745	0.081	2	104.7745	0.081	2	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9630	0.000	1	104.9630	0.000	1	105.0860	0.985	112	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.4070	0.000	1	104.4070	0.000	1	105.0860	0.985	112	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.6845	0.156	2	104.6845	0.024	2	105.0860	0.985	112	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(CH3){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.1260	0.000	1	105.1260	0.000	1	105.0860	0.985	112	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(CH3){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.7070	0.000	1	105.7070	0.000	1	105.0860	0.985	112	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9517	0.208	3	104.9352	0.022	5	105.0860	0.985	112	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9105	0.001	2	104.9352	0.022	5	105.0860	0.985	112	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCHH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCHH)(CH3){3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6150	0.000	1	106.6150	0.000	1	105.0860	0.985	112	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(CH3){3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.1164	0.250	5	106.1164	0.063	5	105.0860	0.985	112	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CHHO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CHHO)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.5220	0.000	1	105.5220	0.000	1	105.0860	0.985	112	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)2{3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.0070	0.000	1	105.0070	0.000	1	105.0860	0.985	112	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(CC[6a]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(CC[6a]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.1120	0.000	1	104.1120	0.000	1	105.0860	0.985	112	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(CC[6a]HH)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(CC[6a]HH)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.8980	0.000	1	104.8980	0.000	1	105.0860	0.985	112	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.6820	0.000	1	104.5540	0.033	2	105.0860	0.985	112	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|N<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(CH3)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.4260	0.000	1	104.5540	0.033	2	105.0860	0.985	112	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.5260	0.474	6	104.7686	0.710	67	105.0860	0.985	112	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.5403	0.165	3	104.7686	0.710	67	105.0860	0.985	112	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.7542	0.378	13	104.7686	0.710	67	105.0860	0.985	112	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.7363	0.774	3	104.7686	0.710	67	105.0860	0.985	112	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.9990	0.083	2	104.7686	0.710	67	105.0860	0.985	112	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.0850	0.000	1	104.7686	0.710	67	105.0860	0.985	112	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.0550	0.000	1	104.7686	0.710	67	105.0860	0.985	112	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.5225	0.630	2	104.7686	0.710	67	105.0860	0.985	112	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.8470	0.110	4	104.7686	0.710	67	105.0860	0.985	112	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.1980	0.122	2	104.7686	0.710	67	105.0860	0.985	112	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|Cl<1>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.6940	0.000	1	104.7686	0.710	67	105.0860	0.985	112	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.1650	0.283	3	104.7686	0.710	67	105.0860	0.985	112	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.6935	0.094	2	104.7686	0.710	67	105.0860	0.985	112	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.1030	0.000	1	104.7686	0.710	67	105.0860	0.985	112	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.5677	1.207	23	104.7686	0.710	67	105.0860	0.985	112	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.6120	0.296	5	105.6400	0.075	6	105.0860	0.985	112	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.7800	0.000	1	105.6400	0.075	6	105.0860	0.985	112	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(C[6]C[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CHHO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CHHO)(CH3){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9870	0.000	1	106.9870	0.000	1	105.0860	0.985	112	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.3480	0.263	2	105.0787	0.125	4	105.0860	0.985	112	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.7240	0.000	1	105.0787	0.125	4	105.0860	0.985	112	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.8950	0.000	1	105.0787	0.125	4	105.0860	0.985	112	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CC)(H){1|N<3>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<2>,1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.4330	0.000	1	105.4330	0.000	1	105.0860	0.985	112	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1980	0.147	2	105.6236	1.265	7	105.0860	0.985	112	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|O<1>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.3670	0.027	2	105.6236	1.265	7	105.0860	0.985	112	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.0640	0.000	1	105.6236	1.265	7	105.0860	0.985	112	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.5250	0.000	1	105.6236	1.265	7	105.0860	0.985	112	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.6460	0.000	1	105.6236	1.265	7	105.0860	0.985	112	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(CH3){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.3440	0.000	1	109.3440	0.000	1	105.0860	0.985	112	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5220	0.000	1	107.5220	0.000	1	105.0860	0.985	112	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]In[6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]In[6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|Br<1>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(CH3)2{1|In<4>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2370	0.000	1	107.2370	0.000	1	105.0860	0.985	112	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]CC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(CH3)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8120	0.000	1	107.8120	0.000	1	107.4930	0.204	2	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]N[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]N[6]CC)(H){1|S<4>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CH3)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1740	0.000	1	107.1740	0.000	1	107.4930	0.204	2	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:S[6]-3:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]S[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6]Co)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]S[6]CC)(H){1|Co<5>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6]Co)(CH3)2{1|O<2>,1|P<4>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1970	0.000	1	107.1970	0.000	1	107.1970	0.000	1	105.1874	1.126	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[3,6,6]C[6,6]B[3]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[3,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[3,6,6]C[6]2)	C[6,6](B[3,6,6]C[6,6]B[3]2)(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,7|H<1>}	C[6](C[6,6]B[3,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|B<4>,1|B<5>,2|C<4>,4|H<1>}	H(C[6,6]B[3,6,6]C[6]2)	108.3935	0.165	4	108.3935	0.027	4	108.3935	0.027	4	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[3x6]C[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[3x6]C[6]2)	C[6,6](B[3x6]C[6,6]C[6]2)(C[6]C[6]HH)2(H){2|C<4>,2|S<3>,9|H<1>}	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6,6]B[3x6]C[6]2)	107.8170	0.151	2	107.8170	0.023	2	108.4007	0.334	62	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[3x6]C[6,6]C[6]S[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[3x6]C[6]2)	C[6,6](B[3x6]C[6,6]C[6]S[6])(C[6]C[6]HH)2(H){1|S<3>,4|C<4>,7|H<1>}	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|S<3>,3|C<4>,4|H<1>}	H(C[6,6]B[3x6]C[6]2)	108.8672	0.522	4	108.8672	0.273	4	108.4007	0.334	62	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[3x6]C[6,6]H[6]N[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[3x6]C[6]2)	C[6,6](B[3x6]C[6,6]H[6]N[6])(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|H<2>,1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]B[3x6]C[6]2)	108.7990	0.250	8	108.7990	0.063	8	108.4007	0.334	62	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[3x6]C[6,6]N[6,6]C[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[3x6]C[6]2)	C[6,6](B[3x6]C[6,6]N[6,6]C[6])(C[6]C[6]HH)2(H){3|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6,6]B[3x6]C[6]2)	108.4421	0.324	21	108.4421	0.105	21	108.4007	0.334	62	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[3x6]C[6,6]N[6,6]O[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[3x6]C[6]2)	C[6,6](B[3x6]C[6,6]N[6,6]O[6])(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]B[3x6]C[6]2)	108.6318	0.326	4	108.6318	0.106	4	108.4007	0.334	62	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[3x6]C[6]2)	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H){1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]B[3x6]C[6]2)	108.4694	0.183	7	108.1631	0.631	18	108.4007	0.334	62	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[3x6]C[6]2)	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]B[3x6]C[6]2)	108.6089	0.189	7	108.1631	0.631	18	108.4007	0.334	62	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[3x6]C[6]2)	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]B[3x6]C[6]2)	106.8468	0.666	4	108.1631	0.631	18	108.4007	0.334	62	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[3x6]C[6,6]S[6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[3x6]C[6]2)	C[6,6](B[3x6]C[6,6]S[6]2)(C[6]C[6]HH)2(H){5|H<1>,6|C<4>}	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|S<3>,4|H<1>}	H(C[6,6]B[3x6]C[6]2)	108.6570	0.083	2	108.6570	0.007	2	108.4007	0.334	62	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[3x6]N[6,6a]C[6,6]C[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[3x6]C[6]2)	C[6,6](B[3x6]N[6,6a]C[6,6]C[6])(C[6]C[6]HH)2(H){3|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6,6]B[3x6]C[6]2)	107.7637	0.520	3	107.7637	0.270	3	108.4007	0.334	62	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[4,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[4,6,6]C[6,6]N[4]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[4,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[4,6,6]C[6]2)	C[6,6](B[4,6,6]C[6,6]N[4]2)(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]B[4,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6,6]B[4,6,6]C[6]2)	108.7870	0.309	4	108.7870	0.096	4	108.7870	0.096	4	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[4a,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[4a,6,6]C[6,6]C[4a]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[4a,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[4a,6,6]C[6]2)	C[6,6](B[4a,6,6]C[6,6]C[4a]2)(C[6]C[6]HH)2(H){1|B<4>,2|C<2>,2|C<4>,5|H<1>}	C[6](C[6,6]B[4a,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]B[4a,6,6]C[6]2)	108.5880	0.160	7	108.5880	0.026	7	108.5880	0.026	7	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[5,6,6]C[6,6]C[5]N[5])(C[6]C[6]HH)2(H)	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[5,6,6]C[6]2)	C[6,6](B[5,6,6]C[6,6]C[5]N[5])(C[6]C[6]HH)2(H){6|C<4>,7|H<1>}	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,4|H<1>}	H(C[6,6]B[5,6,6]C[6]2)	106.2480	0.870	4	106.2480	0.757	4	108.0390	0.593	31	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[5,6,6]C[6,6]C[5]O[5])(C[6]C[6]HH)2(H)	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[5,6,6]C[6]2)	C[6,6](B[5,6,6]C[6,6]C[5]O[5])(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]B[5,6,6]C[6]2)	108.3353	0.258	4	108.3353	0.067	4	108.0390	0.593	31	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)2(H)	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[5,6,6]C[6]2)	C[6,6](B[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6,6]B[5,6,6]C[6]2)	108.2273	0.108	3	108.2989	0.026	23	108.0390	0.593	31	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)2(H)	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[5,6,6]C[6]2)	C[6,6](B[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)2(H){1|Si<4>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]B[5,6,6]C[6]2)	108.2935	0.268	4	108.2989	0.026	23	108.0390	0.593	31	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)2(H)	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[5,6,6]C[6]2)	C[6,6](B[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)2(H){2|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]B[5,6,6]C[6]2)	108.4239	0.068	8	108.2989	0.026	23	108.0390	0.593	31	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)2(H)	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[5,6,6]C[6]2)	C[6,6](B[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)2(H){3|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]B[5,6,6]C[6]2)	108.2035	0.110	8	108.2989	0.026	23	108.0390	0.593	31	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[5a,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[5a,6,6]C[6,6]C[5a]N[5a])(C[6]C[6]HH)2(H)	C[6](C[6,6]B[5a,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[5a,6,6]C[6]2)	C[6,6](B[5a,6,6]C[6,6]C[5a]N[5a])(C[6]C[6]HH)2(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]B[5a,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]B[5a,6,6]C[6]2)	108.2460	0.367	4	108.2460	0.134	4	108.6225	0.057	29	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[5a,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[5a,6,6]N[5a,6a]2C[6,6])(C[6]C[6]HH)2(H)	C[6](C[6,6]B[5a,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[5a,6,6]C[6]2)	C[6,6](B[5a,6,6]N[5a,6a]2C[6,6])(C[6]C[6]HH)2(H){2|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]B[5a,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6,6]B[5a,6,6]C[6]2)	108.6828	0.148	25	108.6828	0.022	25	108.6225	0.057	29	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[6,6,6a]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6,6a]N[6a,6a]C[6,6]C[6a])(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6,6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6,6a]C[6]2)	C[6,6](B[6,6,6a]N[6a,6a]C[6,6]C[6a])(C[6]C[6]HH)2(H){2|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]B[6,6,6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]B[6,6,6a]C[6]2)	108.3885	0.031	4	108.3885	0.001	4	108.3885	0.001	4	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,3|C<4>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.4621	0.103	12	108.3180	0.049	67	108.2611	0.411	247	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.2866	0.228	55	108.3180	0.049	67	108.2611	0.411	247	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]CO)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]CO)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.0953	0.031	3	108.0755	0.020	11	108.2611	0.411	247	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]CO)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]CO)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<3>,3|C<4>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.0681	0.168	8	108.0755	0.020	11	108.2611	0.411	247	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]CS)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]CS)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|S<3>,3|C<4>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.4170	0.084	6	108.4170	0.007	6	108.2611	0.411	247	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]C[5]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]C[5]2)(C[6]C[6]HH)2(H){2|C<4>,4|N<3>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	107.8678	1.758	4	107.8678	3.092	4	108.2611	0.411	247	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]B[6,6]C[6]2)	107.9850	0.139	4	108.5216	0.382	46	108.2611	0.411	247	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.5727	0.622	42	108.5216	0.382	46	108.2611	0.411	247	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]C[5]I)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]C[5]I)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|I<1>,2|C<4>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	106.3877	0.855	4	106.3877	0.731	4	108.2611	0.411	247	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.1718	0.055	4	108.1718	0.003	4	108.2611	0.411	247	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]C[6a]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]C[6a]C)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.5520	0.165	3	108.5520	0.027	3	108.2611	0.411	247	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,6|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.0350	0.010	3	108.0350	0.000	3	108.2611	0.411	247	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]HP)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]HP)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|P<4>,2|C<4>,5|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.5275	0.161	4	108.5275	0.026	4	108.2611	0.411	247	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H){1|H<2>,2|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.1550	0.040	2	108.4881	0.134	35	108.2611	0.411	247	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,2|N<3>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.5212	0.405	18	108.4881	0.134	35	108.2611	0.411	247	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H){2|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,3|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.9440	0.000	1	108.4881	0.134	35	108.2611	0.411	247	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H){2|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.4607	0.317	14	108.4881	0.134	35	108.2611	0.411	247	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]N[5]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]N[5]H)(C[6]C[6]HH)2(H){1|Fe<10>,4|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.3346	0.122	7	108.3346	0.015	7	108.2611	0.411	247	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]N[5]O)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]N[5]O)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<3>,2|C<4>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.4160	0.086	4	108.4160	0.007	4	108.2611	0.411	247	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]N[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]N[6]C)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.3064	0.138	10	108.3064	0.019	10	108.2611	0.411	247	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]N[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]N[6]H)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.3552	0.040	4	108.3552	0.002	4	108.2611	0.411	247	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]OO)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]OO)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	107.6200	1.069	28	107.6200	1.143	28	108.2611	0.411	247	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]RuC)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]RuC)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ru<7>,3|C<4>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.4763	0.138	7	108.4763	0.019	7	108.2611	0.411	247	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[3,5,6]C[6,6]C[6])	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	C[6](C[6,6]C[3,5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[3,5,6]C[6,6]C[6])	107.8190	0.000	1	107.8190	0.000	1	107.8190	0.000	1	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3x6]C[4x6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[3x6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[3,6,6]C[3x6]C[6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3x6]C[4x6]C[6,6]C)(C[6]C[6]HH)(H){2|O<2>,5|C<4>,5|H<1>}	C[6](C[6,6]C[3,6,6]C[3x6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6,6]C[3,6,6]C[3x6]C[6])	106.3200	0.000	1	106.3200	0.000	1	106.3200	0.000	1	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,6]O[5]H)(H)2	H(C[6,6]C[3,6,6]C[5,6]C[6])	C[6,6](C[3,6,6]C[3,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H){1|O<2>,6|C<4>,7|H<1>}	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,6]O[5]H)(H)2{1|H<1>,2|C<3>,6|C<4>}	H(C[6,6]C[3,6,6]C[5,6]C[6])	103.9200	0.000	1	103.9200	0.000	1	103.9200	0.000	1	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,3x6]C[3]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[4x6]HH)(H)2	H(C[6,6]C[3,6,6]C[5,6]C[6])	C[6,6](C[3,6,6]C[3,3x6]C[3]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|Br<1>,1|O<1>,5|H<1>,6|C<4>}	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[4x6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6,6]C[3,6,6]C[5,6]C[6])	106.8530	0.000	1	106.8530	0.000	1	106.3348	1.016	24	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[3,6,6]C[5,6]C[6])	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,8|H<1>}	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[3,6,6]C[5,6]C[6])	106.5840	0.000	1	105.9354	0.106	19	106.3348	1.016	24	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[3,6,6]C[5,6]C[6])	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){1|N<2>,6|C<4>,6|H<1>}	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[3,6,6]C[5,6]C[6])	106.3820	0.000	1	105.9354	0.106	19	106.3348	1.016	24	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[3,6,6]C[5,6]C[6])	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){1|O<2>,6|C<4>,7|H<1>}	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[3,6,6]C[5,6]C[6])	106.0337	0.342	3	105.9354	0.106	19	106.3348	1.016	24	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[3,6,6]C[5,6]C[6])	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,8|H<1>}	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[3,6,6]C[5,6]C[6])	106.1600	0.000	1	105.9354	0.106	19	106.3348	1.016	24	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[3,6,6]C[5,6]C[6])	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){6|C<4>,8|H<1>}	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[3,6,6]C[5,6]C[6])	106.3300	0.000	1	105.9354	0.106	19	106.3348	1.016	24	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[3,6,6]C[5,6]C[6])	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){6|C<4>,8|H<1>}	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[3,6,6]C[5,6]C[6])	105.7680	0.210	12	105.9354	0.106	19	106.3348	1.016	24	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3,6,6]C[5,6]C[6])	C[6,6](C[3,6,6]C[3,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){6|C<4>,8|H<1>}	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[3,6,6]C[5,6]C[6])	106.0930	0.000	1	106.0930	0.000	1	106.3348	1.016	24	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[3,6,6]C[5,6]C[6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[3,6,6]C[5,6]C[6])	108.5430	0.000	1	108.7720	0.135	3	106.3348	1.016	24	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[3,6,6]C[5,6]C[6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[3,6,6]C[5,6]C[6])	108.8865	0.438	2	108.7720	0.135	3	106.3348	1.016	24	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,5,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[3,6,6]C[6,6]C[6])	C[6,6](C[3,6,6]C[3,5,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6,6]C[3,6,6]C[6,6]C[6])	105.8650	0.000	1	105.8650	0.000	1	106.1528	0.607	5	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[3,6,6]C[6,6]C[6])	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[3,6,6]C[6,6]C[6])	105.7910	0.000	1	105.5095	0.158	2	106.1528	0.607	5	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[3,6,6]C[6,6]C[6])	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,3|C<4>,9|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[3,6,6]C[6,6]C[6])	105.2280	0.000	1	105.5095	0.158	2	106.1528	0.607	5	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[3,6,6]C[6,6]C[6])	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[3,6,6]C[6,6]C[6])	107.1860	0.000	1	107.1860	0.000	1	106.1528	0.607	5	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3,6,6]C[6,6]C[6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6,6]C[3,6,6]C[6,6]C[6])	106.6940	0.000	1	106.6940	0.000	1	106.1528	0.607	5	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[3,6,6]C[6]2)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[3,6,6]C[6]2)	104.9447	0.308	4	105.0545	0.074	17	105.2241	0.587	18	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[3,6,6]C[6]2)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[3,6,6]C[6]2)	105.0252	0.163	4	105.0545	0.074	17	105.2241	0.587	18	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[3,6,6]C[6]2)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,7|H<1>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[3,6,6]C[6]2)	105.1162	0.301	9	105.0545	0.074	17	105.2241	0.587	18	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[3,6,6]C[6]2)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[3,6,6]C[6]2)	108.1070	0.000	1	108.1070	0.000	1	105.2241	0.587	18	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3,6]C[3,6]C[3]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6]C[3x6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[3,6]C[3x6]C[6])	C[6,6](C[3,6]C[3,6]C[3]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){2|Br<1>,1|N<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[3,6]C[3x6]H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[3,6]C[3x6]C[6])	107.3110	0.000	1	107.3110	0.000	1	107.3110	0.000	1	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3,6]C[3,5,6]O[3]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[3,6]C[6,6]C[6])	C[6,6](C[3,6]C[3,5,6]O[3]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){4|H<1>,5|C<4>}	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[3,6]C[6,6]C[6])	107.7950	0.000	1	107.7950	0.000	1	106.6998	0.655	11	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[3,6]C[6,6]C[6])	C[6,6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6,6]C[3,6]C[6,6]C[6])	106.3090	0.758	2	106.3090	0.575	2	106.6998	0.655	11	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3,6]C[6,6]C[6])	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[3,6]C[6,6]C[6])	108.1490	0.000	1	108.1490	0.000	1	106.6998	0.655	11	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[3,6]C[6,6]C[6])	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[3,6]C[6,6]C[6])	106.5408	0.534	4	106.5408	0.285	4	106.6998	0.655	11	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[3,6]C[6,6]C[6])	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[3,6]C[6,6]C[6])	107.1250	0.000	1	107.1250	0.000	1	106.6998	0.655	11	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6,6]C[3,6]C[6,6]C[6])	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6,6]C[3,6]C[6,6]C[6])	105.9240	0.165	2	105.9240	0.027	2	106.6998	0.655	11	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[5,6]C[5,6]O[5]O)(H)2	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){1|C<3>,4|C<4>,4|O<2>,7|H<1>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[5,6]C[5,6]O[5]O)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[3x6]C[6,6]C[6])	106.6620	0.000	1	106.6620	0.000	1	106.6620	0.000	1	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[3x6]C[6,6]C[6])	107.5460	0.383	2	107.3607	0.122	4	107.0556	1.038	26	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[3x6]C[6,6]C[6])	107.3760	0.000	1	107.3607	0.122	4	107.0556	1.038	26	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){3|O<2>,5|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[3x6]C[6,6]C[6])	106.9750	0.000	1	107.3607	0.122	4	107.0556	1.038	26	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]O[6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[3x6]O[6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){4|H<1>,6|C<4>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	107.8650	0.000	2	107.8650	0.000	2	107.0556	1.038	26	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){10|H<1>,1|O<2>,5|C<4>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[3x6]C[6,6]C[6])	104.4710	0.000	1	104.6303	0.022	3	107.0556	1.038	26	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,1|C<3>,4|C<4>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6,6]C[3x6]C[6,6]C[6])	104.7100	0.075	2	104.6303	0.022	3	107.0556	1.038	26	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]C[6])	107.5510	0.000	1	107.5510	0.000	1	107.0556	1.038	26	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|N<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	107.7060	0.000	1	107.1499	0.183	14	107.0556	1.038	26	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	107.1213	0.407	6	107.1499	0.183	14	107.0556	1.038	26	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{2|N<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	107.1010	0.000	1	107.1499	0.183	14	107.0556	1.038	26	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|N<4>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	107.0145	0.578	2	107.1499	0.183	14	107.0556	1.038	26	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|N<4>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	106.4470	0.000	1	107.1499	0.183	14	107.0556	1.038	26	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	106.9990	0.000	1	107.1499	0.183	14	107.0556	1.038	26	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	107.4110	0.000	1	107.1499	0.183	14	107.0556	1.038	26	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|N<4>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	107.6770	0.000	1	107.1499	0.183	14	107.0556	1.038	26	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]N[3x6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]N[3x6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|N<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	108.2530	0.000	1	108.3665	0.026	2	107.0556	1.038	26	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]N[3x6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]N[3x6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){4|H<1>,6|C<4>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|N<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	108.4800	0.000	1	108.3665	0.026	2	107.0556	1.038	26	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6,6]N[5]C)(C[6,6]C[3x6]C[6]H)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){2|N<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]N[5]C)(C[6,6]C[3x6]C[6]H)(H)2{1|C<3>,1|N<3>,4|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.9030	0.000	2	107.9030	0.000	2	107.5963	0.282	3	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3x6]C[6]H)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3x6]C[6]H)(H)2{1|N<3>,2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.9830	0.000	1	106.9830	0.000	1	107.5963	0.282	3	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6]2)	107.2950	0.000	1	107.2950	0.000	1	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6]2)	109.1560	0.000	1	107.9380	0.695	4	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6]2)	107.7990	0.000	1	107.9380	0.695	4	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6]2)	107.3985	0.009	2	107.9380	0.695	4	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,4|C<4>}	H(C[6,6]C[3x6]C[6]2)	109.8370	0.000	1	108.4530	3.831	2	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CN)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{1|N<2>,2|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6]2)	107.0690	0.000	1	108.4530	3.831	2	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CO)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6]2)	106.9385	0.186	2	106.9385	0.035	2	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]CH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)2(H){1|C<3>,2|H<1>,6|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.3630	0.000	1	107.7590	0.128	3	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]CH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)2(H){1|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]CH)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.9570	0.144	2	107.7590	0.128	3	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CC)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)2(H){1|C<3>,2|H<1>,6|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	109.3370	0.000	1	109.3370	0.000	1	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)2(H){1|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.9875	0.047	2	107.9875	0.002	2	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.1185	0.383	4	106.1185	0.147	4	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.5960	0.000	1	108.5960	0.000	1	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|N<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.2535	0.373	2	107.2535	0.139	2	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.9980	0.000	3	107.3702	0.303	5	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.9285	0.418	2	107.3702	0.303	5	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.1160	0.000	1	108.1160	0.000	1	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|N<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.2320	0.000	1	108.2320	0.000	1	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,1|N<4>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.5770	0.000	1	107.5770	0.000	1	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.6890	0.000	1	107.6890	0.000	1	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[4x6]C[6]H)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.9270	0.034	2	107.9270	0.001	2	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]O)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[4x6]C[6]O)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.9300	0.000	1	107.9300	0.000	1	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]O[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[4x6]O[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.7970	0.000	1	108.7970	0.000	1	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|N<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.7780	0.000	1	107.7780	0.000	1	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.2875	1.208	2	107.2875	1.460	2	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6,6]C[3x6]C[6]2)	108.2910	0.313	3	108.2910	0.098	3	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]N[5a,6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]N[5a,6]CC)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,4|C<4>}	H(C[6,6]C[3x6]C[6]2)	108.1920	0.000	1	108.1920	0.000	1	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]N[5a,6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]N[5a,6]CC)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,3|C<4>}	H(C[6,6]C[3x6]C[6]2)	106.7600	0.205	2	106.7600	0.042	2	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.0090	0.000	1	107.0090	0.000	1	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2Cr)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2Cr)(C[6]C[6]HH)2(H){4|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|Cr<9>,1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6]2)	106.7103	0.286	4	106.6960	0.075	8	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2Cr)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2Cr)(C[6]C[6]HH)2(H){4|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|Cr<9>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6]2)	106.6817	0.303	4	106.6960	0.075	8	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){2|N<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.1040	0.000	2	107.1040	0.000	2	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){4|H<1>,6|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6]2)	106.3670	0.000	1	106.3670	0.000	1	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|H<1>,6|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6]2)	107.0650	0.000	1	107.0650	0.000	1	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6]2)	108.7690	0.000	1	107.6195	0.689	4	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<2>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6]2)	107.6300	0.000	1	107.6195	0.689	4	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<2>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6]2)	107.2300	0.000	1	107.6195	0.689	4	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6]2)	106.8490	0.000	1	107.6195	0.689	4	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,4|C<4>}	H(C[6,6]C[3x6]C[6]2)	108.0140	0.000	1	107.3810	0.801	2	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6]2)	106.7480	0.000	1	107.3810	0.801	2	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6,6]C[3x6]C[6]2)	108.0000	0.000	1	108.0000	0.000	1	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HO)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.6410	0.000	1	107.6410	0.000	1	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.2100	0.000	1	106.2100	0.000	1	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.7480	0.000	1	107.8803	0.657	3	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.1420	0.000	1	107.8803	0.657	3	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.7510	0.000	1	107.8803	0.657	3	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,3|C<4>,7|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.6127	0.062	4	107.1093	0.310	8	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,9|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6]2)	106.6375	0.220	2	107.1093	0.310	8	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,9|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.5740	0.277	2	107.1093	0.310	8	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<2>,2|C<4>,3|O<2>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6]2)	106.2690	0.000	1	106.6750	0.167	27	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6]2)	106.7920	0.231	15	106.6750	0.167	27	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|O<2>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6]2)	107.0297	0.172	3	106.6750	0.167	27	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,4|O<2>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6]2)	106.3732	0.544	8	106.6750	0.167	27	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|H<1>,4|O<2>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6]2)	107.2320	0.000	1	107.2320	0.000	1	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|O<2>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[3x6]C[6]2)	107.0615	0.490	2	107.0615	0.240	2	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,3|O<2>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.9740	0.000	1	107.9740	0.000	1	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.9650	0.000	1	107.6340	0.219	2	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6]HH)2(H){4|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.3030	0.000	1	107.6340	0.219	2	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.9780	0.000	1	107.9780	0.000	1	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,6|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.5140	0.000	1	107.5140	0.000	1	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6]2)	105.5490	0.000	1	105.5490	0.000	1	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.9050	0.000	1	106.9050	0.000	1	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.2900	0.000	1	107.2900	0.000	1	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.6140	0.000	1	107.6087	0.094	7	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.5950	0.000	1	107.6087	0.094	7	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.8817	0.067	3	107.6087	0.094	7	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(H){4|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.2035	0.054	2	107.6087	0.094	7	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|N<4>,5|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.0490	0.000	1	107.8834	0.505	20	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.9880	0.000	1	107.8834	0.505	20	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,5|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.0512	0.537	12	107.8834	0.505	20	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.0240	0.000	1	107.8834	0.505	20	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|N<4>,5|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.0985	0.497	2	107.8834	0.505	20	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,5|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.8730	0.000	1	107.8834	0.505	20	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,5|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.9790	0.000	1	107.8834	0.505	20	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){3|H<1>,6|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|N<4>,5|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.9430	0.000	1	107.8834	0.505	20	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.5381	0.502	16	107.5381	0.252	16	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]N[6,6]C[6]O[6])(C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]N[6,6]C[6]O[6])(C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(H){3|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.7125	0.083	2	107.7125	0.007	2	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]C[6]O[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]O[6,6]C[6]O[6])(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[3x6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6,6]C[3x6]C[6]2)	106.1630	0.000	1	106.1630	0.000	1	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]C[6]O[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]O[6,6]C[6]O[6])(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.2770	0.000	1	106.2770	0.000	1	107.3535	0.595	162	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6]C)(H)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){3|H<1>,6|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6]C)(H)2{1|N<3>,4|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.9450	0.000	1	107.9450	0.000	1	107.9450	0.000	1	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4,3x6]C[4,6,6]N[6,6]C[4])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[4,3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[4,3x6]C[6]2)	C[6,6](C[4,3x6]C[4,6,6]N[6,6]C[4])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[4,3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[4,3x6]C[6]2)	105.0480	0.000	1	105.0480	0.000	1	105.0480	0.000	1	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6,6]C[4,6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6,6]C[4,6,6]C[6]2)	C[6,6](C[4,6,6]C[4,6,6]C[4,6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6,6]HO)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[4,6,6]C[6]2)	102.9310	0.000	1	102.9310	0.000	1	106.6457	6.156	4	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]N[4,5]C[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[4,6,6]C[6]2)	C[6,6](C[4,6,6]C[4,6]N[4,5]C[6])(C[6]C[6]HH)2(H){1|B<4>,1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,4|H<1>}	H(C[6,6]C[4,6,6]C[6]2)	107.7920	0.000	1	107.7920	0.000	1	106.6457	6.156	4	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]N[4,6]C[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[4,6,6]C[6]2)	C[6,6](C[4,6,6]C[4,6]N[4,6]C[6])(C[6]C[6]HH)2(H){1|B<4>,1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,4|H<1>}	H(C[6,6]C[4,6,6]C[6]2)	107.9300	0.235	2	107.9300	0.055	2	106.6457	6.156	4	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[4x6]O[6,6]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[4x6]C[5,6]H)(C[6]C[3x6]HH)(H)2	H(C[6,6]C[4x6]C[5,6]C[6])	C[6,6](C[4x6]C[4x6]O[6,6]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,8|C<4>}	C[6](C[6,6]C[4x6]C[5,6]H)(C[6]C[3x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[4x6]C[5,6]C[6])	108.2405	0.187	2	108.2405	0.035	2	108.2405	0.035	2	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[5x6]O[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[4x6]C[6]H)2(H)2	H(C[6,6]C[4x6]C[6]2)	C[6,6](C[4x6]C[5x6]O[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[4x6]C[6]H)2(H)2{3|H<1>,3|O<2>,4|C<4>}	H(C[6,6]C[4x6]C[6]2)	108.7350	0.000	1	108.7350	0.000	1	108.7350	0.000	1	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[4x6]C[6]2)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6,6]C[4x6]C[6]2)	108.8190	0.000	1	108.8190	0.000	1	107.6850	2.572	2	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[5x6]O[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[4x6]C[6]2)	C[6,6](C[4x6]C[5x6]O[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[4x6]C[6]2)	106.5510	0.000	1	106.5510	0.000	1	107.6850	2.572	2	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]2C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]O[6]CH)(H)2	H(C[6,6]C[5,3x6]C[6,6]C[6])	C[6,6](C[5,3x6]C[5,6,6]2C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|O<2>,4|H<1>,6|C<4>}	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[6,6]C[5,3x6]C[6,6]C[6])	105.5050	0.000	1	105.5050	0.000	1	105.5050	0.000	1	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,3x6]C[6]2)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[5,3x6]C[6]2)	107.8255	0.122	6	107.8255	0.015	6	107.7839	0.017	8	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,4x6]C[5,6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[5,5,6,6]HO)(H)2	H(C[6,6]C[5,3x6]C[6]2)	C[6,6](C[5,3x6]C[5,5,4x6]C[5,6]H)(C[6]C[6]HH)2(H){1|N<4>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[5,5,6,6]HO)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[5,3x6]C[6]2)	107.6840	0.000	1	107.6840	0.000	1	107.7839	0.017	8	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,4x6]C[5,6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[5,3x6]C[6]2)	C[6,6](C[5,3x6]C[5,5,4x6]C[5,6]H)(C[6]C[6]HH)2(H){1|N<4>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	H(C[6,6]C[5,3x6]C[6]2)	107.6340	0.000	1	107.6340	0.000	1	107.7839	0.017	8	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,5,6,6]C[5,6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6,6]C[5,5,6,6]C[5,6]C[6])	C[6,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,6|H<1>,8|C<4>}	C[6](C[6,6]C[5,5,6,6]C[5,6]H)(C[6]C[5,6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6,6]C[5,5,6,6]C[5,6]C[6])	106.4830	0.000	1	106.4830	0.000	1	106.4830	0.000	1	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,5,6,6]C[6,6]C[6])	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,6|C<4>,6|H<1>}	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[5,5,6,6]C[6,6]C[6])	105.0620	0.000	1	105.3263	0.779	6	105.6271	1.283	7	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,5,6,6]C[6,6]C[6])	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,6|C<4>,6|H<1>}	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5,5,6,6]C[6,6]C[6])	104.4815	0.189	2	105.3263	0.779	6	105.6271	1.283	7	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,5,6,6]C[6,6]C[6])	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,6|C<4>,7|H<1>}	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,3|C<4>,3|H<1>}	H(C[6,6]C[5,5,6,6]C[6,6]C[6])	106.1040	0.997	2	105.3263	0.779	6	105.6271	1.283	7	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,5,6,6]C[6,6]C[6])	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5,5,6,6]C[6,6]C[6])	105.7250	0.000	1	105.3263	0.779	6	105.6271	1.283	7	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]O[5,6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,5,6,6]C[6,6]C[6])	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]O[5,6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[5,5,6,6]C[6,6]C[6])	107.4320	0.000	1	107.4320	0.000	1	105.6271	1.283	7	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[3,6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[5,6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[3,6,6]C[5,6,6]C[6])	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HH)(H){1|O<2>,5|H<1>,6|C<4>}	C[6](C[6,6]C[3,6,6]C[5,6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6,6]C[3,6,6]C[5,6,6]C[6])	105.8890	0.045	2	105.8890	0.002	2	105.8890	0.002	2	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[4x6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[4x6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6,6]C[4x6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|O<1>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	H(C[6,6]C[5,6,6]C[4x6]C[6])	105.5690	0.000	1	104.9250	0.463	3	104.9250	0.463	3	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[4x6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[4x6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6,6]C[4x6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H){1|C<3>,2|O<1>,2|O<2>,4|C<4>,8|H<1>}	C[6](C[6,6]C[5,6,6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[5,6,6]C[4x6]C[6])	104.9930	0.000	1	104.9250	0.463	3	104.9250	0.463	3	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[4x6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[4x6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6,6]C[4x6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H){2|C<3>,2|O<2>,3|C<4>,3|O<1>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	H(C[6,6]C[5,6,6]C[4x6]C[6])	104.2130	0.000	1	104.9250	0.463	3	104.9250	0.463	3	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6,6]2C[6])	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<3>,2|O<1>,2|O<2>,4|C<4>,8|H<1>}	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[5,6,6]2C[6])	107.1190	0.000	1	107.1190	0.000	1	106.7097	0.919	4	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6,6]2C[6])	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|O<1>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	H(C[6,6]C[5,6,6]2C[6])	105.2830	0.000	1	105.2830	0.000	1	106.7097	0.919	4	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6,6]2C[6])	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,4|O<2>,8|H<1>}	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[5,6,6]2C[6])	107.2185	0.190	2	107.2185	0.036	2	106.7097	0.919	4	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2H)(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[5,6]C[6])	C[6,6](C[5,6,6]C[5,6]2H)(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,4|O<2>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6,6]C[5,6]C[6])	105.8950	0.000	1	105.8950	0.000	1	105.3880	3.156	3	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[5,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,3|O<2>,8|H<1>}	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6,6]C[5,6,6]C[5,6]C[6])	103.4130	0.000	1	103.4130	0.000	1	105.3880	3.156	3	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]N[6]HH)(H)2	H(C[6,6]C[5,6,6]C[5,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H){1|C<3>,2|N<3>,3|C<4>,9|H<1>}	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]N[6]HH)(H)2{2|O<2>,5|C<4>}	H(C[6,6]C[5,6,6]C[5,6]C[6])	106.8560	0.000	1	106.8560	0.000	1	105.3880	3.156	3	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:Br-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[5,6]BrH)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6]C[5,6,6]C[6,6]H)(Br)(H)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[5,6]BrH)(H){1|Br<1>,5|C<4>,7|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6]C[5,6,6]C[6,6]H)(Br)(H){4|H<1>,7|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	108.5340	0.000	1	108.5340	0.000	1	108.5340	0.000	1	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]O[5]2)(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]O[5]2)(H)2{1|H<1>,2|C<3>,7|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	104.5800	0.000	1	104.5800	0.000	1	104.5800	0.000	1	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[3,5]C[5,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[3,5]C[5,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,5|C<4>,8|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{8|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	104.9790	0.000	1	104.9790	0.000	1	105.6053	1.386	67	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H){3|O<2>,4|H<1>,6|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|O<2>,7|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	103.3330	0.000	1	103.3330	0.000	1	105.6053	1.386	67	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]C[5]N[6])(C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,5,6]C[5]N[6])(C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	106.3740	0.000	1	106.3740	0.000	1	105.6053	1.386	67	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[3x5,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,6|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[3x5,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	105.8443	0.301	4	105.8443	0.091	4	105.6053	1.386	67	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	107.0720	0.020	2	107.1150	0.071	12	105.6053	1.386	67	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	107.1236	0.293	10	107.1150	0.071	12	105.6053	1.386	67	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,9|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	106.4040	0.068	2	106.5757	0.091	3	105.6053	1.386	67	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|S<2>,4|C<4>,9|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	106.9190	0.000	1	106.5757	0.091	3	105.6053	1.386	67	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2C[6])(C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]2C[6])(C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,3|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	103.6660	0.000	1	103.6660	0.000	1	105.6053	1.386	67	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|O<1>,4|C<4>,9|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	106.3100	0.000	1	106.7105	0.321	2	105.6053	1.386	67	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|O<1>,4|C<4>,9|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	107.1110	0.000	1	106.7105	0.321	2	105.6053	1.386	67	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){10|H<1>,1|Br<1>,1|C<3>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	104.2680	0.000	1	104.7919	0.158	30	105.6053	1.386	67	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){10|H<1>,1|C<3>,1|O<2>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	104.8030	0.000	1	104.7919	0.158	30	105.6053	1.386	67	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){10|H<1>,1|C<3>,1|O<2>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	104.8670	0.000	1	104.7919	0.158	30	105.6053	1.386	67	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){10|H<1>,1|C<3>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	104.4460	0.160	2	104.7919	0.158	30	105.6053	1.386	67	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){10|H<1>,1|O<2>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	104.9190	0.000	1	104.7919	0.158	30	105.6053	1.386	67	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,1|C<3>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	104.4280	0.000	1	104.7919	0.158	30	105.6053	1.386	67	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,1|C<3>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	104.3327	0.177	3	104.7919	0.158	30	105.6053	1.386	67	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,1|C<3>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	105.1683	0.198	12	104.7919	0.158	30	105.6053	1.386	67	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,1|C<3>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	104.6780	0.000	1	104.7919	0.158	30	105.6053	1.386	67	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	104.3230	0.386	3	104.7919	0.158	30	105.6053	1.386	67	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	104.5440	0.000	1	104.7919	0.158	30	105.6053	1.386	67	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	104.6750	0.000	1	104.7919	0.158	30	105.6053	1.386	67	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,9|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	104.8480	0.113	2	104.7919	0.158	30	105.6053	1.386	67	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HO)(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){10|H<1>,1|O<2>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HO)(H)2{8|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	105.3550	0.000	1	105.3550	0.000	1	105.6053	1.386	67	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,2|O<2>,3|C<4>,8|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	104.8890	0.000	1	104.8890	0.000	1	105.6053	1.386	67	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|O<1>,4|C<4>,9|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	106.5170	0.000	1	106.1557	0.110	3	105.6053	1.386	67	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,3|O<1>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	106.0830	0.000	1	106.1557	0.110	3	105.6053	1.386	67	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HH)(H){2|C<3>,2|O<1>,2|O<2>,3|C<4>,8|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	105.8670	0.000	1	106.1557	0.110	3	105.6053	1.386	67	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HH)(H){12|H<1>,1|C<3>,2|C<4>,4|O<2>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	104.9800	0.000	1	104.9800	0.000	1	105.6053	1.386	67	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){10|H<1>,1|O<2>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	105.8960	0.000	1	105.8960	0.000	1	105.6053	1.386	67	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	105.9600	0.000	1	105.7600	0.080	2	105.6053	1.386	67	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,6|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	105.5600	0.000	1	105.7600	0.080	2	105.6053	1.386	67	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	105.3150	0.000	1	107.6980	11.357	2	105.6053	1.386	67	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,9|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	110.0810	0.000	1	107.6980	11.357	2	105.6053	1.386	67	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,5|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	105.0370	0.000	1	105.0370	0.000	1	105.6053	1.386	67	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]O)(C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6,6]C[5,6,6]C[6]H)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]O)(C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H){2|C<3>,7|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6,6]C[5,6,6]C[6]H)(H)2{2|N<3>,2|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	106.7960	0.000	1	106.7960	0.000	1	106.7960	0.000	1	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:B[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2H)(C[6]B[6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(B[6]C[6a]2O[6])(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]B[6]HH)(C[6]C[6]HH)(H){1|P<4>,2|H<1>,2|O<2>,4|C<3>}	C[6](C[6,6]C[5,6,6]C[6]H)(B[6]C[6a]2O[6])(H)2{2|C<4>,3|H<1>,5|C<3>}	H(C[6,6]C[5,6,6]C[6]2)	107.5500	0.000	1	107.5500	0.000	1	107.5500	0.000	1	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]O[5]O)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){3|C<3>,3|H<1>,3|O<2>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]O[5]O)(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	108.0555	0.251	2	108.0555	0.063	2	108.0555	0.063	2	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6,6]HH)2(H)	C[6](C[6,6]C[5,6,6]C[3,6]C)(C[6,6]C[5,6,6]C[6]H)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6,6]HH)2(H){2|C<3>,7|C<4>}	C[6](C[6,6]C[5,6,6]C[3,6]C)(C[6,6]C[5,6,6]C[6]H)(H)2{1|O<2>,2|N<3>,3|C<4>,5|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	107.7830	0.000	1	107.7830	0.000	1	107.3817	0.294	3	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6,6]HH)2(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]2)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6,6]HH)2(H){2|C<3>,7|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]2)(H)2{1|O<2>,2|N<3>,3|C<4>,8|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	107.5970	0.000	1	107.5970	0.000	1	107.3817	0.294	3	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]O)(C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]2)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]O)(C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H){2|C<3>,7|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]2)(H)2{2|N<3>,2|O<2>,3|C<4>,7|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	106.7650	0.000	1	106.7650	0.000	1	107.3817	0.294	3	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	108.1530	0.000	1	108.1530	0.000	1	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	105.6480	0.000	1	105.6480	0.000	1	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	106.9833	0.078	3	106.9833	0.006	3	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	104.7120	0.112	2	104.7120	0.012	2	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	106.3180	0.044	2	106.3180	0.002	2	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	107.6420	0.000	1	107.6420	0.000	1	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	106.6375	0.648	2	106.6375	0.420	2	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|O<2>,2|C<3>,5|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	106.2160	0.000	1	105.8470	0.272	2	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|O<2>,2|C<3>,5|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	105.4780	0.000	1	105.8470	0.272	2	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,3|O<2>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2{1|O<2>,2|C<3>,5|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	105.5690	0.000	1	105.5690	0.000	1	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,8|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	104.7763	0.046	3	104.7763	0.002	3	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(C[6]N[6]CO)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(C[6]N[6]CO)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|C<3>}	H(C[6,6]C[5,6,6]C[6]2)	103.7880	0.000	1	103.7880	0.000	1	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	107.0630	0.000	1	107.0630	0.000	1	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){3|C<3>,3|H<1>,3|O<2>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	108.0465	0.248	2	108.0465	0.062	2	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2H)(C[6]B[6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]P[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]B[6]HH)(C[6]C[6]HH)(H){1|P<4>,2|H<1>,2|O<2>,4|C<3>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]P[6]HH)(H)2{1|B<4>,1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	107.5350	0.000	1	107.5350	0.000	1	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	106.9040	0.071	2	106.9040	0.005	2	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	109.4295	0.207	2	109.4295	0.043	2	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	107.0830	0.000	1	107.0830	0.000	1	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	107.1490	0.008	2	107.1490	0.000	2	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	104.5600	0.000	1	104.5990	0.173	3	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	105.0330	0.000	1	104.5990	0.173	3	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	104.2040	0.000	1	104.5990	0.173	3	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>,4|O<2>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	107.3790	0.000	1	106.9490	0.370	2	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	106.5190	0.000	1	106.9490	0.370	2	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	106.3300	0.000	1	106.4716	0.537	7	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	106.3310	0.000	1	106.4716	0.537	7	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,9|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	106.2660	0.000	1	106.4716	0.537	7	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,9|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	106.2790	0.000	1	106.4716	0.537	7	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,2|O<1>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	107.2710	0.000	1	106.4716	0.537	7	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,2|O<1>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	107.5200	0.000	1	106.4716	0.537	7	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H){1|C<3>,2|O<1>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	105.3040	0.000	1	106.4716	0.537	7	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,2|N<3>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>,3|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	106.7680	0.000	1	106.7680	0.000	1	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]O[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]O[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	104.6530	0.000	1	104.6530	0.000	1	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	107.6880	0.000	1	107.6745	0.000	2	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	107.6610	0.000	1	107.6745	0.000	2	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HO)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)2(H){2|O<2>,3|C<4>,8|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HO)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	107.8510	0.000	1	107.8510	0.000	1	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)2(H){2|O<2>,3|C<4>,8|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	107.8800	0.000	1	107.8800	0.000	1	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,8|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	106.3775	0.315	2	106.3775	0.099	2	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	104.5860	0.000	1	104.5860	0.000	1	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	106.8830	0.000	1	106.8830	0.000	1	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	107.8670	0.000	1	107.8670	0.000	1	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]HH)(C[6]N[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	106.4720	0.000	1	106.4720	0.000	1	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]C[6]HH)2(H){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	107.5740	0.045	4	107.5740	0.002	4	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[6,6a]C[5,6]O[5])(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[6,6a]C[5,6]O[5])(C[6]C[6]HH)(C[6]O[6]CC)(H){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,3|O<2>,4|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	105.2700	0.379	2	105.2700	0.144	2	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	107.4490	0.561	2	107.4490	0.315	2	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)2(H){1|O<2>,3|C<3>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	106.7130	0.000	1	106.5223	0.027	3	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)2(H){4|C<4>,8|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|N<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	106.4320	0.000	1	106.5223	0.027	3	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)2(H){4|C<4>,8|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	106.4220	0.000	1	106.5223	0.027	3	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]N[5,6]C[6]O[5])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]N[5,6]C[6]O[5])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	107.5390	0.000	1	107.5390	0.000	1	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2{2|H<1>,3|C<4>,3|O<2>}	H(C[6,6]C[5,6,6]C[6]2)	106.7960	0.218	2	106.7960	0.047	2	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)2(H){3|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	107.8880	0.000	1	107.8880	0.000	1	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)2(H){3|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	107.8940	0.000	1	107.8940	0.000	1	106.6303	1.457	70	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]CH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]HH)(C[6]N[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	106.4400	0.000	1	106.4400	0.000	1	107.6350	1.091	3	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]N[6]HH)2(H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]CH)(H)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]N[6]HH)2(H){6|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]CH)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	108.2325	0.199	2	108.2325	0.039	2	107.6350	1.091	3	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]CH)(H)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6]N[6])	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]N[6])	108.6855	0.343	2	108.6855	0.118	2	106.6630	5.495	4	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]CH)(H)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[5,6,6]C[6]N[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]CH)(H){1|C<3>,5|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]CH)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[5,6,6]C[6]N[6])	104.6405	0.080	2	104.6405	0.006	2	106.6630	5.495	4	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:Cl-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]ClH)(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(Cl)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]ClH)(H){1|C<3>,1|O<2>,4|H<1>,7|C<4>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(Cl)(H){2|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.9420	0.000	1	108.9420	0.000	1	108.9420	0.000	1	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.6613	0.317	3	109.6718	0.068	4	109.0508	1.979	5	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.7030	0.000	1	109.6718	0.068	4	109.0508	1.979	5	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H){1|C<3>,2|O<2>,4|H<1>,6|C<4>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.5670	0.000	1	106.5670	0.000	1	109.0508	1.979	5	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[5,6]C[6,6]H)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H){1|C<3>,1|N<2>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[5,6]C[6,6]H)(H)2{3|C<3>,6|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.9420	0.000	1	105.9420	0.000	1	105.9420	0.000	1	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,5,6]C[5]C)(C[6,6]C[5,6]2H)(C[6]C[5,6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[5]H)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,5,6]C[5]C)(C[6,6]C[5,6]2H)(C[6]C[5,6]HH)(H){2|C<3>,3|C<4>,3|O<2>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[5]H)(H)2{1|C<3>,3|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.2610	0.000	1	106.2610	0.000	1	106.1560	0.011	3	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]O[5,6]C[5]C)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]O[5,6]C[5]C)(H)2{3|H<1>,6|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.1035	0.080	2	106.1035	0.006	2	106.1560	0.011	3	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.7030	0.068	2	106.2336	0.537	8	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.0370	0.000	1	106.2336	0.537	8	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.8852	0.718	5	106.2336	0.537	8	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HO)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HO)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.5120	0.000	1	107.0903	0.270	3	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HO)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.2400	0.000	1	107.0903	0.270	3	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HO)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HO)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.5190	0.000	1	107.0903	0.270	3	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(H){1|O<2>,6|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.8950	0.000	1	105.8950	0.000	1	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[4x6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[4x6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.7090	0.000	1	106.7090	0.000	1	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.4050	0.132	2	108.4074	1.644	5	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.7423	1.273	3	108.4074	1.644	5	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,5]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,5]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.3220	0.000	1	107.3220	0.000	1	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.4880	0.000	1	106.4880	0.000	1	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){3|C<4>,3|O<2>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	104.8610	0.000	1	104.8610	0.000	1	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|N<3>,4|C<4>,8|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.8010	0.000	1	106.8010	0.000	1	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	104.6400	0.000	1	105.2413	0.655	6	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	104.9070	0.000	1	105.2413	0.655	6	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.4753	0.928	4	105.2413	0.655	6	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	104.9050	0.000	1	105.0087	0.025	4	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|O<2>,4|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.2410	0.000	1	105.0087	0.025	4	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	104.9445	0.035	2	105.0087	0.025	4	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HO)(H)2{1|C<3>,7|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	104.9170	0.000	1	104.9170	0.000	1	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.8603	0.294	7	106.9077	0.071	10	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.8280	0.000	1	106.9077	0.071	10	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.1135	0.095	2	106.9077	0.071	10	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H){1|C<2>,1|C<3>,1|N<2>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.1030	0.000	1	107.1030	0.000	1	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[4x6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[4x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.6585	0.269	2	108.6585	0.073	2	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,5,6]HO)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,5,6]HO)(H)2{2|H<1>,6|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.5610	0.790	5	108.5610	0.623	5	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.5740	0.000	1	108.5740	0.000	1	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.2192	1.110	10	107.0266	0.723	18	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.9527	0.167	4	107.0266	0.723	18	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|H<1>,8|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.6190	0.134	4	107.0266	0.723	18	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|F<1>,1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.3265	0.460	2	108.8824	1.045	10	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|F<1>,1|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.9889	1.181	7	108.8824	1.045	10	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H){1|O<2>,3|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|F<1>,1|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.2490	0.000	1	108.8824	1.045	10	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.7030	0.000	1	108.7030	0.000	1	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]CH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.1250	0.052	2	109.1987	0.018	3	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]CH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.3460	0.000	1	109.1987	0.018	3	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]ClH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]ClH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.7220	0.000	1	108.7183	0.020	3	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]ClH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,5|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]ClH)(H)2{1|Cl<1>,2|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.8590	0.000	1	108.7183	0.020	3	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]ClH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,5|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]ClH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.5740	0.000	1	108.7183	0.020	3	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]FH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|F<1>,1|O<2>,4|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]FH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.1710	0.000	1	109.1710	0.000	1	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.1540	0.361	7	108.5526	0.636	334	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.8960	0.000	1	108.5526	0.636	334	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.1696	0.557	10	108.5526	0.636	334	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.0700	0.000	1	108.5526	0.636	334	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.5390	0.000	1	108.5526	0.636	334	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.8534	0.738	15	108.5526	0.636	334	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.9078	0.490	36	108.5526	0.636	334	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.3848	0.560	6	108.5526	0.636	334	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|N<2>,2|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.6720	0.000	1	108.5526	0.636	334	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|N<3>,2|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.6070	0.000	1	108.5526	0.636	334	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.6310	0.410	2	108.5526	0.636	334	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.2950	0.000	1	108.5526	0.636	334	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.2969	0.600	52	108.5526	0.636	334	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|N<2>,3|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.2730	0.000	1	108.5526	0.636	334	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[5,6]C[6,6]C[6])	104.5920	0.000	1	108.5526	0.636	334	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.6335	0.501	2	108.5526	0.636	334	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.9830	0.000	1	108.5526	0.636	334	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.7987	1.080	7	108.5526	0.636	334	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.5930	0.000	1	108.5526	0.636	334	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,2|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.1850	0.000	1	108.5526	0.636	334	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.0610	0.000	1	108.5526	0.636	334	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.5420	0.262	2	108.5526	0.636	334	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.4420	0.000	1	108.5526	0.636	334	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.5025	0.742	17	108.5526	0.636	334	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.4720	0.132	6	108.5526	0.636	334	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.9694	0.403	9	108.5526	0.636	334	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<4>,4|C<3>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.9340	0.000	1	108.5526	0.636	334	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.8970	0.000	1	108.5526	0.636	334	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.0080	0.000	1	108.5526	0.636	334	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.3504	0.147	5	108.5526	0.636	334	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.7123	0.492	3	108.5526	0.636	334	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.2695	0.954	2	108.5526	0.636	334	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.2176	0.237	5	108.5526	0.636	334	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.6112	0.884	132	108.5526	0.636	334	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HN)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|N<3>,5|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HN)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.6440	0.000	1	108.6440	0.000	1	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.7857	0.358	3	108.7523	0.175	18	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|Cl<1>,2|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.4080	0.089	2	108.7523	0.175	18	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|N<3>,2|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.5430	0.000	1	108.7523	0.175	18	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.6830	0.000	1	108.7523	0.175	18	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.2020	0.000	1	108.7523	0.175	18	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.1170	0.000	1	108.7523	0.175	18	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.0100	0.574	5	108.7523	0.175	18	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.6933	0.326	4	108.7523	0.175	18	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	104.6440	0.000	1	104.6440	0.000	1	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.4560	0.000	1	109.4560	0.000	1	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.6457	0.113	4	108.6806	0.079	7	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.1500	0.000	1	108.6806	0.079	7	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.2360	0.000	1	108.6806	0.079	7	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.7950	0.000	1	108.6806	0.079	7	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]O[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]O[6]2H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.7330	0.000	1	107.7330	0.000	1	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[4x6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[4x6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.2330	0.000	1	107.2330	0.000	1	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.6240	0.389	2	107.2255	1.096	20	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.4630	0.000	1	107.2255	1.096	20	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.2535	0.180	2	107.2255	1.096	20	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.1440	0.000	1	107.2255	1.096	20	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.7580	0.000	1	107.2255	1.096	20	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.6855	1.831	2	107.2255	1.096	20	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.2745	1.258	11	107.2255	1.096	20	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6]S[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6]S[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|S<2>,2|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.5950	0.000	1	106.5950	0.000	1	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|N<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|C<3>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.3180	0.000	1	105.3180	0.000	1	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6a]C[5,6]O)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6a]C[5,6]O)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.7660	0.000	1	105.7660	0.000	1	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5]O[5]O[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5]O[5]O[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.7840	0.000	1	107.7840	0.000	1	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{2|C<4>,2|H<1>,4|O<2>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.0425	0.146	2	108.0425	0.021	2	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.2010	0.000	1	109.2010	0.000	1	108.2407	1.239	479	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:O-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)(O)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){6|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)(O){3|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.5310	0.000	2	107.5310	0.000	2	107.5310	0.000	2	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[5x6]C[3x6]2C[6,6])(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6](C[6,6]C[5x6]C[6]H)(C[6]O[6]HH)(H)2	H(C[6,6]C[5x6]C[6]2)	C[6,6](C[5x6]C[3x6]2C[6,6])(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[5x6]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[5x6]C[6]2)	110.5220	0.000	1	110.5220	0.000	1	110.5220	0.000	1	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[3x6]C[6,6]2O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[3x6]C[6,6]2O)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6,6]C[3x6]C[6,6]C[6])	106.0105	0.614	2	106.0105	0.378	2	106.8343	2.225	3	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]O)(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]O)(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){3|C<3>,3|H<1>,5|C<4>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]C[6])	108.4820	0.000	1	108.4820	0.000	1	106.8343	2.225	3	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[4,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[4,6]C[4,6]C[4]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[4,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[4,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6a]C[6]C)(C[4,6]C[4,6]C[4]C)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]C[4,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{3|C<3>,4|C<4>}	H(C[6,6]C[4,6]C[6,6]C[6])	105.7070	0.000	1	105.7070	0.000	1	105.7070	0.000	1	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2C)(C[6]C[6]HH)(H){2|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|S<2>,6|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	106.9590	0.000	1	106.9590	0.000	1	106.9590	0.000	1	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[5,6]C[6,6]H)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[5,6]C[6,6]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.5085	0.118	2	107.5085	0.014	2	107.2720	0.175	3	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6,6]S[5]H)(C[6,6]C[5,6]C[6,6]H)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H){1|C<3>,1|S<2>,5|H<1>,6|C<4>}	C[6](C[5,6]C[5,6,6]S[5]H)(C[6,6]C[5,6]C[6,6]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.7990	0.000	1	106.7990	0.000	1	107.2720	0.175	3	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.9000	0.000	1	108.9000	0.000	1	108.1263	1.000	146	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[5a,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|S<2>,2|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.8770	0.000	1	107.8770	0.000	1	108.1263	1.000	146	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6]C)(C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5a,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[5a,6]C[6]C)(C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5a,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|S<2>,3|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.5695	0.091	2	106.5695	0.008	2	108.1263	1.000	146	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5a,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5a,6]HH)(H)2{1|C<2>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.4890	0.000	1	108.4890	0.000	1	108.1263	1.000	146	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]Br)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]Br)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|Br<1>,1|C<3>,1|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.7000	0.000	1	107.5125	0.070	2	108.1263	1.000	146	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]Br)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]Br)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|Br<1>,1|C<3>,1|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.3250	0.000	1	107.5125	0.070	2	108.1263	1.000	146	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|Cl<1>,2|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.3030	0.000	1	107.4897	0.045	7	108.1263	1.000	146	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.5208	0.215	6	107.4897	0.045	7	108.1263	1.000	146	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	104.7360	0.000	1	104.7360	0.000	1	108.1263	1.000	146	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|O<2>,4|C<3>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.5380	0.000	1	105.3720	0.055	2	108.1263	1.000	146	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|O<2>,4|C<3>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.2060	0.000	1	105.3720	0.055	2	108.1263	1.000	146	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,3|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.6255	0.108	2	106.6255	0.012	2	108.1263	1.000	146	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.1334	0.972	85	108.3149	0.776	124	108.1263	1.000	146	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<4>,4|C<3>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.9942	0.345	10	108.3149	0.776	124	108.1263	1.000	146	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.6127	0.425	29	108.3149	0.776	124	108.1263	1.000	146	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.9315	0.332	2	106.9370	0.055	3	108.1263	1.000	146	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.9480	0.000	1	106.9370	0.055	3	108.1263	1.000	146	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6,6]HH)(H)	C[6](C[5,6,6]C[3,5,6]O[5,6]O[6])(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6,6]HH)(H){3|O<2>,5|C<4>,5|H<1>}	C[6](C[5,6,6]C[3,5,6]O[5,6]O[6])(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|O<2>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	107.0540	0.000	1	107.0540	0.000	1	107.0540	0.000	1	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H){2|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|O<2>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	103.9150	0.000	1	103.9150	0.000	1	105.8508	2.110	12	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]O[5]2)(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H){2|O<2>,5|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]2)(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,8|C<4>}	H(C[6,6]C[6,6]2C[6])	107.1390	0.000	1	107.1390	0.000	1	105.8508	2.110	12	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6,6]CH)(C[6]C[5,6]HH)(H)	C[6](C[5,6]O[5,6]C[5a]O[5])(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6,6]CH)(C[6]C[5,6]HH)(H){1|C<3>,3|C<4>,3|H<1>,3|O<2>}	C[6](C[5,6]O[5,6]C[5a]O[5])(C[6,6]C[6,6]2H)(H)2{1|H<1>,2|C<3>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	107.8820	0.000	1	107.8820	0.000	1	105.8508	2.110	12	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[5,6]HH)(H){2|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]2H)(H)2{1|C<3>,8|C<4>}	H(C[6,6]C[6,6]2C[6])	105.4720	0.000	1	105.4720	0.000	1	105.8508	2.110	12	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){1|C<3>,2|H<1>,4|C<4>,6|O<2>}	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	107.2635	0.083	2	107.2635	0.007	2	105.8508	2.110	12	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]2H)(H)2{2|C<3>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	105.0650	0.000	1	105.0650	0.000	1	105.8508	2.110	12	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[5,6]HH)(H){2|O<2>,5|H<1>,6|C<4>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]2H)(H)2{1|H<1>,8|C<4>}	H(C[6,6]C[6,6]2C[6])	104.6535	0.216	4	104.6535	0.047	4	105.8508	2.110	12	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){2|O<2>,4|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2H)(H)2{4|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	107.5960	0.000	1	107.5960	0.000	1	105.8508	2.110	12	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(H){5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2{1|H<1>,2|O<2>,8|C<4>}	H(C[6,6]C[6,6]2C[6])	104.7960	0.000	1	104.7960	0.000	1	105.5873	1.465	4	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6,6]HH)(H){4|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	105.0810	0.062	2	105.0810	0.004	2	105.5873	1.465	4	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]O)2(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]O)2(C[6]C[6,6]HH)(H){3|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]2H)(H)2{1|H<1>,1|O<1>,2|O<2>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	107.3910	0.000	1	107.3910	0.000	1	105.5873	1.465	4	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:F-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]FH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(F)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]FH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(F)(H){2|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	106.2270	0.000	1	106.2270	0.000	1	106.2270	0.000	1	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.0540	0.000	1	104.2812	0.132	4	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.5590	0.287	2	104.2812	0.132	4	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{3|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	103.9530	0.000	1	104.2812	0.132	4	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.1440	0.000	1	104.1440	0.000	1	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	107.5570	0.000	1	106.2424	1.214	5	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	107.2990	0.000	1	106.2424	1.214	5	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,1|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.1500	0.000	1	106.2424	1.214	5	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.5990	0.000	1	106.2424	1.214	5	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	105.6070	0.000	1	106.2424	1.214	5	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	107.7140	0.000	1	107.7140	0.000	1	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.1570	0.000	1	104.8475	0.161	6	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	105.0770	0.149	4	104.8475	0.161	6	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){3|O<2>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{8|C<4>}	H(C[6,6]C[6,6]2C[6])	104.6200	0.000	1	104.8475	0.161	6	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,3|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2{1|C<3>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.9330	0.000	1	104.9330	0.000	1	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[3,6,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.5030	0.000	1	106.5030	0.000	1	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.7880	0.000	1	106.5220	0.653	4	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	107.3380	0.000	1	106.5220	0.653	4	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.4810	0.867	2	106.5220	0.653	4	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.2700	0.000	1	106.3365	0.003	4	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.3310	0.000	2	106.3365	0.003	4	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.4140	0.000	1	106.3365	0.003	4	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4x6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[3x6]ClH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[4x6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|Cl<1>,1|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[3x6]ClH)(H)2{8|C<4>}	H(C[6,6]C[6,6]2C[6])	104.0220	0.000	1	104.0220	0.000	1	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4x6]C[6]H)(C[6,6]O[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[4x6]C[6]H)(C[6,6]O[6]2H)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	106.0900	0.000	1	106.0900	0.000	1	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.7700	0.000	1	106.7700	0.000	1	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,5,6]HO)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,5,6]HO)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.5450	0.000	1	106.5450	0.000	1	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,2|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	104.0460	0.000	1	102.8280	2.967	2	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){3|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	101.6100	0.000	1	102.8280	2.967	2	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	107.5740	0.000	1	107.5740	0.000	1	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]BrH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]BrH)(C[6]C[6]HH)(H){1|Br<1>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|Br<1>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	108.8640	0.000	1	108.8640	0.000	1	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]O[6]C)(C[6,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6,6]O[6]C)(C[6,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	106.5310	0.000	1	106.5310	0.000	1	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.4896	0.148	5	104.7486	0.380	23	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	105.3010	0.000	1	104.7486	0.380	23	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.9750	0.000	1	104.7486	0.380	23	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{3|C<4>,4|C<3>}	H(C[6,6]C[6,6]2C[6])	105.1680	0.000	1	104.7486	0.380	23	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.7977	0.441	3	104.7486	0.380	23	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.2430	0.000	1	104.7486	0.380	23	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.9340	0.000	1	104.7486	0.380	23	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|O<1>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{3|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	107.0880	0.000	1	104.7486	0.380	23	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.4074	0.163	9	104.7486	0.380	23	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.5549	0.398	21	104.5549	0.159	21	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.2860	0.000	1	106.2860	0.000	1	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.2230	0.025	2	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	H(C[6,6]C[6,6]2C[6])	106.7060	0.000	1	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.8847	0.568	3	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.3760	0.000	1	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.1470	0.290	2	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.9925	0.220	2	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.0183	0.350	6	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.0607	0.235	3	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.5035	0.507	2	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|S<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.9206	0.385	5	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|S<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.9530	0.000	1	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	108.2710	0.000	1	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.4110	0.000	1	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.1412	0.454	142	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.9760	0.361	41	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.8821	0.226	8	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	105.9011	0.390	41	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	107.5530	0.000	1	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|Cl<1>,5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.5855	0.057	2	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|Cl<1>,5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.6750	0.000	1	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|N<2>,5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.3790	0.000	1	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|N<3>,4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	105.9380	0.000	1	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|N<3>,5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.3295	0.227	2	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,2|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	106.4470	0.016	2	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.2550	0.174	7	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|O<1>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	105.3270	0.000	1	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.1040	0.086	2	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.3676	0.243	5	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.4625	0.198	6	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.5688	0.382	23	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	105.6665	0.568	2	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	106.5690	0.064	2	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.1344	0.354	14	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	106.5380	0.389	3	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.4374	0.232	10	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.1626	0.375	7	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.0528	0.104	5	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.5570	0.000	1	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	H(C[6,6]C[6,6]2C[6])	105.5220	0.000	1	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.7070	0.000	1	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	106.3310	0.000	1	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	107.1010	0.000	1	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.7120	1.151	2	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){3|O<2>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	107.0700	0.000	1	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.0443	0.619	44	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.1555	1.143	72	106.1469	0.387	483	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HN)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|N<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HN)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	107.0700	0.000	2	107.0700	0.000	2	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.3570	0.000	1	106.4993	1.726	132	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.1800	0.000	1	106.4993	1.726	132	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.7770	0.081	2	106.4993	1.726	132	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.2780	0.000	1	106.4993	1.726	132	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.6420	0.642	2	106.4993	1.726	132	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.5680	0.000	2	106.4993	1.726	132	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	105.6160	0.000	1	106.4993	1.726	132	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.4835	0.045	2	106.4993	1.726	132	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.0748	0.538	26	106.4993	1.726	132	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.6446	1.500	94	106.4993	1.726	132	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.5272	2.512	16	106.7220	4.458	23	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	106.6065	0.243	2	106.7220	4.458	23	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	107.0720	0.000	1	106.7220	4.458	23	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	107.0190	0.000	1	106.7220	4.458	23	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	107.7540	0.000	1	106.7220	4.458	23	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	107.5570	0.225	2	106.7220	4.458	23	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]N)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]N)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	106.7830	0.000	1	106.7830	0.000	1	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.5340	0.000	1	106.4135	0.029	2	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.2930	0.000	1	106.4135	0.029	2	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]N)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]N)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	104.9843	0.238	3	104.9843	0.057	3	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5a,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.1675	3.731	2	106.1675	13.923	2	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6,6a]O[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6,6a]O[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>,3|O<2>}	H(C[6,6]C[6,6]2C[6])	107.9630	0.000	1	107.9630	0.000	1	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.0577	0.244	4	106.5514	0.749	10	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.1300	0.000	1	106.5514	0.749	10	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.6590	0.000	1	106.5514	0.749	10	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	108.8140	0.000	1	106.5514	0.749	10	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.8890	0.000	1	106.5514	0.749	10	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.1520	0.000	1	106.5514	0.749	10	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.6390	0.000	1	106.5514	0.749	10	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[3,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[3,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.2660	0.000	1	104.2660	0.000	1	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.7207	0.253	4	105.7643	0.797	8	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{2|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	103.8340	0.000	1	105.7643	0.797	8	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.6340	0.078	2	105.7643	0.797	8	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{2|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.1290	0.000	1	105.7643	0.797	8	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,8|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.4194	0.584	8	104.6017	0.228	27	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,3|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	104.9000	0.000	1	104.6017	0.228	27	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	104.3810	0.178	3	104.6017	0.228	27	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|N<2>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.9540	0.000	1	104.6017	0.228	27	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,8|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.3150	0.230	5	104.6017	0.228	27	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.0815	0.094	2	104.6017	0.228	27	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	104.7730	0.000	1	104.6017	0.228	27	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.2085	0.414	2	104.6017	0.228	27	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|O<1>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	104.8260	0.000	1	104.6017	0.228	27	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|O<2>,3|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.4080	0.000	1	104.6017	0.228	27	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.2810	0.000	1	104.6017	0.228	27	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.4510	0.000	1	104.6017	0.228	27	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	106.7380	0.000	1	106.5087	0.104	9	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.3600	0.085	2	106.5087	0.104	9	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.4260	0.000	1	106.5087	0.104	9	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.4288	0.397	4	106.5087	0.104	9	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.9790	0.000	1	106.5087	0.104	9	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	106.6830	0.000	2	106.6830	0.000	2	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]O[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]O[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	107.3440	0.000	1	107.3440	0.000	1	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2O)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	105.6965	0.230	2	105.6965	0.053	2	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.6815	0.169	2	104.6815	0.029	2	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.5940	0.000	1	105.3752	2.003	4	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.3070	0.040	2	105.3752	2.003	4	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	107.2930	0.000	1	105.3752	2.003	4	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.9200	0.011	2	104.9200	0.000	2	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6,6]HO)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6,6]HO)(H)2{1|O<2>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.7180	0.132	2	104.7180	0.017	2	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.4930	0.234	4	104.7205	0.108	40	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.0110	0.000	1	104.7205	0.108	40	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.4940	0.000	1	104.7205	0.108	40	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.5677	0.073	3	104.7205	0.108	40	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.6810	0.000	1	104.7205	0.108	40	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.7806	0.357	28	104.7205	0.108	40	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{8|C<4>}	H(C[6,6]C[6,6]2C[6])	104.5510	0.161	2	104.7205	0.108	40	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2{1|C<3>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.2030	0.000	1	106.5270	6.045	4	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2{8|C<4>}	H(C[6,6]C[6,6]2C[6])	107.3017	2.338	3	106.5270	6.045	4	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2Br)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2Br)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]2C[6])	107.4455	0.218	2	107.4455	0.048	2	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	106.7310	0.000	1	106.6545	0.012	2	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	106.5780	0.000	1	106.6545	0.012	2	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]2C[6])	106.5820	0.000	1	106.5263	0.121	4	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]2C[6])	106.5077	0.424	3	106.5263	0.121	4	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	106.4310	0.000	1	106.4310	0.000	1	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]FH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|F<1>,1|N<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]FH)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.6210	0.000	1	106.6210	0.000	1	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.7960	0.000	1	106.7537	0.053	3	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.9590	0.000	1	106.7537	0.053	3	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.5060	0.000	1	106.7537	0.053	3	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]N[5a]C[6]H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]N[5a]C[6]H)(H)2{1|H<1>,1|N<2>,1|O<2>,2|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.1940	0.000	1	105.1940	0.000	1	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5a]O[6]H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5a]O[6]H)(H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]2C[6])	109.0800	0.000	1	109.0800	0.000	1	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	106.3565	0.839	2	107.2382	1.894	4	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){4|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	108.1200	1.366	2	107.2382	1.894	4	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]2C[6])	105.5600	0.000	1	105.5600	0.000	1	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	107.4320	0.000	1	107.4320	0.000	1	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	105.4930	0.000	1	105.6715	0.064	2	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]C)(C[6]C[6]HH)(H){5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	105.8500	0.000	1	105.6715	0.064	2	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.1180	0.000	1	106.1180	0.000	1	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	106.3730	0.000	1	106.7137	0.123	3	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	106.8840	0.269	2	106.7137	0.123	3	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	106.8250	0.000	1	106.8250	0.000	1	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|C<3>,1|N<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	108.1600	0.000	1	107.9257	0.950	10	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	108.5930	0.000	1	107.9257	0.950	10	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	107.2320	0.000	1	107.9257	0.950	10	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|N<3>,2|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	108.0550	0.320	2	107.9257	0.950	10	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	108.8440	0.000	1	107.9257	0.950	10	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|O<2>,6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	108.1810	0.000	1	107.9257	0.950	10	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	107.2120	2.338	2	107.9257	0.950	10	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	107.7130	0.000	1	107.9257	0.950	10	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	107.5800	0.000	1	107.5210	0.007	2	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|O<2>,2|O<1>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	107.4620	0.000	1	107.5210	0.007	2	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>,3|O<2>}	H(C[6,6]C[6,6]2C[6])	105.9920	0.000	1	105.9920	0.000	1	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]CH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<2>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]CH)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.4050	0.000	1	106.4050	0.000	1	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2{3|C<3>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	105.5320	0.000	1	104.7151	0.463	14	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	104.7175	0.964	6	104.7151	0.463	14	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	104.8875	0.260	2	104.7151	0.463	14	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	104.4798	0.272	5	104.7151	0.463	14	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HO)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HO)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	104.7820	0.000	1	104.7820	0.000	1	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]2C[6])	108.1130	0.000	1	108.0307	0.050	8	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	107.8490	0.147	2	108.0307	0.050	8	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<4>,4|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	108.0870	0.245	5	108.0307	0.050	8	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|S<2>,3|H<1>}	H(C[6,6]C[6,6]2C[6])	106.8220	0.000	1	106.8220	0.000	1	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	107.4630	0.000	1	107.4630	0.000	1	106.0439	1.208	911	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|N<4>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.4970	0.000	1	104.4970	0.000	1	107.3244	1.878	77	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6](N[6,6]C[6,6]C[6]Cu)(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Cu<4>,3|H<1>,5|C<4>}	C[6](N[6,6]C[6,6]C[6]Cu)(C[6,6]C[6,6]2H)(H)2{1|N<4>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.3835	0.953	6	107.7920	0.980	10	107.3244	1.878	77	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6](N[6,6]C[6,6]C[6]Cu)(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Cu<5>,3|H<1>,5|C<4>}	C[6](N[6,6]C[6,6]C[6]Cu)(C[6,6]C[6,6]2H)(H)2{1|N<4>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	108.4047	0.769	4	107.7920	0.980	10	107.3244	1.878	77	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){4|H<1>,5|C<4>}	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2{1|N<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	108.1457	0.096	6	108.0153	0.065	9	107.3244	1.878	77	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){5|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2{1|N<4>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.7547	0.290	3	108.0153	0.065	9	107.3244	1.878	77	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6](N[6,6]C[6,6]C[6]Hg)(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Hg<4>,3|H<1>,5|C<4>}	C[6](N[6,6]C[6,6]C[6]Hg)(C[6,6]C[6,6]2H)(H)2{1|N<4>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.2920	0.150	2	107.2920	0.022	2	107.3244	1.878	77	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6](N[6,6]C[6,6]C[6]Li)(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Li<4>,3|H<1>,5|C<4>}	C[6](N[6,6]C[6,6]C[6]Li)(C[6,6]C[6,6]2H)(H)2{1|N<4>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.4185	1.073	16	107.4185	1.151	16	107.3244	1.878	77	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6](N[6,6]C[6,6]C[6]Ni)(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Ni<4>,3|H<1>,5|C<4>}	C[6](N[6,6]C[6,6]C[6]Ni)(C[6,6]C[6,6]2H)(H)2{1|N<4>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.7345	0.257	2	107.7345	0.066	2	107.3244	1.878	77	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6](N[6,6]C[6,6]C[6]Pd)(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Pd<4>,3|H<1>,5|C<4>}	C[6](N[6,6]C[6,6]C[6]Pd)(C[6,6]C[6,6]2H)(H)2{1|N<4>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.9269	1.887	28	106.9269	3.559	28	107.3244	1.878	77	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6](N[6,6]C[6,6]C[6]Rh)(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Rh<6>,3|H<1>,5|C<4>}	C[6](N[6,6]C[6,6]C[6]Rh)(C[6,6]C[6,6]2H)(H)2{1|N<4>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.1970	0.308	2	107.1970	0.095	2	107.3244	1.878	77	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6](N[6,6]C[6,6]C[6]Zn)(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Zn<4>,3|H<1>,5|C<4>}	C[6](N[6,6]C[6,6]C[6]Zn)(C[6,6]C[6,6]2H)(H)2{1|N<4>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.4747	0.219	7	107.4747	0.048	7	107.3244	1.878	77	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(C[6]C[3,5,6]HH)(C[6]C[6,6]HH)(H)	C[6](C[3,5,6]C[3,5,6,6]C[3,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]HH)(C[6]C[3,5,6]HH)(C[6]C[6,6]HH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[3,5,6]C[3,5,6,6]C[3,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2{3|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6220	0.000	1	107.6220	0.000	1	107.6220	0.000	1	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(C[6]C[3,6]HH)(C[6]C[6,6]HH)(H)	C[6](C[3,6]C[3,5,6,6]C[3,5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]HH)(C[6]C[3,6]HH)(C[6]C[6,6]HH)(H){3|H<1>,4|C<4>}	C[6](C[3,6]C[3,5,6,6]C[3,5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6350	0.000	1	107.6350	0.000	1	107.3648	1.096	15	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[3,6]HH)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,5,6,6]O[3]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[3,6]HH)(C[6]C[6]CH)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[3,6]C[3,5,6,6]O[3]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.9377	0.244	3	106.9377	0.060	3	107.3648	1.096	15	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(C[6]C[6]CC)(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.8390	0.000	1	104.8390	0.000	1	107.3648	1.096	15	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,6|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[6,6]C[6,6]C[6]H)(H)2{1|S<4>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.0740	0.000	1	107.0740	0.000	1	107.3648	1.096	15	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.1700	0.000	1	107.0675	0.021	2	107.3648	1.096	15	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.9650	0.000	1	107.0675	0.021	2	107.3648	1.096	15	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]CC)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,2|O<2>,5|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<2>,1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.4610	0.407	3	108.4610	0.166	3	107.3648	1.096	15	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.9980	0.000	1	105.9980	0.000	1	107.3648	1.096	15	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]O[6]HH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]O[6]HH)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1983	0.168	3	108.1983	0.028	3	107.3648	1.096	15	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[5,6,6]HH)(C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]I)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]N[5,6,6]HH)(C[6]C[5,6,6]HH)(C[6]C[6]HH)(H){1|H<1>,1|I<1>,1|O<2>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6]I)(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.6855	0.391	16	108.6855	0.153	16	108.6855	0.153	16	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]CC)(H){3|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2{1|O<1>,2|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.9050	0.000	1	104.9050	0.000	1	107.2313	1.795	22	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]CC)(H){1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<4>,3|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2810	0.000	1	108.2810	0.000	1	107.2313	1.795	22	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{3|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2240	0.000	1	108.2240	0.000	1	107.2313	1.795	22	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]HH)2(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]HH)2(H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2510	0.000	1	108.2510	0.000	1	107.2313	1.795	22	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]HH)2(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]HH)2(H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{3|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1560	0.000	1	108.1560	0.000	1	107.2313	1.795	22	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]CC)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,3|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.0280	0.000	1	105.0280	0.000	1	107.2313	1.795	22	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,8|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.6360	0.000	1	106.6360	0.000	1	107.2313	1.795	22	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]2C[6])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6a]2C[6])(C[6,6]C[6,6]C[6]H)(H)2{4|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6280	0.000	1	106.6280	0.000	1	107.2313	1.795	22	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.9680	0.000	1	105.9680	0.000	1	107.2313	1.795	22	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.0280	0.000	1	108.0280	0.000	1	107.2313	1.795	22	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){5|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5760	0.000	1	107.5760	0.000	1	107.2313	1.795	22	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7960	0.000	1	107.7960	0.000	1	107.2313	1.795	22	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CC)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CC)(H){1|N<3>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<2>,1|H<1>,1|O<2>,2|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.3700	0.000	1	105.3700	0.000	1	107.2313	1.795	22	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.6500	0.000	1	106.6500	0.000	1	107.2313	1.795	22	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.3995	0.134	2	107.3995	0.018	2	107.2313	1.795	22	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6,6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5460	0.000	1	108.5460	0.000	1	107.2313	1.795	22	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6,6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.2190	0.000	1	105.2190	0.000	1	107.2313	1.795	22	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.7270	0.000	1	109.7270	0.000	1	107.2313	1.795	22	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.5360	0.000	1	106.5360	0.000	1	107.2313	1.795	22	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.1070	0.000	1	109.1070	0.000	1	107.2313	1.795	22	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6570	0.000	1	107.6570	0.000	1	107.2313	1.795	22	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:B[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]B[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(B[6,6]C[6]O[6]2)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]B[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(B[6,6]C[6]O[6]2)(H)2{1|C<4>,3|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1565	0.019	2	108.1565	0.000	2	108.1565	0.000	2	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:B[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]B[6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(B[6]C[6]CO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]B[6]HH)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(B[6]C[6]CO)(H)2{2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5408	2.450	4	108.5408	6.003	4	108.5408	6.003	4	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[3,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[3,6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]2C[6])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[3,6]HH)2(H){7|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]2C[6])(H)2{2|Cl<1>,2|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2100	0.024	2	107.2100	0.001	2	107.2100	0.001	2	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[4,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[4,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[4,6]C[4]2C[6])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[4,6]HH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[4,6]C[4]2C[6])(H)2{1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6860	0.233	2	106.6860	0.054	2	106.6860	0.054	2	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[5,6]HS)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]S[5]2)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[5,6]HS)(H){1|O<2>,2|H<1>,3|S<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]S[5]2)(H)2{1|C<3>,1|S<2>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.1490	0.000	1	105.1490	0.000	1	107.1458	1.344	5	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]2)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]2)(H)2{2|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3430	0.134	2	107.3430	0.018	2	107.1458	1.344	5	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]2)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]2)(H)2{1|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0120	0.000	1	108.0120	0.000	1	107.1458	1.344	5	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]2)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]2)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8820	0.000	1	107.8820	0.000	1	107.1458	1.344	5	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(C[6]C[3,5,6]HH)(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]HH)(C[6]C[3,5,6]HH)(C[6]C[6,6]HH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)2(H)2{3|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5730	0.000	1	107.5730	0.000	1	107.3068	1.685	38	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(C[6]C[3,6]HH)(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]HH)(C[6]C[3,6]HH)(C[6]C[6,6]HH)(H){3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)2(H)2{3|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5870	0.000	1	107.5870	0.000	1	107.3068	1.685	38	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)	C[6](C[6,6]C[5,6,6]C[5a,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6,6]HH)(C[6]N[5,6]HH)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[5a,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,1|N<4>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5350	0.000	1	107.5350	0.000	1	107.3068	1.685	38	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,2|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	109.5350	0.000	1	109.5350	0.000	1	107.3068	1.685	38	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2{4|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.5220	0.000	1	105.5220	0.000	1	107.3068	1.685	38	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H){3|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|O<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.3110	0.000	1	105.3110	0.000	1	107.3068	1.685	38	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6600	0.000	1	106.6600	0.000	1	107.3068	1.685	38	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.1220	0.000	1	106.1220	0.000	1	107.3068	1.685	38	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O[6])(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O[6])(H)2{1|C<3>,1|N<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.7620	0.000	1	106.7620	0.000	1	107.3068	1.685	38	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]2)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]2)(H)2{4|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.2570	0.000	1	107.2570	0.000	1	107.3068	1.685	38	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|N<3>,2|O<2>,5|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.3000	0.000	1	107.2905	0.000	2	107.3068	1.685	38	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.2810	0.000	1	107.2905	0.000	2	107.3068	1.685	38	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H)	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,2|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.1540	0.000	1	104.1540	0.000	1	107.3068	1.685	38	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(H)2{2|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.9030	0.000	1	105.9030	0.000	1	107.3068	1.685	38	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6,6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)2(H)2{1|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.3230	0.000	1	106.3230	0.000	1	107.3068	1.685	38	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,6|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.5535	0.066	2	107.4550	0.031	3	107.3068	1.685	38	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|N<4>,1|O<2>,6|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,2|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.2580	0.000	1	107.4550	0.031	3	107.3068	1.685	38	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6](C[6,6]N[5,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,1|N<4>,1|O<2>,6|H<1>}	C[6](C[6,6]N[5,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,2|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.5120	0.154	2	107.5120	0.024	2	107.3068	1.685	38	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.0720	0.000	1	107.5633	0.181	3	107.3068	1.685	38	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.7980	0.000	1	107.5633	0.181	3	107.3068	1.685	38	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,6|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8200	0.000	1	107.5633	0.181	3	107.3068	1.685	38	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|S<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(H)2{1|N<2>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1780	0.000	1	108.1780	0.000	1	107.3068	1.685	38	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HS)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HS)(H){2|C<4>,2|O<2>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(H)2{1|S<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.9550	0.000	1	106.9550	0.000	1	107.3068	1.685	38	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HH)(C[6]C[6]HN)(H)	C[6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HH)(C[6]C[6]HN)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]H)2(H)2{1|C<4>,1|H<1>,1|N<4>,2|O<2>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	109.0000	0.000	3	109.0000	0.000	3	107.3068	1.685	38	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|B<4>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)2(H)2{1|N<4>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6825	0.433	2	107.4470	0.842	4	107.3068	1.685	38	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)2(H)2{1|N<4>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2115	0.029	2	107.4470	0.842	4	107.3068	1.685	38	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2O)(H)2{1|C<3>,1|H<1>,2|O<2>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.9320	0.174	2	104.9320	0.030	2	107.3068	1.685	38	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]O[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]O[6]CH)(H){3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2{1|H<1>,2|O<2>,8|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.3560	0.000	1	107.3560	0.000	1	107.3068	1.685	38	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]3)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]3)(H)2{1|C<4>,1|O<2>,2|C<3>,2|N<3>,2|O<1>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.2580	0.000	1	109.2050	0.002	3	107.3068	1.685	38	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]3)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H){3|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]3)(H)2{1|C<4>,1|O<2>,2|C<3>,2|N<3>,2|O<1>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.1785	0.008	2	109.2050	0.002	3	107.3068	1.685	38	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:Br-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]BrH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(Br)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]BrH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(Br)(H){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6620	0.000	1	106.6620	0.000	1	106.6620	0.000	1	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(Cl)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(Cl)(H){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.5375	1.543	4	105.5375	2.380	4	106.9331	4.223	7	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(C[6]C[6]ClH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(Cl)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(C[6]C[6]ClH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(Cl)(H){1|N<3>,2|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.7940	0.101	3	108.7940	0.010	3	106.9331	4.223	7	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,5,6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,5,6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.8207	0.265	3	104.8207	0.070	3	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.9270	0.000	1	104.9270	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.2920	0.000	1	105.2920	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|N<2>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	103.9230	0.000	1	103.9230	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.2220	0.000	1	108.2220	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)2(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.5480	0.000	1	106.5480	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)2(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4810	0.000	1	106.4810	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)2{3|O<2>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.7180	0.000	1	105.7180	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6]HH)(H){3|C<4>,3|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.4390	0.000	1	107.4390	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5]C[6]C)(C[6]C[6]HH)(H){3|O<2>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.8470	0.000	1	105.7030	1.465	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5]C[6]C)(C[6]C[6]HH)(H){3|O<2>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.5590	0.000	1	105.7030	1.465	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5]C[6]C)(C[6]C[6]HH)(H){4|H<1>,4|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.2030	0.000	1	105.2030	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.9887	0.370	3	106.9887	0.137	3	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.5150	0.000	1	106.9255	0.695	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.3360	0.000	1	106.9255	0.695	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	103.4913	0.603	3	104.4451	0.268	30	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{3|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.5808	0.062	5	104.4451	0.268	30	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.3260	0.000	1	104.4451	0.268	30	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.5220	0.000	1	104.4451	0.268	30	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{8|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.3870	0.000	1	104.4451	0.268	30	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{8|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.5930	0.130	2	104.4451	0.268	30	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.2410	0.396	6	104.4451	0.268	30	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.9141	0.274	9	104.4451	0.268	30	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{8|C<4>}	H(C[6,6]C[6,6]C[6]2)	103.9405	0.006	2	104.4451	0.268	30	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.1923	0.161	3	104.2627	0.037	4	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(H)2{8|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.4740	0.000	1	104.2627	0.037	4	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HO)(H)2{1|C<3>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.1080	0.727	2	104.1080	0.528	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3x6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3x6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.1360	0.000	1	107.1360	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4,6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[4,6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4,6,6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5110	0.853	2	107.5110	0.727	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[4,6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3935	0.142	2	107.3935	0.020	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.5060	0.000	1	108.5697	1.065	3	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1015	0.903	2	108.5697	1.065	3	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.3790	0.000	1	104.3790	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]CH)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]CH)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.6560	0.000	1	108.6560	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.6880	0.112	2	104.6880	0.012	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.2870	0.020	2	104.2870	0.000	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.5310	0.000	1	107.5310	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5480	0.000	1	107.5480	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C[6a]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C[6a]O)(H)2{2|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1700	0.000	1	108.1700	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.8050	0.000	1	107.8050	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,5,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,5,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.6790	0.000	1	104.6790	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4,5,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4,5,6]HH)(H)2{8|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.5520	0.139	3	104.5520	0.019	3	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.1645	0.016	2	105.1645	0.000	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{3|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.3380	0.000	1	104.3380	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{8|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.4550	0.000	1	104.6034	0.475	41	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.9578	0.923	5	104.6034	0.475	41	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.5653	0.288	3	104.6034	0.475	41	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<2>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.3025	0.226	2	104.6034	0.475	41	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.3192	0.359	4	104.6034	0.475	41	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.2870	0.000	1	104.6034	0.475	41	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.2410	0.089	2	104.6034	0.475	41	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.1860	0.000	1	104.6034	0.475	41	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.7990	0.462	3	104.6034	0.475	41	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.0640	0.000	2	104.6034	0.475	41	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{8|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.0930	0.000	1	104.6034	0.475	41	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.0080	0.000	1	104.6034	0.475	41	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.2120	0.000	1	104.6034	0.475	41	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.4080	0.000	1	104.6034	0.475	41	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.3930	0.455	2	104.6034	0.475	41	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|N<3>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.5720	0.000	1	104.6034	0.475	41	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.4021	0.497	9	104.6034	0.475	41	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.7410	0.000	1	104.6034	0.475	41	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(H)2{1|C<3>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.1890	0.000	1	104.1890	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.9105	0.008	2	104.9069	0.074	12	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.6140	0.000	1	104.9069	0.074	12	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.8276	0.181	9	104.9069	0.074	12	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,3|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.7890	0.000	1	104.7890	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.0670	0.000	1	106.0670	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.8905	0.600	2	106.8905	0.360	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.0750	0.389	2	106.0750	0.151	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.7385	0.180	2	105.7760	0.020	3	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)2(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.8510	0.000	1	105.7760	0.020	3	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.2870	0.000	1	106.2870	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)2(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.8860	0.000	1	105.8860	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2{1|C<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.2980	0.000	1	106.2980	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6,6]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6,6]CO)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.6943	0.434	3	106.6943	0.189	3	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.5910	0.000	1	106.2407	0.050	7	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.1997	0.228	4	106.2407	0.050	7	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.1290	0.000	1	106.2407	0.050	7	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.1660	0.000	1	106.2407	0.050	7	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2420	0.000	1	108.2420	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.6700	0.000	1	108.6700	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5150	0.000	1	107.9945	0.460	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4740	0.000	1	107.9945	0.460	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]N[5,6]H)(C[6]C[5,6]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]N[5,6]H)(C[6]C[5,6]CO)(C[6]C[6]HH)(H){1|C<3>,2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.0290	0.000	1	105.0290	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CC)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]HH)2(H){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CC)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.9825	0.503	2	108.9825	0.253	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]HH)2(H){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.9565	0.490	2	108.9565	0.240	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,1|S<2>,2|C<3>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.3970	0.000	1	106.3970	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.3170	0.088	2	106.3170	0.008	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6]O)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5a,6]C[6]O)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]CH)(H)2{1|C<3>,1|N<2>,1|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.6620	0.000	1	106.6620	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6]O)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5a,6]C[6]O)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1805	0.005	2	108.1805	0.000	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6]O)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5a,6]C[6]O)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]CH)(H)2{1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1890	0.532	2	108.1890	0.283	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]BrH)(C[6]C[6]BrH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]BrH)(C[6]C[6]BrH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|Br<1>,1|C<3>,1|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9600	0.000	1	104.9600	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2630	0.000	1	107.6222	0.222	13	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5688	0.449	12	107.6222	0.222	13	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CH)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]CH)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H){1|C<3>,2|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9495	0.153	2	107.9495	0.024	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CH)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]CH)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4310	0.081	2	107.4310	0.006	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4680	0.000	1	107.4680	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.0790	0.000	1	107.0790	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[4,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[4,6]HH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.6575	0.356	2	106.6575	0.127	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.8210	0.000	1	104.8210	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.1072	0.305	4	107.0018	0.242	8	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.0940	0.000	1	107.0018	0.242	8	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.6070	0.000	1	107.0018	0.242	8	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.4420	0.069	2	107.0018	0.242	8	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.7350	0.000	1	105.0990	0.154	5	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.0090	0.167	3	105.0990	0.154	5	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.7330	0.000	1	105.0990	0.154	5	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.9645	0.436	13	106.8894	0.118	26	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.8144	0.206	13	106.8894	0.118	26	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.7520	0.000	1	106.7082	0.184	4	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.1400	0.000	1	106.7082	0.184	4	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.7590	0.000	1	106.7082	0.184	4	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.1820	0.000	1	106.7082	0.184	4	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.9950	0.000	1	106.7620	0.109	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.5290	0.000	1	106.7620	0.109	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]BrH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]BrH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|Br<1>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.6900	0.000	1	106.6900	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.7540	0.093	2	104.7540	0.009	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3x6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3x6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	103.9230	0.044	2	104.1100	0.106	3	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3x6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3x6]HH)(H)2{8|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.4840	0.000	1	104.1100	0.106	3	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.8370	0.000	1	104.4328	0.808	35	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{3|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.0535	0.077	2	104.4328	0.808	35	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.7573	0.063	3	104.4328	0.808	35	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.0460	0.000	1	104.4328	0.808	35	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.4790	0.000	1	104.4328	0.808	35	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.4210	0.000	1	104.4328	0.808	35	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	109.1390	0.000	1	104.4328	0.808	35	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.5170	0.000	1	104.4328	0.808	35	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.1617	0.285	21	104.4328	0.808	35	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{8|C<4>}	H(C[6,6]C[6,6]C[6]2)	103.9780	0.248	3	104.4328	0.808	35	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2{2|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.2770	0.058	2	104.6596	0.538	5	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2{1|C<3>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.2540	0.000	1	104.6596	0.538	5	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2{8|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.9080	0.000	1	104.6596	0.538	5	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2{1|C<3>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	103.5820	0.000	1	104.6596	0.538	5	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CO)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.6300	0.119	2	104.6300	0.014	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|Br<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.6720	0.000	1	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.5880	0.421	3	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.7260	0.130	2	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,3|C<3>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.5690	0.000	1	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.9093	0.588	4	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.3590	0.000	1	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.4445	0.183	2	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.7747	0.776	3	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.1230	0.000	1	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.6533	2.802	3	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.8830	0.151	4	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.8050	0.000	1	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.3638	1.058	6	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.5254	0.222	14	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.8860	0.177	2	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.5675	0.251	2	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.7595	0.026	2	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.6153	0.092	3	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.8510	0.000	1	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.6240	0.148	6	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.6030	0.040	2	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.4220	0.000	1	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<2>,3|C<4>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	104.8730	0.218	2	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.9030	0.027	2	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.2810	0.115	2	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.0740	0.000	1	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.0840	0.000	1	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.9010	0.000	1	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|Cr<9>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|Cr<9>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.8370	0.000	1	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|I<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.4265	0.213	2	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|N<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.3640	0.000	1	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.9940	0.000	1	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|C<3>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.1770	0.000	1	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.3835	0.197	2	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.7099	0.520	18	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	101.7610	0.000	1	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.2950	0.000	1	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.6094	0.223	10	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.8680	0.000	1	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.5770	0.000	1	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.6060	0.554	2	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.3647	0.356	68	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.3600	0.000	1	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.9790	0.000	1	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.3817	0.431	4	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.0200	0.000	1	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.5391	0.808	12	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.6860	1.801	13	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.0750	0.000	1	104.6913	0.685	217	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|O<2>,2|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.0320	0.000	1	104.7833	0.194	20	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{2|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.5395	0.495	4	104.7833	0.194	20	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{3|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	103.9930	0.000	1	104.7833	0.194	20	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.6920	0.000	1	104.7833	0.194	20	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.7390	0.000	1	104.7833	0.194	20	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.0383	0.257	4	104.7833	0.194	20	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.6265	0.166	2	104.7833	0.194	20	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.5985	0.128	2	104.7833	0.194	20	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.6900	0.000	1	104.7833	0.194	20	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|O<2>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.2520	0.000	1	104.7833	0.194	20	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.1730	0.000	1	104.7833	0.194	20	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,3|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{8|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.3340	0.000	1	104.7833	0.194	20	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.1950	0.182	2	105.1950	0.033	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.2490	0.000	1	106.4772	0.388	6	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.2330	0.000	1	106.4772	0.388	6	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.6060	0.000	1	106.4772	0.388	6	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.5917	0.941	3	106.4772	0.388	6	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.9540	0.000	1	106.9540	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.7550	0.072	2	104.7550	0.005	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|Cl<1>,1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.3415	0.344	2	106.1295	2.354	6	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|Cl<1>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.5235	1.554	4	106.1295	2.354	6	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.3680	0.000	1	106.3680	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HN)(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|N<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.6550	0.000	1	104.6550	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.6292	1.128	5	105.6292	1.273	5	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|Br<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.6460	0.000	1	104.6460	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.0047	0.400	3	107.0047	0.160	3	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3x4]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3x4]C[6]H)(H)2{4|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.4790	0.000	1	107.4790	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.8560	0.000	1	106.8560	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.5915	0.304	4	106.5915	0.092	4	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<2>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.9205	0.518	2	106.5868	0.441	162	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.1100	0.000	1	106.5868	0.441	162	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4423	0.637	3	106.5868	0.441	162	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.7240	0.386	4	106.5868	0.441	162	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.4230	0.000	1	106.5868	0.441	162	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.6803	0.203	4	106.5868	0.441	162	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.8810	0.000	1	106.5868	0.441	162	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.5025	0.425	2	106.5868	0.441	162	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.6430	0.000	1	106.5868	0.441	162	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.1257	0.251	4	106.5868	0.441	162	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.4495	0.046	2	106.5868	0.441	162	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.1485	0.291	2	106.5868	0.441	162	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|Cl<1>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.3240	0.000	1	106.5868	0.441	162	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|N<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.7800	0.000	1	106.5868	0.441	162	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|N<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.0140	0.000	1	106.5868	0.441	162	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|N<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.6380	0.209	4	106.5868	0.441	162	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.7910	0.000	1	106.5868	0.441	162	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.5398	1.154	19	106.5868	0.441	162	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8200	0.000	1	106.5868	0.441	162	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.7020	0.000	1	106.5868	0.441	162	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.6857	0.596	86	106.5868	0.441	162	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.8622	0.515	5	106.5868	0.441	162	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|Br<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.8440	0.000	1	106.5868	0.441	162	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.4330	0.000	1	106.5868	0.441	162	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|N<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.5290	0.000	1	106.5868	0.441	162	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.2500	0.000	1	106.5868	0.441	162	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.9737	0.639	9	106.5868	0.441	162	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.5855	0.438	2	106.5868	0.441	162	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HN)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|N<3>,1|N<4>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HN)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.1400	0.000	2	106.1400	0.000	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.4790	0.000	1	106.9005	1.019	98	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.3420	0.000	1	106.9005	1.019	98	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.6083	0.160	3	106.9005	1.019	98	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.9097	1.031	93	106.9005	1.019	98	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2{1|C<3>,1|N<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.9725	0.080	2	105.9725	0.006	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Br2)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|Br<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Br2)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.7860	0.000	1	106.7860	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6160	0.337	3	106.5710	0.084	4	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4360	0.000	1	106.5710	0.084	4	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.8420	0.000	1	106.1597	0.109	3	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.5020	0.000	1	106.1597	0.109	3	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.1350	0.000	1	106.1597	0.109	3	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<2>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9515	0.524	2	106.3685	0.377	11	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6757	0.188	4	106.3685	0.377	11	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.8896	0.544	5	106.3685	0.377	11	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7840	0.000	1	106.3569	0.544	11	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6360	0.000	1	106.3569	0.544	11	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.1673	0.612	9	106.3569	0.544	11	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|N<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9740	0.000	1	106.4610	0.117	5	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|N<3>,1|N<4>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.1520	0.000	2	106.4610	0.117	5	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|N<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.5135	0.088	2	106.4610	0.117	5	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.7342	0.396	5	106.6177	1.064	202	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4020	0.000	1	106.6177	1.064	202	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.3740	0.000	1	106.6177	1.064	202	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8890	0.000	1	106.6177	1.064	202	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|Cl<1>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.3480	0.000	1	106.6177	1.064	202	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0176	0.492	5	106.6177	1.064	202	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4097	0.280	3	106.6177	1.064	202	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.3080	0.000	1	106.6177	1.064	202	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.7406	0.622	86	106.6177	1.064	202	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4568	1.331	98	106.6177	1.064	202	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]NN)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|N<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]NN)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4460	0.000	1	106.4460	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N[5]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|N<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N[5]H)(H)2{2|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.7885	0.035	2	106.7885	0.001	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SiH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|Si<4>,1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SiH)(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0570	0.000	1	108.0570	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[5]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[5]H)(C[6]C[6]HH)(H){1|O<1>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.9560	0.000	1	105.9560	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6]H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|N<3>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	103.9400	0.000	1	103.9400	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6120	0.000	1	107.6120	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.8910	0.000	1	107.1105	0.096	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.3300	0.000	1	107.1105	0.096	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.4730	0.000	1	107.4730	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.2850	0.000	1	108.4212	0.013	5	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.3885	0.067	2	108.4212	0.013	5	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){3|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.5220	0.068	2	108.4212	0.013	5	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2803	0.477	3	107.2803	0.228	3	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1470	0.134	2	108.1470	0.018	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2083	0.087	3	108.2083	0.008	3	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4130	0.272	4	107.8372	1.032	9	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1075	1.042	2	107.8372	1.032	9	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2227	1.679	3	107.8372	1.032	9	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2263	0.096	3	108.2263	0.009	3	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1620	0.202	3	108.1620	0.041	3	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7990	0.902	3	107.7990	0.814	3	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4315	0.438	2	108.4315	0.192	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.9040	0.000	1	106.9040	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0430	0.000	1	108.0430	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1890	0.000	1	107.1890	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]B[6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]B[6]HH)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|B<4>,1|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0760	1.185	4	108.0760	1.404	4	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8050	0.000	1	107.8050	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7480	0.020	2	107.7480	0.000	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3960	0.000	1	108.3960	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.1400	0.000	1	107.1400	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7205	0.166	2	107.7205	0.028	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]CC)(H){2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.3690	0.000	1	107.3690	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5180	0.223	3	107.5180	0.050	3	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4]C[6]H)(H)2{1|Fe<7>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2963	0.139	16	107.2963	0.019	16	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0156	0.170	10	107.9059	0.043	42	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{1|Cl<1>,2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0525	0.235	2	107.9059	0.043	42	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9865	0.037	2	107.9059	0.043	42	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0996	0.199	5	107.9059	0.043	42	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5255	0.028	2	107.9059	0.043	42	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8220	0.155	21	107.9059	0.043	42	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|N<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6935	1.678	2	107.8704	0.731	5	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9730	0.000	1	107.8704	0.731	5	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2{2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9960	0.065	2	107.8704	0.731	5	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2O)(H)2{5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2655	0.043	2	108.2655	0.002	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	111.4410	3.490	2	111.4410	12.182	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	112.0510	1.761	2	108.8169	1.930	16	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4509	0.192	8	108.8169	1.930	16	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2193	0.710	4	108.8169	1.930	16	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2420	0.048	2	108.8169	1.930	16	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4310	0.290	2	108.4310	0.084	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.8830	0.000	1	108.2656	0.485	7	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1898	0.716	4	108.2656	0.485	7	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.7870	0.000	1	108.2656	0.485	7	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<4>,1|P<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4300	0.000	1	108.2656	0.485	7	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4297	0.163	8	108.5002	0.886	12	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4570	0.273	2	108.5002	0.886	12	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|N<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.8250	3.039	2	108.5002	0.886	12	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.7420	0.034	2	108.7420	0.001	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2{2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.8640	0.000	1	108.8640	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	110.2450	0.000	1	110.2450	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]P[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<4>,1|P<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]P[6]HH)(H)2{1|Se<1>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4160	0.000	1	107.4160	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RhH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]RhH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RhH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]RhH)(H)2{2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	110.5410	0.086	2	110.5410	0.007	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RhH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]Rh)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RhH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]Rh)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.8490	0.000	1	111.0019	12.033	7	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RhH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]Rh)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RhH)(C[6]C[6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]Rh)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	111.1940	3.759	6	111.0019	12.033	7	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]RuH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuC)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]RuH)(H)2{2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	109.8458	0.357	4	109.6806	0.139	9	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]RuH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuC)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]RuH)(H)2{3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.5484	0.365	5	109.6806	0.139	9	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]RuH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]RuH)(H)2{2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.8697	0.566	8	109.9852	0.237	13	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]RuH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]RuH)(H)2{3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	110.1698	0.288	5	109.9852	0.237	13	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	110.4830	7.631	2	110.4830	58.234	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9375	0.827	4	107.9375	0.684	4	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3070	0.000	1	107.3070	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.6825	1.293	2	108.6825	1.673	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HS)(C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HS)(C[6]N[5a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.2920	0.000	1	109.2920	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(H){2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]CH)(H)2{2|C<4>,3|H<1>,3|O<2>}	H(C[6,6]C[6,6]C[6]2)	108.2320	0.000	1	108.2320	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(H){2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(H)2{2|C<4>,3|H<1>,3|O<2>}	H(C[6,6]C[6,6]C[6]2)	107.8780	0.315	3	107.8780	0.099	3	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[5a]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[5a]C[6]C)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|S<2>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{3|C<3>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.7805	0.356	2	104.7805	0.127	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.7150	0.000	1	104.9605	0.644	62	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.4920	0.744	2	104.9605	0.644	62	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{3|C<3>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.3545	0.238	2	104.9605	0.644	62	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.8285	0.023	2	104.9605	0.644	62	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|C<2>,2|C<3>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.3700	0.000	1	104.9605	0.644	62	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.8738	0.424	19	104.9605	0.644	62	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{3|C<3>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.7990	0.738	26	104.9605	0.644	62	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.0570	0.000	1	104.9605	0.644	62	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{3|C<4>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	104.9780	0.000	1	104.9605	0.644	62	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|Se<2>,1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.4350	0.000	1	104.9605	0.644	62	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.7115	1.546	6	104.9605	0.644	62	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	106.8940	0.000	1	106.3494	0.386	8	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.4710	0.554	2	106.3494	0.386	8	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.5918	0.257	5	106.3494	0.386	8	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|N<2>,2|C<3>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.7950	0.000	1	104.7950	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|O<2>,2|C<3>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.9210	0.000	1	105.5495	0.790	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|O<2>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.1780	0.000	1	105.5495	0.790	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.0880	0.000	1	107.0880	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0950	0.000	1	107.0950	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|S<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.9880	0.000	1	107.9880	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.4560	0.354	2	107.4560	0.125	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.8566	1.182	5	107.8566	1.397	5	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]N[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]N[6]CH)(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0240	0.000	1	107.0240	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.9010	0.023	2	106.3210	1.236	12	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.6690	0.000	1	106.3210	1.236	12	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.9798	1.522	6	106.3210	1.236	12	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.5007	0.462	3	106.3210	1.236	12	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){4|H<1>,7|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6560	0.000	1	107.6560	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.6025	0.467	4	107.6025	0.218	4	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]S[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]S[6]H)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|S<2>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.8270	0.000	1	107.8270	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|O<2>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.5680	0.000	1	107.5680	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]2)	107.4460	0.000	1	107.4460	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.8505	0.009	2	106.8505	0.000	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8895	0.285	15	107.8895	0.081	15	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]N)(C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]O[6]N)(C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H){2|H<1>,6|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.8695	0.214	2	108.8695	0.046	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0890	0.000	1	107.0890	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9890	0.000	1	106.9890	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6370	0.000	1	107.1430	0.209	3	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.5260	0.000	1	107.1430	0.209	3	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2660	0.000	1	107.1430	0.209	3	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.8470	0.000	1	105.8470	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.8780	0.268	6	104.8780	0.072	6	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]BrH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]BrH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.5385	0.128	2	107.5385	0.016	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.5940	0.000	1	104.5940	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.8010	0.000	1	104.8010	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|O<1>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.3375	0.043	2	105.1173	0.146	3	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.6770	0.000	1	105.1173	0.146	3	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|Br<1>,1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.4790	0.000	1	104.9185	1.349	70	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<3>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.1955	0.098	2	104.9185	1.349	70	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.7590	0.000	1	104.9185	1.349	70	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.3063	0.271	4	104.9185	1.349	70	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.5320	0.000	1	104.9185	1.349	70	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.5565	0.081	4	104.9185	1.349	70	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.3530	0.000	1	104.9185	1.349	70	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.6170	0.269	3	104.9185	1.349	70	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.2296	0.257	5	104.9185	1.349	70	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.8710	0.000	1	104.9185	1.349	70	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.3575	2.143	11	104.9185	1.349	70	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.5183	0.385	6	104.9185	1.349	70	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.4660	0.000	1	104.9185	1.349	70	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.4490	0.000	1	104.9185	1.349	70	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.7310	0.000	1	104.9185	1.349	70	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.1463	0.837	3	104.9185	1.349	70	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.4845	0.050	2	104.9185	1.349	70	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.9400	0.189	3	104.9185	1.349	70	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.3420	0.000	1	104.9185	1.349	70	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.5179	0.151	15	104.9185	1.349	70	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{8|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.4780	0.162	3	104.9185	1.349	70	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.6470	0.000	1	104.5010	0.043	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.3550	0.000	1	104.5010	0.043	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.2964	0.607	5	106.2964	0.369	5	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.6085	0.736	2	106.6085	0.542	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2490	0.000	1	107.4570	0.087	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6650	0.000	1	107.4570	0.087	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.3540	2.881	2	104.6696	1.142	10	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.4860	0.000	1	104.6696	1.142	10	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.5405	0.282	2	104.6696	1.142	10	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|H<1>,2|O<2>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.0480	0.000	1	104.6696	1.142	10	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.3432	0.331	4	104.6696	1.142	10	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.4730	0.000	1	107.4730	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CS)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CS)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.5510	0.000	1	106.5510	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HN)(H){4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.7730	0.000	1	105.7730	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.3400	0.081	2	105.3400	0.006	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6320	0.000	1	106.6320	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]OO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]OO)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>,3|O<2>}	H(C[6,6]C[6,6]C[6]2)	107.3150	0.000	1	107.3150	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.1590	0.000	1	107.1590	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8450	0.000	1	107.7602	0.990	4	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1580	0.000	1	107.7602	0.990	4	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9630	0.000	1	107.7602	0.990	4	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.0750	0.000	1	107.7602	0.990	4	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.5555	0.371	2	106.8404	0.482	15	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.8670	0.000	1	106.8404	0.482	15	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3260	0.004	2	106.8404	0.482	15	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.5440	0.000	1	106.8404	0.482	15	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5220	0.000	1	106.8404	0.482	15	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.1760	0.000	1	106.8404	0.482	15	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.5370	0.000	1	106.8404	0.482	15	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5620	0.000	1	106.8404	0.482	15	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.2705	0.098	2	106.8404	0.482	15	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4970	0.000	1	106.8404	0.482	15	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){2|C<4>,2|O<1>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2990	0.000	1	106.8404	0.482	15	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.2980	0.000	1	106.8404	0.482	15	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9830	0.081	2	104.9830	0.006	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{2|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.6000	0.000	1	106.6000	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2{1|C<4>,2|H<1>,6|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.6620	0.000	1	107.6620	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.5540	0.373	2	107.5540	0.139	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.5800	0.016	2	106.5800	0.000	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.0770	0.000	1	109.0770	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.1740	0.000	1	106.9215	1.118	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6690	0.000	1	106.9215	1.118	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0530	0.000	1	107.7167	0.370	3	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|S<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2480	0.000	1	107.7167	0.370	3	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8490	0.000	1	107.7167	0.370	3	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HN)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HN)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2660	0.000	1	108.2660	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]O[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]O[6]H)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.4440	0.000	1	106.4440	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.5600	0.000	1	107.2187	0.120	3	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.0480	0.255	2	107.2187	0.120	3	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.1550	0.000	1	106.1550	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2C)(H)2{1|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.0240	0.000	1	106.0240	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6760	0.000	1	107.6760	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.7180	0.000	1	108.4572	1.639	26	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4378	0.220	5	108.4572	1.639	26	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	110.1987	1.230	6	108.4572	1.639	26	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8100	0.000	2	108.4572	1.639	26	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.7080	0.000	1	108.4572	1.639	26	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1450	0.001	2	108.4572	1.639	26	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.5080	0.000	1	108.4572	1.639	26	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2225	0.052	2	108.4572	1.639	26	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4530	0.000	1	108.4572	1.639	26	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2480	0.000	1	108.4572	1.639	26	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1345	0.043	2	108.4572	1.639	26	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.1230	0.573	2	108.4572	1.639	26	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.9870	0.000	1	107.9870	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.2630	0.000	1	107.7760	0.526	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2890	0.000	1	107.7760	0.526	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.6890	0.355	2	106.6890	0.126	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]2)	107.6090	0.000	1	107.6090	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|N<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.6660	0.000	1	105.6660	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HS)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HS)(H){1|C<4>,1|N<3>,2|O<1>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3030	0.000	1	108.3030	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]HH)(H){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2705	0.363	2	106.7567	0.396	4	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.2430	0.023	2	106.7567	0.396	4	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.1310	0.000	1	107.1310	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]CH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7880	0.000	1	107.7880	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]O[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]O[6]O)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1910	0.000	1	108.1910	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1870	0.130	2	108.1870	0.017	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3670	0.000	1	107.8332	0.227	6	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7423	0.586	3	107.8332	0.227	6	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7025	0.322	2	107.8332	0.227	6	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6515	0.503	2	106.9395	2.588	48	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9885	0.050	2	106.9395	2.588	48	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5570	0.000	1	106.9395	2.588	48	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8640	0.000	1	106.9395	2.588	48	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9127	0.373	3	106.9395	2.588	48	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4273	0.319	4	106.9395	2.588	48	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7440	0.000	1	106.9395	2.588	48	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8700	0.000	1	106.9395	2.588	48	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7477	0.559	3	106.9395	2.588	48	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.7070	1.467	2	106.9395	2.588	48	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5880	0.488	2	106.9395	2.588	48	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9620	0.000	1	106.9395	2.588	48	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6990	0.333	3	106.9395	2.588	48	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6400	0.000	1	106.9395	2.588	48	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){2|B<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8050	0.000	1	106.9395	2.588	48	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1755	0.172	2	106.9395	2.588	48	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){2|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.7527	1.529	12	106.9395	2.588	48	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4165	1.005	4	106.9395	2.588	48	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9620	0.000	1	106.9395	2.588	48	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9880	0.000	1	106.9395	2.588	48	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.5900	0.000	1	105.5900	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	111.8780	0.000	1	111.8780	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]CH)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.6120	0.501	2	107.5294	0.468	5	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]CH)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9905	0.023	2	107.5294	0.468	5	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]CH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4420	0.000	1	107.5294	0.468	5	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5450	0.000	1	107.7455	1.278	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9460	0.000	1	107.7455	1.278	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){2|C<3>,2|O<2>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0138	0.279	4	107.0138	0.078	4	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6470	0.000	1	108.0403	2.195	4	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.3170	0.191	2	108.0403	2.195	4	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8800	0.000	1	108.0403	2.195	4	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3025	0.090	2	107.3025	0.008	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2Ir)(C[6]C[6]HH)(C[6]P[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2Ir)(C[6]C[6]HH)(C[6]P[6]HH)(H){4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ir<5>,1|P<4>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6563	0.055	3	106.5408	0.075	5	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2Ir)(C[6]C[6]HH)(C[6]P[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2Ir)(C[6]C[6]HH)(C[6]P[6]HH)(H){4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ir<7>,1|P<4>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.0560	0.000	1	106.5408	0.075	5	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2Ir)(C[6]C[6]HH)(C[6]P[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2Ir)(C[6]C[6]HH)(C[6]P[6]HH)(H){4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ir<6>,1|P<4>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6790	0.000	1	106.5408	0.075	5	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6600	0.000	1	107.6600	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.4623	0.422	9	105.4301	0.142	12	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.3333	0.221	3	105.4301	0.142	12	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.9910	0.000	1	104.9910	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.5170	0.000	1	106.5170	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]N[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]N[6]CH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	102.9700	0.000	1	102.9700	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<2>,2|F<1>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.1680	0.000	1	107.1680	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(H){1|C<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9430	0.091	4	107.2811	1.122	8	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.7930	0.000	1	107.2811	1.122	8	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.8850	0.000	1	107.2811	1.122	8	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8995	0.244	2	107.2811	1.122	8	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.7980	0.000	1	106.7980	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|N<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.2850	0.000	1	105.2850	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|B<4>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.7190	0.412	2	107.4377	0.751	4	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1565	0.136	2	107.4377	0.751	4	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.6190	0.000	1	106.2053	0.273	3	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.3750	0.000	1	106.2053	0.273	3	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.6220	0.000	1	106.2053	0.273	3	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){4|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8940	0.000	1	107.8940	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.3590	0.000	1	106.3590	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8760	0.000	1	106.8760	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.1500	0.000	1	105.1500	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CS)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CS)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|N<3>,1|S<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3900	0.000	1	107.3900	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5330	0.000	1	107.5330	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5160	0.000	1	107.5160	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]CH)(H){1|S<4>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7417	1.037	3	107.7417	1.076	3	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<1>,2|N<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6295	0.158	2	107.6295	0.025	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1000	0.000	1	107.3740	0.284	25	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1290	0.000	1	107.3740	0.284	25	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2737	0.257	3	107.3740	0.284	25	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2713	0.261	3	107.3740	0.284	25	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H){1|P<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0955	0.026	2	107.3740	0.284	25	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6790	0.543	2	107.3740	0.284	25	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H){2|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2370	0.000	1	107.3740	0.284	25	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H){2|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1300	0.000	1	107.3740	0.284	25	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5197	0.089	7	107.3740	0.284	25	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4832	0.371	4	107.3740	0.284	25	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|N<3>,2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.7845	0.829	2	108.7845	0.688	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3400	0.000	1	107.3400	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]O)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]O)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.0610	2.472	2	108.1910	3.514	4	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]O)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]O)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3210	1.185	2	108.1910	3.514	4	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]O[6])(C[6]C[6,6a]HN)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]O[6])(C[6]C[6,6a]HN)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|N<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0970	0.000	1	108.0970	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[5,6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[5,6]CC)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.3960	0.000	1	104.3960	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0910	0.000	1	107.7022	0.072	5	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6050	0.182	4	107.7022	0.072	5	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]FH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]FH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2200	0.000	1	107.2200	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|S<4>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.8127	0.113	4	104.8127	0.013	4	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8150	0.000	1	107.8150	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.0120	0.330	2	108.0120	0.109	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CN)(C[6]C[6]HH)(H){2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	109.2330	0.000	1	109.2330	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4730	0.000	1	107.4730	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]N[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]N[6]CC)(H){1|S<4>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.1660	0.000	1	107.1660	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]N[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]N[6]CH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.9160	0.000	1	108.9160	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]S[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]S[6]CC)(H){1|Co<5>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,1|S<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.1720	0.000	1	107.1720	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6a]HN)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6a]HN)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6540	0.000	1	107.6540	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|S<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	94.7072	3.115	2	94.5332	4.943	3	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|S<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	94.1850	0.000	1	94.5332	4.943	3	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,1|S<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0500	0.000	1	108.0500	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|S<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.7525	0.562	2	106.7525	0.316	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.7525	0.540	2	106.7525	0.291	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6a]C[6]O[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6a]C[6]O[6])(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4290	0.000	1	108.4290	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]In[6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]In[6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|Br<1>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|In<4>,1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1950	0.000	1	107.1950	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[5,6,6]HH)(C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]N[5,6,6]HH)(C[6]C[5,6,6]HH)(C[6]C[6]HH)(H){1|H<1>,1|I<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.7338	0.334	16	108.7338	0.111	16	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	110.8570	0.000	1	110.8570	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]S[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]S[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|S<2>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5185	0.418	2	108.5185	0.175	2	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.9670	0.120	2	109.1637	0.057	4	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.3830	0.000	1	109.1637	0.057	4	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.3380	0.000	1	109.1637	0.057	4	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]CH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8600	0.000	1	107.8600	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.8410	0.000	1	108.8410	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|N<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1260	0.000	1	108.1260	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]O[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]O[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8710	0.000	1	107.8710	0.000	1	106.3891	2.854	1817	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6]C)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6]C)(H)2{1|N<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.3415	0.227	2	109.3415	0.052	2	108.4497	2.412	3	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6]H)(H)2{1|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6660	0.000	1	106.6660	0.000	1	108.4497	2.412	3	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]HH)(H)2{1|C<4>,1|N<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9615	0.078	2	106.9615	0.006	2	107.5987	0.789	50	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6a]HH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6a]HH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]HH)(H)2{1|C<4>,1|N<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2062	1.024	17	107.2062	1.049	17	107.5987	0.789	50	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CC)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]N[6]HH)(H){1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CC)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6870	0.522	2	106.6870	0.272	2	107.5987	0.789	50	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CC)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H){1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CC)(H)2{1|C<4>,1|N<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4460	0.297	2	106.4460	0.088	2	107.5987	0.789	50	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H){2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CH)(H)2{1|C<4>,1|N<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4130	0.171	2	108.4130	0.029	2	107.5987	0.789	50	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CuC)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H){1|Cu<4>,1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CuC)(H)2{1|C<4>,1|N<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7520	0.021	4	107.7520	0.000	4	107.5987	0.789	50	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]PtH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H){1|Pt<4>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]PtH)(H)2{1|C<4>,1|N<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2597	0.130	19	108.2597	0.017	19	107.5987	0.789	50	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.2355	0.021	2	106.2355	0.000	2	107.5987	0.789	50	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:P[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2Ir)(C[6]C[6]HH)(C[6]P[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(P[6]C[6]IrC)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2Ir)(C[6]C[6]HH)(C[6]P[6]HH)(H){4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(P[6]C[6]IrC)(H)2{2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.5260	0.326	4	106.5708	0.090	5	106.5708	0.090	5	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:P[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2Ir)(C[6]C[6]HH)(C[6]P[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(P[6]C[6]IrC)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2Ir)(C[6]C[6]HH)(C[6]P[6]HH)(H){4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(P[6]C[6]IrC)(H)2{2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.7500	0.000	1	106.5708	0.090	5	106.5708	0.090	5	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:S[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CO)(C[6]N[6]HH)(C[6]S[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6]OO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]CO)(C[6]N[6]HH)(C[6]S[6]HH)(H){1|H<1>,2|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6]OO)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1285	0.084	2	107.1285	0.007	2	107.6485	0.435	6	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:S[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HN)(C[6]N[6]HH)(C[6]S[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6]OO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HN)(C[6]N[6]HH)(C[6]S[6]HH)(H){1|H<1>,2|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6]OO)(H)2{1|C<4>,2|N<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3710	0.195	2	107.3710	0.038	2	107.6485	0.435	6	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:S[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HO)(C[6]N[6]HH)(C[6]S[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6]OO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HO)(C[6]N[6]HH)(C[6]S[6]HH)(H){1|H<1>,2|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6]OO)(H)2{1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4460	0.403	2	108.4460	0.162	2	107.6485	0.435	6	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)	C[6](N[5,6]C[5,6]O[5,6]C)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6,6]HH)(C[6]N[5,6]HH)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](N[5,6]C[5,6]O[5,6]C)(C[6,6]C[6,6]C[6]H)(H)2{4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5970	0.000	1	107.5970	0.000	1	107.5970	0.000	1	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(N[6]C[6]CH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6,6]N[6]H)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(N[6]C[6]CH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6,6]N[6]H)(H)2{2|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.3840	0.000	1	108.3840	0.000	1	108.3840	0.000	1	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]CH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	107.5000	0.000	1	107.5000	0.000	1	107.7400	0.231	4	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]CH)(H){1|O<2>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	107.1990	0.000	1	107.1990	0.000	1	107.7400	0.231	4	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.2680	0.000	1	108.2680	0.000	1	107.7400	0.231	4	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.9930	0.000	1	107.9930	0.000	1	107.7400	0.231	4	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:In[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(In[6]O[6]Br2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]In[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]In[6]C[6])	C[6,6](C[6,6]C[6]2H)(In[6]O[6]Br2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]In[6]H)(C[6]C[6]HH)(H)2{2|Br<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]In[6]C[6])	107.3870	0.000	1	107.3870	0.000	1	107.3870	0.000	1	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2C)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	106.2710	0.000	1	106.2710	0.000	1	106.9200	1.799	87	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Cu)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Cu)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|Cu<4>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.2857	0.481	6	107.5097	0.749	10	106.9200	1.799	87	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Cu)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Cu)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|Cu<5>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.8458	1.269	4	107.5097	0.749	10	106.9200	1.799	87	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){10|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.5899	0.287	9	107.5031	0.355	15	106.9200	1.799	87	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.6720	0.642	2	107.5031	0.355	15	106.9200	1.799	87	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	108.1110	0.000	1	107.5031	0.355	15	106.9200	1.799	87	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.6970	0.000	1	107.5031	0.355	15	106.9200	1.799	87	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<4>,3|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	106.5425	1.237	2	107.5031	0.355	15	106.9200	1.799	87	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Hg)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Hg)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|Hg<4>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	106.8050	0.789	2	106.8050	0.623	2	106.9200	1.799	87	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Li)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Li)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|Li<4>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	106.5985	1.088	16	106.5985	1.183	16	106.9200	1.799	87	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Ni)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Ni)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|Ni<4>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	106.5555	0.247	2	106.5555	0.061	2	106.9200	1.799	87	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Pd)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Pd)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|Pd<4>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	106.6253	1.490	30	106.7042	3.608	32	106.9200	1.799	87	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Pd)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Pd)(C[6]C[6]HH)(H){1|N<4>,2|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|Pd<5>,1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.8875	6.669	2	106.7042	3.608	32	106.9200	1.799	87	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Rh)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Rh)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|Rh<6>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	106.8585	0.260	2	106.8585	0.067	2	106.9200	1.799	87	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Zn)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Zn)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|Zn<4>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]N[6,6]C[6])	106.7966	0.109	7	106.7966	0.012	7	106.9200	1.799	87	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6]BH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6]BH)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	106.8015	0.185	2	106.8015	0.034	2	108.9082	0.661	24	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6]HH)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.2865	0.084	2	108.2865	0.007	2	108.9082	0.661	24	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6]CuC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6]CuC)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|Cu<4>,1|N<4>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.7800	0.000	1	108.7800	0.000	1	108.9082	0.661	24	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6]CuH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6]CuH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|Cu<3>,1|N<4>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.2310	0.000	1	109.4071	0.078	14	108.9082	0.661	24	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6]CuH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6]CuH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|Cu<4>,1|N<4>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.4206	0.286	13	109.4071	0.078	14	108.9082	0.661	24	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6]PdC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6]PdC)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|Pd<4>,1|N<4>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.4677	0.182	4	108.4677	0.033	4	108.9082	0.661	24	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6]PdH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6]PdH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|Pd<4>,1|N<4>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.2710	0.000	1	109.2710	0.000	1	108.9082	0.661	24	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:P[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(P[6]C[6]SeC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]P[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]P[6])	C[6,6](C[6,6]C[6,6]HH)(P[6]C[6]SeC)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]P[6]H)(C[6]C[6]HH)(H)2{1|Se<1>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]P[6])	108.7030	0.000	1	108.7030	0.000	1	108.7030	0.000	1	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[3,6,6]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[3,6,6]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.1640	0.188	2	107.1640	0.035	2	107.1640	0.035	2	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[6,6]-4:Cl-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,5,6]ClH)(C[6,6]C[6,6]HH)(C[6]C[6]Cl2)(H)	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(Cl)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5,5,6]ClH)(C[6,6]C[6,6]HH)(C[6]C[6]Cl2)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(Cl)(H){2|Cl<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7680	0.000	1	107.7680	0.000	1	107.7680	0.000	1	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|C<3>,2|H<1>,6|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|O<2>,5|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1270	0.000	1	107.1270	0.000	1	107.1270	0.000	1	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6382	1.869	4	106.6382	3.495	4	106.6986	1.627	8	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.7590	0.540	4	106.7590	0.292	4	106.6986	1.627	8	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(H)2{1|O<2>,2|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.1120	0.000	1	107.1120	0.000	1	107.1120	0.000	1	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]B[6a]B[5]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]B[6a]B[5]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<4>,2|N<3>,2|O<2>,8|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|B<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.7470	0.000	1	106.7470	0.000	1	107.2168	1.923	34	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[3,6,6]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[3,6,6]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1235	0.207	2	107.1235	0.043	2	107.2168	1.923	34	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[3,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[3,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3000	0.000	1	108.3000	0.000	1	107.2168	1.923	34	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[3]O[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[3]O[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2720	0.322	2	107.2720	0.104	2	107.2168	1.923	34	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|N<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9310	0.000	1	106.9310	0.000	1	107.2168	1.923	34	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1820	0.000	1	108.1820	0.000	1	107.2168	1.923	34	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0040	0.000	1	108.0040	0.000	1	107.2168	1.923	34	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]N)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]N)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1950	0.000	1	108.1950	0.000	1	107.2168	1.923	34	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]N[6]O[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]N[6]O[6]H)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9190	0.000	1	107.9190	0.000	1	107.2168	1.923	34	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.3645	0.520	2	107.3850	0.683	6	107.2168	1.923	34	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8953	0.078	4	107.3850	0.683	6	107.2168	1.923	34	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.7630	2.896	2	105.7630	8.389	2	107.2168	1.923	34	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6830	0.000	1	107.6830	0.000	1	107.2168	1.923	34	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(C[6,6]O[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(C[6,6]O[6]2C)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8040	0.000	1	107.8040	0.000	1	107.2168	1.923	34	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2810	0.000	1	108.2810	0.000	1	107.2168	1.923	34	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.0220	0.000	1	109.0220	0.000	1	107.2168	1.923	34	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.9155	0.185	2	107.9155	0.034	2	107.2168	1.923	34	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	105.5240	0.163	4	106.3668	2.579	6	107.2168	1.923	34	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|N<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0525	2.071	2	106.3668	2.579	6	107.2168	1.923	34	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8750	0.000	1	107.8750	0.000	1	107.2168	1.923	34	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]O[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]O[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<2>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.6610	0.000	1	108.6610	0.000	1	107.2168	1.923	34	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]O[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]O[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	103.1070	0.000	1	103.1070	0.000	1	107.2168	1.923	34	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2H)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2H)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4160	0.000	1	107.4160	0.000	1	107.4160	0.000	1	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]N[6,6]C[6]H)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){2|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]N[6,6]C[6]H)(H)2{1|N<3>,3|H<1>,7|C<4>}	H(C[6,6]N[6,6]C[6]2)	107.8030	0.000	1	107.8030	0.000	1	107.8030	0.000	1	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){2|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2{3|C<4>,5|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.7830	0.000	1	107.7830	0.000	1	107.7830	0.000	1	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]N[3x6]C[6]2)	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){5|C<4>,5|H<1>}	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]N[3x6]C[6]2)	105.5900	0.000	1	105.5900	0.000	1	107.7130	2.157	5	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]N[3x6]C[6]2)	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]HH)2(H){5|C<4>,5|H<1>}	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	H(C[6,6]N[3x6]C[6]2)	109.0970	0.000	1	109.0970	0.000	1	107.7130	2.157	5	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[3x6]C[6]2)	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]HH)2(H){4|C<4>,6|H<1>}	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]N[3x6]C[6]2)	107.4010	0.000	1	107.9593	1.011	3	107.7130	2.157	5	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[3x6]C[6]2)	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]HH)2(H){4|C<4>,6|H<1>}	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6,6]N[3x6]C[6]2)	107.3570	0.000	1	107.9593	1.011	3	107.7130	2.157	5	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[3x6]C[6]2)	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]HH)2(H){5|C<4>,5|H<1>}	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6,6]N[3x6]C[6]2)	109.1200	0.000	1	107.9593	1.011	3	107.7130	2.157	5	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.7120	0.000	1	107.7120	0.000	1	107.9064	0.547	14	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]CH)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]CH)(C[6]C[6]HH)2(H){1|N<3>,2|C<4>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.4670	0.209	2	108.4670	0.044	2	107.9064	0.547	14	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]CH)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HN)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]CH)(C[6]C[6]HH)2(H){1|N<3>,2|C<4>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HN)(H)2{3|C<4>,5|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.5150	0.225	2	108.5150	0.051	2	107.9064	0.547	14	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2B)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2B)(C[6]C[6]HH)2(H){2|C<4>,8|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.6580	0.000	1	107.6580	0.000	1	107.9064	0.547	14	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2C)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	106.6270	0.000	1	106.6270	0.000	1	107.9064	0.547	14	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2C)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	106.6750	0.000	1	106.6750	0.000	1	107.9064	0.547	14	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|S<2>,2|H<1>,5|C<4>}	H(C[6,6]N[6,6]C[6]2)	108.6970	0.000	1	108.3365	0.260	2	107.9064	0.547	14	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6,6]N[6,6]C[6]2)	107.9760	0.000	1	108.3365	0.260	2	107.9064	0.547	14	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.4600	0.000	1	108.4600	0.000	1	107.9064	0.547	14	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.5840	0.000	1	108.0205	0.381	2	107.9064	0.547	14	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.4570	0.000	1	108.0205	0.381	2	107.9064	0.547	14	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2{3|C<4>,5|H<1>}	H(C[6,6]N[6,6]C[6]2)	106.8800	0.000	1	106.8800	0.000	1	107.9064	0.547	14	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](P[6,6]C[6,6]CC)(C[6]C[6]HH)2(H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]P[6,6]C[6]2)	C[6,6](P[6,6]C[6,6]CC)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6,6]P[6,6]C[6]2)	108.5885	0.408	4	108.5885	0.166	4	107.8766	0.206	101	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](P[6,6]C[6,6]C[6]Co)(C[6]C[6]HH)2(H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]P[6,6]C[6]2)	C[6,6](P[6,6]C[6,6]C[6]Co)(C[6]C[6]HH)2(H){4|C<4>,6|H<1>}	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Co<4>,3|C<4>,4|H<1>}	H(C[6,6]P[6,6]C[6]2)	107.8280	0.037	4	107.8280	0.001	4	107.8766	0.206	101	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](P[6,6]C[6,6]C[6a]Pd)(C[6]C[6]HH)2(H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]P[6,6]C[6]2)	C[6,6](P[6,6]C[6,6]C[6a]Pd)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Pd<4>,1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]P[6,6]C[6]2)	108.0905	0.245	4	108.0905	0.060	4	107.8766	0.206	101	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](P[6,6]C[6,6]CoC)(C[6]C[6]HH)2(H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]P[6,6]C[6]2)	C[6,6](P[6,6]C[6,6]CoC)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Co<4>,3|C<4>,4|H<1>}	H(C[6,6]P[6,6]C[6]2)	108.1124	0.403	7	108.1124	0.162	7	107.8766	0.206	101	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](P[6,6]C[6,6]CrN)(C[6]C[6]HH)2(H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]P[6,6]C[6]2)	C[6,6](P[6,6]C[6,6]CrN)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Cr<6>,1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]P[6,6]C[6]2)	107.4555	0.184	12	107.4555	0.034	12	107.8766	0.206	101	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](P[6,6]C[6,6]NP)(C[6]C[6]HH)2(H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]P[6,6]C[6]2)	C[6,6](P[6,6]C[6,6]NP)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|P<3>,2|C<4>,4|H<1>}	H(C[6,6]P[6,6]C[6]2)	108.6120	0.115	4	108.6120	0.013	4	107.8766	0.206	101	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](P[6,6]C[6,6]PdC)(C[6]C[6]HH)2(H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]P[6,6]C[6]2)	C[6,6](P[6,6]C[6,6]PdC)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Pd<4>,1|C<2>,2|C<4>,4|H<1>}	H(C[6,6]P[6,6]C[6]2)	108.2991	0.148	13	108.0511	0.078	33	107.8766	0.206	101	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](P[6,6]C[6,6]PdC)(C[6]C[6]HH)2(H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]P[6,6]C[6]2)	C[6,6](P[6,6]C[6,6]PdC)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Pd<4>,3|C<4>,4|H<1>}	H(C[6,6]P[6,6]C[6]2)	107.8899	0.220	20	108.0511	0.078	33	107.8766	0.206	101	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](P[6,6]C[6,6]PtC)(C[6]C[6]HH)2(H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]P[6,6]C[6]2)	C[6,6](P[6,6]C[6,6]PtC)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Pt<4>,3|C<4>,4|H<1>}	H(C[6,6]P[6,6]C[6]2)	107.7036	0.338	12	107.7036	0.114	12	107.8766	0.206	101	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](P[6,6]C[6,6]PtN)(C[6]C[6]HH)2(H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]P[6,6]C[6]2)	C[6,6](P[6,6]C[6,6]PtN)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Pt<4>,1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]P[6,6]C[6]2)	107.9347	1.048	3	107.9347	1.099	3	107.8766	0.206	101	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](P[6,6]C[6,6]RuC)(C[6]C[6]HH)2(H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]P[6,6]C[6]2)	C[6,6](P[6,6]C[6,6]RuC)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ru<8>,3|C<4>,4|H<1>}	H(C[6,6]P[6,6]C[6]2)	107.2199	0.133	8	107.3956	0.056	15	107.8766	0.206	101	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](P[6,6]C[6,6]RuC)(C[6]C[6]HH)2(H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]P[6,6]C[6]2)	C[6,6](P[6,6]C[6,6]RuC)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ru<9>,3|C<4>,4|H<1>}	H(C[6,6]P[6,6]C[6]2)	107.5964	0.147	7	107.3956	0.056	15	107.8766	0.206	101	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](P[6,6]C[6,6]SeC)(C[6]C[6]HH)2(H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]P[6,6]C[6]2)	C[6,6](P[6,6]C[6,6]SeC)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Se<1>,3|C<4>,4|H<1>}	H(C[6,6]P[6,6]C[6]2)	107.9817	0.019	3	107.9817	0.000	3	107.8766	0.206	101	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	Si[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](Si[6]C[6,6a]C[6a]C)(C[6,6]N[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]Si[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]C[6,6]Si[6]C[6])	C[6,6](Si[6]C[6,6a]C[6a]C)(C[6,6]N[6,6]HH)(C[6]C[6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]Si[6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]Si[6]C[6])	108.7250	0.000	1	108.7250	0.000	1	108.4313	0.069	3	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	Si[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](Si[6]C[6,6a]C[6a]C)(C[6,6]N[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]Si[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]Si[6]C[6])	C[6,6](Si[6]C[6,6a]C[6a]C)(C[6,6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]Si[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]Si[6]C[6])	108.2845	0.091	2	108.2845	0.008	2	108.4313	0.069	3	106.8803	2.507	4775	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[5,6]C[5,6]O[5]O)(OH)(H)	H(C[6,6]C[3,6,6]C[6,6]C[6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[5,6]C[5,6]O[5]O)(OH)(H){1|O<2>,2|C<3>,5|C<4>}	H(C[6,6]C[3,6,6]C[6,6]C[6])	105.9130	0.000	1	105.9130	0.000	1	105.9130	0.000	1	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[5,6]C[6]O)(C[6]C[6]HO)(H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]CH)(OSi)(H)	H(C[6,6]C[3,6]C[6,6]C[6])	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[5,6]C[6]O)(C[6]C[6]HO)(H){2|C<3>,3|H<1>,6|C<4>}	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]CH)(OSi)(H){2|H<1>,2|O<2>,4|C<4>}	H(C[6,6]C[3,6]C[6,6]C[6])	106.5590	0.000	1	106.5590	0.000	1	105.8820	0.917	2	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(OH)(H)	H(C[6,6]C[3,6]C[6,6]C[6])	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){3|C<4>,6|H<1>}	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[3,6]C[6,6]C[6])	105.2050	0.000	1	105.2050	0.000	1	105.8820	0.917	2	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|O<2>,7|C<4>}	H(C[6,6]C[3x6]C[6]2)	103.1940	0.000	1	103.1940	0.000	1	106.9601	3.714	7	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]HO)(OH)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|N<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]HO)(OH)(H){4|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.7300	0.000	1	107.7300	0.000	1	106.9601	3.714	7	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.3063	0.127	3	108.3063	0.016	3	106.9601	3.714	7	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6]2)	105.5740	0.000	1	105.5740	0.000	1	106.9601	3.714	7	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.3040	0.000	1	107.3040	0.000	1	106.9601	3.714	7	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[4,3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[4,3x6]C[4,6,6]N[6,6]C[4])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[4,3x6]C[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6,6]C[4,3x6]C[6]2)	C[6,6](C[4,3x6]C[4,6,6]N[6,6]C[4])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[4,3x6]C[6]H)(C[6]C[6]HH)(OC)(H){1|N<3>,3|C<4>,4|H<1>}	H(C[6,6]C[4,3x6]C[6]2)	105.0820	0.000	1	105.0820	0.000	1	105.0820	0.000	1	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H)	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[5,6]HO)(OH)(H)	H(C[6,6]C[5,3x6]C[6,6]C[6])	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H){3|C<3>,3|C<4>,3|O<2>,6|H<1>}	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[5,6]HO)(OH)(H){1|O<2>,2|C<3>,5|C<4>}	H(C[6,6]C[5,3x6]C[6,6]C[6])	112.8470	0.000	1	112.8470	0.000	1	108.8660	31.697	2	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[5,6]HO)(OH)(H)	H(C[6,6]C[5,3x6]C[6,6]C[6])	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){2|C<3>,3|C<4>,3|O<2>,8|H<1>}	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[5,6]HO)(OH)(H){1|C<3>,1|O<2>,6|C<4>}	H(C[6,6]C[5,3x6]C[6,6]C[6])	104.8850	0.000	1	104.8850	0.000	1	108.8660	31.697	2	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OC)(H)	H(C[6,6]C[5,6,6]2C[6])	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<3>,2|O<1>,3|O<2>,4|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OC)(H){1|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[5,6,6]2C[6])	105.0690	0.000	1	105.3377	0.056	3	105.7237	0.138	8	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OC)(H)	H(C[6,6]C[5,6,6]2C[6])	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H){2|C<3>,2|O<1>,3|C<4>,3|O<2>,7|H<1>}	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OC)(H){1|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[5,6,6]2C[6])	105.4720	0.065	2	105.3377	0.056	3	105.7237	0.138	8	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OH)(H)	H(C[6,6]C[5,6,6]2C[6])	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<3>,2|O<1>,2|O<2>,4|C<4>,8|H<1>}	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[5,6,6]2C[6])	106.0620	0.000	1	105.9554	0.035	5	105.7237	0.138	8	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OH)(H)	H(C[6,6]C[5,6,6]2C[6])	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<3>,2|O<1>,3|O<2>,4|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[5,6,6]2C[6])	105.8235	0.252	2	105.9554	0.035	5	105.7237	0.138	8	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OH)(H)	H(C[6,6]C[5,6,6]2C[6])	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H){2|C<3>,2|O<1>,3|C<4>,3|O<2>,7|H<1>}	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[5,6,6]2C[6])	106.0340	0.133	2	105.9554	0.035	5	105.7237	0.138	8	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]O[5]H)(OH)(H)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H){1|O<1>,2|C<3>,3|C<4>,3|O<2>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]O[5]H)(OH)(H){1|O<2>,2|C<3>,6|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	103.6810	0.000	1	103.6260	0.006	2	103.6260	0.006	2	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]O[5]H)(OH)(H)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H){1|O<1>,2|C<4>,3|C<3>,3|O<2>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]O[5]H)(OH)(H){1|O<2>,2|C<3>,6|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	103.5710	0.000	1	103.6260	0.006	2	103.6260	0.006	2	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6,6]C[6,6]O[6]H)(OH)(H)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(H){1|C<3>,3|H<1>,4|C<4>,5|O<2>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6,6]C[6,6]O[6]H)(OH)(H){1|C<3>,1|H<1>,7|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	102.6210	0.000	1	102.6210	0.000	1	102.6210	0.000	1	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|N<2>,3|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H){1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	103.5570	0.000	1	105.5670	0.662	62	105.5346	0.629	69	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){3|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	106.5080	0.000	1	105.5670	0.662	62	105.5346	0.629	69	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){3|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	105.5848	0.775	60	105.5670	0.662	62	105.5346	0.629	69	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]2)(C[6]C[6]HO)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]2)(C[6]C[6]HO)(H){10|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	105.7720	0.245	2	105.5613	0.083	4	105.5346	0.629	69	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]2)(C[6]C[6]HO)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]2)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,2|O<1>,3|C<4>,9|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	105.3505	0.108	2	105.5613	0.083	4	105.5346	0.629	69	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){10|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	104.5840	0.000	1	104.5210	0.008	2	105.5346	0.629	69	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	104.4580	0.000	1	104.5210	0.008	2	105.5346	0.629	69	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HO)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OC)(H)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,3|O<2>,4|C<4>,9|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OC)(H){1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	105.4470	0.000	1	105.4470	0.000	1	105.5346	0.629	69	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,4|C<4>,8|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	105.5550	0.000	1	105.5550	0.000	1	107.3410	2.316	7	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){3|C<4>,5|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	109.4330	0.204	2	109.4330	0.041	2	107.3410	2.316	7	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|N<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	106.2210	0.000	1	106.6565	0.379	2	107.3410	2.316	7	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|N<3>,3|H<1>,4|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	107.0920	0.000	1	106.6565	0.379	2	107.3410	2.316	7	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	106.8265	0.255	2	106.8265	0.065	2	107.3410	2.316	7	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|O<2>,5|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H){2|H<1>,6|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.9050	0.000	1	107.9050	0.000	1	107.9633	1.025	99	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){6|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.6160	0.397	4	107.6160	0.157	4	107.9633	1.025	99	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|C<3>,6|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.7175	0.100	2	107.9755	1.074	91	107.9633	1.025	99	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){5|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.5420	0.000	1	107.9755	1.074	91	107.9633	1.025	99	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){6|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.9863	1.052	88	107.9755	1.074	91	107.9633	1.025	99	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HN)(OH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|C<3>,1|N<2>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HN)(OH)(H){3|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.4610	0.000	1	108.4610	0.000	1	107.9633	1.025	99	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(OH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,3|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.0210	0.000	1	109.0210	0.000	1	107.9633	1.025	99	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(OC)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|O<2>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.7450	0.000	1	106.7450	0.000	1	107.9633	1.025	99	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:S-2:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(SC)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)(H){1|C<3>,6|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(SC)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.3860	0.194	5	107.3860	0.038	5	107.3860	0.038	5	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[3x6]C[6,6]2C)(C[6]C[6]HO)(H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[3x6]C[6,6]2C)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(OC)(H){2|C<3>,6|C<4>}	H(C[6,6]C[3x6]C[6,6]C[6])	104.3730	0.000	1	104.3730	0.000	1	104.3730	0.000	1	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[5,6]C[5]2C[6])(C[6]C[6]HO)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(OC)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[5,6]C[5]2C[6])(C[6]C[6]HO)(H){1|C<3>,2|O<2>,5|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,7|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	102.7180	0.000	1	102.7180	0.000	1	106.7280	7.201	4	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(OH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H){3|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.0647	0.286	3	108.0647	0.082	3	106.7280	7.201	4	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){3|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	103.8180	0.000	1	103.8180	0.000	1	105.0701	1.181	38	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.9003	0.115	3	104.2812	1.542	4	105.0701	1.181	38	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){6|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	102.4240	0.000	1	104.2812	1.542	4	105.0701	1.181	38	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.9205	0.285	2	105.8570	0.053	3	105.0701	1.181	38	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|O<1>,2|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H){1|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	105.7300	0.000	1	105.8570	0.053	3	105.0701	1.181	38	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.2325	0.009	2	104.8961	0.954	20	105.0701	1.181	38	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.7668	0.580	6	104.8961	0.954	20	105.0701	1.181	38	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.2220	0.000	1	104.8961	0.954	20	105.0701	1.181	38	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.0830	0.000	1	104.8961	0.954	20	105.0701	1.181	38	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|O<2>,6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.2710	0.000	1	104.8961	0.954	20	105.0701	1.181	38	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	104.6329	1.144	7	104.8961	0.954	20	105.0701	1.181	38	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	106.0670	0.000	1	104.8961	0.954	20	105.0701	1.181	38	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){2|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.7830	0.000	1	104.8961	0.954	20	105.0701	1.181	38	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OS)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OS)(H){1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.1120	0.007	2	106.1120	0.000	2	105.0701	1.181	38	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H){2|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	106.7640	0.000	1	106.7640	0.000	1	105.0701	1.181	38	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.7030	0.448	2	106.1397	1.053	3	105.0701	1.181	38	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.0130	0.000	1	106.1397	1.053	3	105.0701	1.181	38	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OC)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OC)(H){1|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	104.5340	0.000	1	104.5340	0.000	1	105.0701	1.181	38	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HO)(H){1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	103.5110	0.000	1	103.5110	0.000	1	105.0701	1.181	38	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(OH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HO)(H){6|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(OH)(H){3|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	104.7410	0.000	1	104.7410	0.000	1	105.0701	1.181	38	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O[6])(C[6,6]C[6]2C)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6]2O[6])(C[6,6]C[6]2C)(C[6]C[6]HO)(H){1|C<3>,1|N<2>,2|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H){1|C<2>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	106.0360	0.000	1	106.0360	0.000	1	105.0701	1.181	38	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[3,5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6]HH)(H){3|C<4>,3|O<2>,4|H<1>}	C[6](C[5,6]C[3,5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(OH)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.3570	0.000	1	107.3570	0.000	1	105.9855	5.875	4	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6]CC)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H){1|C<3>,1|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.8120	0.000	1	104.8120	0.000	1	105.9855	5.875	4	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[5,6]HO)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[5,6]HO)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H){3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5650	0.000	1	108.5650	0.000	1	105.9855	5.875	4	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HO)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HO)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H){1|H<1>,2|C<3>,2|O<2>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	103.2080	0.000	1	103.2080	0.000	1	105.9855	5.875	4	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:S-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[5,6]HS)(H)	C[6](C[5,6]O[5,6]C[5]S)(C[6,6]C[6,6]C[6]H)(SC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[5,6]HS)(H){1|O<2>,2|H<1>,3|S<2>,4|C<4>}	C[6](C[5,6]O[5,6]C[5]S)(C[6,6]C[6,6]C[6]H)(SC)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.4200	0.000	1	104.4200	0.000	1	104.4200	0.000	1	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(C[6]C[6]CC)(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(C[6]C[6]CC)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(OH)(H){1|C<3>,1|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.1940	0.000	1	105.1940	0.000	1	107.4707	3.887	3	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HO)(C[6]C[6]HN)(H)	C[6](C[6,6]C[6,6]C[6]H)2(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HO)(C[6]C[6]HN)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]H)2(OH)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.6090	0.004	2	108.6090	0.000	2	107.4707	3.887	3	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3270	0.000	1	107.3270	0.000	1	107.3270	0.000	1	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(NN)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HN)(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(NN)(H){3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.5860	0.000	1	104.5860	0.000	1	104.5860	0.000	1	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HO)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HO)2(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4190	0.000	1	107.4190	0.000	1	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(OH)(H){1|C<3>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	103.7790	0.000	1	103.5850	0.075	2	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(OH)(H){8|C<4>}	H(C[6,6]C[6,6]C[6]2)	103.3910	0.000	1	103.5850	0.075	2	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OH)(H){3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.1140	0.362	2	106.1140	0.131	2	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OC)(H){2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.6280	0.000	1	107.6280	0.000	1	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OS)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OS)(H){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.6310	0.000	1	108.6310	0.000	1	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(OC)(H){1|C<3>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.2967	0.243	3	104.2967	0.059	3	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H){8|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.7720	0.427	4	104.7720	0.182	4	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.3330	0.000	1	104.5973	1.238	7	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.8370	0.000	1	104.5973	1.238	7	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H){8|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.4022	1.187	5	104.5973	1.238	7	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){2|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.7577	0.217	3	105.1758	1.150	6	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){3|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.5070	0.000	1	105.1758	1.150	6	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){1|O<2>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	103.0480	0.000	1	105.1758	1.150	6	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){1|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.2270	0.000	1	105.1758	1.150	6	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){3|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.2650	0.000	1	105.1535	0.024	4	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.1163	0.167	3	105.1535	0.024	4	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|Br<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.6490	0.000	1	104.6490	0.000	1	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.3240	0.000	1	107.2537	0.389	4	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.2303	0.762	3	107.2537	0.389	4	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.7300	1.549	2	105.7300	2.398	2	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.5950	1.068	3	105.5950	1.140	3	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)2(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.4510	0.000	1	107.4510	0.000	1	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)2(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.4980	0.000	1	107.4980	0.000	1	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.3295	0.269	2	107.3295	0.073	2	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.2125	0.043	2	107.8357	0.427	3	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.0820	0.000	1	107.8357	0.427	3	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.2540	0.000	1	108.1773	0.693	3	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.6390	0.327	2	108.1773	0.693	3	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CO)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CO)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.8480	0.000	1	106.8480	0.000	1	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1715	0.121	2	108.1715	0.015	2	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HO)(H){2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3610	0.010	2	107.3610	0.000	2	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6855	0.197	2	107.6855	0.039	2	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|O<2>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.0730	0.000	1	105.0730	0.000	1	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HO)(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){1|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	103.1760	0.086	2	103.1760	0.007	2	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	102.1710	0.000	1	102.1710	0.000	1	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OS)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OS)(H){3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.2490	0.000	1	104.9433	0.088	3	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OS)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OS)(H){3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.7905	0.189	2	104.9433	0.088	3	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.1250	0.000	1	105.0225	0.021	2	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){2|C<4>,2|O<2>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.9200	0.000	1	105.0225	0.021	2	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OS)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OS)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.0430	0.000	1	105.0430	0.000	1	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.1440	0.000	1	105.1440	0.000	1	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6870	0.000	1	106.6870	0.000	1	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OSi)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OSi)(H){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.3125	0.032	2	105.3125	0.001	2	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.8180	0.000	1	108.3565	4.272	2	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|N<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8950	0.000	1	108.3565	4.272	2	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HO)(H){5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	101.9170	0.000	1	101.9170	0.000	1	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6220	0.000	1	107.5175	0.022	2	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4130	0.000	1	107.5175	0.022	2	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HO)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.8570	0.000	1	108.8570	0.000	1	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|S<2>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0210	0.000	1	108.0210	0.000	1	105.9273	2.950	79	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:S-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HS)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(SC[6a])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HS)(H){2|C<4>,2|O<2>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(SC[6a])(H){3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8560	0.000	1	106.8560	0.000	1	106.8560	0.000	1	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:S[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(S[6]C[6]OO)(H)	C[6](C[6,6]C[6,6]S[6]H)(C[6]O[6]CH)(OH)(H)	H(C[6,6]C[6,6]C[6]S[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(S[6]C[6]OO)(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]S[6]H)(C[6]O[6]CH)(OH)(H){1|H<1>,1|O<2>,2|C<4>,2|O<1>}	H(C[6,6]C[6,6]C[6]S[6])	107.6240	0.106	2	107.6240	0.011	2	107.6240	0.011	2	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6]C[3,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[3,6,6]C[3,6]2C[6])(C[6,6]C[6,6]C[6]H)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[3,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,4|H<1>}	C[6](C[3,6,6]C[3,6]2C[6])(C[6,6]C[6,6]C[6]H)(OC)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2750	0.000	1	108.2750	0.000	1	108.2750	0.000	1	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6,6]C[6]H)(OC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6,6]C[6]H)(OC)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.6220	0.000	1	107.6220	0.000	1	107.6220	0.000	1	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[3]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6]C[3]O[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[3]C[3]2H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[3]O[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[3]C[3]2H)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3050	0.348	2	107.3050	0.121	2	107.3050	0.121	2	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|C<3>,2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1910	0.000	1	107.1910	0.000	1	108.0500	0.472	5	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6110	0.000	1	107.6110	0.000	1	108.0500	0.472	5	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.9930	0.000	1	108.4827	0.197	3	108.0500	0.472	5	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2275	0.059	2	108.4827	0.197	3	108.0500	0.472	5	106.4690	2.923	348	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:2:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:S-2:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CS)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(SC[6a])(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CS)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(SC[6a])(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.0490	0.000	1	106.0490	0.000	1	106.0490	0.000	1	106.0490	0.000	1	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCC)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|H<1>,6|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCC)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.1050	0.000	1	107.1050	0.000	1	107.1050	0.000	1	107.3276	2.536	66	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(NOO)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6]2)	108.2380	0.236	2	108.2380	0.056	2	107.7585	0.341	4	107.3276	2.536	66	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HN)(C[6]O[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6,6]HH)(NCC)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HN)(C[6]O[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6,6]HH)(NCC)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.2790	0.215	2	107.2790	0.046	2	107.7585	0.341	4	107.3276	2.536	66	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,3x6]-4:C[6]-4:P[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]C)(C[6]C[6]CH)(P[6]O[6]CW)(H)	C[6](C[6,6]C[5,3x6]P[6]H)(C[6]P[5,5,6]CH)(CCH)(H)	H(C[6,6]C[5,3x6]C[6]P[6])	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]C)(C[6]C[6]CH)(P[6]O[6]CW)(H){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[5,3x6]P[6]H)(C[6]P[5,5,6]CH)(CCH)(H){1|O<2>,2|C<3>,2|W<6>,3|C<4>}	H(C[6,6]C[5,3x6]C[6]P[6])	106.3690	0.000	1	106.3690	0.000	1	106.3690	0.000	1	107.3276	2.536	66	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CHO)(H)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CHO)(H){1|N<3>,3|C<3>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	108.6720	0.000	1	108.6720	0.000	1	108.6720	0.000	1	107.3276	2.536	66	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0170	0.000	1	108.0170	0.000	1	108.0170	0.000	1	107.3276	2.536	66	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HN)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(NOO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HN)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(NOO)(H){2|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2230	0.000	1	108.2230	0.000	1	108.2230	0.000	1	107.3276	2.536	66	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:B[5]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]B[5]C[6]H)(C[6]C[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(B[5]O[5]2)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]B[5]C[6]H)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(B[5]O[5]2)(H){2|H<1>,8|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.8160	0.000	1	106.8160	0.000	1	106.8160	0.000	1	107.3276	2.536	66	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(CHO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(CHO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2270	0.000	1	108.2270	0.000	1	107.3811	2.993	48	107.3276	2.536	66	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(COO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(COO)(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.7070	0.000	1	106.7070	0.000	1	107.3811	2.993	48	107.3276	2.536	66	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9930	0.000	1	106.9930	0.000	1	107.3811	2.993	48	107.3276	2.536	66	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CCH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CCH)(H){3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2730	0.000	1	108.2730	0.000	1	107.3811	2.993	48	107.3276	2.536	66	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){3|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5110	0.127	2	108.5110	0.016	2	107.3811	2.993	48	107.3276	2.536	66	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.5450	0.000	1	106.5450	0.000	1	107.3811	2.993	48	107.3276	2.536	66	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHO)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4827	0.270	3	106.4827	0.073	3	107.3811	2.993	48	107.3276	2.536	66	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(CHN)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(CHN)(H){1|O<2>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.0320	0.000	1	108.0320	0.000	1	107.3811	2.993	48	107.3276	2.536	66	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(CHO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(CHO)(H){1|O<2>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.0380	0.000	1	108.0380	0.000	1	107.3811	2.993	48	107.3276	2.536	66	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	102.1510	0.000	1	102.1510	0.000	1	107.3811	2.993	48	107.3276	2.536	66	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHN)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)2(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHN)(H){1|C<3>,1|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.9290	0.000	1	105.9290	0.000	1	107.3811	2.993	48	107.3276	2.536	66	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)2(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHO)(H){1|C<3>,1|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.9890	0.000	1	106.9890	0.000	1	107.3811	2.993	48	107.3276	2.536	66	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(COO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(COO)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4795	0.067	2	107.4580	0.027	5	107.3811	2.993	48	107.3276	2.536	66	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(COO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|N<4>,1|O<2>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(COO)(H){3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2150	0.000	1	107.4580	0.027	5	107.3811	2.993	48	107.3276	2.536	66	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(COO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,1|N<4>,1|O<2>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(COO)(H){3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5580	0.157	2	107.4580	0.027	5	107.3811	2.993	48	107.3276	2.536	66	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3]C[6]O)(CCH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3]C[6]O)(CCH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.8640	0.579	3	108.8640	0.335	3	107.3811	2.993	48	107.3276	2.536	66	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7490	0.000	2	107.7490	0.000	2	107.3811	2.993	48	107.3276	2.536	66	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.7613	3.484	6	106.5353	9.102	9	107.3811	2.993	48	107.3276	2.536	66	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5580	0.068	2	106.5353	9.102	9	107.3811	2.993	48	107.3276	2.536	66	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1340	0.000	1	106.5353	9.102	9	107.3811	2.993	48	107.3276	2.536	66	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CN[5]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CN[5]O)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.0670	0.000	1	109.0670	0.000	1	107.3811	2.993	48	107.3276	2.536	66	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(COO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(COO)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4300	0.000	1	108.4300	0.000	1	107.3811	2.993	48	107.3276	2.536	66	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CCO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CCO)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4078	0.220	5	108.4078	0.048	5	107.3811	2.993	48	107.3276	2.536	66	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.7100	0.000	1	108.1915	0.538	2	107.3811	2.993	48	107.3276	2.536	66	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6730	0.000	1	108.1915	0.538	2	107.3811	2.993	48	107.3276	2.536	66	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H){3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2490	0.000	1	107.2490	0.000	1	107.3811	2.993	48	107.3276	2.536	66	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CCH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CCH)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.2700	0.000	1	106.2700	0.000	1	107.3811	2.993	48	107.3276	2.536	66	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(CC[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(CC[6]O)(H){3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.1040	0.000	1	106.1040	0.000	1	107.3811	2.993	48	107.3276	2.536	66	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCC)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3860	0.000	1	108.3860	0.000	1	107.3811	2.993	48	107.3276	2.536	66	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8110	0.000	1	107.8110	0.000	1	107.3811	2.993	48	107.3276	2.536	66	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){4|H<1>,7|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6600	0.000	1	107.6600	0.000	1	107.6600	0.000	1	107.3276	2.536	66	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2C)(NCH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HN)(H){4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2C)(NCH)(H){1|C<3>,4|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.7950	0.000	1	105.7950	0.000	1	105.7950	0.000	1	107.3276	2.536	66	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(N[6]C[6]2)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6]H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(N[6]C[6]2)(H){6|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	103.8880	0.000	1	103.8880	0.000	1	103.8880	0.000	1	107.3276	2.536	66	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(H){2|O<2>,3|C<4>,4|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9880	0.000	1	107.9880	0.000	1	107.9880	0.000	1	107.3276	2.536	66	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6]C[6a]H)2(C[6,6]N[6]O[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5,6]C[6a]H)2(C[6,6]N[6]O[6]H)(H){1|C<4>,9|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|O<1>,5|H<1>,7|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.1480	0.000	1	107.4010	0.049	3	107.4010	0.049	3	107.3276	2.536	66	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6]C[6a]H)2(C[6,6]N[6]O[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5,6]C[6a]H)2(C[6,6]N[6]O[6]H)(H){2|C<4>,8|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|O<1>,5|H<1>,7|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.5275	0.033	2	107.4010	0.049	3	107.4010	0.049	3	107.3276	2.536	66	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	N[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(COO)(H)	H(C[6,6]N[3x6]C[6]2)	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){5|C<4>,5|H<1>}	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(COO)(H){3|C<4>,5|H<1>}	H(C[6,6]N[3x6]C[6]2)	105.5630	0.000	1	105.5630	0.000	1	105.5630	0.000	1	107.3276	2.536	66	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(OH){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.2200	0.000	1	106.2200	0.000	1	106.8460	0.784	2	107.0327	0.496	3	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCO)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCO)(OH){1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4720	0.000	1	107.4720	0.000	1	106.8460	0.784	2	107.0327	0.496	3	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:S-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CS)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]O)(SC[6a])	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CS)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]O)(SC[6a]){1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4060	0.000	1	107.4060	0.000	1	107.4060	0.000	1	107.0327	0.496	3	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4570	0.000	1	106.4570	0.000	1	107.1257	0.399	3	106.0327	5.044	4	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(COO)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(COO)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4600	0.356	2	107.4600	0.127	2	107.1257	0.399	3	106.0327	5.044	4	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:N-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)(NCH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CN)(C[6]C[6]HH)(H){2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)(NCH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	102.7540	0.000	1	102.7540	0.000	1	102.7540	0.000	1	106.0327	5.044	4	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CN[6]O)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CN[6]O)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.8110	0.000	1	104.8110	0.000	1	105.4523	3.142	7	105.4523	3.142	7	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CN[5]O)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CN[5]O)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	103.8270	0.000	1	103.8270	0.000	1	105.4523	3.142	7	105.4523	3.142	7	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CN[6]O)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CN[6]O)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	103.8735	0.890	2	103.8735	0.793	2	105.4523	3.142	7	105.4523	3.142	7	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(CH3){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5750	0.000	1	107.2603	0.107	3	105.4523	3.142	7	105.4523	3.142	7	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(CH3){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1030	0.257	2	107.2603	0.107	3	105.4523	3.142	7	105.4523	3.142	7	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6]CH)(CH3)(H)	H(C[6,6]C[3,6,6]C[6,6]C[6])	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6]CH)(CH3)(H){1|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[3,6,6]C[6,6]C[6])	106.5560	0.000	1	106.5560	0.000	1	106.5560	0.000	1	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(CH3)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(CH3)(H){4|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.0000	0.000	1	107.1442	0.637	4	106.7624	0.239	17	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(CH3)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.8550	0.000	1	107.1442	0.637	4	106.7624	0.239	17	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(CH3)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(CH3)(H){4|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.3610	0.051	2	107.1442	0.637	4	106.7624	0.239	17	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.1720	0.000	1	107.0973	0.045	3	106.7624	0.239	17	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<2>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.2630	0.000	1	107.0973	0.045	3	106.7624	0.239	17	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.8570	0.000	1	107.0973	0.045	3	106.7624	0.239	17	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]HH)(CH3)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6a]C[6]H)(C[6]C[6]CH)(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]HH)(CH3)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.3780	0.000	1	106.3780	0.000	1	106.7624	0.239	17	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HN)(CH3)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<2>,2|C<4>,3|O<2>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HN)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6]2)	106.3240	0.000	1	106.3240	0.000	1	106.7624	0.239	17	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,4|O<2>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6]2)	106.5487	0.167	8	106.5487	0.028	8	106.7624	0.239	17	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(NH3)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(NH3)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6]2)	107.1370	0.000	1	107.1370	0.000	1	107.1370	0.000	1	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(CCCH)(H){2|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	103.7990	0.000	1	103.7990	0.000	1	103.7990	0.000	1	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	107.0730	0.302	4	107.0730	0.091	4	106.7347	0.795	12	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	107.4385	0.054	2	107.1815	0.099	4	106.7347	0.795	12	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	106.9245	0.170	2	107.1815	0.099	4	106.7347	0.795	12	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	105.8645	0.152	2	105.8645	0.023	2	106.7347	0.795	12	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	104.5520	0.000	1	104.5520	0.000	1	106.7347	0.795	12	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]N[5,6]C[6]O[5])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]N[5,6]C[6]O[5])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	107.5170	0.000	1	107.5170	0.000	1	106.7347	0.795	12	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(CCHH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H){1|C<3>,6|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(CCHH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.8440	0.000	1	106.8440	0.000	1	107.8583	0.772	3	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(CH3)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.3630	0.000	1	108.3630	0.000	1	107.8583	0.772	3	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.3680	0.000	1	108.3680	0.000	1	107.8583	0.772	3	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(CCHH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H){3|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(CCHH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.2390	0.000	1	108.2390	0.000	1	108.2390	0.000	1	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H){2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	103.7180	0.000	1	102.7472	6.221	3	103.7239	4.525	7	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]CH)(H){1|C<3>,5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H){2|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.6100	0.000	1	102.7472	6.221	3	103.7239	4.525	7	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]CH)(H){6|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H){2|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	99.9136	0.000	1	102.7472	6.221	3	103.7239	4.525	7	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CCHH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H){2|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CCHH)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	107.1180	0.000	1	107.1180	0.000	1	103.7239	4.525	7	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2O)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CCCH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2O)(C[6]C[6]CH)(H){1|O<2>,4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CCCH)(H){2|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]2C[6])	103.5693	0.356	3	103.5693	0.127	3	103.7239	4.525	7	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]H)(C[6]C[6]2H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]H)(C[6]C[6]2H)(H){2|C<4>,5|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)2(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.2470	0.000	1	107.2470	0.000	1	107.2470	0.000	1	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]CH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(CCCH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]CH)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(CCCH)(H){1|N<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.8340	0.000	1	106.6115	0.099	2	106.6115	0.099	2	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]CH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(CCCH)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]CH)(H){5|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(CCCH)(H){1|N<4>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.3890	0.000	1	106.6115	0.099	2	106.6115	0.099	2	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(CHHO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(CHHO)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.9610	0.000	1	105.9610	0.000	1	105.9610	0.000	1	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[3]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[3]C[6]H)(C[6]O[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[3]C[3,6]2H)(C[6]C[6]CH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[3]C[6]H)(C[6]O[6]CH)(H){4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[3]C[3,6]2H)(C[6]C[6]CH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1240	0.000	1	107.1240	0.000	1	107.1240	0.000	1	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]S[5]2)(CCHH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|S<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]S[5]2)(CCHH)(H){1|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9760	0.000	1	107.9760	0.000	1	107.9760	0.000	1	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5]C[6]H)(C[6]O[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5,6]C[5]H)(C[6]C[6]CH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5]C[6]H)(C[6]O[6]CH)(H){4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5,6]C[5]H)(C[6]C[6]CH)(H){1|C<3>,3|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5590	0.000	1	107.5590	0.000	1	107.5590	0.000	1	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(CCHH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(CCHH)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5390	0.000	1	107.5390	0.000	1	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(CCCH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(CCCH)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.3060	0.000	1	106.3060	0.000	1	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6,6]CH)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,5,6,6]CH)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHO)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.6730	0.000	1	108.6730	0.000	1	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.0610	0.000	1	106.0610	0.000	1	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(CH3)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9640	0.161	2	107.9640	0.026	2	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<1>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.6470	0.000	1	106.6470	0.000	1	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.7790	0.625	3	106.7790	0.391	3	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4810	0.000	2	105.8380	1.310	6	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	103.5270	0.000	1	105.8380	1.310	6	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.1070	0.000	2	105.8380	1.310	6	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.3250	0.000	1	105.8380	1.310	6	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CO)(CC[6a]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CO)(CC[6a]HH)(H){3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2750	0.000	1	107.2750	0.000	1	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HO)(CC[6a]CH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|N<3>,2|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HO)(CC[6a]CH)(H){3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3090	0.000	1	107.3090	0.000	1	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]C[6]C)(CCHH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]C[6]C)(CCHH)(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3020	0.000	1	108.3060	0.000	2	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]C[6]C)(CCHH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]C[6]C)(CCHH)(H){1|N<2>,1|O<2>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3100	0.000	1	108.3060	0.000	2	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2753	0.472	3	107.4123	0.223	4	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CH3)(H){2|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8230	0.000	1	107.4123	0.223	4	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0070	0.000	1	108.1815	0.061	2	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H){3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3560	0.000	1	108.1815	0.061	2	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(CC[6a]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(CC[6a]HH)(H){2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7395	0.011	2	107.7395	0.000	2	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HO)(H){2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3685	0.036	2	107.3685	0.001	2	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.4470	0.556	2	105.4470	0.309	2	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.7758	0.978	5	105.7758	0.957	5	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0390	0.000	1	107.0390	0.000	1	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.2272	0.700	4	106.2272	0.490	4	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2920	0.000	1	107.2920	0.000	1	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.2600	0.000	1	105.2600	0.000	1	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.8320	0.170	2	104.8723	0.019	3	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){2|C<4>,2|O<2>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.9530	0.000	1	104.8723	0.019	3	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]OO)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]OO)(CH3)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.1280	0.000	1	105.1280	0.000	1	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)2(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.9820	0.000	1	105.9820	0.000	1	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)2(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9620	0.000	1	106.9620	0.000	1	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)(CCHH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)(CCHH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.0340	0.000	1	106.0340	0.000	1	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(H){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3445	0.186	2	108.3445	0.035	2	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3560	0.000	1	106.7693	1.896	3	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.9760	0.124	2	106.7693	1.896	3	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6850	0.000	1	107.7555	0.051	4	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9940	0.000	1	107.7555	0.051	4	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6715	0.279	2	107.7555	0.051	4	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2920	0.000	1	107.2920	0.000	1	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.0800	0.000	1	105.0800	0.000	1	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	102.9185	0.033	2	102.5863	0.332	3	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HO)(H){5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){2|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	101.9220	0.000	1	102.5863	0.332	3	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<2>,1|N<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.2750	0.000	1	105.2750	0.000	1	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6]HH)(H){1|N<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8810	0.000	1	106.8810	0.000	1	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(H){1|N<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.1960	0.000	1	105.1960	0.000	1	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0345	0.166	2	108.0345	0.028	2	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(C[6]O[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(C[6]O[6]CH)(H){3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2160	0.129	2	108.2160	0.017	2	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]O[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]O[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|O<2>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6790	0.000	1	107.6790	0.000	1	106.6112	2.048	73	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]2H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]2H)(H){2|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0290	0.000	1	107.0290	0.000	1	107.0290	0.000	1	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(N[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(N[6]C[6]HH)(H){2|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.8270	0.000	1	107.8270	0.000	1	107.4520	0.281	2	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(N[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CN[6]HH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(N[6]C[6]HH)(H){2|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CN[6]HH)(H){3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.0770	0.000	1	107.0770	0.000	1	107.4520	0.281	2	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]N[6]O[6]H)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]N[6]O[6]H)(C[6]C[6]CH)(H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5800	0.000	1	107.5800	0.000	1	107.9067	0.097	3	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(C[6,6]O[6]2H)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CHHN)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(C[6,6]O[6]2H)(C[6]C[6]CH)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CHHN)(H){2|C<3>,3|H<1>,3|O<2>}	H(C[6,6]C[6,6]C[6]2)	108.0700	0.184	2	108.0700	0.034	2	107.9067	0.097	3	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.2530	0.626	2	108.2530	0.392	2	108.2530	0.392	2	106.6032	2.153	131	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:N-2:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NC)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NC){3|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6]2)	103.3590	0.000	1	105.0415	5.662	2	104.7167	3.147	3	105.0687	3.104	45	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:N-2:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NC)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CN)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NC){3|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.7240	0.000	1	105.0415	5.662	2	104.7167	3.147	3	105.0687	3.104	45	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:N-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NC)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NC){3|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6]2)	104.0670	0.000	1	104.0670	0.000	1	104.7167	3.147	3	105.0687	3.104	45	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CO)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(OH){3|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.9855	0.029	2	106.9855	0.001	2	106.9855	0.001	2	105.0687	3.104	45	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(CH3)(OH)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H){6|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(CH3)(OH){3|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.4720	0.044	2	107.4720	0.002	2	107.4720	0.002	2	105.0687	3.104	45	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:N-2:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6]C[6]CN)(H)	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(CCCH)(NN)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6]C[6]CN)(H){1|O<2>,2|C<4>,2|N<3>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(CCCH)(NN){3|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	107.9320	0.000	1	107.9320	0.000	1	107.9320	0.000	1	105.0687	3.104	45	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]N[5,6]H)(C[6]C[5,6]CO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(CH3)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]N[5,6]H)(C[6]C[5,6]CO)(C[6]C[6]HH)(H){1|C<3>,2|H<1>,6|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(CH3)(OH){1|C<3>,1|N<4>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9550	0.000	1	104.9550	0.000	1	104.9550	0.000	1	105.0687	3.104	45	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6,6]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(CH3)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6,6]CO)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(CH3)(OH){5|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6763	0.414	3	106.6763	0.172	3	106.6763	0.172	3	105.0687	3.104	45	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CN)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CN){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.4960	0.000	1	105.4960	0.000	1	105.4960	0.000	1	105.0687	3.104	45	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:N-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(NC)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(NC){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.7950	0.000	1	104.7950	0.000	1	104.7950	0.000	1	105.0687	3.104	45	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.6925	0.154	4	104.9340	0.309	5	104.5708	3.101	29	105.0687	3.104	45	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.9000	0.000	1	104.9340	0.309	5	104.5708	3.101	29	105.0687	3.104	45	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(OH){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.7620	0.000	1	105.7620	0.000	1	104.5708	3.101	29	105.0687	3.104	45	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(OH){2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0900	0.000	1	107.0900	0.000	1	104.5708	3.101	29	105.0687	3.104	45	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCO)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCO)(OH){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.8590	0.000	1	104.8590	0.000	1	104.5708	3.101	29	105.0687	3.104	45	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CO)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9920	0.000	1	105.3500	0.256	2	104.5708	3.101	29	105.0687	3.104	45	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CO)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.7080	0.000	1	105.3500	0.256	2	104.5708	3.101	29	105.0687	3.104	45	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HO)(C[6]C[6]CO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HO)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	103.1710	0.000	1	103.1710	0.000	1	104.5708	3.101	29	105.0687	3.104	45	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4250	0.000	1	104.1958	2.725	10	104.5708	3.101	29	105.0687	3.104	45	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.5240	0.000	1	104.1958	2.725	10	104.5708	3.101	29	105.0687	3.104	45	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	101.6740	0.742	2	104.1958	2.725	10	104.5708	3.101	29	105.0687	3.104	45	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.5535	0.258	2	104.1958	2.725	10	104.5708	3.101	29	105.0687	3.104	45	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.3885	0.285	4	104.1958	2.725	10	104.5708	3.101	29	105.0687	3.104	45	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OC)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OC){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	100.7750	0.000	1	100.7750	0.000	1	104.5708	3.101	29	105.0687	3.104	45	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	101.7385	1.961	2	102.8443	5.591	3	104.5708	3.101	29	105.0687	3.104	45	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.0560	0.000	1	102.8443	5.591	3	104.5708	3.101	29	105.0687	3.104	45	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.1410	0.000	1	105.1410	0.000	1	104.5708	3.101	29	105.0687	3.104	45	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OC)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OC){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4370	0.000	1	106.4370	0.000	1	104.5708	3.101	29	105.0687	3.104	45	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9250	0.000	1	106.9250	0.000	1	104.5708	3.101	29	105.0687	3.104	45	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.5320	0.000	1	106.5320	0.000	1	104.5708	3.101	29	105.0687	3.104	45	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OC)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OC){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.4630	0.000	1	104.4630	0.000	1	104.6335	0.058	2	105.0687	3.104	45	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.8040	0.000	1	104.8040	0.000	1	104.6335	0.058	2	105.0687	3.104	45	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,8|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO){4|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	104.7660	0.060	3	104.7660	0.004	3	104.7660	0.004	3	104.6559	0.574	113	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(CH3)(COO)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H){2|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(CH3)(COO){1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	101.6340	0.000	1	101.6340	0.000	1	101.6340	0.000	1	104.6559	0.574	113	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|N<2>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	103.8520	0.000	1	103.8520	0.000	1	104.6553	0.444	108	104.6559	0.574	113	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.3030	0.000	1	105.3030	0.000	1	104.6553	0.444	108	104.6559	0.574	113	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.1035	0.725	2	104.5762	0.246	16	104.6553	0.444	108	104.6559	0.574	113	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.6437	0.452	14	104.5762	0.246	16	104.6553	0.444	108	104.6559	0.574	113	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]CC)(H){3|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9020	0.000	1	104.9020	0.000	1	104.6553	0.444	108	104.6559	0.574	113	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(CCH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(CCH){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	103.8100	0.000	2	103.8100	0.000	2	104.6553	0.444	108	104.6559	0.574	113	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(CHO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(CHO){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.3606	1.234	5	105.3606	1.523	5	104.6553	0.444	108	104.6559	0.574	113	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH){1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	103.8340	0.000	1	103.8340	0.000	1	104.6553	0.444	108	104.6559	0.574	113	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CHO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CHO){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.7800	0.000	1	104.7800	0.000	1	104.6553	0.444	108	104.6559	0.574	113	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.4255	0.158	2	104.4596	0.251	39	104.6553	0.444	108	104.6559	0.574	113	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9052	0.345	6	104.4596	0.251	39	104.6553	0.444	108	104.6559	0.574	113	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.6355	0.169	6	104.4596	0.251	39	104.6553	0.444	108	104.6559	0.574	113	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.3790	0.011	2	104.4596	0.251	39	104.6553	0.444	108	104.6559	0.574	113	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.3680	0.154	2	104.4596	0.251	39	104.6553	0.444	108	104.6559	0.574	113	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.1112	0.251	21	104.4596	0.251	39	104.6553	0.444	108	104.6559	0.574	113	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(COO){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.0940	0.000	1	104.0940	0.000	1	104.6553	0.444	108	104.6559	0.574	113	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.0380	0.000	1	104.6060	0.146	7	104.6553	0.444	108	104.6559	0.574	113	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.7007	0.315	6	104.6060	0.146	7	104.6553	0.444	108	104.6559	0.574	113	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO){1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8780	0.000	1	106.8780	0.000	1	104.6553	0.444	108	104.6559	0.574	113	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCHH)(CHO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]CC)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCHH)(CHO){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.6130	0.000	1	105.6130	0.000	1	104.6553	0.444	108	104.6559	0.574	113	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CHN)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CHN){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.1550	0.000	1	104.1550	0.000	1	104.6553	0.444	108	104.6559	0.574	113	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CNN)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CNN){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.1730	0.000	1	105.1730	0.000	1	104.6553	0.444	108	104.6559	0.574	113	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CNO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CNO){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.5417	0.323	6	104.5417	0.105	6	104.6553	0.444	108	104.6559	0.574	113	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.7220	0.000	1	105.1444	0.513	16	104.6553	0.444	108	104.6559	0.574	113	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.1059	0.724	15	105.1444	0.513	16	104.6553	0.444	108	104.6559	0.574	113	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CH3)(CCH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CH3)(CCH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.8800	0.000	1	104.8800	0.000	1	104.6553	0.444	108	104.6559	0.574	113	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.2304	0.238	5	104.3240	0.098	6	104.6553	0.444	108	104.6559	0.574	113	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.7920	0.000	1	104.3240	0.098	6	104.6553	0.444	108	104.6559	0.574	113	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:N-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]S[6]HH)(CH3)(NHS)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|S<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]S[6]HH)(CH3)(NHS){1|C<3>,1|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4060	0.000	1	107.4060	0.000	1	107.4060	0.000	1	104.6559	0.574	113	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HN)(CH3)2	H(C[6,6]C[3,6,6]C[6]2)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HN)(CH3)2{4|C<4>,4|H<1>}	H(C[6,6]C[3,6,6]C[6]2)	104.9570	0.268	4	104.9570	0.072	4	105.0395	0.093	13	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6,6]C[3,6,6]C[6]2)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,7|H<1>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	H(C[6,6]C[3,6,6]C[6]2)	105.0761	0.328	9	105.0761	0.107	9	105.0395	0.093	13	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[3,6]C[6,6]C[6])	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H){2|Br<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[3,6]C[6,6]C[6])	106.9260	0.218	2	107.0733	0.063	4	106.5726	1.300	5	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[3,6]C[6,6]C[6])	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H){2|Cl<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[3,6]C[6,6]C[6])	107.2205	0.233	2	107.0733	0.063	4	106.5726	1.300	5	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[3,6]C[6,6]C[6])	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H){3|C<4>,6|H<1>}	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[3,6]C[6,6]C[6])	104.5700	0.000	1	104.5700	0.000	1	106.5726	1.300	5	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6]2)	103.0180	0.000	1	103.0180	0.000	1	104.3030	2.207	4	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){4|H<1>,6|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.4020	0.000	1	106.4020	0.000	1	104.3030	2.207	4	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[5a]HO)(CH3)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[5a]HO)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	103.8960	0.482	2	103.8960	0.233	2	104.3030	2.207	4	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(CH3)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(CH3)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	104.9150	0.000	1	104.9150	0.000	1	105.2770	2.202	11	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	106.2620	0.000	1	105.7830	0.174	3	105.2770	2.202	11	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	105.5020	0.000	1	105.7830	0.174	3	105.2770	2.202	11	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,3|O<2>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	105.5850	0.000	1	105.7830	0.174	3	105.2770	2.202	11	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>,4|O<2>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	107.4160	0.000	1	104.4600	7.913	3	105.2770	2.202	11	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	104.1480	0.000	1	104.4600	7.913	3	105.2770	2.202	11	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	101.8160	0.000	1	104.4600	7.913	3	105.2770	2.202	11	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	104.5870	0.000	1	104.8540	0.143	2	105.2770	2.202	11	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	105.1210	0.000	1	104.8540	0.143	2	105.2770	2.202	11	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,8|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	106.3475	0.385	2	106.3475	0.149	2	105.2770	2.202	11	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(CH3)2{1|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.7950	0.000	1	104.7950	0.000	1	104.5910	0.083	2	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[5,6]CC)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCHH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[5,6]CC)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCHH)(CH3){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.3870	0.000	1	104.3870	0.000	1	104.5910	0.083	2	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[5]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5]C[6]C)(C[6]C[6]HH)(H){3|O<2>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(CH3){6|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	103.5550	1.788	2	104.1703	2.734	3	104.1703	2.734	3	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[5]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5]C[6]C)(C[6]C[6]HH)(H){4|H<1>,4|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(CH3){6|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.4010	0.000	1	104.1703	2.734	3	104.1703	2.734	3	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.7843	0.338	3	104.7843	0.115	3	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.5290	0.000	1	104.5290	0.000	1	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.2550	0.000	1	105.2550	0.000	1	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.7240	0.000	1	104.7713	2.876	3	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	103.7950	0.178	2	104.7713	2.876	3	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.5260	0.000	1	104.5260	0.000	1	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	103.9150	0.170	2	103.9150	0.029	2	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.2710	0.000	1	104.2868	0.171	5	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.2908	0.477	4	104.2868	0.171	5	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.2060	0.610	8	104.3113	0.268	12	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.4085	0.122	2	104.3113	0.268	12	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.6350	0.093	2	104.3113	0.268	12	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.3390	0.000	1	104.3390	0.000	1	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.2830	0.072	2	104.2830	0.005	2	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.3770	0.000	1	104.6695	0.287	4	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.2535	0.018	2	104.6695	0.287	4	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.7940	0.000	1	104.6695	0.287	4	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.5760	0.000	1	104.4383	0.123	29	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.5366	0.241	7	104.4383	0.123	29	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.6406	0.177	5	104.4383	0.123	29	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.6600	0.000	1	104.4383	0.123	29	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.3290	0.000	1	104.4383	0.123	29	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.1480	0.000	1	104.4383	0.123	29	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|F<1>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.0550	0.000	1	104.4383	0.123	29	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.3321	0.453	12	104.4383	0.123	29	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.0150	0.000	1	104.0000	0.005	3	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.0600	0.000	1	104.0000	0.005	3	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	103.9250	0.000	1	104.0000	0.005	3	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.2370	0.000	1	104.3018	0.035	5	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.4925	0.046	2	104.3018	0.035	5	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.1435	0.103	2	104.3018	0.035	5	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.7657	0.367	7	104.7361	0.116	20	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.4050	0.000	1	104.7361	0.116	20	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.7190	0.877	2	104.7361	0.116	20	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.9425	0.166	2	104.7361	0.116	20	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.6903	0.254	7	104.7361	0.116	20	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,3|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.8030	0.000	1	104.7361	0.116	20	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.2050	0.000	1	104.6110	0.085	4	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.6775	0.077	2	104.6110	0.085	4	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.8840	0.000	1	104.6110	0.085	4	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3){1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	103.3590	0.000	1	103.3590	0.000	1	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	103.2310	0.000	1	103.2310	0.000	1	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	103.0180	0.000	1	103.0180	0.000	1	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.1580	0.000	1	106.1580	0.000	1	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.1490	0.000	1	106.1490	0.000	1	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6]O)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5a,6]C[6]O)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.6060	0.000	1	105.6060	0.000	1	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(C[6]C[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.8370	0.000	1	104.8370	0.000	1	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]CC)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9610	0.000	1	104.9610	0.000	1	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6]CC)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.7780	0.000	1	104.7780	0.000	1	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H){3|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.3870	0.000	1	105.3870	0.000	1	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(C[6]C[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(C[6]C[6]CC)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.2280	0.000	1	105.2280	0.000	1	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(CH3)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.5730	0.000	1	104.5730	0.000	1	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|Br<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CH3)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.6590	0.000	1	104.6590	0.000	1	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(CH3){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.1410	0.000	1	105.1410	0.000	1	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.4210	0.000	1	104.4210	0.000	1	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.0310	0.000	1	104.0310	0.000	1	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CH3)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.3840	0.000	1	104.3840	0.000	1	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.6702	0.373	6	104.1984	1.377	67	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9545	0.039	2	104.1984	1.377	67	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.7740	0.066	5	104.1984	1.377	67	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.1830	0.000	1	104.1984	1.377	67	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.4100	0.000	1	104.1984	1.377	67	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.6149	0.272	8	104.1984	1.377	67	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.5710	0.047	2	104.1984	1.377	67	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.5943	0.171	3	104.1984	1.377	67	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.5980	0.156	2	104.1984	1.377	67	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9020	0.000	1	104.1984	1.377	67	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9590	0.518	2	104.1984	1.377	67	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	103.4820	0.000	1	104.1984	1.377	67	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	103.9870	0.081	2	104.1984	1.377	67	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	103.6964	1.545	31	104.1984	1.377	67	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.0913	0.284	3	104.9783	1.025	8	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.7170	0.000	1	104.9783	1.025	8	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|Cr<9>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0850	0.000	1	104.9783	1.025	8	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9770	0.000	1	104.9783	1.025	8	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	103.8865	0.288	2	104.9783	1.025	8	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HI)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|I<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HI)(CH3)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.4790	0.344	2	104.4790	0.118	2	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.4780	0.000	1	104.4647	0.448	118	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.1320	0.202	3	104.4647	0.448	118	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.0790	0.000	1	104.4647	0.448	118	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.4067	1.376	15	104.4647	0.448	118	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.0120	0.000	1	104.4647	0.448	118	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.4780	0.230	14	104.4647	0.448	118	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.8300	0.000	1	104.4647	0.448	118	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.0493	0.219	4	104.4647	0.448	118	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9885	0.094	2	104.4647	0.448	118	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.0680	0.198	2	104.4647	0.448	118	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.6205	0.097	2	104.4647	0.448	118	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.1650	1.166	3	104.4647	0.448	118	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	103.8802	1.363	5	104.4647	0.448	118	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.3611	0.302	60	104.4647	0.448	118	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.2443	0.131	3	104.4647	0.448	118	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,3|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.3970	0.000	1	104.4647	0.448	118	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.7845	1.060	4	104.7859	0.734	15	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.8210	0.000	1	104.7859	0.734	15	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.8475	0.640	2	104.7859	0.734	15	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.2668	0.223	8	104.7859	0.734	15	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.4210	0.000	1	104.4210	0.000	1	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SiH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|Si<4>,1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SiH)(CH3)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.8620	0.000	1	104.8620	0.000	1	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	103.1750	0.000	1	104.5380	0.434	9	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.3550	0.000	1	104.5380	0.434	9	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.3140	0.251	3	104.5380	0.434	9	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.0925	0.154	4	104.5380	0.434	9	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.5631	0.919	9	104.5631	0.845	9	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]B[5]C[6]H)(C[6]C[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]B[5]C[6]H)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(CH3){1|B<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8190	0.000	1	106.8190	0.000	1	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCHH)(CHHO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]CC)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCHH)(CHHO){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1080	0.000	1	107.1080	0.000	1	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.1800	0.000	1	104.1800	0.000	1	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.7200	0.000	1	104.7200	0.000	1	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	103.4090	0.000	1	103.4040	1.340	4	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	103.4023	1.418	3	103.4040	1.340	4	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHHO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.2030	1.710	3	104.2030	2.922	3	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.7300	0.520	3	104.8496	0.125	9	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9093	0.280	6	104.8496	0.125	9	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.8380	0.000	1	104.8263	0.239	13	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.8253	0.510	12	104.8263	0.239	13	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CN[5a]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CN[5a]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.1790	0.000	1	105.1790	0.000	1	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.4890	0.703	2	104.4890	0.494	2	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.6580	0.037	4	104.7208	0.011	6	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.8465	0.059	2	104.7208	0.011	6	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SeH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|Se<2>,1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SeH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.3980	0.000	1	104.3980	0.000	1	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]N[6]HH)(H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)(CH3)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.3210	0.000	1	104.3210	0.000	1	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]O[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]O[6]HO)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	103.1560	0.144	2	103.1560	0.021	2	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|Br<1>,1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CH3)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.4550	0.000	1	105.4550	0.000	1	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.4830	0.000	1	104.6494	0.080	11	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.5387	0.286	6	104.6494	0.080	11	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.6670	0.000	1	104.6494	0.080	11	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9203	0.187	3	104.6494	0.080	11	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9900	0.116	2	104.9900	0.013	2	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	103.2398	2.907	3	103.2398	8.450	3	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]HH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	102.9138	2.628	6	102.9138	6.906	6	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.6660	0.000	1	104.5481	0.027	33	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.8050	0.051	2	104.5481	0.027	33	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.9100	0.000	1	104.5481	0.027	33	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.5170	0.121	6	104.5481	0.027	33	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.4550	0.000	1	104.5481	0.027	33	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.5593	0.165	3	104.5481	0.027	33	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.5087	0.152	19	104.5481	0.027	33	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.2480	0.000	1	104.7287	0.218	3	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.5950	0.000	1	104.7287	0.218	3	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.3430	0.000	1	104.7287	0.218	3	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.6460	0.000	1	104.4903	0.021	3	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.4650	0.000	1	104.4903	0.021	3	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.3600	0.000	1	104.4903	0.021	3	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.8750	0.000	1	104.6463	0.079	6	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.6350	0.000	1	104.6463	0.079	6	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.4000	0.000	1	104.6463	0.079	6	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.0840	0.000	1	104.6463	0.079	6	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.4420	0.069	2	104.6463	0.079	6	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.2210	0.345	2	104.3370	0.100	3	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.5690	0.000	1	104.3370	0.100	3	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.0630	0.000	1	103.8023	1.193	3	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HO)(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	103.1720	0.044	2	103.8023	1.193	3	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4410	0.000	1	106.3000	0.040	2	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.1590	0.000	1	106.3000	0.040	2	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|Br<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.3527	0.265	3	105.3648	0.063	12	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|Cl<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.5927	0.333	3	105.3648	0.063	12	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|I<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.2553	0.119	3	105.3648	0.063	12	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|Cl<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.2587	0.203	3	105.3648	0.063	12	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]ClH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]ClH)(CH3)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9055	0.131	2	104.9055	0.017	2	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CH3)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.0125	0.234	2	105.0125	0.055	2	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9580	0.000	1	104.9580	0.000	1	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HI)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H){1|C<4>,1|I<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HI)(CH3)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.8500	0.061	2	104.8500	0.004	2	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.2780	0.000	1	105.2780	0.000	1	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|S<4>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.7973	0.109	4	104.7973	0.012	4	104.5061	0.724	489	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H)(C[6]C[6]CH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H)(C[6]C[6]CH)(CH3){2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.8375	0.310	4	104.8932	0.073	6	104.8932	0.073	6	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H)(C[6]C[6]CH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H)(C[6]C[6]CH)(CH3){3|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.0045	0.204	2	104.8932	0.073	6	104.8932	0.073	6	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:S-4:S-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)(C[6]C[6]SS)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)(C[6]C[6]SS)(H){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO)2{1|O<2>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	103.5310	0.000	1	103.5310	0.000	1	103.5310	0.000	1	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6]C[5]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5]O[5]2H)(C[6]C[6]CH)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5]O[5]2H)(C[6]C[6]CH)(CH3){1|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.2220	0.000	1	106.2220	0.000	1	106.2220	0.000	1	104.5568	0.805	535	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	5:4:4:1:	4:4:1:1:	4:	B[6,6]-5:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]AlHH)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]AlHH)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Al<6>,2|C<4>,2|H<2>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.3307	0.367	4	108.5413	0.137	7	107.9580	2.624	132	107.9580	2.624	132	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	5:4:4:1:	4:4:1:1:	4:	B[6,6]-5:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]AlHH)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]AlHH)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Al<7>,2|C<4>,2|H<2>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.8220	0.019	3	108.5413	0.137	7	107.9580	2.624	132	107.9580	2.624	132	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	5:4:4:1:	4:4:1:1:	4:	B[6,6]-5:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]EuHH)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]EuHH)(C[6]C[6]HH)2(H){1|H<2>,2|C<4>,4|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Eu<12>,1|C<4>,1|C<5>,2|H<2>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	105.7730	2.036	2	105.2608	10.959	6	107.9580	2.624	132	107.9580	2.624	132	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	5:4:4:1:	4:4:1:1:	4:	B[6,6]-5:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]EuHH)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]EuHH)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Eu<12>,2|C<4>,2|H<2>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	105.0047	4.077	4	105.2608	10.959	6	107.9580	2.624	132	107.9580	2.624	132	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	5:4:4:1:	4:4:1:1:	4:	B[6,6]-5:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]HHY)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]HHY)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Y<13>,2|C<4>,2|H<2>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.5430	0.365	4	108.5430	0.133	4	107.9580	2.624	132	107.9580	2.624	132	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	5:4:4:1:	4:4:1:1:	4:	B[6,6]-5:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]MnHH)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]MnHH)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Mn<7>,2|C<4>,2|H<2>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.1440	0.007	2	108.1440	0.000	2	107.9580	2.624	132	107.9580	2.624	132	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	5:4:4:1:	4:4:1:1:	4:	B[6,6]-5:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]RaHH)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]RaHH)(C[6]C[6]HH)2(H){1|H<2>,2|C<4>,4|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ra<20>,1|C<4>,1|C<5>,2|H<2>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	105.1303	5.224	4	105.1303	27.292	4	107.9580	2.624	132	107.9580	2.624	132	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	5:4:4:1:	4:4:1:1:	4:	B[6,6]-5:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]RhHO)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]RhHO)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Rh<7>,1|H<2>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.5877	0.036	4	108.5877	0.001	4	107.9580	2.624	132	107.9580	2.624	132	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	5:4:4:1:	4:4:1:1:	4:	B[6,6]-5:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]RuCH)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]RuCH)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ru<9>,1|C<5>,1|H<2>,2|C<4>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.3918	0.079	4	108.3918	0.006	4	107.9580	2.624	132	107.9580	2.624	132	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	5:4:4:1:	4:4:1:1:	4:	B[6,6]-5:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]ScHH)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]ScHH)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Sc<13>,2|C<4>,2|H<2>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.8588	0.529	8	108.8588	0.279	8	107.9580	2.624	132	107.9580	2.624	132	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	5:4:4:1:	4:4:1:1:	4:	B[6,6]-5:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]ThHH)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]ThHH)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Th<12>,2|C<4>,2|H<2>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.4608	0.110	4	108.4608	0.012	4	107.9580	2.624	132	107.9580	2.624	132	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	5:4:4:1:	4:4:1:1:	4:	B[6,6]-5:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]TiHH)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]TiHH)(C[6]C[6]HH)2(H){1|H<2>,2|C<4>,4|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ti<12>,1|C<4>,1|C<5>,2|H<2>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.5422	0.039	5	107.8409	1.393	61	107.9580	2.624	132	107.9580	2.624	132	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	5:4:4:1:	4:4:1:1:	4:	B[6,6]-5:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]TiHH)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]TiHH)(C[6]C[6]HH)2(H){1|H<2>,2|C<4>,4|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ti<13>,1|C<4>,1|C<5>,2|H<2>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	107.7785	1.128	4	107.8409	1.393	61	107.9580	2.624	132	107.9580	2.624	132	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	5:4:4:1:	4:4:1:1:	4:	B[6,6]-5:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]TiHH)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]TiHH)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ti<10>,2|C<4>,2|H<2>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	106.1252	0.516	4	107.8409	1.393	61	107.9580	2.624	132	107.9580	2.624	132	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	5:4:4:1:	4:4:1:1:	4:	B[6,6]-5:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]TiHH)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]TiHH)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ti<11>,2|C<4>,2|H<2>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	107.1878	0.658	6	107.8409	1.393	61	107.9580	2.624	132	107.9580	2.624	132	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	5:4:4:1:	4:4:1:1:	4:	B[6,6]-5:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]TiHH)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]TiHH)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ti<12>,2|C<4>,2|H<2>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.1769	1.118	34	107.8409	1.393	61	107.9580	2.624	132	107.9580	2.624	132	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	5:4:4:1:	4:4:1:1:	4:	B[6,6]-5:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]TiHH)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]TiHH)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ti<13>,2|C<4>,2|H<2>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	107.3533	1.359	8	107.8409	1.393	61	107.9580	2.624	132	107.9580	2.624	132	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	5:4:4:1:	4:4:1:1:	4:	B[6,6]-5:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]TiHO)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]TiHO)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ti<10>,1|H<2>,1|O<3>,2|C<4>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.6335	0.184	4	108.6335	0.034	4	107.9580	2.624	132	107.9580	2.624	132	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	5:4:4:1:	4:4:1:1:	4:	B[6,6]-5:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]ZrHH)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]ZrHH)(C[6]C[6]HH)2(H){1|H<2>,2|C<4>,4|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Zr<14>,1|C<4>,1|C<5>,2|H<2>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	107.8560	0.796	2	108.4440	0.982	24	107.9580	2.624	132	107.9580	2.624	132	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6]	H	5:4:4:1:	4:4:1:1:	4:	B[6,6]-5:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]ZrHH)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]ZrHH)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Zr<14>,2|C<4>,2|H<2>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.4975	1.004	22	108.4440	0.982	24	107.9580	2.624	132	107.9580	2.624	132	107.0612	3.104	10893	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6x6]	H	4:3:1:1:	4:4:4:4:	4:	C[6x6]-4:C[6,6]-3:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]O)(H)2	C[6x6](C[4x6]C[3x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)	H(C[6,6]C[6,6]C[6x6]H)	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]O)(H)2{5|C<4>,5|H<1>}	C[6x6](C[4x6]C[3x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH){1|N<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6x6]H)	115.2115	0.251	2	115.2115	0.063	2	113.3300	10.652	3	113.3300	10.652	3	109.6104	1.845	69	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6x6]	H	4:3:1:1:	4:4:4:4:	4:	C[6x6]-4:C[6,6]-3:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]O)(H)2	C[6x6](C[4x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)2	H(C[6,6]C[6,6]C[6x6]H)	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]O)(H)2{5|C<4>,5|H<1>}	C[6x6](C[4x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)2{1|O<1>,2|O<2>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6x6]H)	109.5670	0.000	1	109.5670	0.000	1	113.3300	10.652	3	113.3300	10.652	3	109.6104	1.845	69	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6x6]	H	4:3:2:1:	4:4:4:4:	4:	C[6x6]-4:C[6,6]-3:O-2:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]C)(OC)(H)	C[6x6](C[4x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)	H(C[6,6]C[6,6]C[6x6]O)	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]C)(OC)(H){1|C<3>,4|C<4>,5|H<1>}	C[6x6](C[4x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO){1|C<3>,1|N<2>,1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6x6]O)	110.0590	0.243	2	110.0590	0.059	2	110.0590	0.059	2	110.0590	0.059	2	109.6104	1.845	69	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6x6]	H	4:4:1:1:	3:4:4:4:	4:	C[6x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-3:C[4x6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]CH)(H)2	C[6x6](C[4x6]C[5,6,6]C[6,6])(C[4x6]C[3x6]C[6,6]O)(C[6,6]C[6,6]HH)2	H(C[6,6]C[6,6]C[6x6]H)	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6x6](C[4x6]C[5,6,6]C[6,6])(C[4x6]C[3x6]C[6,6]O)(C[6,6]C[6,6]HH)2{1|C<3>,1|N<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6x6]H)	109.6600	0.034	2	109.6600	0.001	2	109.5240	0.056	3	109.5240	0.056	3	109.6104	1.845	69	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6x6]	H	4:4:1:1:	3:4:4:4:	4:	C[6x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-3:C[4x6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[5,4x6]HH)(H)2	C[6x6](C[4x6]C[5,6,6]C[6,6])(C[4x6]C[3x6]C[6,6]O)(C[6,6]C[6,6]HH)2	H(C[6,6]C[6,6]C[6x6]H)	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[5,4x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6x6](C[4x6]C[5,6,6]C[6,6])(C[4x6]C[3x6]C[6,6]O)(C[6,6]C[6,6]HH)2{1|C<3>,1|N<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6x6]H)	109.2520	0.000	1	109.2520	0.000	1	109.5240	0.056	3	109.5240	0.056	3	109.6104	1.845	69	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6x6]	H	4:4:1:1:	4:4:4:3:	4:	C[6x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[4x6]HH)(H)2	C[6x6](C[4x6]C[3x6]C[6,6]H)(C[4x6]C[6,6]2H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)	H(C[6,6]C[6,6]C[6x6]H)	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[4x6]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6x6](C[4x6]C[3x6]C[6,6]H)(C[4x6]C[6,6]2H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O){1|C<3>,1|O<1>,2|C<4>,2|O<2>,6|H<1>}	H(C[6,6]C[6,6]C[6x6]H)	109.7770	0.004	2	109.7530	0.001	4	109.8015	0.008	6	109.8015	0.008	6	109.6104	1.845	69	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6x6]	H	4:4:1:1:	4:4:4:3:	4:	C[6x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[4x6]HH)(H)2	C[6x6](C[4x6]C[3x6]C[6,6]H)(C[4x6]C[6,6]2H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)	H(C[6,6]C[6,6]C[6x6]H)	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[4x6]HH)(H)2{1|O<1>,2|H<1>,6|C<4>}	C[6x6](C[4x6]C[3x6]C[6,6]H)(C[4x6]C[6,6]2H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O){3|C<4>,4|O<2>,7|H<1>}	H(C[6,6]C[6,6]C[6x6]H)	109.7290	0.037	2	109.7530	0.001	4	109.8015	0.008	6	109.8015	0.008	6	109.6104	1.845	69	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6x6]	H	4:4:1:1:	4:4:4:3:	4:	C[6x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[5,4x6]HH)(H)2	C[6x6](C[4x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)	H(C[6,6]C[6,6]C[6x6]H)	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[5,4x6]HH)(H)2{1|O<1>,2|H<1>,6|C<4>}	C[6x6](C[4x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O){1|N<3>,1|O<2>,3|C<4>,9|H<1>}	H(C[6,6]C[6,6]C[6x6]H)	109.8985	0.098	2	109.8985	0.010	2	109.8015	0.008	6	109.8015	0.008	6	109.6104	1.845	69	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6x6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,3x6]-4:C[6x6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,3x6]N[5,6,6]H)(C[6x6]C[4x6]2C[6,6])(H)2	C[6x6](C[4x6]C[3x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)	H(C[6,6]C[5,3x6]C[6x6]H)	C[6,6](C[5,3x6]C[5,3x6]N[5,6,6]H)(C[6x6]C[4x6]2C[6,6])(H)2{1|C<3>,5|H<1>,6|C<4>}	C[6x6](C[4x6]C[3x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH){1|N<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[5,3x6]C[6x6]H)	109.0785	1.735	2	109.0785	3.009	2	109.0785	3.009	2	109.3751	1.088	55	109.6104	1.845	69	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6x6]-4:C[3x6]-4:H-1:H-1:	C[5x6]-4:C[5x6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6x6]C[5x6]2C[6,6])(C[3x6]C[6,6]2C)(H)2	C[6x6](C[5x6]C[4x6]2H)2(C[6,6]C[3x6]HH)2	H(C[6,6]C[3x6]C[6x6]H)	C[6,6](C[6x6]C[5x6]2C[6,6])(C[3x6]C[6,6]2C)(H)2{5|C<4>,8|H<1>}	C[6x6](C[5x6]C[4x6]2H)2(C[6,6]C[3x6]HH)2{1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[3x6]C[6x6]H)	108.5783	0.745	3	108.5783	0.554	3	108.9679	0.929	13	109.3751	1.088	55	109.6104	1.845	69	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6x6]-4:C[3x6]-4:H-1:H-1:	C[5x6]-4:C[5x6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6x6]C[5x6]2C[6,6])(C[3x6]C[6,6]2C)(H)2	C[6x6](C[5x6]C[4x6]C[5x6]H)2(C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH)	H(C[6,6]C[3x6]C[6x6]H)	C[6,6](C[6x6]C[5x6]2C[6,6])(C[3x6]C[6,6]2C)(H)2{5|C<4>,8|H<1>}	C[6x6](C[5x6]C[4x6]C[5x6]H)2(C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH){1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[3x6]C[6x6]H)	109.5840	1.544	2	109.5840	2.385	2	108.9679	0.929	13	109.3751	1.088	55	109.6104	1.845	69	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6x6]-4:C[3x6]-4:H-1:H-1:	C[5x6]-4:C[5x6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6x6]C[5x6]2C[6,6])(C[3x6]C[6,6]2H)(H)2	C[6x6](C[5x6]C[4x6]2H)2(C[6,6]C[3x6]HH)2	H(C[6,6]C[3x6]C[6x6]H)	C[6,6](C[6x6]C[5x6]2C[6,6])(C[3x6]C[6,6]2H)(H)2{5|C<4>,8|H<1>}	C[6x6](C[5x6]C[4x6]2H)2(C[6,6]C[3x6]HH)2{1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[3x6]C[6x6]H)	109.5113	0.182	4	109.5113	0.033	4	108.9679	0.929	13	109.3751	1.088	55	109.6104	1.845	69	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6x6]-4:C[3x6]-4:H-1:H-1:	C[5x6]-4:C[5x6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6x6]C[5x6]2C[6,6])(C[3x6]C[6,6]2H)(H)2	C[6x6](C[5x6]C[4x6]C[5x6]H)2(C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH)	H(C[6,6]C[3x6]C[6x6]H)	C[6,6](C[6x6]C[5x6]2C[6,6])(C[3x6]C[6,6]2H)(H)2{5|C<4>,8|H<1>}	C[6x6](C[5x6]C[4x6]C[5x6]H)2(C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH){6|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6x6]H)	108.1300	0.711	2	108.1300	0.506	2	108.9679	0.929	13	109.3751	1.088	55	109.6104	1.845	69	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6x6]-4:C[3x6]-4:H-1:H-1:	C[5x6]-4:C[5x6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6x6]C[5x6]2C[6,6])(C[3x6]C[6,6]2P)(H)2	C[6x6](C[5x6]C[4x6]C[5x6]H)2(C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH)	H(C[6,6]C[3x6]C[6x6]H)	C[6,6](C[6x6]C[5x6]2C[6,6])(C[3x6]C[6,6]2P)(H)2{5|C<4>,8|H<1>}	C[6x6](C[5x6]C[4x6]C[5x6]H)2(C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH){1|P<4>,5|H<1>,6|C<4>}	H(C[6,6]C[3x6]C[6x6]H)	108.6875	1.757	2	108.6875	3.088	2	108.9679	0.929	13	109.3751	1.088	55	109.6104	1.845	69	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6x6]-4:C[6x6]-4:	C[6,6]-4:	C[6,6](C[6x6]C[6,6]C[6x6]2)(C[3x6]C[6,6]2H)(H)2	C[6x6](C[6,6]C[3x6]HH)2(C[6x6]C[6x6]2H)(C[6x6]C[6x6]2O)	H(C[6,6]C[3x6]C[6x6]H)	C[6,6](C[6x6]C[6,6]C[6x6]2)(C[3x6]C[6,6]2H)(H)2{1|O<2>,5|C<4>,7|H<1>}	C[6x6](C[6,6]C[3x6]HH)2(C[6x6]C[6x6]2H)(C[6x6]C[6x6]2O){10|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6x6]H)	109.4145	0.749	6	109.4145	0.561	6	109.5353	0.858	24	109.3751	1.088	55	109.6104	1.845	69	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6x6]-4:C[6x6]-4:	C[6,6]-4:	C[6,6](C[6x6]C[6,6]C[6x6]2)(C[3x6]C[6,6]2H)(H)2	C[6x6](C[6,6]C[3x6]HH)2(C[6x6]C[6x6]2H)2	H(C[6,6]C[3x6]C[6x6]H)	C[6,6](C[6x6]C[6,6]C[6x6]2)(C[3x6]C[6,6]2H)(H)2{5|C<4>,8|H<1>}	C[6x6](C[6,6]C[3x6]HH)2(C[6x6]C[6x6]2H)2{10|C<4>,1|H<1>,1|P<4>}	H(C[6,6]C[3x6]C[6x6]H)	108.7773	1.818	3	109.5556	1.056	15	109.5353	0.858	24	109.3751	1.088	55	109.6104	1.845	69	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6x6]-4:C[6x6]-4:	C[6,6]-4:	C[6,6](C[6x6]C[6,6]C[6x6]2)(C[3x6]C[6,6]2H)(H)2	C[6x6](C[6,6]C[3x6]HH)2(C[6x6]C[6x6]2H)2	H(C[6,6]C[3x6]C[6x6]H)	C[6,6](C[6x6]C[6,6]C[6x6]2)(C[3x6]C[6,6]2H)(H)2{5|C<4>,8|H<1>}	C[6x6](C[6,6]C[3x6]HH)2(C[6x6]C[6x6]2H)2{10|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6x6]H)	109.7502	0.732	12	109.5556	1.056	15	109.5353	0.858	24	109.3751	1.088	55	109.6104	1.845	69	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6x6]-4:C[6x6]-4:	C[6,6]-4:	C[6,6](C[6x6]C[6,6]C[6x6]2)(C[3x6]C[6,6]2P)(H)2	C[6x6](C[6,6]C[3x6]HH)2(C[6x6]C[6x6]2H)2	H(C[6,6]C[3x6]C[6x6]H)	C[6,6](C[6x6]C[6,6]C[6x6]2)(C[3x6]C[6,6]2P)(H)2{5|C<4>,8|H<1>}	C[6x6](C[6,6]C[3x6]HH)2(C[6x6]C[6x6]2H)2{10|C<4>,1|H<1>,1|P<4>}	H(C[6,6]C[3x6]C[6x6]H)	109.6753	1.002	3	109.6753	1.003	3	109.5353	0.858	24	109.3751	1.088	55	109.6104	1.845	69	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6x6]-4:C[4x6]-4:H-1:H-1:	C[5x6]-4:C[5x6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6x6]C[5x6]2C[6,6])(C[4x6]C[4x6]2H)(H)2	C[6x6](C[5x6]C[4x6]C[5x6]H)2(C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH)	H(C[6,6]C[4x6]C[6x6]H)	C[6,6](C[6x6]C[5x6]2C[6,6])(C[4x6]C[4x6]2H)(H)2{6|H<1>,7|C<4>}	C[6x6](C[5x6]C[4x6]C[5x6]H)2(C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH){1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[4x6]C[6x6]H)	108.5060	3.454	2	109.4027	4.247	6	109.4027	4.247	6	109.3751	1.088	55	109.6104	1.845	69	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6x6]-4:C[4x6]-4:H-1:H-1:	C[5x6]-4:C[5x6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6x6]C[5x6]2C[6,6])(C[4x6]C[4x6]2H)(H)2	C[6x6](C[5x6]C[4x6]C[5x6]H)2(C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH)	H(C[6,6]C[4x6]C[6x6]H)	C[6,6](C[6x6]C[5x6]2C[6,6])(C[4x6]C[4x6]2H)(H)2{6|H<1>,7|C<4>}	C[6x6](C[5x6]C[4x6]C[5x6]H)2(C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH){1|P<4>,5|H<1>,6|C<4>}	H(C[6,6]C[4x6]C[6x6]H)	108.8085	1.278	2	109.4027	4.247	6	109.4027	4.247	6	109.3751	1.088	55	109.6104	1.845	69	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6x6]-4:C[4x6]-4:H-1:H-1:	C[5x6]-4:C[5x6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6x6]C[5x6]2C[6,6])(C[4x6]C[4x6]2H)(H)2	C[6x6](C[5x6]C[4x6]C[5x6]H)2(C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH)	H(C[6,6]C[4x6]C[6x6]H)	C[6,6](C[6x6]C[5x6]2C[6,6])(C[4x6]C[4x6]2H)(H)2{6|H<1>,7|C<4>}	C[6x6](C[5x6]C[4x6]C[5x6]H)2(C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH){6|C<4>,6|H<1>}	H(C[6,6]C[4x6]C[6x6]H)	110.8935	0.957	2	109.4027	4.247	6	109.4027	4.247	6	109.3751	1.088	55	109.6104	1.845	69	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]HH)(H)2	C[6x6](C[4x6]C[6,6]2H)2(C[6,6]C[6,6]HH)2	H(C[6,6]C[6,6]C[6x6]H)	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,4|H<1>,5|C<4>}	C[6x6](C[4x6]C[6,6]2H)2(C[6,6]C[6,6]HH)2{12|H<1>,2|C<4>}	H(C[6,6]C[6,6]C[6x6]H)	109.4075	0.008	2	109.4537	0.006	3	109.5626	0.035	10	109.3751	1.088	55	109.6104	1.845	69	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]HH)(H)2	C[6x6](C[4x6]C[6,6]2H)2(C[6,6]C[6,6]HH)2	H(C[6,6]C[6,6]C[6x6]H)	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]HH)(H)2{5|C<4>,5|H<1>}	C[6x6](C[4x6]C[6,6]2H)2(C[6,6]C[6,6]HH)2{12|H<1>,2|C<4>}	H(C[6,6]C[6,6]C[6x6]H)	109.5460	0.000	1	109.4537	0.006	3	109.5626	0.035	10	109.3751	1.088	55	109.6104	1.845	69	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[5,4x6]HH)(H)2	C[6x6](C[4x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)	H(C[6,6]C[6,6]C[6x6]H)	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[5,4x6]HH)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6x6](C[4x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO){1|C<3>,1|N<2>,1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6x6]H)	109.5122	0.150	5	109.5122	0.022	5	109.5626	0.035	10	109.3751	1.088	55	109.6104	1.845	69	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6,6]	C[6x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[5,4x6]HH)(H)2	C[6x6](C[4x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)2	H(C[6,6]C[6,6]C[6x6]H)	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[5,4x6]HH)(H)2{1|C<3>,4|H<1>,5|C<4>}	C[6x6](C[4x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)2{1|O<1>,2|O<2>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6x6]H)	109.8520	0.010	2	109.8520	0.000	2	109.5626	0.035	10	109.3751	1.088	55	109.6104	1.845	69	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	3:4:1:1:	3:4:3:1:	4:	C[5a,6]-3:C[3x6]-4:H-1:H-1:	N[4x6]-3:C[6]-4:C[6,6]-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(H)2	C[3x6](N[4x6]C[3x6]C[6,6])(C[6]C[5a,6]HH)(C[6,6]C[3x6]O)(H)	H(C[6]C[5a,6]C[3x6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[3x6](N[4x6]C[3x6]C[6,6])(C[6]C[5a,6]HH)(C[6,6]C[3x6]O)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[3x6]H)	110.0625	0.006	2	110.0252	0.005	8	110.0252	0.005	8	110.0252	0.005	8	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	3:4:1:1:	3:4:3:1:	4:	C[5a,6]-3:C[3x6]-4:H-1:H-1:	N[4x6]-3:C[6]-4:C[6,6]-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(H)2	C[3x6](N[4x6]C[3x6]C[6,6])(C[6]C[5a,6]HH)(C[6,6]C[3x6]O)(H)	H(C[6]C[5a,6]C[3x6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[3x6](N[4x6]C[3x6]C[6,6])(C[6]C[5a,6]HH)(C[6,6]C[3x6]O)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[3x6]H)	110.0128	0.077	6	110.0252	0.005	8	110.0252	0.005	8	110.0252	0.005	8	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	3:4:1:1:	3:4:3:4:	4:	C[6,6a]-3:C[3x6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2C[6])(H)2	C[3x6](C[6,6]C[6,6a]N[6])(C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[3x6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2C[6])(H)2{1|N<2>,3|H<1>,6|C<3>}	C[3x6](C[6,6]C[6,6a]N[6])(C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[3x6]H)	110.0835	0.011	2	110.0835	0.000	2	110.0835	0.000	2	109.2302	1.523	4	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	3:4:1:1:	3:4:3:4:	4:	C[6,6a]-3:C[3x6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[3x6]C[6,6a]C[6,6]2)(H)2	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6,6]C[6]N[6])(C[6]C[6,6a]HH)	H(C[6]C[6,6a]C[3x6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[3x6]C[6,6a]C[6,6]2)(H)2{1|N<2>,1|N<3>,2|H<1>,6|C<3>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6,6]C[6]N[6])(C[6]C[6,6a]HH){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[3x6]H)	108.3770	1.287	2	108.3770	1.656	2	108.3770	1.656	2	109.2302	1.523	4	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	3:4:1:1:	3:4:4:1:	4:	C[5a,6]-3:C[3x6]-4:H-1:H-1:	N[4x6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(H)2	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HH)(H)	H(C[6]C[5a,6]C[3x6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5a,6]C[3x6]H)	109.8900	0.066	2	109.9080	0.002	4	109.9080	0.002	4	109.9080	0.002	4	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	3:4:1:1:	3:4:4:1:	4:	C[5a,6]-3:C[3x6]-4:H-1:H-1:	N[4x6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(H)2	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HH)(H)	H(C[6]C[5a,6]C[3x6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[3x6]H)	109.9260	0.024	2	109.9080	0.002	4	109.9080	0.002	4	109.9080	0.002	4	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	3:4:2:1:	3:4:4:1:	4:	C[5a,6]-3:C[3x6]-4:O-2:H-1:	N[4x6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(OH)(H)	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HO)(H)	H(C[6]C[5a,6]C[3x6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(OH)(H){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HO)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[3x6]O)	108.8650	0.000	1	108.8650	0.000	1	108.8650	0.000	1	108.8650	0.000	1	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:2:1:1:	4:4:3:4:	4:	C[3x6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[3x6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C[6])(O[6]C[6,6])(H)2	C[3x6](C[6,6]C[5,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6]H)(C[6]O[6]HH)	H(C[6]C[3x6]O[6]H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(O[6]C[6,6])(H)2{2|C<3>,3|H<1>,5|C<4>}	C[3x6](C[6,6]C[5,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6]H)(C[6]O[6]HH){1|C<3>,1|N<3>,1|O<1>,3|H<1>,5|C<4>}	H(C[6]C[3x6]O[6]H)	108.9340	0.030	2	108.9340	0.001	2	108.9340	0.001	2	108.9340	0.001	2	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:2:1:1:	4:4:4:1:	4:	C[3x6]-4:O[6]-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(O[6]C[6])(H)2	C[3x6](C[3x6]C[5,6]C[6]N[6])(C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(H)	H(C[6]C[3x6]O[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(O[6]C[6])(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>}	C[3x6](C[3x6]C[5,6]C[6]N[6])(C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(H){2|C<3>,2|C<4>,3|H<1>,3|O<2>}	H(C[6]C[3x6]O[6]H)	109.4665	0.018	2	109.4665	0.000	2	109.4665	0.000	2	109.1129	0.278	9	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:2:1:1:	4:4:4:1:	4:	C[3x6]-4:O[6]-2:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(O[6]C[6])(H)2	C[3x6](C[4x6]C[3x6]C[6,6]Cl)(C[6,6]C[3x6]HH)(C[6]O[6]HH)(H)	H(C[6]C[3x6]O[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(O[6]C[6])(H)2{1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]Cl)(C[6,6]C[3x6]HH)(C[6]O[6]HH)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[3x6]O[6]H)	109.6545	0.507	2	109.6545	0.257	2	109.6545	0.257	2	109.1129	0.278	9	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:2:1:1:	4:4:4:1:	4:	C[3x6]-4:S[6]-2:H-1:H-1:	C[3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[4x6]H)(S[6]C[6])(H)2	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[4x6]C[3x6]O[6,6]O)(C[6]S[6]HH)(H)	H(C[6]C[3x6]S[6]H)	C[6](C[3x6]C[3x6]C[4x6]H)(S[6]C[6])(H)2{2|C<4>,3|H<1>,3|O<2>}	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[4x6]C[3x6]O[6,6]O)(C[6]S[6]HH)(H){2|H<1>,4|C<4>}	H(C[6]C[3x6]S[6]H)	108.4720	0.018	2	108.4720	0.000	2	108.7570	0.244	3	109.1129	0.278	9	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:2:1:1:	4:4:4:1:	4:	C[3x6]-4:S[6]-2:H-1:H-1:	C[3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[4x6]H)(S[6]C[6])(H)2	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[4x6]O[6,6]2C[6])(C[6]S[6]HH)(H)	H(C[6]C[3x6]S[6]H)	C[6](C[3x6]C[3x6]C[4x6]H)(S[6]C[6])(H)2{2|C<4>,3|H<1>,3|O<2>}	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[4x6]O[6,6]2C[6])(C[6]S[6]HH)(H){3|H<1>,4|C<4>}	H(C[6]C[3x6]S[6]H)	109.3270	0.000	1	109.3270	0.000	1	108.7570	0.244	3	109.1129	0.278	9	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:2:1:1:	4:4:4:1:	4:	C[3x6]-4:S[6]-2:H-1:H-1:	C[4x6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[4x6]H)(S[6]C[6])(H)2	C[3x6](C[4x6]C[3x6]O[6,6]O)(C[3x6]O[6,6]2C)(C[6]S[6]HH)(H)	H(C[6]C[3x6]S[6]H)	C[6](C[3x6]C[3x6]C[4x6]H)(S[6]C[6])(H)2{2|C<4>,2|H<1>,4|O<2>}	C[3x6](C[4x6]C[3x6]O[6,6]O)(C[3x6]O[6,6]2C)(C[6]S[6]HH)(H){1|H<1>,3|C<4>}	H(C[6]C[3x6]S[6]H)	108.7515	0.033	2	108.7515	0.001	2	108.7515	0.001	2	109.1129	0.278	9	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:2:1:1:	4:4:4:2:	4:	C[3x6]-4:S[6]-2:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:C[6]-4:S[6]-2:	C[6]-4:	C[6](C[3x6]C[4,6,6]C[6,6]S[6])(S[6]C[5,6])(H)2	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[6]S[6]HH)(S[6]C[5,6])	H(C[6]C[3x6]S[6]H)	C[6](C[3x6]C[4,6,6]C[6,6]S[6])(S[6]C[5,6])(H)2{1|C<3>,1|S<2>,3|C<4>,3|H<1>}	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[6]S[6]HH)(S[6]C[5,6]){1|C<3>,1|S<2>,3|C<4>,4|H<1>}	H(C[6]C[3x6]S[6]H)	112.0913	1.901	4	112.0913	3.614	4	112.0913	3.614	4	112.0913	3.614	4	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:2:1:1:	4:4:4:3:	4:	C[3x6]-4:O[6]-2:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[3x6]C[3x6]2N[6])(O[6]C[6])(H)2	C[3x6](C[3x6]C[6,6]2H)2(C[6]O[6]HH)(N[6]C[6]H)	H(C[6]C[3x6]O[6]H)	C[6](C[3x6]C[3x6]2N[6])(O[6]C[6])(H)2{5|C<4>,5|H<1>}	C[3x6](C[3x6]C[6,6]2H)2(C[6]O[6]HH)(N[6]C[6]H){4|C<4>,9|H<1>}	H(C[6]C[3x6]O[6]H)	109.2125	0.026	2	109.2125	0.001	2	109.2125	0.001	2	109.2125	0.001	2	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:2:1:1:	4:4:4:4:	4:	C[3x6]-4:O[6]-2:H-1:H-1:	C[3,6]-4:C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[3,6]C[3x6]C[6])(O[6]C[6])(H)2	C[3x6](C[3,6]C[3]C[6]O[3])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]O[6]HH)	H(C[6]C[3x6]O[6]H)	C[6](C[3x6]C[3,6]C[3x6]C[6])(O[6]C[6])(H)2{1|O<1>,2|H<1>,2|O<2>,5|C<4>}	C[3x6](C[3,6]C[3]C[6]O[3])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]O[6]HH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[6]C[3x6]O[6]H)	108.0040	0.007	2	108.0040	0.000	2	108.0040	0.000	2	108.8994	0.333	14	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:2:1:1:	4:4:4:4:	4:	C[3x6]-4:O[6]-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C[6])(O[6]C[6])(H)2	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[6]C[3x6]O[6]H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(O[6]C[6])(H)2{1|C<3>,4|C<4>,5|H<1>}	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH){2|C<3>,3|C<4>,7|H<1>}	H(C[6]C[3x6]O[6]H)	109.3680	0.024	8	109.3680	0.001	8	109.1712	0.173	10	108.8994	0.333	14	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:2:1:1:	4:4:4:4:	4:	C[3x6]-4:O[6]-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C[6])(O[6]C[6])(H)2	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[6]C[3x6]O[6]H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(O[6]C[6])(H)2{1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[3x6]O[6]H)	108.3840	0.082	2	108.3840	0.007	2	109.1712	0.173	10	108.8994	0.333	14	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:2:1:1:	4:4:4:4:	4:	C[3x6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6]2C[6])(O[6]C[6])(H)2	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[6]C[3x6]O[6]H)	C[6](C[3x6]C[6,6]2C[6])(O[6]C[6])(H)2{1|O<1>,4|H<1>,5|C<4>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]C[6]HH)(C[6]O[6]HH){1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[3x6]O[6]H)	108.4360	0.018	2	108.4360	0.000	2	108.4360	0.000	2	108.8994	0.333	14	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:2:2:1:	4:3:4:4:	4:	C[3x6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[3x6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C[6])(O[6]C[6])(OH)(H)	C[3x6](C[6,6]C[4x6]CH)(C[3x6]C[6,6]2)(C[6]C[6,6]HO)(C[6]O[6]HO)	H(C[6]C[3x6]O[6]O)	C[6](C[3x6]C[3x6]C[6,6]C[6])(O[6]C[6])(OH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[4x6]CH)(C[3x6]C[6,6]2)(C[6]C[6,6]HO)(C[6]O[6]HO){1|H<1>,3|C<4>,4|C<3>}	H(C[6]C[3x6]O[6]O)	108.6730	0.000	1	108.6730	0.000	1	108.6730	0.000	1	108.6730	0.000	1	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:2:2:1:	4:4:4:1:	4:	C[3x6]-4:O[6]-2:O-2:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(O[6]C[6,6a])(OC)(H)	C[3x6](C[3x6]C[6,6a]O[6]2)(C[6,6]C[6,6a]2H)(C[6]O[6]HO)(H)	H(C[6]C[3x6]O[6]O)	C[6](C[3x6]C[3x6]C[6,6]H)(O[6]C[6,6a])(OC)(H){1|H<1>,2|O<2>,4|C<3>}	C[3x6](C[3x6]C[6,6a]O[6]2)(C[6,6]C[6,6a]2H)(C[6]O[6]HO)(H){6|C<3>}	H(C[6]C[3x6]O[6]O)	110.2930	0.000	1	110.2930	0.000	1	110.2930	0.000	1	110.2930	0.000	1	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:2:2:1:	4:4:4:4:	4:	C[3x6]-4:O[6]-2:O-2:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C[6])(O[6]C[6])(OH)(H)	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HO)	H(C[6]C[3x6]O[6]O)	C[6](C[3x6]C[3x6]C[6,6]C[6])(O[6]C[6])(OH)(H){5|C<4>,6|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HO){1|C<3>,5|C<4>,7|H<1>}	H(C[6]C[3x6]O[6]O)	107.4230	0.000	1	107.4230	0.000	1	107.4230	0.000	1	107.4230	0.000	1	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:2:3:1:	4:4:4:4:	4:	C[3x6]-4:O[6]-2:C-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]2)(O[6]N[5,6])(CCH)(H)	C[3x6](C[3x6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[6]O[6]CH)	H(C[6]C[3x6]O[6]C)	C[6](C[3x6]C[3x6]C[6]2)(O[6]N[5,6])(CCH)(H){1|O<2>,4|C<4>,5|H<1>}	C[3x6](C[3x6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[6]O[6]CH){1|N<3>,2|C<4>,7|H<1>}	H(C[6]C[3x6]O[6]C)	108.4915	0.081	2	108.4915	0.007	2	108.4915	0.007	2	108.1637	0.254	4	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:2:3:1:	4:4:4:4:	4:	C[3x6]-4:O[6]-2:C-3:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]C)(O[6]N[6])(CCH)(H)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]O[6]CH)(CCHH)	H(C[6]C[3x6]O[6]C)	C[6](C[3x6]C[4x6]C[6,6]C)(O[6]N[6])(CCH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]O[6]CH)(CCHH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[6]C[3x6]O[6]C)	107.8360	0.571	2	107.8360	0.326	2	107.8360	0.326	2	108.1637	0.254	4	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:2:4:1:	4:4:4:1:	4:	C[3x6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(O[6]C[6])(CH3)(H)	C[3x6](C[6,6]N[5a,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]O[6]CH)(H)	H(C[6]C[3x6]O[6]C)	C[6](C[3x6]C[3x6]C[6,6]H)(O[6]C[6])(CH3)(H){2|C<4>,2|N<3>,4|H<1>}	C[3x6](C[6,6]N[5a,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]O[6]CH)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[3x6]O[6]C)	107.5990	0.000	1	107.2600	0.230	2	107.2600	0.230	2	107.2600	0.230	2	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:2:4:1:	4:4:4:1:	4:	C[3x6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(O[6]C[6])(CH3)(H)	C[3x6](C[6,6]N[5a,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]O[6]CH)(H)	H(C[6]C[3x6]O[6]C)	C[6](C[3x6]C[3x6]C[6,6]H)(O[6]C[6])(CH3)(H){2|C<4>,2|N<3>,4|H<1>}	C[3x6](C[6,6]N[5a,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]O[6]CH)(H){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[3x6]O[6]C)	106.9210	0.000	1	107.2600	0.230	2	107.2600	0.230	2	107.2600	0.230	2	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:2:4:1:	4:4:4:4:	4:	C[3x6]-4:O[6]-2:C-4:H-1:	C[3x6]-4:C[4,6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[3x6]C[4,6,6]C[3x6]C)(O[6]C[6])(CCHI)(H)	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]O[6]CH)(CH3)	H(C[6]C[3x6]O[6]C)	C[6](C[3x6]C[4,6,6]C[3x6]C)(O[6]C[6])(CCHI)(H){1|O<2>,2|H<1>,5|C<4>}	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]O[6]CH)(CH3){4|C<4>,4|H<1>}	H(C[6]C[3x6]O[6]C)	107.2200	0.000	1	107.2200	0.000	1	107.2200	0.000	1	107.2200	0.000	1	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:1:1:	3:4:3:4:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]O)(H)2	C[3x6](C[6,6]C[6,6a]N[6])(C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]O)(H)2{1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[3x6](C[6,6]C[6,6a]N[6])(C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|H<1>,5|C<3>}	H(C[6]C[3x6]C[6]H)	109.2790	0.018	2	109.2790	0.000	2	109.2790	0.000	2	109.2790	0.000	2	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:1:1:	3:4:4:2:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[3x6]C[6,6]2O[6])(C[6]O[6]O)(H)2	C[3x6](C[6,6]C[6,6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6,6])	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2O[6])(C[6]O[6]O)(H)2{1|C<3>,5|C<4>}	C[3x6](C[6,6]C[6,6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]H)	108.1930	0.030	2	108.1930	0.001	2	108.3657	0.041	4	108.3657	0.041	4	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:1:1:	3:4:4:2:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[3x6]C[6,6]2O[6])(C[6]O[6]O)(H)2	C[3x6](C[6,6]C[6,6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2O[6])(C[6]O[6]O)(H)2{1|C<3>,5|C<4>}	C[3x6](C[6,6]C[6,6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[3x6]C[6]H)	108.5385	0.040	2	108.5385	0.002	2	108.3657	0.041	4	108.3657	0.041	4	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:1:1:	3:4:4:3:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]C)(H)2	C[3x6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]C)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,5|C<4>}	H(C[6]C[3x6]C[6]H)	108.7790	0.007	2	108.7790	0.000	2	108.7078	0.008	4	108.7078	0.008	4	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:1:1:	3:4:4:3:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]H)(H)2	C[3x6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[3x6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[3x6]C[6]H)	108.6365	0.060	2	108.6365	0.004	2	108.7078	0.008	4	108.7078	0.008	4	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:1:1:	3:4:4:4:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]O)(H)2	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[3x6]C[6]H)	108.9458	0.211	15	108.9584	0.044	16	108.8716	0.103	18	108.8716	0.103	18	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:1:1:	3:4:4:4:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]O)(H)2	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2{1|C<4>,1|N<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[3x6]C[6]H)	109.1470	0.000	1	108.9584	0.044	16	108.8716	0.103	18	108.8716	0.103	18	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:1:1:	3:4:4:4:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]O)(H)2	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]O)(C[6]C[6]HH)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]O)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]O)(C[6]C[6]HH)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	H(C[6]C[3x6]C[6]H)	108.1770	0.011	2	108.1770	0.000	2	108.8716	0.103	18	108.8716	0.103	18	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:1:1:	4:2:4:2:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:O[6]-2:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[3x6]C[3x6]O[6]2)(C[6]C[6]O)(H)2	C[3x6](C[3x6]C[6,6]C[6]O)(O[6]C[6,6a])(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]O[6]2)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[3x6](C[3x6]C[6,6]C[6]O)(O[6]C[6,6a])(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[6]C[3x6]C[6]H)	109.3120	0.117	4	109.3120	0.014	4	109.3120	0.014	4	109.3120	0.014	4	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:1:1:	4:3:4:1:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[4x6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]H)(H)2	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	109.0825	0.033	2	109.0825	0.001	2	109.0825	0.001	2	109.0825	0.001	2	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:1:1:	4:3:4:4:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]O)(H)2	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|O<1>,3|C<3>,4|H<1>}	H(C[6]C[3x6]C[6]H)	108.5210	0.030	2	108.5210	0.001	2	108.5210	0.001	2	108.6270	2.134	6	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:1:1:	4:3:4:4:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[4x6]-4:N[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[3x6]C[4x6]N[6,6]C)(C[6]C[6]O)(H)2	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(N[6,6]C[3x6]C)(C[6]C[6]HH)(CH3)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]N[6,6]C)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(N[6,6]C[3x6]C)(C[6]C[6]HH)(CH3){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[3x6]C[6]H)	108.3390	3.082	2	108.3390	9.496	2	108.3390	9.496	2	108.6270	2.134	6	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:1:1:	4:3:4:4:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[5,4x6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[3x6]C[5,4x6]C[6,6]C)(C[6]C[6]H)(H)2	C[3x6](C[5,4x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]O)(C[6]C[6]HH)(CCHH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,4x6]C[6,6]C)(C[6]C[6]H)(H)2{1|O<1>,5|C<4>}	C[3x6](C[5,4x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]O)(C[6]C[6]HH)(CCHH){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[3x6]C[6]H)	109.0210	0.822	2	109.0210	0.675	2	109.0210	0.675	2	108.6270	2.134	6	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6a]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(C[6]C[6,6a]HH)(H)	H(C[6]C[6,6a]C[3x6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(C[6]C[6,6a]HH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[3x6]H)	109.3593	0.062	4	109.3593	0.004	4	109.3593	0.004	4	109.0601	2.757	48	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6a]-3:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6,6a]HH)(H)	H(C[6]C[6,6a]C[3x6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	H(C[6]C[6,6a]C[3x6]H)	108.8710	0.033	3	108.8710	0.001	3	109.3756	0.956	5	109.0601	2.757	48	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6a]-3:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[6,6a]HH)(H)	H(C[6]C[6,6a]C[3x6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[3x6]H)	110.1325	1.382	2	110.1325	1.911	2	109.3756	0.956	5	109.0601	2.757	48	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]O)(H)2	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<4>,1|O<2>,2|C<3>,2|C<4>}	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,6|H<1>}	H(C[6]C[3x6]C[6]H)	109.2905	0.019	2	109.2905	0.000	2	109.2905	0.000	2	109.0601	2.757	48	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[3x6](C[4x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[3x6](C[4x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[3x6]C[6]H)	109.5360	0.136	4	109.4283	0.025	16	108.7395	4.143	29	109.0601	2.757	48	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[3x6](C[4x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[3x6](C[4x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[3x6]C[6]H)	109.3924	0.152	12	109.4283	0.025	16	108.7395	4.143	29	109.0601	2.757	48	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]H)(H)2	C[3x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]H)(H)2{1|Br<1>,2|H<1>,4|C<4>}	C[3x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[3x6]C[6]H)	109.4580	0.096	5	109.4580	0.009	5	108.7395	4.143	29	109.0601	2.757	48	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]H)(H)2	C[3x6](C[4x6]O[6,6]2C[6])(C[6,6]C[5x6]HH)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]H)(H)2{2|C<4>,2|O<2>,3|H<1>}	C[3x6](C[4x6]O[6,6]2C[6])(C[6,6]C[5x6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	101.5030	0.735	2	101.5030	0.541	2	108.7395	4.143	29	109.0601	2.757	48	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]O)(H)2	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<1>,5|H<1>}	H(C[6]C[3x6]C[6]H)	108.7505	0.036	2	108.6805	0.043	4	108.7395	4.143	29	109.0601	2.757	48	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]O)(H)2	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]O)(H)2{4|C<4>,4|H<1>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	H(C[6]C[3x6]C[6]H)	108.6105	0.329	2	108.6805	0.043	4	108.7395	4.143	29	109.0601	2.757	48	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]O[6]O)(H)2	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]O[6]O)(H)2{3|C<4>,3|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[3x6]C[6]H)	108.7875	0.064	2	108.7875	0.004	2	108.7395	4.143	29	109.0601	2.757	48	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5,3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]O)(H)2	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	H(C[6]C[3x6]C[6]H)	109.1465	0.036	2	109.1465	0.001	2	109.1465	0.001	2	109.0601	2.757	48	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:1:1:	4:4:4:1:	4:	C[3x6]-4:N[6]-3:H-1:H-1:	C[4,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[4,3x6]C[6,6]H)(N[6]C[6]S)(H)2	C[3x6](C[4,3x6]C[4,6,6]C[4,6]H)(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H)	H(C[6]C[3x6]N[6]H)	C[6](C[3x6]C[4,3x6]C[6,6]H)(N[6]C[6]S)(H)2{3|C<4>,5|H<1>}	C[3x6](C[4,3x6]C[4,6,6]C[4,6]H)(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H){1|S<4>,3|C<4>,4|H<1>}	H(C[6]C[3x6]N[6]H)	110.0840	0.017	2	110.0840	0.000	2	110.0840	0.000	2	109.0601	2.757	48	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:1:1:	4:4:4:1:	4:	C[3x6]-4:N[6]-3:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(N[6]C[6]S)(H)2	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]N[6]HH)(H)	H(C[6]C[3x6]N[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]N[6]HH)(H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[6]C[3x6]N[6]H)	110.0207	0.047	4	110.0207	0.002	4	110.0207	0.002	4	109.0601	2.757	48	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:1:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[6]C)(H)2	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){2|C<4>,4|C<3>,6|H<1>}	H(C[6]C[3x6]C[6]H)	108.7645	0.064	2	108.7645	0.004	2	108.7645	0.004	2	108.7645	0.004	2	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:1:1:	4:4:4:3:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]O)(H)2	C[3x6](C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HS)(N[6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]O)(H)2{1|S<4>,4|C<4>,5|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HS)(N[6]C[6]H){1|O<1>,3|C<4>,7|H<1>}	H(C[6]C[3x6]C[6]H)	110.1835	1.479	2	110.0069	2.937	8	109.1692	1.885	18	109.1692	1.885	18	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:1:1:	4:4:4:3:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]O)(H)2	C[3x6](C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HS)(N[6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]O)(H)2{1|S<4>,4|C<4>,5|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HS)(N[6]C[6]H){1|O<1>,4|C<4>,6|H<1>}	H(C[6]C[3x6]C[6]H)	109.9480	1.913	6	110.0069	2.937	8	109.1692	1.885	18	109.1692	1.885	18	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:1:1:	4:4:4:3:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]O)(H)2	C[3x6](C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2(N[6]C[6]C)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]O)(H)2{1|C<3>,4|C<4>,5|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2(N[6]C[6]C){2|O<1>,4|C<4>,4|H<1>}	H(C[6]C[3x6]C[6]H)	108.3460	0.008	2	108.3460	0.000	2	109.1692	1.885	18	109.1692	1.885	18	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:1:1:	4:4:4:3:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]O)(H)2	C[3x6](C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2(N[6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2(N[6]C[6]H){2|O<1>,4|C<4>,4|H<1>}	H(C[6]C[3x6]C[6]H)	108.4480	0.006	2	108.4480	0.000	2	109.1692	1.885	18	109.1692	1.885	18	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:1:1:	4:4:4:3:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]O)(H)2	C[3x6](C[3x6]C[6,6]C[6]O)(C[6]C[6]HH)2(N[6]C[6]C)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]O)(H)2{1|O<2>,4|H<1>,5|C<4>}	C[3x6](C[3x6]C[6,6]C[6]O)(C[6]C[6]HH)2(N[6]C[6]C){1|O<1>,4|C<4>,6|H<1>}	H(C[6]C[3x6]C[6]H)	107.9115	0.022	2	107.9115	0.000	2	109.1692	1.885	18	109.1692	1.885	18	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:1:1:	4:4:4:3:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]O)(H)2	C[3x6](C[3x6]C[6]3)(C[6]C[6]HH)2(N[6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]O)(H)2{1|C<3>,4|C<4>,5|H<1>}	C[3x6](C[3x6]C[6]3)(C[6]C[6]HH)2(N[6]C[6]H){2|O<1>,3|C<4>,8|H<1>}	H(C[6]C[3x6]C[6]H)	108.8950	0.068	4	108.8950	0.005	4	109.1692	1.885	18	109.1692	1.885	18	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[3x6]C[3x6]2C)(C[6]C[6,6]H)(H)2	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2O)(C[6]C[6]HH)(CH3)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]2C)(C[6]C[6,6]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2O)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	109.8500	0.042	2	109.8500	0.002	2	109.8500	0.002	2	108.7933	0.557	24	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]H)(H)2	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(C[6]C[6]HH)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]H)(H)2{1|C<3>,3|H<1>,6|C<4>}	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(C[6]C[6]HH)2{1|C<3>,1|C<4>,2|O<2>,7|H<1>}	H(C[6]C[3x6]C[6]H)	108.5137	0.053	3	108.5137	0.003	3	108.5137	0.003	3	108.7933	0.557	24	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]C)(C[6]C[6]O)(H)2	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]C)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[3x6]C[6]H)	110.3685	1.166	2	110.3685	1.360	2	110.3685	1.360	2	108.7933	0.557	24	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[5,3x6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[6]2)(C[6]C[5,6]O)(H)2	C[3x6](C[5,3x6]C[5,5,6,6]N[5,6]H)(C[6]C[6]HH)3	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[6]2)(C[6]C[5,6]O)(H)2{1|N<4>,4|C<4>,6|H<1>}	C[3x6](C[5,3x6]C[5,5,6,6]N[5,6]H)(C[6]C[6]HH)3{1|C<3>,1|O<1>,4|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]H)	108.0175	0.021	2	108.0175	0.000	2	108.0175	0.000	2	108.7933	0.557	24	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]H)(H)2	C[3x6](C[6,6]C[6]2O)2(C[6]C[6]HH)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]H)(H)2{1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[6]2O)2(C[6]C[6]HH)2{10|H<1>,1|C<4>,2|C<3>}	H(C[6]C[3x6]C[6]H)	108.2565	0.032	2	108.2565	0.001	2	108.5057	0.247	9	108.7933	0.557	24	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]O)(H)2	C[3x6](C[6,6]C[6]2H)2(C[6]C[6]HH)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]O)(H)2{1|C<3>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[6]2H)2(C[6]C[6]HH)2{2|O<1>,3|C<4>,8|H<1>}	H(C[6]C[3x6]C[6]H)	109.0110	0.087	4	109.0110	0.008	4	108.5057	0.247	9	108.7933	0.557	24	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6]2C[6])(C[6]O[6]O)(H)2	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2C[6])(C[6]O[6]O)(H)2{4|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)2{1|O<1>,1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[3x6]C[6]H)	107.9980	0.133	3	107.9980	0.018	3	108.5057	0.247	9	108.7933	0.557	24	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:1:1:	4:4:4:4:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]2)(N[6,6]C[6,6]C[6])(H)2	C[3x6](C[3x6]C[6,6]O[6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)2	H(C[6]C[3x6]N[6,6]H)	C[6](C[3x6]C[3x6]C[6]2)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,5|C<4>,8|H<1>}	C[3x6](C[3x6]C[6,6]O[6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)2{4|C<4>,5|H<1>}	H(C[6]C[3x6]N[6,6]H)	108.6753	0.051	4	108.6753	0.003	4	108.6753	0.003	4	108.7933	0.557	24	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:1:1:	4:4:4:4:	4:	C[3x6]-4:N[6]-3:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]2C[6])(N[6]C[6]C)(H)2	C[3x6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]N[6]HH)	H(C[6]C[3x6]N[6]H)	C[6](C[3x6]C[3x6]2C[6])(N[6]C[6]C)(H)2{5|C<4>,6|H<1>}	C[3x6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]N[6]HH){1|C<3>,6|H<1>,7|C<4>}	H(C[6]C[3x6]N[6]H)	108.8870	0.041	2	108.8870	0.002	2	108.8870	0.002	2	108.7933	0.557	24	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:2:1:	3:2:4:4:	4:	C[3x6]-4:C[6]-3:O-2:H-1:	C[6,6,6a]-3:O[6,6]-2:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6,6a]O[6,6]C[6])(C[6]C[6]H)(OH)(H)	C[3x6](C[6,6,6a]C[6,6a]2)(O[6,6]C[5,6,6])(C[6]C[6]HH)(C[6]C[6]HO)	H(C[6]C[3x6]C[6]O)	C[6](C[3x6]C[6,6,6a]O[6,6]C[6])(C[6]C[6]H)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6a]2)(O[6,6]C[5,6,6])(C[6]C[6]HH)(C[6]C[6]HO){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[3x6]C[6]O)	109.1010	0.000	1	109.1010	0.000	1	109.1010	0.000	1	109.1010	0.000	1	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:2:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6a]-3:O-2:H-1:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(OC)(H)	C[3x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]HO)(H)	H(C[6]C[6,6a]C[3x6]O)	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(OC)(H){2|C<3>,3|H<1>,4|C<4>}	C[3x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]HO)(H){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6]C[6,6a]C[3x6]O)	110.4650	0.000	1	110.4650	0.000	1	108.9350	4.682	2	108.4782	1.297	11	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:2:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6a]-3:O-2:H-1:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[3x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]HO)(H)	H(C[6]C[6,6a]C[3x6]O)	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){2|C<3>,3|H<1>,4|C<4>}	C[3x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]HO)(H){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[3x6]O)	107.4050	0.000	1	107.4050	0.000	1	108.9350	4.682	2	108.4782	1.297	11	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:2:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6a]-3:O-2:H-1:	C[5,4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[3x6](C[5,4x6]C[5,6,6]N[5,6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]HO)(H)	H(C[6]C[6,6a]C[3x6]O)	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[3x6](C[5,4x6]C[5,6,6]N[5,6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]HO)(H){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	H(C[6]C[6,6a]C[3x6]O)	106.7290	0.000	1	106.7290	0.000	1	107.9174	1.092	5	108.4782	1.297	11	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:2:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6a]-3:O-2:H-1:	C[5,4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]HO)(H)	H(C[6]C[6,6a]C[3x6]O)	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]HO)(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	H(C[6]C[6,6a]C[3x6]O)	108.2827	1.129	3	108.2145	0.868	4	107.9174	1.092	5	108.4782	1.297	11	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:2:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6a]-3:O-2:H-1:	C[5,4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]HO)(H)	H(C[6]C[6,6a]C[3x6]O)	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]HO)(H){1|C<4>,1|O<2>,6|C<3>}	H(C[6]C[6,6a]C[3x6]O)	108.0100	0.000	1	108.2145	0.868	4	107.9174	1.092	5	108.4782	1.297	11	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:2:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-3:O-2:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6,6]H)(OH)(H)	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HO)(H)	H(C[6]C[3x6]C[6]O)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6,6]H)(OH)(H){1|C<3>,6|C<4>}	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,7|H<1>}	H(C[6]C[3x6]C[6]O)	108.2560	0.000	1	108.2560	0.000	1	108.2560	0.000	1	108.4782	1.297	11	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:2:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[4x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[5,6,6]O)(OC)(H)	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]HO)(H)	H(C[6]C[3x6]C[6]O)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[5,6,6]O)(OC)(H){1|C<3>,7|C<4>}	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]HO)(H){1|O<2>,2|O<1>,3|C<4>,4|H<1>}	H(C[6]C[3x6]C[6]O)	109.6580	0.000	1	109.6580	0.000	1	109.3810	0.153	2	108.4782	1.297	11	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:2:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[4x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[5,6,6]O)(OH)(H)	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]HO)(H)	H(C[6]C[3x6]C[6]O)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[5,6,6]O)(OH)(H){2|C<3>,6|C<4>}	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,2|C<4>,2|O<1>,4|H<1>}	H(C[6]C[3x6]C[6]O)	109.1040	0.000	1	109.1040	0.000	1	109.3810	0.153	2	108.4782	1.297	11	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:2:1:	4:4:4:1:	4:	C[3x6]-4:C[6a]-3:O[6]-2:H-1:	N[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[6,6]N[4x6]H)(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H)	C[3x6](N[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6a]O[6]H)(H)	H(C[6]C[3x6]C[6a]O[6])	C[6](C[3x6]C[6,6]N[4x6]H)(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H){1|O<1>,3|C<3>,3|H<1>,5|C<4>}	C[3x6](N[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6a]O[6]H)(H){2|C<3>,3|C<4>,7|H<1>}	H(C[6]C[3x6]C[6a]O[6])	108.7850	0.000	1	108.7850	0.000	1	108.7850	0.000	1	108.4782	1.297	11	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:2:1:	4:4:4:3:	4:	C[3x6]-4:C[6]-3:O-2:H-1:	C[3x6]-4:C[5,6]-4:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[3x6]C[3x6]C[5,6]N[6])(C[6]O[6]O)(OC)(H)	C[3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(N[6]C[6]H)	H(C[6]C[3x6]C[6]O)	C[6](C[3x6]C[3x6]C[5,6]N[6])(C[6]O[6]O)(OC)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(N[6]C[6]H){2|C<4>,2|O<1>,3|O<2>,4|H<1>}	H(C[6]C[3x6]C[6]O)	109.2520	0.000	1	109.2520	0.000	1	109.2520	0.000	1	109.2520	0.000	1	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6a]-3:N[6]-3:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[3x6](C[4x6]C[3x6]O[6,6]H)(C[6,6]N[3x6]C[6a]H)(C[6]C[6a]N[6]H)(H)	H(C[6]C[3x6]C[6a]N[6])	C[6](C[3x6]C[4x6]C[6,6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[3x6](C[4x6]C[3x6]O[6,6]H)(C[6,6]N[3x6]C[6a]H)(C[6]C[6a]N[6]H)(H){2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[3x6]C[6a]N[6])	108.3320	0.376	2	108.3320	0.142	2	108.3320	0.142	2	108.3320	0.142	2	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6a]-3:C-4:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H)	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6,6a]CH)(H)	H(C[6]C[6,6a]C[3x6]C)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6,6a]CH)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	H(C[6]C[6,6a]C[3x6]C)	107.8190	0.000	1	107.8190	0.000	1	107.8190	0.000	1	107.8190	0.000	1	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:3:4:1:	4:4:4:2:	4:	C[3x6]-4:N[6]-3:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[3x6]C[6,6]2O[6])(N[6]C[6]C)(CCHH)(H)	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]N[6]CH)(O[6]O[6])	H(C[6]C[3x6]N[6]C)	C[6](C[3x6]C[6,6]2O[6])(N[6]C[6]C)(CCHH)(H){2|C<4>,3|O<2>,4|H<1>}	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]N[6]CH)(O[6]O[6]){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[3x6]N[6]C)	108.1115	0.381	2	108.1115	0.145	2	108.1115	0.145	2	108.1115	0.145	2	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	3:2:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6,6a]-3:O[6,6]-2:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6,6a]O[6,6]C[6])(C[6]C[6]HH)(H)2	C[3x6](C[6,6,6a]C[6,6a]2)(O[6,6]C[5,6,6])(C[6]C[6]HH)(C[6]C[6]HO)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6,6a]O[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6a]2)(O[6,6]C[5,6,6])(C[6]C[6]HH)(C[6]C[6]HO){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[3x6]C[6]H)	109.4230	0.000	1	109.4230	0.000	1	109.4230	0.000	1	109.4230	0.000	1	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	3:3:4:3:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[3x6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	H(C[6]C[3x6]C[6]H)	109.5870	0.000	1	109.5870	0.000	1	109.5870	0.000	1	109.5870	0.000	1	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	3:3:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]CH)(H)2	C[3x6](C[6,6]C[6]O[6])(C[6,6]C[6,6]O)(C[6]C[6]HH)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[6,6]C[6]O[6])(C[6,6]C[6,6]O)(C[6]C[6]HH)2{2|C<3>,2|H<1>,5|C<4>}	H(C[6]C[3x6]C[6]H)	108.8147	0.409	9	108.8147	0.167	9	108.8147	0.167	9	108.8975	0.128	13	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	3:3:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:N[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]N[6,6]2C[6])(C[6]C[6]HH)(H)2	C[3x6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(C[6]C[6]HH)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]N[6,6]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,3|C<4>,4|H<1>}	C[3x6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(C[6]C[6]HH)2{1|N<3>,2|C<4>,3|O<1>,8|H<1>}	H(C[6]C[3x6]C[6]H)	109.0840	0.029	4	109.0840	0.001	4	109.0840	0.001	4	108.8975	0.128	13	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	3:4:2:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:O[6,6]-2:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6a]C[6,6]O[6,6])(C[6]C[6,6a]CH)(H)2	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]O)(O[6,6]C[6,6])(C[6]C[6]HH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[6,6]O[6,6])(C[6]C[6,6a]CH)(H)2{1|C<4>,1|O<2>,5|C<3>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]O)(O[6,6]C[6,6])(C[6]C[6]HH){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	H(C[6]C[3x6]C[6]H)	109.0615	0.006	2	109.0615	0.000	2	109.0615	0.000	2	109.0615	0.000	2	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	3:4:3:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6a]C[6,6]2)(C[6]N[6]HH)(H)2	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[6,6]2)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>,4|C<3>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,2|O<2>,3|C<3>,5|H<1>}	H(C[6]C[3x6]C[6]H)	108.2760	0.016	2	108.2760	0.000	2	108.2760	0.000	2	108.2760	0.000	2	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-3:C[3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[3x6]C[6]H)	109.8640	0.000	1	109.8640	0.000	1	109.8640	0.000	1	109.8640	0.000	1	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	3:4:4:2:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6,6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[3x6]C[6,6]N[6,6]O[6])(C[6]C[6]HH)(H)2	C[3x6](N[6,6]C[6,6a]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]N[6,6]O[6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[3x6](N[6,6]C[6,6a]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6]){2|C<4>,4|C<3>,7|H<1>}	H(C[6]C[3x6]C[6]H)	109.5260	0.186	4	109.5260	0.034	4	109.5260	0.034	4	109.5260	0.034	4	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	3:4:4:3:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]O[6]HO)(H)2	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]O[6]HO)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,2|O<2>,4|C<3>,4|H<1>}	H(C[6]C[3x6]C[6]H)	109.8735	2.511	2	109.4452	3.421	6	109.4452	3.421	6	109.4046	2.862	7	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	3:4:4:3:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]O[6]HO)(H)2	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]O[6]HO)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|O<2>,3|C<3>,5|H<1>}	H(C[6]C[3x6]C[6]H)	109.3570	3.188	2	109.4452	3.421	6	109.4452	3.421	6	109.4046	2.862	7	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	3:4:4:3:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]O[6]HO)(H)2	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]O[6]HO)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|O<2>,4|H<1>}	H(C[6]C[3x6]C[6]H)	109.2190	0.000	1	109.4452	3.421	6	109.4452	3.421	6	109.4046	2.862	7	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	3:4:4:3:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]O[6]HO)(H)2	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]O[6]HO)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<4>,3|C<3>,3|O<2>,4|H<1>}	H(C[6]C[3x6]C[6]H)	108.9910	0.000	1	109.4452	3.421	6	109.4452	3.421	6	109.4046	2.862	7	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	3:4:4:3:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[3x6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2{3|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<4>,2|O<2>,3|C<3>,5|H<1>}	H(C[6]C[3x6]C[6]H)	109.1610	0.000	1	109.1610	0.000	1	109.1610	0.000	1	109.4046	2.862	7	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[5,6]C[6]O[5]2)(H)2	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]O)(C[6]C[5,6]HH)(C[6]C[6]HH)	H(C[6]C[3x6]C[5,6]H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[5,6]C[6]O[5]2)(H)2{1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]O)(C[6]C[5,6]HH)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,3|O<2>,5|H<1>}	H(C[6]C[3x6]C[5,6]H)	108.8860	0.016	2	108.8860	0.000	2	108.8860	0.000	2	109.1704	0.063	41	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6,6]HH)(C[6]C[6]HH)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6,6]HH)(C[6]C[6]HH)2{1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[3x6]C[6]H)	108.6890	0.000	1	109.1103	0.133	3	109.1103	0.133	3	109.1704	0.063	41	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6,6]HH)(C[6]C[6]HH)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6,6]HH)(C[6]C[6]HH)2{1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[3x6]C[6]H)	109.3210	0.011	2	109.1103	0.133	3	109.1103	0.133	3	109.1704	0.063	41	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,8|H<1>}	H(C[6]C[3x6]C[6]H)	109.0025	0.009	2	109.1528	0.014	6	109.2155	0.051	34	109.1704	0.063	41	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2{1|N<4>,2|C<3>,2|C<4>,8|H<1>}	H(C[6]C[3x6]C[6]H)	109.2280	0.030	4	109.1528	0.014	6	109.2155	0.051	34	109.1704	0.063	41	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]HO)(H)2	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|O<2>,3|C<3>,5|H<1>}	H(C[6]C[3x6]C[6]H)	108.5630	0.007	2	108.5630	0.000	2	109.2155	0.051	34	109.1704	0.063	41	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2{1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2{1|C<4>,1|N<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[3x6]C[6]H)	109.3630	0.000	1	109.2889	0.024	22	109.2155	0.051	34	109.1704	0.063	41	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,8|H<1>}	H(C[6]C[3x6]C[6]H)	109.0830	0.006	2	109.2889	0.024	22	109.2155	0.051	34	109.1704	0.063	41	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2{2|C<3>,4|C<4>,4|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2{1|N<4>,2|C<3>,2|C<4>,8|H<1>}	H(C[6]C[3x6]C[6]H)	109.1788	0.034	4	109.2889	0.024	22	109.2155	0.051	34	109.1704	0.063	41	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[3x6]C[6]H)	109.3194	0.150	13	109.2889	0.024	22	109.2155	0.051	34	109.1704	0.063	41	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2{3|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|O<2>,3|C<3>,5|H<1>}	H(C[6]C[3x6]C[6]H)	109.4795	0.019	2	109.2889	0.024	22	109.2155	0.051	34	109.1704	0.063	41	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]O)(C[6]C[5,6]HH)(C[6]C[6]HH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]O)(C[6]C[5,6]HH)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,3|O<2>,5|H<1>}	H(C[6]C[3x6]C[6]H)	109.4140	0.034	2	109.4140	0.001	2	109.2155	0.051	34	109.1704	0.063	41	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]O)(C[6]C[6]HH)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]O)(C[6]C[6]HH)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	H(C[6]C[3x6]C[6]H)	109.0500	0.042	2	109.0500	0.002	2	109.2155	0.051	34	109.1704	0.063	41	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[3x6]-4:C[6]-4:N[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6a]C[3x6]N[6])(C[6]C[6]CH)(H)2	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]O)(C[6]C[6]HH)(N[6]C[6]HH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[3x6]N[6])(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]O)(C[6]C[6]HH)(N[6]C[6]HH){1|C<3>,1|N<2>,4|C<4>,7|H<1>}	H(C[6]C[3x6]C[6]H)	108.7790	0.010	2	108.7790	0.000	2	108.7790	0.000	2	109.1704	0.063	41	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:2:3:4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6]-4:O[6,6]-2:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6]O[6,6]C[6])(C[3x6]C[4x6]C[6,6]H)(H)2	C[3x6](C[6]C[3x6]HH)(O[6,6]C[6,6])(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[3x6]2H)	C[6](C[3x6]C[6,6]O[6,6]C[6])(C[3x6]C[4x6]C[6,6]H)(H)2{3|C<3>,4|C<4>,4|H<1>}	C[3x6](C[6]C[3x6]HH)(O[6,6]C[6,6])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|C<4>,2|O<2>,5|H<1>}	H(C[6]C[3x6]2H)	109.4045	0.006	2	109.4045	0.000	2	109.4045	0.000	2	109.6250	0.065	4	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:2:3:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6,6]-2:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6]O[6,6]C[6])(C[6]O[6]HH)(H)2	C[3x6](C[6]C[3x6]HH)(O[6,6]C[6,6])(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]O[6,6]C[6])(C[6]O[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[6]C[3x6]HH)(O[6,6]C[6,6])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|C<4>,2|O<2>,5|H<1>}	H(C[6]C[3x6]C[6]H)	109.8455	0.008	2	109.8455	0.000	2	109.8455	0.000	2	109.6250	0.065	4	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:2:4:2:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:O[6]-2:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[3x6]C[3x6]O[6]2)(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(O[6]C[6,6])	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]O[6]2)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(O[6]C[6,6]){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[3x6]C[6]H)	109.5237	0.070	3	109.5237	0.005	3	109.5237	0.005	3	109.3597	0.027	18	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:2:4:2:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:O[6,6]-2:C[6]-4:O-2:	C[6]-4:	C[6](C[3x6]C[4x6]O[6,6]O)(C[6]C[6]CH)(H)2	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(O[6,6]C[4x6])(C[6]C[6]HH)(OC)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]O[6,6]O)(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(O[6,6]C[4x6])(C[6]C[6]HH)(OC){1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]H)	109.2280	0.027	2	109.2280	0.001	2	109.3524	0.024	13	109.3597	0.027	18	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:2:4:2:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:O[6,6]-2:C[6]-4:O-2:	C[6]-4:	C[6](C[3x6]C[4x6]O[6,6]O)(C[6]C[6]CH)(H)2	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(O[6,6]C[4x6])(C[6]C[6]HH)(OH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]O[6,6]O)(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(O[6,6]C[4x6])(C[6]C[6]HH)(OH){1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]H)	109.3750	0.159	11	109.3750	0.025	11	109.3524	0.024	13	109.3597	0.027	18	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:2:4:2:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O[6,6]-2:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[3x6]C[6,6]O[6,6]O[6])(C[6]C[6]HH)(H)2	C[3x6](C[6,6]C[6]2H)(O[6,6]C[3x6])(C[6]C[6]HH)(O[6]O[6])	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]O[6,6]O[6])(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[6]2H)(O[6,6]C[3x6])(C[6]C[6]HH)(O[6]O[6]){4|C<4>,6|H<1>}	H(C[6]C[3x6]C[6]H)	109.1610	0.008	2	109.1610	0.000	2	109.1610	0.000	2	109.3597	0.027	18	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:2:4:3:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:O[6]-2:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[3x6]C[3x6]N[6]O[6])(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(N[6]C[6]C)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]N[6]O[6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]H)	109.2300	0.021	2	109.2300	0.000	2	109.2300	0.000	2	109.2300	0.000	2	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:2:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O[6,6]-2:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6]O[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[3x6](C[6,6]C[6]O[6]O)(O[6,6]C[3x6])(C[6]C[6]HH)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]O[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|O<2>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[6]O[6]O)(O[6,6]C[3x6])(C[6]C[6]HH)2{1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[3x6]C[6]H)	108.7110	0.021	2	108.7110	0.000	2	108.6882	0.003	4	108.6882	0.003	4	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:2:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O[6,6]-2:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6]O[6,6]C[6])(C[6]C[6]HH)(H)2	C[3x6](C[6,6]C[6]O[6]O)(O[6,6]C[3x6])(C[6]C[6]HH)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]O[6,6]C[6])(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,4|H<1>}	C[3x6](C[6,6]C[6]O[6]O)(O[6,6]C[3x6])(C[6]C[6]HH)2{1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[3x6]C[6]H)	108.6655	0.088	2	108.6655	0.008	2	108.6882	0.003	4	108.6882	0.003	4	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:3:2:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:O[6]-2:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(H)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[3x6]C[6]H)	108.6700	0.007	2	108.6700	0.000	2	108.6700	0.000	2	108.6700	0.000	2	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:3:3:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[5a,6]-3:C[6,6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6,6a]C[5a,6]C[3x6])(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[6,6,6a]C[5a,6]C[6])(C[5a,6]C[5a,6]C[5a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6,6a]C[5a,6]C[3x6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,6|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[5a,6]C[6])(C[5a,6]C[5a,6]C[5a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH){1|S<2>,2|C<4>,5|H<1>,7|C<3>}	H(C[6]C[3x6]C[6]H)	109.2800	0.000	1	109.2800	0.000	1	109.2800	0.000	1	109.3062	0.005	17	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:3:3:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6a]-3:C[6,6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6,6a]C[6,6a]C[3x6])(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[6,6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6,6a]C[6,6a]C[3x6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,6|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH){2|C<4>,5|H<1>,8|C<3>}	H(C[6]C[3x6]C[6]H)	109.3078	0.071	16	109.3078	0.005	16	109.3078	0.005	16	109.3062	0.005	17	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:3:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:N[3x6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]N[3x6]H)(C[6]C[6]HH)(H)2	C[3x6](C[4x6]C[5,3x6]C[6,6]H)(N[3x6]C[3x6]C[6,6])(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]N[3x6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[3x6](C[4x6]C[5,3x6]C[6,6]H)(N[3x6]C[3x6]C[6,6])(C[6]C[6]HH)(H){1|O<2>,4|C<4>,7|H<1>}	H(C[6]C[3x6]C[6]H)	108.5330	0.006	2	108.5330	0.000	2	108.5330	0.000	2	108.5330	0.000	2	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:3:4:2:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[3x6]C[4,6,6]C[6,6]O[6])(C[6]C[3x6]HH)(H)2	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[3x6])	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4,6,6]C[6,6]O[6])(C[6]C[3x6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[3x6]){1|C<3>,4|C<4>,6|H<1>}	H(C[6]C[3x6]C[6]H)	109.3310	0.000	1	109.3310	0.000	1	109.3310	0.000	1	109.3010	0.001	3	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:3:4:2:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(H)2	C[3x6](C[6,6]N[5a,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6]N[5a,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,3|C<3>,9|H<1>}	H(C[6]C[3x6]C[6]H)	109.2860	0.006	2	109.2860	0.000	2	109.2860	0.000	2	109.3010	0.001	3	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:3:4:3:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]N[6])(C[6]C[6]CH)(H)2	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(N[6]C[6]C)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]N[6])(C[6]C[6]CH)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(N[6]C[6]C){1|N<3>,5|C<4>,8|H<1>}	H(C[6]C[3x6]C[6]H)	108.7260	0.484	4	108.7260	0.234	4	108.8212	0.162	6	108.8212	0.162	6	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:3:4:3:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]N[6])(C[6]C[6]CH)(H)2	C[3x6](C[3x6]C[6,6]C[6]O)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(N[6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]N[6])(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[3x6](C[3x6]C[6,6]C[6]O)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(N[6]C[6]H){1|N<3>,5|C<4>,8|H<1>}	H(C[6]C[3x6]C[6]H)	109.0115	0.008	2	109.0115	0.000	2	108.8212	0.162	6	108.8212	0.162	6	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:3:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]N[6]HH)(H)2	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|O<1>,3|C<3>,4|H<1>}	H(C[6]C[3x6]C[6]H)	109.2775	0.049	2	109.2775	0.002	2	109.2775	0.002	2	109.2775	0.002	2	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:O[6,6]-2:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]O[6,6]H)(C[6,6]C[6,6]O[6,6]H)(H)2	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6]C[6,6]HH)(O[6,6]C[3x6])(H)	H(C[6]C[3x6]C[6,6]H)	C[6](C[3x6]C[4x6]O[6,6]H)(C[6,6]C[6,6]O[6,6]H)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6]C[6,6]HH)(O[6,6]C[3x6])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[3x6]C[6,6]H)	109.0680	0.017	2	109.0680	0.000	2	109.0680	0.000	2	109.0680	0.000	2	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:O[6,6]-2:O-2:	C[6]-4:	C[6](C[6,6]C[6,6a]O[6,6]H)(C[3x6]C[4x6]O[6,6]O)(H)2	C[3x6](C[4x6]C[6,6,6a]C[4x6]O)(C[6]C[6,6]HH)(O[6,6]C[3x6])(OH)	H(C[6]C[3x6]C[6,6]H)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[3x6]C[4x6]O[6,6]O)(H)2{1|O<2>,2|C<4>,3|C<3>}	C[3x6](C[4x6]C[6,6,6a]C[4x6]O)(C[6]C[6,6]HH)(O[6,6]C[3x6])(OH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[3x6]C[6,6]H)	108.8560	0.115	3	108.8560	0.013	3	108.8560	0.013	3	108.8560	0.013	3	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:3:2:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:O[6]-2:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(O[6]C[6])	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[3x6](C[3x6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(O[6]C[6]){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[3x6]C[6]H)	108.2310	0.011	2	108.2310	0.000	2	108.2310	0.000	2	108.4453	0.061	4	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:3:2:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:N[6]-3:O[6]-2:	C[6]-4:	C[6](C[3x6]C[3x6]N[6]O[6])(C[6]C[6]CH)(H)2	C[3x6](C[3x6]C[6,6]C[6]C)(C[6]C[6]HH)(N[6]C[6]C)(O[6]C[6])	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]N[6]O[6])(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[3x6](C[3x6]C[6,6]C[6]C)(C[6]C[6]HH)(N[6]C[6]C)(O[6]C[6]){1|O<1>,4|C<4>,6|H<1>}	H(C[6]C[3x6]C[6]H)	108.6595	0.026	2	108.6595	0.001	2	108.6595	0.001	2	108.4453	0.061	4	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:3:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6,6a]HH)(H)2	C[3x6](C[3x6]C[6,6]2H)2(C[6]C[6,6a]O)(C[6]C[6]HH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6,6a]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[3x6](C[3x6]C[6,6]2H)2(C[6]C[6,6a]O)(C[6]C[6]HH){10|H<1>,2|C<3>,2|C<4>}	H(C[6]C[3x6]C[6]H)	111.1865	3.167	2	111.1865	10.031	2	111.1865	10.031	2	110.0835	4.966	4	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:3:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6,6a]HH)(H)2	C[3x6](C[6,6]C[6]2H)2(C[6]C[6,6a]O)(C[6]C[6]HH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6,6a]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[3x6](C[6,6]C[6]2H)2(C[6]C[6,6a]O)(C[6]C[6]HH){10|H<1>,2|C<3>,2|C<4>}	H(C[6]C[3x6]C[6]H)	108.9805	0.005	2	108.9805	0.000	2	108.9805	0.000	2	110.0835	4.966	4	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[6,6]O[6,6]C[6])(C[3x6]C[4x6]C[6,6]H)(H)2	C[3x6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(C[6]C[3x6]HH)(H)	H(C[6]C[3x6]2H)	C[6](C[3x6]C[6,6]O[6,6]C[6])(C[3x6]C[4x6]C[6,6]H)(H)2{3|C<3>,4|C<4>,4|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(C[6]C[3x6]HH)(H){2|C<3>,3|C<4>,3|H<1>,3|O<2>}	H(C[6]C[3x6]2H)	109.3700	0.000	1	109.3700	0.000	1	109.3700	0.000	1	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]HH)(H){3|H<1>,6|C<3>}	H(C[6]C[3x6]C[6]H)	108.6485	2.722	2	109.0085	2.999	4	109.7176	2.150	10	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]HH)(H){1|C<4>,4|H<1>,5|C<3>}	H(C[6]C[3x6]C[6]H)	109.3685	1.034	2	109.0085	2.999	4	109.7176	2.150	10	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]2Cl)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2{1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]2Cl)(C[6]C[6]HH)(H){2|Cl<1>,1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[3x6]C[6]H)	110.2398	0.223	4	110.2398	0.050	4	109.7176	2.150	10	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[6,6,6a]2C[6a])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[3x6]C[6,6,6a]2C[6a])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(H){1|C<4>,5|H<1>,6|C<3>}	H(C[6]C[3x6]C[6]H)	110.0915	2.613	2	110.0915	6.827	2	109.7176	2.150	10	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	C[3x6](C[3x6]N[5,6,6]C[4x6]H)(C[4x6]C[5,3x6]C[4x6]O)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,5|C<4>}	C[3x6](C[3x6]N[5,6,6]C[4x6]H)(C[4x6]C[5,3x6]C[4x6]O)(C[6]C[6]HH)(H){5|H<1>,6|C<4>}	H(C[6]C[3x6]C[6]H)	109.0430	2.285	2	109.0430	5.223	2	109.1505	1.756	4	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6]CC)(H)2	C[3x6](C[3x6]C[4x6]C[6]C)(C[4x6]C[6,6]2C[6])(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[3x6](C[3x6]C[4x6]C[6]C)(C[4x6]C[6,6]2C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|O<1>,4|H<1>,5|C<4>}	H(C[6]C[3x6]C[6]H)	109.2580	0.008	2	109.2580	0.000	2	109.1505	1.756	4	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[4x6]HH)(H)2	C[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[4x6]HH)(H)2{2|C<3>,6|C<4>}	C[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){10|H<1>,1|N<2>,3|C<4>}	H(C[6]C[3x6]C[6]H)	109.1850	0.000	1	109.2140	0.001	3	109.1828	0.638	36	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[4x6]HH)(H)2	C[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[4x6]HH)(H)2{8|C<4>}	C[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){11|H<1>,1|N<3>,3|C<4>}	H(C[6]C[3x6]C[6]H)	109.2285	0.029	2	109.2140	0.001	3	109.1828	0.638	36	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){10|H<1>,2|O<2>,3|C<4>}	H(C[6]C[3x6]C[6]H)	109.8360	0.000	1	109.8360	0.000	1	109.1828	0.638	36	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[3,6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[3x6](C[3x6]C[3,6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,3|O<2>,4|C<4>,6|H<1>}	H(C[6]C[3x6]C[6]H)	109.6620	0.000	1	109.6620	0.000	1	109.1828	0.638	36	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<2>,2|H<1>,3|C<3>}	C[3x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]2C)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	108.8250	0.034	4	108.8250	0.001	4	109.1828	0.638	36	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<2>,2|H<1>,3|C<3>}	C[3x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	108.7460	0.024	2	108.7460	0.001	2	109.1828	0.638	36	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|O<2>,4|C<4>,6|H<1>}	H(C[6]C[3x6]C[6]H)	108.7460	0.025	2	108.7460	0.001	2	109.1828	0.638	36	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[6,6]C[6]N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[6,6]C[6]N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,8|H<1>}	H(C[6]C[3x6]C[6]H)	109.3753	0.176	3	109.3753	0.031	3	109.1828	0.638	36	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,8|H<1>}	H(C[6]C[3x6]C[6]H)	109.3670	0.011	2	109.4430	0.004	6	109.1828	0.638	36	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,9|H<1>}	H(C[6]C[3x6]C[6]H)	109.4810	0.040	4	109.4430	0.004	6	109.1828	0.638	36	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<4>}	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){10|H<1>,2|C<3>,2|C<4>}	H(C[6]C[3x6]C[6]H)	110.1715	0.029	2	109.1212	1.779	12	109.1828	0.638	36	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<4>}	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){11|H<1>,1|C<4>,2|C<3>}	H(C[6]C[3x6]C[6]H)	109.3810	0.048	2	109.1212	1.779	12	109.1828	0.638	36	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){10|H<1>,1|C<3>,1|S<4>,2|C<4>}	H(C[6]C[3x6]C[6]H)	108.7938	1.529	8	109.1212	1.779	12	109.1828	0.638	36	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[6]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[6]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(H){1|P<4>,2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[3x6]C[6]H)	109.4585	0.015	2	109.4585	0.000	2	109.1828	0.638	36	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[4,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[4,3x6]C[3x6]H)(C[6]C[5,6]HH)(H)2	C[3x6](C[4,3x6]C[4,6,6]C[4,6]C[6])(C[3x6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4,3x6]C[3x6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[3x6](C[4,3x6]C[4,6,6]C[4,6]C[6])(C[3x6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,9|H<1>}	H(C[6]C[3x6]C[6]H)	109.3572	0.036	4	109.3572	0.001	4	109.3572	0.001	4	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[4,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[4,3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[3x6](C[4,3x6]C[4,5,6]C[4,6,6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4,3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[3x6](C[4,3x6]C[4,5,6]C[4,6,6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	108.4910	0.373	2	108.4910	0.139	2	108.9863	0.177	6	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[4,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[4,3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[3x6](C[4,3x6]C[4,6,6]C[4,6]C)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4,3x6]C[6,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[3x6](C[4,3x6]C[4,6,6]C[4,6]C)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]H)	109.1935	0.067	2	109.2340	0.004	4	108.9863	0.177	6	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[4,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[4,3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[3x6](C[4,3x6]C[4,6,6]C[4,6]C)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4,3x6]C[6,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[3x6](C[4,3x6]C[4,6,6]C[4,6]C)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]H)	109.2745	0.013	2	109.2340	0.004	4	108.9863	0.177	6	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	C[3x6](C[4x6]C[5,6]C[6,6]O[6,6])(C[3x6]C[4x6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[3x6](C[4x6]C[5,6]C[6,6]O[6,6])(C[3x6]C[4x6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[3x6]C[6]H)	108.8205	0.008	2	108.8205	0.000	2	109.2454	0.299	5	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6]HH)(H)2	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(H){4|C<4>,4|O<2>,7|H<1>}	H(C[6]C[3x6]C[6]H)	110.1360	0.000	1	110.1360	0.000	1	109.2454	0.299	5	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6a]C[6]H)(H)2	C[3x6](C[4x6]N[5a,6,6]C[6,6]C[6])(C[3x6]C[4x6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6a]C[6]H)(H)2{1|N<3>,2|H<1>,3|C<4>,4|C<3>}	C[3x6](C[4x6]N[5a,6,6]C[6,6]C[6])(C[3x6]C[4x6]C[6]C)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	H(C[6]C[3x6]C[6]H)	109.2250	0.206	2	109.2250	0.043	2	109.2454	0.299	5	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[5,3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	C[3x6](C[4x6]C[3,6,6]C[3x6]C[6,6])(C[5,3x6]C[3x6]C[5,6]C[5])(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[3x6](C[4x6]C[3,6,6]C[3x6]C[6,6])(C[5,3x6]C[3x6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|O<2>,6|H<1>}	H(C[6]C[3x6]C[6]H)	109.5595	1.795	2	109.5595	3.223	2	109.5595	3.223	2	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[3x6](C[4x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[3x6](C[4x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]H)	109.1443	0.098	3	109.1443	0.010	3	109.3887	0.192	38	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	C[3x6](C[4x6]C[6,6a]N[6,6]2)(C[6,6]C[3x6]C[6a]H)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,2|N<3>,3|C<3>}	C[3x6](C[4x6]C[6,6a]N[6,6]2)(C[6,6]C[3x6]C[6a]H)(C[6]C[6]HH)(H){5|H<1>,6|C<3>}	H(C[6]C[3x6]C[6]H)	109.7320	0.051	4	109.7320	0.003	4	109.3887	0.192	38	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[3x6](C[4x6]C[3x6]O[6,6]O)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[3x6](C[4x6]C[3x6]O[6,6]O)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[3x6]C[6]H)	109.1555	0.006	2	109.1555	0.000	2	109.3887	0.192	38	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|O<1>,1|S<3>,3|C<4>,6|H<1>}	H(C[6]C[3x6]C[6]H)	109.3385	0.018	2	109.2542	0.009	5	109.3887	0.192	38	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	H(C[6]C[3x6]C[6]H)	109.1565	0.040	2	109.2542	0.009	5	109.3887	0.192	38	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,8|H<1>}	H(C[6]C[3x6]C[6]H)	109.2810	0.000	1	109.2542	0.009	5	109.3887	0.192	38	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[3x6]C[6]H)	109.4550	0.045	3	109.4550	0.002	3	109.3887	0.192	38	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<4>}	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,9|H<1>}	H(C[6]C[3x6]C[6]H)	110.1803	0.063	4	110.1803	0.004	4	109.3887	0.192	38	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]CC)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]CC)(C[6]C[6]HH)(H){1|Br<1>,1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[3x6]C[6]H)	109.5320	0.013	2	109.6217	0.011	4	109.3887	0.192	38	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]CC)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<3>,4|C<4>}	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]CC)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[3x6]C[6]H)	109.7115	0.025	2	109.6217	0.011	4	109.3887	0.192	38	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HO)(H)2	C[3x6](C[4x6]C[5,6,6]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[3x6](C[4x6]C[5,6,6]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	H(C[6]C[3x6]C[6]H)	109.0797	0.612	7	109.0797	0.374	7	109.3887	0.192	38	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HO)(H)2	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]H)	109.0905	0.053	2	109.0905	0.003	2	109.3887	0.192	38	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]N[6]HH)(H)2	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,8|H<1>}	H(C[6]C[3x6]C[6]H)	109.0480	0.037	2	109.0480	0.001	2	109.3887	0.192	38	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]O[6]CO)(H)2	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]O[6]CO)(H)2{2|H<1>,4|C<4>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	H(C[6]C[3x6]C[6]H)	109.2090	0.018	2	109.2090	0.000	2	109.3887	0.192	38	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[5,6]HH)(H)2	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[5,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){1|Br<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[3x6]C[6]H)	109.2960	0.007	2	109.2960	0.000	2	109.7789	0.332	10	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[6]HH)(H)2	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){1|C<3>,2|O<1>,3|C<4>,7|H<1>}	H(C[6]C[3x6]C[6]H)	109.7305	0.026	2	109.7305	0.001	2	109.7789	0.332	10	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[6]HH)(H)2	C[3x6](C[5,3x6]C[5,3x6]C[6]N[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[6]N[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[3x6]C[6]H)	109.0795	0.019	2	109.0795	0.000	2	109.7789	0.332	10	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[6]HH)(H)2	C[3x6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(H){2|Cl<1>,1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	H(C[6]C[3x6]C[6]H)	110.3942	0.094	4	110.3942	0.009	4	109.7789	0.332	10	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|O<2>,9|H<1>}	H(C[6]C[3x6]C[6]H)	108.8720	0.008	2	108.6996	0.404	16	109.0109	0.466	24	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,5|O<2>,8|H<1>}	H(C[6]C[3x6]C[6]H)	108.4615	0.018	2	108.6996	0.404	16	109.0109	0.466	24	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|O<2>,9|H<1>}	H(C[6]C[3x6]C[6]H)	109.3860	0.031	2	108.6996	0.404	16	109.0109	0.466	24	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,4|O<2>,7|H<1>}	H(C[6]C[3x6]C[6]H)	109.0023	0.128	4	108.6996	0.404	16	109.0109	0.466	24	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|O<2>,7|H<1>}	H(C[6]C[3x6]C[6]H)	107.9775	0.951	2	108.6996	0.404	16	109.0109	0.466	24	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,2|O<1>,3|O<2>,4|C<4>,6|H<1>}	H(C[6]C[3x6]C[6]H)	108.4477	0.880	4	108.6996	0.404	16	109.0109	0.466	24	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[6]HH)(H)2	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<1>,4|C<4>,5|O<2>,7|H<1>}	H(C[6]C[3x6]C[6]H)	109.6334	0.040	8	109.6334	0.002	8	109.0109	0.466	24	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]HH)(H)2	C[3x6](C[5,3x6]N[5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[3x6](C[5,3x6]N[5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[3x6]C[6]H)	109.3282	1.336	6	108.9741	1.375	12	108.9741	1.375	12	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]HH)(H)2	C[3x6](C[5,3x6]N[5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	C[3x6](C[5,3x6]N[5,6,6]C[5,6]H)(C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	H(C[6]C[3x6]C[6]H)	108.6200	0.969	6	108.9741	1.375	12	108.9741	1.375	12	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[5,4x6]HH)(H)2	C[3x6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[5,4x6]HH)(H)2{8|C<4>}	C[3x6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){10|H<1>,1|N<3>,4|C<4>}	H(C[6]C[3x6]C[6]H)	108.8020	0.000	1	108.8020	0.000	1	109.3866	1.969	19	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	H(C[6]C[3x6]C[6]H)	108.9997	2.304	6	108.8297	3.004	10	109.3866	1.969	19	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	H(C[6]C[3x6]C[6]H)	108.6920	0.004	2	108.8297	3.004	10	109.3866	1.969	19	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	H(C[6]C[3x6]C[6]H)	108.4575	0.030	2	108.8297	3.004	10	109.3866	1.969	19	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<4>}	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	H(C[6]C[3x6]C[6]H)	110.2695	0.042	2	110.1559	0.033	8	109.3866	1.969	19	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<4>}	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|Cl<1>,2|C<3>,3|C<4>,8|H<1>}	H(C[6]C[3x6]C[6]H)	110.3200	0.008	2	110.1559	0.033	8	109.3866	1.969	19	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<4>}	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	H(C[6]C[3x6]C[6]H)	110.1515	0.018	2	110.1559	0.033	8	109.3866	1.969	19	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[5,3x6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	H(C[6]C[3x6]C[6]H)	109.8825	0.012	2	110.1559	0.033	8	109.3866	1.969	19	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,4x6]-4:C[4x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[5,4x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	C[3x6](C[5,4x6]C[5,6,6]C[4x6]C[5])(C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,4x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[3x6](C[5,4x6]C[5,6,6]C[4x6]C[5])(C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,4|O<2>,6|H<1>}	H(C[6]C[3x6]C[6]H)	111.2765	1.142	2	111.2765	1.304	2	109.7952	3.360	4	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,4x6]-4:C[4x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[5,4x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	C[3x6](C[5,4x6]C[5,6,6]C[4x6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,4x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[3x6](C[5,4x6]C[5,6,6]C[4x6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,3|O<2>,7|H<1>}	H(C[6]C[3x6]C[6]H)	108.3140	0.027	2	108.3140	0.001	2	109.7952	3.360	4	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[5,6,6]C[3x6]H)(C[6]C[6]HH)(H)2	C[3x6](C[5,6,6]C[5,6]N[5,6]H)(C[3x6]C[6]3)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,6,6]C[3x6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,6]N[5,6]H)(C[3x6]C[6]3)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|C<4>,8|H<1>}	H(C[6]C[3x6]C[6]H)	109.7815	0.084	4	109.7815	0.007	4	109.7815	0.007	4	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]N[6]HH)(H)2	C[3x6](C[6,6]C[5a,6]C[6]C)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[3x6](C[6,6]C[5a,6]C[6]C)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|N<3>,6|H<1>}	H(C[6]C[3x6]C[6]H)	108.9285	0.013	2	108.9285	0.000	2	108.6436	2.916	11	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]N[6]HH)(H)2	C[3x6](C[6,6]C[5a,6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[3x6](C[6,6]C[5a,6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|N<3>,6|H<1>}	H(C[6]C[3x6]C[6]H)	108.9120	0.000	1	108.9120	0.000	1	108.6436	2.916	11	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]N[6]HH)(H)2	C[3x6](C[6,6]C[5a,6]O[6]C)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[3x6](C[6,6]C[5a,6]O[6]C)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|N<3>,5|H<1>}	H(C[6]C[3x6]C[6]H)	109.1358	2.233	4	109.1358	4.985	4	108.6436	2.916	11	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]O[6]HH)(H)2	C[3x6](C[6,6]C[5a,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]O[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[5a,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[3x6]C[6]H)	107.9420	1.918	4	107.9420	3.679	4	108.6436	2.916	11	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[4x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,7|H<1>}	H(C[6]C[3x6]C[6]H)	109.2695	0.028	2	109.2695	0.001	2	109.2695	0.001	2	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:I-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]O[6]CH)(H)(I)	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]2H)(C[6]C[6]HI)(H)	H(C[6]C[3x6]C[6]I)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]O[6]CH)(H)(I){1|H<1>,5|C<3>}	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]2H)(C[6]C[6]HI)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>,3|O<1>}	H(C[6]C[3x6]C[6]I)	109.5870	0.000	1	109.5870	0.000	1	109.5870	0.000	1	109.2683	0.930	193	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[5,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]O)(C[5,6]O[5,6]O[5]C)(H)2	C[3x6](C[3x6]C[5,6,6]C[6]O)(C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(OH)	H(C[6]C[3x6]C[5,6]H)	C[6](C[3x6]C[3x6]C[6,6]O)(C[5,6]O[5,6]O[5]C)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[3x6](C[3x6]C[5,6,6]C[6]O)(C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(OH){1|O<1>,2|H<1>,3|O<2>,5|C<4>}	H(C[6]C[3x6]C[5,6]H)	109.0225	0.019	2	109.0225	0.000	2	109.0225	0.000	2	109.2545	0.184	63	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[6]-4:C[6]-2:	C[6]-4:	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[6,6]2H)2(C[6]C[6]HH)(C[6]N[6])	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,6|C<4>}	C[3x6](C[3x6]C[6,6]2H)2(C[6]C[6]HH)(C[6]N[6]){10|H<1>,1|C<3>,3|C<4>}	H(C[6]C[3x6]C[6]H)	109.4345	0.021	2	109.4345	0.000	2	109.4345	0.000	2	109.2545	0.184	63	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[5,6]HH)(H)2	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|O<2>,3|C<4>}	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){2|C<3>,3|C<4>,8|H<1>}	H(C[6]C[3x6]C[6]H)	109.3180	0.049	2	109.3180	0.002	2	109.3787	0.053	8	109.2545	0.184	63	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[6,6]C[6]N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[6,6]C[6]N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){1|C<3>,3|C<4>,9|H<1>}	H(C[6]C[3x6]C[6]H)	109.3575	0.019	2	109.3575	0.000	2	109.3787	0.053	8	109.2545	0.184	63	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[6,6a]C[6]N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[6,6a]C[6]N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){10|H<1>,2|C<3>,2|C<4>}	H(C[6]C[3x6]C[6]H)	109.1225	0.016	2	109.1225	0.000	2	109.3787	0.053	8	109.2545	0.184	63	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){10|H<1>,1|C<3>,3|C<4>}	H(C[6]C[3x6]C[6]H)	109.7170	0.025	2	109.7170	0.001	2	109.3787	0.053	8	109.2545	0.184	63	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[3x6]C[4,6,6]C[6,6]O[6])(C[6]C[5,6]CH)(H)2	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[5,6])	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4,6,6]C[6,6]O[6])(C[6]C[5,6]CH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[5,6]){1|C<3>,5|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]H)	108.9926	0.174	7	108.9926	0.030	7	108.9376	0.020	13	109.2545	0.184	63	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[3x6]C[4,6,6]C[6,6]O[6])(C[6]C[6,6]CH)(H)2	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6,6])	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4,6,6]C[6,6]O[6])(C[6]C[6,6]CH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,5|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]H)	108.8735	0.048	6	108.8735	0.002	6	108.9376	0.020	13	109.2545	0.184	63	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[3x6]C[4x6]2O)(C[6]C[6]HH)(H)2	C[3x6](C[4x6]C[6,6]C[6x6]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]HH)(OH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]2O)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[3x6](C[4x6]C[6,6]C[6x6]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]HH)(OH){1|C<2>,1|C<3>,1|O<2>,4|C<4>,8|H<1>}	H(C[6]C[3x6]C[6]H)	109.0220	0.004	2	108.9600	0.012	3	108.9600	0.012	3	109.2545	0.184	63	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[3x6]C[4x6]2O)(C[6]C[6]HH)(H)2	C[3x6](C[4x6]C[6,6]C[6x6]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]HH)(OH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]2O)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[3x6](C[4x6]C[6,6]C[6x6]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,6|C<4>,7|H<1>}	H(C[6]C[3x6]C[6]H)	108.8360	0.000	1	108.9600	0.012	3	108.9600	0.012	3	109.2545	0.184	63	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]O)(C[6]C[6]HH)(H)2	C[3x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CC)(C[6]C[6]HH)(OH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]O)(C[6]C[6]HH)(H)2{1|H<1>,7|C<4>}	C[3x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CC)(C[6]C[6]HH)(OH){3|C<4>,6|H<1>}	H(C[6]C[3x6]C[6]H)	108.1145	0.011	2	108.1145	0.000	2	108.9150	0.856	4	109.2545	0.184	63	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]O)(C[6]C[6]HH)(H)2	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]O)(C[6]C[6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){1|C<3>,4|C<4>,9|H<1>}	H(C[6]C[3x6]C[6]H)	109.7155	0.066	2	109.7155	0.004	2	108.9150	0.856	4	109.2545	0.184	63	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[5,6]HH)(H)2	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,4|C<4>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	H(C[6]C[3x6]C[6]H)	109.6185	0.028	2	109.5893	0.001	6	109.6836	0.139	16	109.2545	0.184	63	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[5,6]HH)(H)2	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<4>,1|O<2>,4|C<4>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	H(C[6]C[3x6]C[6]H)	109.5747	0.015	4	109.5893	0.001	6	109.6836	0.139	16	109.2545	0.184	63	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[6]HH)(H)2	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	H(C[6]C[3x6]C[6]H)	109.4015	0.019	2	109.7401	0.222	10	109.6836	0.139	16	109.2545	0.184	63	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[6]HH)(H)2	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<4>,1|O<1>,3|C<4>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,2|C<4>,3|C<3>,7|H<1>}	H(C[6]C[3x6]C[6]H)	109.9990	0.018	2	109.7401	0.222	10	109.6836	0.139	16	109.2545	0.184	63	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[6]HH)(H)2	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<4>,1|O<1>,3|C<4>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<2>,2|C<4>,3|C<3>,8|H<1>}	H(C[6]C[3x6]C[6]H)	109.7300	0.000	1	109.7401	0.222	10	109.6836	0.139	16	109.2545	0.184	63	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[6]HH)(H)2	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<4>,1|O<1>,3|C<4>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<2>,3|C<3>,3|C<4>,7|H<1>}	H(C[6]C[3x6]C[6]H)	110.0595	0.023	4	109.7401	0.222	10	109.6836	0.139	16	109.2545	0.184	63	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[6]HH)(H)2	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	H(C[6]C[3x6]C[6]H)	108.6320	0.000	1	109.7401	0.222	10	109.6836	0.139	16	109.2545	0.184	63	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,4x6]-4:C[4x6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[3x6]C[5,4x6]C[4x6]O)(C[6]C[6]HH)(H)2	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,4x6]C[4x6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH){1|N<2>,6|H<1>,7|C<4>}	H(C[6]C[3x6]C[6]H)	109.3303	0.090	6	109.2654	0.015	9	109.1644	0.062	11	109.2545	0.184	63	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,4x6]-4:C[4x6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[3x6]C[5,4x6]C[4x6]O)(C[6]C[6]HH)(H)2	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,4x6]C[4x6]O)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH){1|C<3>,1|N<3>,6|C<4>,7|H<1>}	H(C[6]C[3x6]C[6]H)	109.1500	0.000	1	109.2654	0.015	9	109.1644	0.062	11	109.2545	0.184	63	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,4x6]-4:C[4x6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[3x6]C[5,4x6]C[4x6]O)(C[6]C[6]HH)(H)2	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,4x6]C[4x6]O)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,5|C<4>,8|H<1>}	H(C[6]C[3x6]C[6]H)	109.1285	0.015	2	109.2654	0.015	9	109.1644	0.062	11	109.2545	0.184	63	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,4x6]-4:C[4x6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[3x6]C[5,4x6]C[4x6]O)(C[6]C[6]HH)(H)2	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]O)(C[6]C[6]HH)(OH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,4x6]C[4x6]O)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]O)(C[6]C[6]HH)(OH){1|C<3>,1|N<3>,6|C<4>,7|H<1>}	H(C[6]C[3x6]C[6]H)	108.7095	0.021	2	108.7095	0.000	2	109.1644	0.062	11	109.2545	0.184	63	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(H)2	C[3x6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6]){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[3x6]C[6]H)	109.3100	0.016	2	109.3100	0.000	2	109.1540	0.039	4	109.2545	0.184	63	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(H)2	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	H(C[6]C[3x6]C[6]H)	108.9000	0.000	1	108.9000	0.000	1	109.1540	0.039	4	109.2545	0.184	63	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(H)2	C[3x6](C[6,6]C[6]2C)2(C[6]C[6]HH)(O[6]C[6,6])	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,5|C<4>}	C[3x6](C[6,6]C[6]2C)2(C[6]C[6]HH)(O[6]C[6,6]){3|C<3>,3|C<4>,7|H<1>}	H(C[6]C[3x6]C[6]H)	109.0960	0.000	1	109.0960	0.000	1	109.1540	0.039	4	109.2545	0.184	63	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]N[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6]HH)(H)2{1|N<2>,4|C<4>,5|H<1>}	C[3x6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]N[6]H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6]C[3x6]C[6]H)	109.3075	0.006	2	109.3075	0.000	2	109.1958	0.017	4	109.0254	0.090	14	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[6,6]2H)2(C[6]C[6]HH)(C[6]N[6]Rh)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6]HH)(H)2{1|Rh<4>,1|N<3>,2|H<1>,6|C<4>}	C[3x6](C[3x6]C[6,6]2H)2(C[6]C[6]HH)(C[6]N[6]Rh){10|H<1>,1|C<3>,3|C<4>}	H(C[6]C[3x6]C[6]H)	109.0840	0.031	2	109.0840	0.001	2	109.1958	0.017	4	109.0254	0.090	14	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[6]N[6]O[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CCO)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[6]N[6]O[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CCO){1|C<3>,3|C<4>,8|H<1>}	H(C[6]C[3x6]C[6]H)	109.5535	0.018	2	109.5535	0.000	2	109.5535	0.000	2	109.0254	0.090	14	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]CH)(H)2	C[3x6](C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2(N[6]C[6]C)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]CH)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2(N[6]C[6]C){2|O<1>,4|C<4>,4|H<1>}	H(C[6]C[3x6]C[6]H)	108.7810	0.018	2	108.7810	0.000	2	108.8083	0.010	8	109.0254	0.090	14	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]CH)(H)2	C[3x6](C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2(N[6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2(N[6]C[6]H){2|O<1>,4|C<4>,4|H<1>}	H(C[6]C[3x6]C[6]H)	108.9230	0.000	1	108.9230	0.000	1	108.8083	0.010	8	109.0254	0.090	14	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]CH)(H)2	C[3x6](C[3x6]C[6,6]C[6]O)(C[6]C[6]HH)2(N[6]C[6]C)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[3x6](C[3x6]C[6,6]C[6]O)(C[6]C[6]HH)2(N[6]C[6]C){1|O<1>,4|C<4>,6|H<1>}	H(C[6]C[3x6]C[6]H)	108.6705	0.040	2	108.6705	0.002	2	108.8083	0.010	8	109.0254	0.090	14	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:3:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[6]3)(C[6]C[6]HH)2(N[6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[3x6](C[3x6]C[6]3)(C[6]C[6]HH)2(N[6]C[6]H){2|O<1>,3|C<4>,8|H<1>}	H(C[6]C[3x6]C[6]H)	108.8800	0.040	3	108.8800	0.002	3	108.8083	0.010	8	109.0254	0.090	14	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:B[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6]2C[6])(B[6]C[6a]2C[6])(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(C[6]B[6]HH)(C[6]C[6]CH)	H(C[6]C[3x6]B[6]H)	C[6](C[3x6]C[6,6]2C[6])(B[6]C[6a]2C[6])(H)2{3|C<4>,6|C<3>,6|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(C[6]B[6]HH)(C[6]C[6]CH){1|P<4>,3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[3x6]B[6]H)	107.5830	0.023	2	107.5830	0.001	2	107.5830	0.001	2	108.7173	0.826	96	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[3,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[4x6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[3x6]C[5,5,6,6]C[4x6]C)(C[3,6]C[3,6,6]O[3]H)(H)2	C[3x6](C[5,5,6,6]C[3,5,6]C[3x5,6]C[5])(C[4x6]C[5,6,6]C[6,6]2)(C[6]C[3,6]HH)(CH3)	H(C[6]C[3,6]C[3x6]H)	C[6](C[3x6]C[5,5,6,6]C[4x6]C)(C[3,6]C[3,6,6]O[3]H)(H)2{2|C<3>,5|C<4>}	C[3x6](C[5,5,6,6]C[3,5,6]C[3x5,6]C[5])(C[4x6]C[5,6,6]C[6,6]2)(C[6]C[3,6]HH)(CH3){1|C<3>,1|O<1>,3|H<1>,5|O<2>,6|C<4>}	H(C[6]C[3,6]C[3x6]H)	109.2903	0.135	7	109.2903	0.018	7	109.2903	0.018	7	108.7173	0.826	96	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:Cl-1:H-1:	C[4x6]-4:C[3x6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6,6]HH)(Cl)(H)	C[3x6](C[4x6]C[6,6]2O[6,6])(C[3x6]C[4x6]C[6]H)(C[6]C[6]ClH)(CH3)	H(C[6]C[3x6]C[6]Cl)	C[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6,6]HH)(Cl)(H){1|O<2>,2|H<1>,5|C<4>}	C[3x6](C[4x6]C[6,6]2O[6,6])(C[3x6]C[4x6]C[6]H)(C[6]C[6]ClH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6]C[3x6]C[6]Cl)	107.5740	0.000	1	107.5740	0.000	1	107.5740	0.000	1	108.7173	0.826	96	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	B[3x6]-4:C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]B[3x6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[3x6](B[3x6]C[6,6]2N[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]B[3x6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,5|C<4>,5|H<1>}	C[3x6](B[3x6]C[6,6]2N[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)2{12|H<1>,2|C<3>,3|C<4>}	H(C[6]C[3x6]C[6]H)	109.6880	2.693	4	109.6880	7.251	4	109.6880	7.251	4	108.7173	0.826	96	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]N[6]HH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,4|C<4>,6|H<1>}	C[3x6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]N[6]HH){1|C<3>,6|H<1>,7|C<4>}	H(C[6]C[3x6]C[6]H)	108.4840	0.000	1	108.4840	0.000	1	108.5520	0.007	8	108.7173	0.826	96	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[6,6]2H)2(C[6]C[6]HH)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6]HH)(H)2{1|N<4>,5|C<4>,5|H<1>}	C[3x6](C[3x6]C[6,6]2H)2(C[6]C[6]HH)2{12|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	108.5617	0.083	7	108.5617	0.007	7	108.5520	0.007	8	108.7173	0.826	96	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,2|C<4>,7|H<1>}	H(C[6]C[3x6]C[6]H)	107.7095	0.043	2	107.7095	0.002	2	107.7095	0.002	2	108.7173	0.826	96	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(C[6]C[6]HH)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,3|H<1>,5|C<4>}	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(C[6]C[6]HH)2{1|C<3>,1|C<4>,2|O<2>,7|H<1>}	H(C[6]C[3x6]C[6]H)	108.9280	0.050	3	108.9280	0.002	3	108.6164	1.822	20	108.7173	0.826	96	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(C[6]C[6]HH)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,4|C<4>,6|H<1>}	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(C[6]C[6]HH)2{1|C<3>,2|C<4>,9|H<1>}	H(C[6]C[3x6]C[6]H)	108.1041	2.086	8	108.1041	4.349	8	108.6164	1.822	20	108.7173	0.826	96	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH){2|C<3>,3|C<4>,7|H<1>}	H(C[6]C[3x6]C[6]H)	109.1503	0.056	6	109.1503	0.003	6	108.6164	1.822	20	108.7173	0.826	96	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]H)	108.6885	0.022	2	108.6885	0.000	2	108.6164	1.822	20	108.7173	0.826	96	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HO)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|O<2>,4|C<4>,5|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HO){1|C<3>,5|C<4>,7|H<1>}	H(C[6]C[3x6]C[6]H)	108.4310	0.000	1	108.4310	0.000	1	108.6164	1.822	20	108.7173	0.826	96	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[5,6]HH)(H)2	C[3x6](C[3x6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[6]O[6]CH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[3x6](C[3x6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[6]O[6]CH){1|N<3>,2|C<4>,7|H<1>}	H(C[6]C[3x6]C[6]H)	108.5288	0.041	4	108.5288	0.002	4	108.7575	0.082	27	108.7173	0.826	96	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[6]O[6]CH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[3x6](C[3x6]C[5,6,6]C[6]H)(C[6]C[6]HH)2(C[6]O[6]CH){1|N<3>,2|C<4>,7|H<1>}	H(C[6]C[3x6]C[6]H)	108.8615	0.079	4	108.8615	0.006	4	108.7575	0.082	27	108.7173	0.826	96	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[6,6]O[6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,7|H<1>}	C[3x6](C[3x6]C[6,6]O[6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)2{4|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]H)	108.5162	0.066	4	108.8999	0.171	8	108.7575	0.082	27	108.7173	0.826	96	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[6,6]O[6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|O<2>,6|H<1>}	C[3x6](C[3x6]C[6,6]O[6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)2{4|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]H)	109.2835	0.043	4	108.8999	0.171	8	108.7575	0.082	27	108.7173	0.826	96	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[6]2N[6])(C[6]C[6]HH)3	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,4|C<4>,4|H<1>}	C[3x6](C[3x6]C[6]2N[6])(C[6]C[6]HH)3{11|H<1>,1|C<4>,2|C<3>}	H(C[6]C[3x6]C[6]H)	108.7624	0.251	7	108.6993	0.047	11	108.7575	0.082	27	108.7173	0.826	96	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[6]2N[6])(C[6]C[6]HH)3	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H)2{1|N<3>,4|C<4>,6|H<1>}	C[3x6](C[3x6]C[6]2N[6])(C[6]C[6]HH)3{11|H<1>,1|C<4>,2|C<3>}	H(C[6]C[3x6]C[6]H)	108.5888	0.066	4	108.6993	0.047	11	108.7575	0.082	27	108.7173	0.826	96	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[3x6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6]HH)(H)2	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[4x6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[4x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[6]C[3x6]C[6]H)	109.3240	0.031	2	109.3240	0.001	2	109.1605	0.036	4	108.7173	0.826	96	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[3x6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6]HH)(H)2	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6]C[6]HH)(CHHO)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6]C[6]HH)(CHHO){1|C<3>,2|C<4>,8|H<1>}	H(C[6]C[3x6]C[6]H)	108.9970	0.006	2	108.9970	0.000	2	109.1605	0.036	4	108.7173	0.826	96	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[6]2)(C[6]C[5,6]HH)(H)2	C[3x6](C[5,3x6]C[5,5,6,6]N[5,6]H)(C[6]C[6]HH)3	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[6]2)(C[6]C[5,6]HH)(H)2{1|N<3>,1|N<4>,2|C<3>,2|C<4>,5|H<1>}	C[3x6](C[5,3x6]C[5,5,6,6]N[5,6]H)(C[6]C[6]HH)3{1|C<3>,1|O<1>,4|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]H)	109.4480	0.055	2	109.4480	0.003	2	109.3850	0.006	4	108.7173	0.826	96	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[6]2)(C[6]C[6]HH)(H)2	C[3x6](C[5,3x6]C[5,5,6,6]N[5,6]H)(C[6]C[6]HH)3	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,7|H<1>}	C[3x6](C[5,3x6]C[5,5,6,6]N[5,6]H)(C[6]C[6]HH)3{1|C<3>,1|O<1>,4|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]H)	109.3220	0.007	2	109.3220	0.000	2	109.3850	0.006	4	108.7173	0.826	96	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,4x6]-4:C[3x6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[3x6]C[5,4x6]C[3x6]C)(C[6]C[6]HH)(H)2	C[3x6](C[5,4x6]C[5,3x6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,4x6]C[3x6]C)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	C[3x6](C[5,4x6]C[5,3x6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(CH3){1|N<3>,1|O<2>,4|C<4>,9|H<1>}	H(C[6]C[3x6]C[6]H)	107.6835	0.026	2	107.6835	0.001	2	107.6835	0.001	2	108.7173	0.826	96	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6,6]HH)(H)2	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6,6]HH)(H)2{1|O<2>,5|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]C[6]HH)(C[6]O[6]HH){1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]H)	108.8450	0.028	2	108.8450	0.001	2	108.5449	0.150	15	108.7173	0.826	96	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6,6]HH)(H)2	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)2{1|O<1>,1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[3x6]C[6]H)	109.0507	0.013	3	109.0507	0.000	3	108.5449	0.150	15	108.7173	0.826	96	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]HH)(H)2	C[3x6](C[6,6]C[6]2O)2(C[6]C[6]HH)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[6]2O)2(C[6]C[6]HH)2{10|H<1>,1|C<4>,2|C<3>}	H(C[6]C[3x6]C[6]H)	108.6045	0.073	2	108.6045	0.005	2	108.5449	0.150	15	108.7173	0.826	96	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]HH)(H)2	C[3x6](C[6,6]C[6]O[6]C)(C[6,6]C[6,6]HH)(C[6]C[6]CC)(C[6]C[6]HH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[3x6](C[6,6]C[6]O[6]C)(C[6,6]C[6,6]HH)(C[6]C[6]CC)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]H)	108.2652	0.272	8	108.2652	0.074	8	108.5449	0.150	15	108.7173	0.826	96	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:2:1:	3:2:2:4:	4:	C[3x6]-4:C[6]-4:O-2:H-1:	C[6,6,6a]-3:O[6,6]-2:O[6]-2:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6,6a]O[6,6]O[6])(C[6]C[6]ClH)(OH)(H)	C[3x6](C[6,6,6a]C[6,6a]2)(O[6,6]C[3x6])(O[6]C[6,6a])(C[6]C[6]HO)	H(C[6]C[3x6]C[6]O)	C[6](C[3x6]C[6,6,6a]O[6,6]O[6])(C[6]C[6]ClH)(OH)(H){1|C<4>,1|O<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6a]2)(O[6,6]C[3x6])(O[6]C[6,6a])(C[6]C[6]HO){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,5|C<3>}	H(C[6]C[3x6]C[6]O)	110.3440	0.000	1	110.3440	0.000	1	109.9815	0.263	2	109.9815	0.263	2	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:2:1:	3:2:2:4:	4:	C[3x6]-4:C[6]-4:O-2:H-1:	C[6,6,6a]-3:O[6,6]-2:O[6]-2:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6,6a]O[6,6]O[6])(C[6]C[6]HH)(OC)(H)	C[3x6](C[6,6,6a]C[6,6a]2)(O[6,6]C[3x6])(O[6]C[6,6a])(C[6]C[6]HO)	H(C[6]C[3x6]C[6]O)	C[6](C[3x6]C[6,6,6a]O[6,6]O[6])(C[6]C[6]HH)(OC)(H){1|C<4>,1|O<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6a]2)(O[6,6]C[3x6])(O[6]C[6,6a])(C[6]C[6]HO){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[3x6]C[6]O)	109.6190	0.000	1	109.6190	0.000	1	109.9815	0.263	2	109.9815	0.263	2	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:2:1:	4:3:4:4:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[3x6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C[6]H)(OH)(H)	C[3x6](C[6,6]C[4x6]CH)(C[3x6]C[6,6]2)(C[6]C[6,6]HO)(C[6]O[6]HO)	H(C[6]C[3x6]C[6,6]O)	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C[6]H)(OH)(H){3|C<3>,3|C<4>,3|H<1>,3|O<2>}	C[3x6](C[6,6]C[4x6]CH)(C[3x6]C[6,6]2)(C[6]C[6,6]HO)(C[6]O[6]HO){1|H<1>,3|C<4>,4|C<3>}	H(C[6]C[3x6]C[6,6]O)	106.0510	0.000	1	106.0510	0.000	1	106.0510	0.000	1	106.0510	0.000	1	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:2:1:	4:4:3:2:	4:	C[3x6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[6]-4:C[6]-3:O[6]-2:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HH)(OH)(H)	C[3x6](C[3x6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)(O[6]C[6])	H(C[6]C[3x6]C[6]O)	C[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[3x6](C[3x6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)(O[6]C[6]){1|C<3>,3|C<4>,7|H<1>}	H(C[6]C[3x6]C[6]O)	108.5450	0.000	1	108.5450	0.000	1	108.5450	0.000	1	108.5450	0.000	1	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:O-2:H-1:	C[4x6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6]CC)(OH)(H)	C[3x6](C[4x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HO)(H)	H(C[6]C[3x6]C[6]O)	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6]CC)(OH)(H){2|H<1>,3|C<3>,3|C<4>}	C[3x6](C[4x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HO)(H){2|O<1>,4|H<1>,7|C<4>}	H(C[6]C[3x6]C[6]O)	107.3665	0.749	2	107.3665	0.561	2	107.3665	0.561	2	108.2369	0.681	7	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OC)(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HO)(H)	H(C[6]C[3x6]C[6]O)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|H<1>,6|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HO)(H){2|C<3>,3|C<4>,4|O<2>,9|H<1>}	H(C[6]C[3x6]C[6]O)	109.0010	0.000	1	108.7970	0.083	2	108.4218	0.290	4	108.2369	0.681	7	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OC)(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HO)(H)	H(C[6]C[3x6]C[6]O)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OC)(H){1|H<1>,2|C<3>,5|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HO)(H){1|C<3>,1|O<1>,3|O<2>,4|C<4>,8|H<1>}	H(C[6]C[3x6]C[6]O)	108.5930	0.000	1	108.7970	0.083	2	108.4218	0.290	4	108.2369	0.681	7	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OH)(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HO)(H)	H(C[6]C[3x6]C[6]O)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HO)(H){1|C<3>,4|C<4>,4|O<2>,9|H<1>}	H(C[6]C[3x6]C[6]O)	108.0465	0.473	2	108.0465	0.224	2	108.4218	0.290	4	108.2369	0.681	7	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,5]C[6]H)(C[3x6]C[3x6]2H)(OH)(H)	C[3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[6]C[6]HO)(H)	H(C[6]C[3x6]C[6]O)	C[6](C[6]C[5,5]C[6]H)(C[3x6]C[3x6]2H)(OH)(H){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[6]C[6]HO)(H){1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[3x6]C[6]O)	109.2380	0.000	1	109.2380	0.000	1	109.2380	0.000	1	108.2369	0.681	7	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:2:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O[6,6]-2:	C[6]-4:	C[6](C[3x6]C[6,6]2O[6,6])(C[6]C[6]HH)(O[6]C[6])(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6]C[6]O[6]H)(O[6,6]C[6,6])	H(C[6]C[3x6]C[6]O[6])	C[6](C[3x6]C[6,6]2O[6,6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6]C[6]O[6]H)(O[6,6]C[6,6]){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]O[6])	107.9640	0.000	1	107.9640	0.000	1	107.9640	0.000	1	107.9640	0.000	1	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:2:1:	4:4:4:4:	4:	C[3x6]-4:C-4:O[6]-2:H-1:	C[3x6]-4:C[4,6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[3x6]C[4,6,6]C[3x6]C)(CC[6a]CO)(O[6]C[6])(H)	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]O[6]CH)(CH3)	H(C[6]C[3x6]O[6]C)	C[6](C[3x6]C[4,6,6]C[3x6]C)(CC[6a]CO)(O[6]C[6])(H){1|O<2>,2|H<1>,5|C<4>}	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]O[6]CH)(CH3){4|C<4>,4|H<1>}	H(C[6]C[3x6]O[6]C)	106.8830	0.000	1	106.8830	0.000	1	106.8830	0.000	1	107.7680	2.245	3	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:2:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:N[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6]3)(C[6]C[6]HH)(N[6]C[6])(H)	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]N[6]H)	H(C[6]C[3x6]C[6]N[6])	C[6](C[3x6]C[6,6]3)(C[6]C[6]HH)(N[6]C[6])(H){2|O<2>,4|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]N[6]H){1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]N[6])	106.9230	0.000	1	106.9230	0.000	1	106.9230	0.000	1	107.7680	2.245	3	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:2:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[3,6]C[3x6]C[6])(C[6]C[6]HH)(OH)(H)	C[3x6](C[3,6]C[3]C[6]O[3])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]O[6]HH)	H(C[6]C[3x6]C[6]O)	C[6](C[3x6]C[3,6]C[3x6]C[6])(C[6]C[6]HH)(OH)(H){2|O<2>,4|H<1>,5|C<4>}	C[3x6](C[3,6]C[3]C[6]O[3])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]O[6]HH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[6]C[3x6]C[6]O)	109.4980	0.000	1	109.4980	0.000	1	109.4980	0.000	1	107.7680	2.245	3	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:3:1:	3:4:4:1:	4:	C[3x6]-4:C[6]-4:C-3:H-1:	C[3x6]-3:C[3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(COO)(H)	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]CH)(H)	H(C[6]C[3x6]C[6]C)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(COO)(H){2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]CH)(H){1|Br<1>,1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]C)	108.3930	0.000	1	108.2280	0.054	2	108.2280	0.054	2	108.2280	0.054	2	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:3:1:	3:4:4:1:	4:	C[3x6]-4:C[6]-4:C-3:H-1:	C[3x6]-3:C[3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(COO)(H)	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]CH)(H)	H(C[6]C[3x6]C[6]C)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(COO)(H){2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]CH)(H){2|Br<1>,1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]C)	108.0630	0.000	1	108.2280	0.054	2	108.2280	0.054	2	108.2280	0.054	2	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C-3:H-1:	C[5,6,6]-4:C[5,3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]HO)(COO)(H)	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6]C[6]CH)(H)	H(C[6]C[3x6]C[6]C)	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]HO)(COO)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6]C[6]CH)(H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	H(C[6]C[3x6]C[6]C)	108.5130	0.000	1	108.5130	0.000	1	108.5130	0.000	1	107.8960	0.761	2	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[3x6]-4:C[6a]-3:H-1:	C[4x6]-4:C[6]-4:C[3x6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]O)(C[3x6]C[3x6]C[4x6]H)(C[6a]C[6a]2)(H)	C[3x6](C[4x6]C[6,6]2C[6])(C[6]C[6,6]C[6a]H)(C[3x6]C[6,6]2H)(H)	H(C[6]C[3x6]C[6,6]C[6a])	C[6](C[6,6]C[6,6a]C[6,6]O)(C[3x6]C[3x6]C[4x6]H)(C[6a]C[6a]2)(H){3|H<1>,5|C<3>,6|C<4>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6]C[6,6]C[6a]H)(C[3x6]C[6,6]2H)(H){10|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[6]C[3x6]C[6,6]C[6a])	107.2790	0.000	1	107.2790	0.000	1	107.2790	0.000	1	107.8960	0.761	2	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:3:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]HH)(CCH)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(C[6]B[6]HH)(C[6]C[6]CH)	H(C[6]C[3x6]C[6]C)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]HH)(CCH)(H){1|B<4>,1|C<3>,2|C<4>,7|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(C[6]B[6]HH)(C[6]C[6]CH){1|P<4>,3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[3x6]C[6]C)	107.4780	0.000	1	107.4780	0.000	1	107.4780	0.000	1	107.2584	0.301	5	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:3:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6]3)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]N[6]H)	H(C[6]C[3x6]C[6]N[6])	C[6](C[3x6]C[6,6]3)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]N[6]H){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[3x6]C[6]N[6])	107.5520	0.119	2	107.2035	0.382	4	107.2035	0.382	4	107.2584	0.301	5	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:3:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6]3)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]N[6]H)	H(C[6]C[3x6]C[6]N[6])	C[6](C[3x6]C[6,6]3)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,1|O<2>,4|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]N[6]H){1|C<3>,4|C<4>,6|H<1>}	H(C[6]C[3x6]C[6]N[6])	107.4230	0.000	1	107.2035	0.382	4	107.2035	0.382	4	107.2584	0.301	5	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:3:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6]3)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]N[6]H)	H(C[6]C[3x6]C[6]N[6])	C[6](C[3x6]C[6,6]3)(C[6]C[6]HH)(N[6]C[6]H)(H){2|O<1>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]N[6]H){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[3x6]C[6]N[6])	106.2870	0.000	1	107.2035	0.382	4	107.2035	0.382	4	107.2584	0.301	5	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:4:1:	3:4:2:4:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6,6a]C[6,6]O[6,6])(C[6]C[6]HH)2(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(C[6]C[6]2H)	H(C[6]C[3x6]C[6]2)	C[6](C[3x6]C[6,6,6a]C[6,6]O[6,6])(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,6|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(C[6]C[6]2H){1|O<1>,2|C<3>,3|C<4>,7|H<1>}	H(C[6]C[3x6]C[6]2)	106.9200	0.276	2	106.9200	0.076	2	106.9200	0.076	2	106.9200	0.076	2	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:4:1:	4:3:4:1:	4:	C[3x6]-4:C[6]-4:C-4:H-1:	C[5,4x6]-4:N[3x6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[5,4x6]N[3x6]H)(C[6]C[6]HH)(CCCH)(H)	C[3x6](C[5,4x6]C[5,3x6]C[3x6]C[5])(N[3x6]C[3x6]C[6,6])(C[6]C[6]CH)(H)	H(C[6]C[3x6]C[6]C)	C[6](C[3x6]C[5,4x6]N[3x6]H)(C[6]C[6]HH)(CCCH)(H){2|H<1>,5|C<4>}	C[3x6](C[5,4x6]C[5,3x6]C[3x6]C[5])(N[3x6]C[3x6]C[6,6])(C[6]C[6]CH)(H){1|O<2>,7|C<4>,7|H<1>}	H(C[6]C[3x6]C[6]C)	105.7460	0.000	1	105.7460	0.000	1	105.7460	0.000	1	105.7460	0.000	1	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:4:1:	4:4:2:4:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6]2O[6,6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[3x6]HH)2(O[6,6]C[3x6])(C[6]C[6]2H)	H(C[6]C[3x6]C[6]2)	C[6](C[3x6]C[6,6]2O[6,6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(O[6,6]C[3x6])(C[6]C[6]2H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]2)	106.8760	0.000	1	106.8760	0.000	1	106.8760	0.000	1	106.8760	0.000	1	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C-4:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]CH)(CCHH)(H)	C[3x6](C[4x6]C[6,6]2O[6])(C[6,6]C[3x6]HO)(C[6]C[6]CH)(H)	H(C[6]C[3x6]C[6]C)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[3x6](C[4x6]C[6,6]2O[6])(C[6,6]C[3x6]HO)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]C)	108.9140	0.000	1	108.9140	0.000	1	108.2940	0.769	2	108.2940	0.769	2	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C-4:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	C[3x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]CH)(H)	H(C[6]C[3x6]C[6]C)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]CH)(H){1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]C)	107.6740	0.000	1	107.6740	0.000	1	108.2940	0.769	2	108.2940	0.769	2	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:4:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]O[6])(C[6]C[6]HO)(CH3)(H)	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(C[6]C[6]CH)(O[6]C[6])	H(C[6]C[3x6]C[6]C)	C[6](C[3x6]C[3x6]C[6,6]O[6])(C[6]C[6]HO)(CH3)(H){2|C<3>,2|H<1>,5|C<4>}	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(C[6]C[6]CH)(O[6]C[6]){2|O<1>,2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]C)	105.7620	0.000	1	105.7620	0.000	1	105.7620	0.000	1	106.5246	0.741	30	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:4:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H)	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]C[6]CH)(O[6]O[6])	H(C[6]C[3x6]C[6]C)	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|C<4>,3|O<2>,4|H<1>}	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]C[6]CH)(O[6]O[6]){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[3x6]C[6]C)	106.6170	0.000	1	106.1691	1.259	14	106.5509	0.746	29	106.5246	0.741	30	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:4:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H)	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]C[6]CH)(O[6]O[6])	H(C[6]C[3x6]C[6]C)	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H){2|C<4>,3|H<1>,4|O<2>}	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]C[6]CH)(O[6]O[6]){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[3x6]C[6]C)	106.9030	0.000	1	106.1691	1.259	14	106.5509	0.746	29	106.5246	0.741	30	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:4:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H)	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]C[6]CH)(O[6]O[6])	H(C[6]C[3x6]C[6]C)	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H){2|C<4>,3|O<2>,4|H<1>}	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]C[6]CH)(O[6]O[6]){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[3x6]C[6]C)	106.8340	0.192	3	106.1691	1.259	14	106.5509	0.746	29	106.5246	0.741	30	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:4:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H)	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]C[6]CH)(O[6]O[6])	H(C[6]C[3x6]C[6]C)	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H){2|C<4>,3|O<2>,4|H<1>}	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]C[6]CH)(O[6]O[6]){4|H<1>,5|C<4>}	H(C[6]C[3x6]C[6]C)	105.8161	1.280	9	106.1691	1.259	14	106.5509	0.746	29	106.5246	0.741	30	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:4:1:	4:4:4:2:	4:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H)	C[3x6](C[6,6]N[6]O[6]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(O[6]O[6])	H(C[6]C[3x6]C[6]C)	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H){1|N<3>,2|C<4>,2|O<2>,4|H<1>}	C[3x6](C[6,6]N[6]O[6]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(O[6]O[6]){1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]C)	106.9073	0.205	15	106.9073	0.042	15	106.5509	0.746	29	106.5246	0.741	30	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:4:1:	4:4:4:3:	4:	C[3x6]-4:C[6]-4:S-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]CH)(SC[6a]OO)(H)	C[3x6](C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HS)(N[6]C[6]H)	H(C[6]C[3x6]C[6]S)	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]CH)(SC[6a]OO)(H){1|C<3>,3|C<4>,6|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HS)(N[6]C[6]H){1|O<1>,4|C<4>,6|H<1>}	H(C[6]C[3x6]C[6]S)	106.6420	0.000	3	106.6420	0.000	3	107.0793	0.765	4	107.0793	0.765	4	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:4:1:	4:4:4:3:	4:	C[3x6]-4:C[6]-4:S-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]HH)(SC[6a]OO)(H)	C[3x6](C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HS)(N[6]C[6]H)	H(C[6]C[3x6]C[6]S)	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]HH)(SC[6a]OO)(H){1|C<3>,3|C<4>,6|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HS)(N[6]C[6]H){1|O<1>,3|C<4>,7|H<1>}	H(C[6]C[3x6]C[6]S)	108.3910	0.000	1	108.3910	0.000	1	107.0793	0.765	4	107.0793	0.765	4	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(CH3)(H)	C[3x6](C[3x6]C[6]2O[6])(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3)	H(C[6]C[3x6]C[6]C)	C[6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[3x6]C[6]2O[6])(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[6]C[3x6]C[6]C)	107.0370	0.000	1	107.1045	0.009	2	107.1045	0.009	2	107.1045	0.009	2	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(CH3)(H)	C[3x6](C[3x6]C[6]2O[6])(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3)	H(C[6]C[3x6]C[6]C)	C[6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[6]2O[6])(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]C)	107.1720	0.000	1	107.1045	0.009	2	107.1045	0.009	2	107.1045	0.009	2	108.9309	1.220	785	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:2:1:1:	3:4:2:4:	4:	C[4x6]-4:O[6]-2:H-1:H-1:	C[3x6]-3:C[6,6]-4:O[6,6]-2:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(O[6]O[6])(H)2	C[4x6](C[3x6]C[6,6]C[6])(C[6,6]C[6,6]HH)(O[6,6]O[6,6])(C[6]O[6]HH)	H(C[6]C[4x6]O[6]H)	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(O[6]O[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[4x6](C[3x6]C[6,6]C[6])(C[6,6]C[6,6]HH)(O[6,6]O[6,6])(C[6]O[6]HH){1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[4x6]O[6]H)	109.3765	0.012	2	109.3765	0.000	2	109.3765	0.000	2	109.3765	0.000	2	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:2:1:1:	4:3:3:4:	4:	C[4x6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[3x6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(O[6]C[6])(H)2	C[4x6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(C[6]O[6]HH)	H(C[6]C[4x6]O[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[4x6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(C[6]O[6]HH){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[4x6]O[6]H)	108.7463	0.186	4	108.7463	0.035	4	108.7463	0.035	4	108.7463	0.035	4	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:2:1:1:	4:4:3:4:	4:	C[4x6]-4:O[6]-2:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[4x6]C[6,6]2)(O[6]C[6])(H)2	C[4x6](C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HO)(C[6,6]C[6]2)(C[6]O[6]HH)	H(C[6]C[4x6]O[6]H)	C[6](C[4x6]C[4x6]C[6,6]2)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[4x6](C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HO)(C[6,6]C[6]2)(C[6]O[6]HH){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[4x6]O[6]H)	108.9850	0.035	2	108.8912	0.012	4	108.8912	0.012	4	108.8912	0.012	4	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:2:1:1:	4:4:3:4:	4:	C[4x6]-4:O[6]-2:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[4x6]C[6,6]2)(O[6]C[6])(H)2	C[4x6](C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HO)(C[6,6]C[6]2)(C[6]O[6]HH)	H(C[6]C[4x6]O[6]H)	C[6](C[4x6]C[4x6]C[6,6]2)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[4x6](C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HO)(C[6,6]C[6]2)(C[6]O[6]HH){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[4x6]O[6]H)	108.7975	0.011	2	108.8912	0.012	4	108.8912	0.012	4	108.8912	0.012	4	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:2:1:1:	4:4:4:4:	4:	C[4x6]-4:O[6]-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(O[6]C[6])(H)2	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]O[6]HH)	H(C[6]C[4x6]O[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(O[6]C[6])(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]O[6]HH){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[4x6]O[6]H)	108.9775	0.035	2	108.9775	0.001	2	108.9775	0.001	2	108.9775	0.001	2	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:3:1:1:	4:2:2:4:	4:	C[4x6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:O[6,6]-2:O[6,6]-2:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]O[6,6]2)(C[6]C[6]H)(H)2	C[4x6](C[3x6]C[6,6]C[6]H)(O[6,6]C[4x6])2(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]O[6,6]2)(C[6]C[6]H)(H)2{2|H<1>,4|C<4>}	C[4x6](C[3x6]C[6,6]C[6]H)(O[6,6]C[4x6])2(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[4x6]C[6]H)	109.8280	1.155	2	109.8280	1.335	2	109.8280	1.335	2	109.8280	1.335	2	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:3:1:1:	4:3:3:4:	4:	C[4x6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]H)(H)2	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]H)(H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[4x6]C[6]H)	108.7100	0.004	2	108.7100	0.000	2	108.7100	0.000	2	108.7100	0.000	2	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:3:1:1:	4:3:4:2:	4:	C[4x6]-4:C[6,6a]-3:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[6]-4:N[6,6]-2:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6,6a]C[6,6a]C[6a])(H)2	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]N[5,6,6]O)(C[6]C[6,6a]HH)(N[6,6]C[6,6])	H(C[6]C[6,6a]C[4x6]H)	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6,6a]C[6,6a]C[6a])(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]N[5,6,6]O)(C[6]C[6,6a]HH)(N[6,6]C[6,6]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[4x6]H)	110.7965	4.658	2	110.7965	21.694	2	110.7965	21.694	2	110.7965	21.694	2	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:3:1:1:	4:3:4:3:	4:	C[4x6]-4:C[5a,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[6]-4:N[6,6]-3:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[5a,6]C[5a,6a]C[5a,6])(H)2	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]N[5,6,6]O)(C[6]C[5a,6]HH)(N[6,6]C[6,6]H)	H(C[6]C[5a,6]C[4x6]H)	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[5a,6]C[5a,6a]C[5a,6])(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]N[5,6,6]O)(C[6]C[5a,6]HH)(N[6,6]C[6,6]H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5a,6]C[4x6]H)	109.2265	0.312	8	109.2265	0.097	8	109.2265	0.097	8	109.2265	0.097	8	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:3:1:1:	4:4:2:4:	4:	C[4x6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6]O)(H)2	C[4x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6]O)(H)2{4|H<1>,5|C<4>}	C[4x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(C[6]C[6]HH){1|O<1>,2|C<4>,2|O<2>,5|H<1>}	H(C[6]C[4x6]C[6]H)	109.2830	0.007	2	109.2830	0.000	2	109.2830	0.000	2	109.2830	0.000	2	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:3:1:1:	4:4:3:4:	4:	C[4x6]-4:N[6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(N[6]C[6]S)(H)2	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6]N[6]HH)	H(C[6]C[4x6]N[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(N[6]C[6]S)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6]N[6]HH){1|N<3>,1|S<4>,2|C<4>,6|H<1>}	H(C[6]C[4x6]N[6]H)	109.4655	0.013	2	109.4655	0.000	2	109.4655	0.000	2	109.4655	0.000	2	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:3:1:1:	4:4:4:2:	4:	C[4x6]-4:C[6,6a]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:O[6,6]-2:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6a]C[6,6a]C[6a])(H)2	C[4x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3x6]HH)(C[6]C[6,6a]HH)(O[6,6]C[3x6])	H(C[6]C[6,6a]C[4x6]H)	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6a]C[6,6a]C[6a])(H)2{3|C<3>,3|C<4>,4|H<1>}	C[4x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3x6]HH)(C[6]C[6,6a]HH)(O[6,6]C[3x6]){1|O<1>,2|C<3>,3|C<4>,3|O<2>}	H(C[6]C[6,6a]C[4x6]H)	109.3085	0.008	2	109.3085	0.000	2	109.3085	0.000	2	109.3085	0.000	2	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:3:2:1:	4:4:4:3:	4:	C[4x6]-4:C[6,6a]-3:O-2:H-1:	C[5,6,6]-4:C[3x6]-4:C[6]-4:C[6,6]-3:	C[6]-4:	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[6,6a]C[5,6,6a]C[6a])(OH)(H)	C[4x6](C[5,6,6]C[5,6,6]O[5]H)(C[3x6]C[5,6]O[6,6]H)(C[6]C[6,6a]HO)(C[6,6]C[6,6]O)	H(C[6]C[6,6a]C[4x6]O)	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[6,6a]C[5,6,6a]C[6a])(OH)(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[4x6](C[5,6,6]C[5,6,6]O[5]H)(C[3x6]C[5,6]O[6,6]H)(C[6]C[6,6a]HO)(C[6,6]C[6,6]O){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6a]C[4x6]O)	106.5090	0.000	1	106.5090	0.000	1	106.5090	0.000	1	106.5090	0.000	1	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:3:3:1:	4:4:3:3:	4:	C[4x6]-4:C[5a,6]-3:C[6a]-3:H-1:	C[3x6]-4:C[6]-4:C[6,6]-3:N[6,6]-3:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]O[6a])(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6]C[5a,6]C[6a]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]H)	H(C[6]C[5a,6]C[4x6]C[6a])	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]O[6a])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,2|N<3>,5|C<3>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6]C[5a,6]C[6a]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>,4|C<4>}	H(C[6]C[5a,6]C[4x6]C[6a])	107.8230	0.000	1	107.8230	0.000	1	107.8230	0.000	1	107.8230	0.000	1	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:3:3:1:	4:4:4:4:	4:	C[4x6]-4:N[5a]-3:C[6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]2C[6,6])(N[5a]C[5a]N[5a])(C[6]C[6]H)(H)	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]N[5a]C[6]H)	H(C[6]C[4x6]N[5a]C[6])	C[6](C[4x6]C[3x6]2C[6,6])(N[5a]C[5a]N[5a])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|O<2>,4|C<4>,6|H<1>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]N[5a]C[6]H){1|N<2>,1|O<2>,3|C<3>,4|H<1>,5|C<4>}	H(C[6]C[4x6]N[5a]C[6])	106.9910	0.000	1	106.9910	0.000	1	106.9910	0.000	1	106.9910	0.000	1	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	3:3:3:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[3x6]-3:C[6,6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	C[4x6](C[3x6]C[6,6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[4x6](C[3x6]C[6,6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|Si<4>,2|O<2>,3|H<1>,4|C<4>}	H(C[6]C[4x6]C[6]H)	108.3315	0.011	2	108.4172	0.010	4	108.4172	0.010	4	108.5551	0.029	8	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	3:3:3:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[3x6]-3:C[6,6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	C[4x6](C[3x6]C[6,6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[4x6](C[3x6]C[6,6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|O<1>,3|H<1>,5|C<4>}	H(C[6]C[4x6]C[6]H)	108.5030	0.004	2	108.4172	0.010	4	108.4172	0.010	4	108.5551	0.029	8	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	3:3:3:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[3x6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[6,6,6a]C[3x6]C[6,6])(C[6]C[6,6]HH)(H)2	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[6,6,6a]C[3x6]C[6,6])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[4x6]C[6]H)	108.8080	0.000	1	108.8080	0.000	1	108.8080	0.000	1	108.5551	0.029	8	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	3:3:3:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[3x6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	C[4x6](C[6,6]C[6,6]C[6a])(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[4x6](C[6,6]C[6,6]C[6a])(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[4x6]C[6]H)	108.6547	0.020	3	108.6547	0.000	3	108.6547	0.000	3	108.5551	0.029	8	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	3:3:4:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[3x6]-3:C[6,6]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2	C[4x6](C[3x6]C[6,6]C[6])(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]CH)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[4x6](C[3x6]C[6,6]C[6])(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]CH)(C[6]C[6]HH){1|Br<1>,2|C<4>,2|O<2>,6|H<1>}	H(C[6]C[4x6]C[6]H)	109.1795	0.015	2	109.1795	0.000	2	109.1795	0.000	2	109.1795	0.000	2	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	3:4:3:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[3x6]-3:C[6,6]-4:N[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6]C[6]CH)(H)2	C[4x6](C[3x6]C[6,6]C[6])(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6]C[6]CH)(H)2{3|C<3>,3|C<4>,3|H<1>}	C[4x6](C[3x6]C[6,6]C[6])(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|I<1>,2|O<1>,4|C<4>,6|H<1>}	H(C[6]C[4x6]C[6]H)	108.6420	0.016	2	108.6420	0.000	2	108.6420	0.000	2	108.7818	0.027	5	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	3:4:3:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	N[5a,6,6]-3:C[3x6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]N[5a,6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2	C[4x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]N[5a,6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[4x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[4x6]C[6]H)	108.8750	0.147	3	108.8750	0.022	3	108.8750	0.022	3	108.7818	0.027	5	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	3:4:4:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[4x6]C[6,6,6a]C[3x6]C[6,6])(C[6]C[6]HH)(H)2	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[6,6,6a]C[3x6]C[6,6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HH){2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[4x6]C[6]H)	108.9330	0.000	1	108.9330	0.000	1	108.8705	0.008	2	108.8705	0.008	2	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	3:4:4:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[4x6]C[6,6,6a]C[3x6]C[6,6])(C[6]C[6]HO)(H)2	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[6,6,6a]C[3x6]C[6,6])(C[6]C[6]HO)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HH){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[6]C[4x6]C[6]H)	108.8080	0.000	1	108.8080	0.000	1	108.8705	0.008	2	108.8705	0.008	2	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:2:2:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:O[6,6]-2:O[6,6]-2:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]O[6,6]2)(C[6]S[6]HH)(H)2	C[4x6](C[3x6]C[3x6]C[6]H)(O[6,6]C[3x6])(O[6,6]C[4x6])(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]O[6,6]2)(C[6]S[6]HH)(H)2{1|H<1>,4|C<4>}	C[4x6](C[3x6]C[3x6]C[6]H)(O[6,6]C[3x6])(O[6,6]C[4x6])(C[6]C[6]HH){1|S<2>,2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[4x6]C[6]H)	108.7550	0.000	1	108.7550	0.000	1	108.7550	0.000	1	108.7550	0.000	1	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:3:2:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:N[6,6]-2:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6]C[6]HH)(H)2	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6])(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6])(C[6]C[6]HH){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[4x6]C[6]H)	109.3152	0.214	4	109.3152	0.046	4	109.3152	0.046	4	109.2680	0.033	6	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:3:2:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:O[6,6]-2:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6]HO)(H)2	C[4x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[4x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(C[6]C[6]HH){1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[4x6]C[6]H)	109.1735	0.050	2	109.1735	0.003	2	109.1735	0.003	2	109.2680	0.033	6	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:3:3:4:	4:	C[4x6]-4:C[5,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:N[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[5,6]C[5,6a]C[5,6]H)(H)2	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]H)(C[6]C[5,6]HH)	H(C[6]C[4x6]C[5,6]H)	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[5,6]C[5,6a]C[5,6]H)(H)2{1|O<1>,2|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]H)(C[6]C[5,6]HH){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	H(C[6]C[4x6]C[5,6]H)	108.3770	0.000	2	108.3770	0.000	2	108.3770	0.000	2	108.7787	0.202	23	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:3:3:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[5,6,6]HH)(H)2	C[4x6](C[3x6]C[5,6]C[6,6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[5,6,6]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[4x6](C[3x6]C[5,6]C[6,6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|N<3>,2|C<4>,2|O<2>,6|H<1>}	H(C[6]C[4x6]C[6]H)	109.2200	0.050	6	109.2200	0.003	6	109.1220	0.025	12	108.7787	0.202	23	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:3:3:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]CH)(H)2	C[4x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3x6]O)2(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]CH)(H)2{1|H<1>,2|O<1>,6|C<4>}	C[4x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3x6]O)2(C[6]C[6]HH){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	H(C[6]C[4x6]C[6]H)	109.0922	0.172	4	109.0922	0.030	4	109.1220	0.025	12	108.7787	0.202	23	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:3:3:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C)(C[6,6]O[6,6]O)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[4x6]C[6]H)	108.8875	0.039	2	108.8875	0.002	2	109.1220	0.025	12	108.7787	0.202	23	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:3:3:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[3x6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	C[4x6](C[6,6]C[6,6]C[6a]H)(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[4x6](C[6,6]C[6,6]C[6a]H)(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH){2|C<3>,2|O<2>,4|C<4>,5|H<1>}	H(C[6]C[4x6]C[6]H)	108.1278	0.282	5	108.1278	0.080	5	108.1278	0.080	5	108.7787	0.202	23	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:3:3:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[6,6]2N[3x6])(C[6]C[6]HH)(H)2	C[4x6](C[6,6]C[5,6,6]HH)(N[3x6]C[6,6]C[6])(C[6,6]N[6,6]O)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[6,6]2N[3x6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[4x6](C[6,6]C[5,6,6]HH)(N[3x6]C[6,6]C[6])(C[6,6]N[6,6]O)(C[6]C[6]HH){3|C<4>,8|H<1>}	H(C[6]C[4x6]C[6]H)	108.7635	0.010	4	108.7635	0.000	4	108.7635	0.000	4	108.7787	0.202	23	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:3:4:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(H)2	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]C[3x6]C[6])(C[6,6]O[6,6]HO)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]C[3x6]C[6])(C[6,6]O[6,6]HO)(C[6]C[6]HH){1|O<2>,5|H<1>,6|C<4>}	H(C[6]C[4x6]C[6]H)	108.8690	0.023	2	108.8690	0.001	2	108.8690	0.001	2	109.0670	0.054	4	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:3:4:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[4x6]C[6,6a]C[4x6]C[6,6])(C[6]N[6]HH)(H)2	C[4x6](C[4x6]C[6,6a]C[6,6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6]N[6]2H)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[6,6a]C[4x6]C[6,6])(C[6]N[6]HH)(H)2{1|H<1>,2|N<3>,3|C<3>,3|C<4>}	C[4x6](C[4x6]C[6,6a]C[6,6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6]N[6]2H)(C[6]C[6]HH){2|C<4>,2|N<3>,4|C<3>,7|H<1>}	H(C[6]C[4x6]C[6]H)	109.2650	0.069	2	109.2650	0.005	2	109.2650	0.005	2	109.0670	0.054	4	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:2:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[3,3x6]-4:C[6,6]-4:O[6,6]-2:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3,3x6]C[6,6]O[6,6])(C[6]C[6,6]HH)(H)2	C[4x6](C[3,3x6]C[3,6,6]C[3x6]C[3])(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3,3x6]C[6,6]O[6,6])(C[6]C[6,6]HH)(H)2{3|H<1>,6|C<4>}	C[4x6](C[3,3x6]C[3,6,6]C[3x6]C[3])(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(C[6]C[6]HH){1|Br<1>,1|C<3>,1|N<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[4x6]C[6]H)	109.5515	0.018	2	109.5515	0.000	2	109.5515	0.000	2	109.5674	1.039	28	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:2:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6,6]HH)(H)2	C[4x6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[4x6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(C[6]C[6]HH){2|O<2>,4|C<4>,5|H<1>}	H(C[6]C[4x6]C[6]H)	109.4480	0.149	6	109.3522	0.041	11	109.3002	0.040	24	109.5674	1.039	28	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:2:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6,6]HH)(H)2	C[4x6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6,6]HH)(H)2{3|H<1>,6|C<4>}	C[4x6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[4x6]C[6]H)	109.1450	0.062	4	109.3522	0.041	11	109.3002	0.040	24	109.5674	1.039	28	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:2:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6,6]HH)(H)2	C[4x6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6,6]HH)(H)2{3|H<1>,6|C<4>}	C[4x6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(C[6]C[6]HH){2|O<2>,4|C<4>,5|H<1>}	H(C[6]C[4x6]C[6]H)	109.6060	0.000	1	109.3522	0.041	11	109.3002	0.040	24	109.5674	1.039	28	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:2:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6]HH)(H)2	C[4x6](C[3x6]O[6,6]C[6]O)(C[6,6]C[6,6]HH)(O[6,6]C[3x6])(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[4x6](C[3x6]O[6,6]C[6]O)(C[6,6]C[6,6]HH)(O[6,6]C[3x6])(C[6]C[6]HH){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[4x6]C[6]H)	109.2562	0.192	13	109.2562	0.037	13	109.3002	0.040	24	109.5674	1.039	28	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:2:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[5x6]-4:C[6,6]-4:O[6,6]-2:C[6]-4:	C[6]-4:	C[6](C[4x6]C[5x6]C[6,6]O[6,6])(C[6]C[6]HH)(H)2	C[4x6](C[5x6]C[4x6]C[6,6]C[6])(C[6,6]C[6]2H)(O[6,6]C[4x6])(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[5x6]C[6,6]O[6,6])(C[6]C[6]HH)(H)2{3|H<1>,6|C<4>}	C[4x6](C[5x6]C[4x6]C[6,6]C[6])(C[6,6]C[6]2H)(O[6,6]C[4x6])(C[6]C[6]HH){10|H<1>,2|O<2>,5|C<4>}	H(C[6]C[4x6]C[6]H)	112.7895	2.159	2	112.7895	4.660	2	112.7895	4.660	2	109.5674	1.039	28	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:3:4:	4:	C[4x6]-4:C[5,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:N[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[5,6]C[5,6a]C[5,6]O)(H)2	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]N[5,6,6]HH)(N[6,6]C[6,6]H)(C[6]C[5,6]HH)	H(C[6]C[4x6]C[5,6]H)	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[5,6]C[5,6a]C[5,6]O)(H)2{1|N<2>,1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]N[5,6,6]HH)(N[6,6]C[6,6]H)(C[6]C[5,6]HH){1|O<1>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[4x6]C[5,6]H)	109.1025	0.028	2	109.1025	0.001	2	109.1025	0.001	2	108.8678	0.521	81	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:3:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[3x6]HH)(H)2	C[4x6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[3x6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[4x6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[4x6]C[6]H)	108.8830	0.000	1	108.8830	0.000	1	108.8305	0.023	25	108.8678	0.521	81	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:3:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|C<3>,4|H<1>,5|C<4>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6]C[6]HH){5|C<4>,6|H<1>}	H(C[6]C[4x6]C[6]H)	108.6938	0.113	6	108.7822	0.024	16	108.8305	0.023	25	108.8678	0.521	81	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:3:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|C<3>,4|H<1>,5|C<4>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6]C[6]HH){5|H<1>,6|C<4>}	H(C[6]C[4x6]C[6]H)	108.6550	0.000	1	108.7822	0.024	16	108.8305	0.023	25	108.8678	0.521	81	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:3:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{2|C<3>,4|C<4>,4|H<1>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6]C[6]HH){1|C<3>,5|C<4>,5|H<1>}	H(C[6]C[4x6]C[6]H)	108.8353	0.138	6	108.7822	0.024	16	108.8305	0.023	25	108.8678	0.521	81	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:3:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{2|C<3>,4|C<4>,4|H<1>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6]C[6]HH){5|C<4>,6|H<1>}	H(C[6]C[4x6]C[6]H)	108.8950	0.209	3	108.7822	0.024	16	108.8305	0.023	25	108.8678	0.521	81	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:3:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|C<3>,4|C<4>,6|H<1>}	H(C[6]C[4x6]C[6]H)	108.9500	0.000	1	108.9500	0.000	1	108.8305	0.023	25	108.8678	0.521	81	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:3:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2	C[4x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[4x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[4x6]C[6]H)	109.1700	0.000	1	108.9977	0.023	3	108.8305	0.023	25	108.8678	0.521	81	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:3:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2	C[4x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[4x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(C[6]C[6]HH){4|C<4>,6|H<1>}	H(C[6]C[4x6]C[6]H)	108.9115	0.043	2	108.9977	0.023	3	108.8305	0.023	25	108.8678	0.521	81	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:3:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2	C[4x6](C[3x6]C[5,6]C[6,6]C)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[4x6](C[3x6]C[5,6]C[6,6]C)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[4x6]C[6]H)	108.8485	0.009	2	108.8485	0.000	2	108.8305	0.023	25	108.8678	0.521	81	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:3:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|C<4>,2|C<3>,8|H<1>}	H(C[6]C[4x6]C[6]H)	108.8625	0.019	2	108.8625	0.000	2	108.8305	0.023	25	108.8678	0.521	81	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:3:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:N[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6]C[6]CH)(H)2	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6]C[6]CH)(H)2{2|C<3>,4|C<4>,4|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[6]C[6]HH){2|O<1>,5|C<4>,8|H<1>}	H(C[6]C[4x6]C[6]H)	108.7067	0.047	3	108.7067	0.002	3	108.6083	0.012	7	108.8678	0.521	81	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:3:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:N[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6]C[6]CH)(H)2	C[4x6](C[3x6]C[6,6]C[6]O)(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[4x6](C[3x6]C[6,6]C[6]O)(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[6]C[6]HH){10|H<1>,1|O<1>,5|C<4>}	H(C[6]C[4x6]C[6]H)	108.5900	0.023	2	108.5900	0.001	2	108.6083	0.012	7	108.8678	0.521	81	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:3:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:N[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6]C[6]CH)(H)2	C[4x6](C[3x6]C[6,6]O[6]C)(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[4x6](C[3x6]C[6,6]O[6]C)(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,2|O<1>,4|C<4>,6|H<1>}	H(C[6]C[4x6]C[6]H)	108.4790	0.040	2	108.4790	0.002	2	108.6083	0.012	7	108.8678	0.521	81	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:3:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[5,6]HH)(H)2	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[4x6]C[6]H)	109.5100	0.098	4	109.5100	0.010	4	108.9723	0.427	30	108.8678	0.521	81	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:3:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6,6a]HH)(H)2	C[4x6](C[5,3x6]C[5,5,6,6]C[5,6,6a]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6,6a]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[4x6](C[5,3x6]C[5,5,6,6]C[5,6,6a]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[4x6]C[6]H)	108.4995	0.039	2	108.4995	0.002	2	108.9723	0.427	30	108.8678	0.521	81	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:3:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6,6a]HH)(H)2	C[4x6](C[5,3x6]C[5,6,6a]C[5,6,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6,6a]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[4x6](C[5,3x6]C[5,6,6a]C[5,6,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[4x6]C[6]H)	108.4100	0.346	6	108.5323	0.204	7	108.9723	0.427	30	108.8678	0.521	81	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:3:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6,6a]HH)(H)2	C[4x6](C[5,3x6]C[5,6,6a]C[5,6,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6,6a]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[4x6](C[5,3x6]C[5,6,6a]C[5,6,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[4x6]C[6]H)	109.2660	0.000	1	108.5323	0.204	7	108.9723	0.427	30	108.8678	0.521	81	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:3:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6,6a]HH)(H)2	C[4x6](C[5,3x6]C[5,6,6a]C[5,6,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[4x6](C[5,3x6]C[5,6,6a]C[5,6,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[4x6]C[6]H)	108.6855	0.039	2	108.6855	0.002	2	108.9723	0.427	30	108.8678	0.521	81	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:3:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2	C[4x6](C[5,3x6]C[5,5,6,6]C[5,6]O)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[4x6](C[5,3x6]C[5,5,6,6]C[5,6]O)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[4x6]C[6]H)	108.6410	0.000	1	108.6410	0.000	1	108.9723	0.427	30	108.8678	0.521	81	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:3:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[4x6]C[6]H)	109.6842	0.065	5	109.5129	0.088	7	108.9723	0.427	30	108.8678	0.521	81	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:3:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[4x6]C[6]H)	109.0845	0.019	2	109.5129	0.088	7	108.9723	0.427	30	108.8678	0.521	81	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:3:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[4x6]C[6]H)	108.9765	0.039	2	108.9564	0.033	5	108.9723	0.427	30	108.8678	0.521	81	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:3:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[4x6]C[6]H)	108.7965	0.047	2	108.9564	0.033	5	108.9723	0.427	30	108.8678	0.521	81	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:3:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[4x6]C[6]H)	109.2360	0.000	1	108.9564	0.033	5	108.9723	0.427	30	108.8678	0.521	81	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:3:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2	C[4x6](C[5,3x6]C[5,6,6]C[5]C[6])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,2|C<2>,2|H<1>,5|C<4>}	C[4x6](C[5,3x6]C[5,6,6]C[5]C[6])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(C[6]C[6]HH){2|C<2>,2|C<3>,3|C<4>,7|H<1>}	H(C[6]C[4x6]C[6]H)	108.5095	2.183	2	108.5095	4.765	2	108.9723	0.427	30	108.8678	0.521	81	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:3:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[6]C[6,6]HH)(H)2	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[6,6]2H)(C[6,6]C[6,6]H)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[6]C[6,6]HH)(H)2{2|C<3>,4|C<4>,4|H<1>}	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[6,6]2H)(C[6,6]C[6,6]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,5|C<4>,5|H<1>}	H(C[6]C[4x6]C[6]H)	108.8477	0.034	3	108.9409	0.010	7	108.8564	1.965	15	108.8678	0.521	81	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:3:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[6]C[6,6]HH)(H)2	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[6,6]2H)(C[6,6]C[6,6]H)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[6]C[6,6]HH)(H)2{2|C<3>,4|C<4>,4|H<1>}	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[6,6]2H)(C[6,6]C[6,6]H)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[4x6]C[6]H)	109.0108	0.064	4	108.9409	0.010	7	108.8564	1.965	15	108.8678	0.521	81	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:3:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2	C[4x6](C[5,6,6]C[5,6,6]O[5]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[4x6](C[5,6,6]C[5,6,6]O[5]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6]C[6]HH){1|O<2>,3|C<4>,8|H<1>}	H(C[6]C[4x6]C[6]H)	108.7825	1.977	8	108.7825	3.908	8	108.8564	1.965	15	108.8678	0.521	81	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:3:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[5,6,6]2C[3x6])(C[6]C[6]HH)(H)2	C[4x6](C[5,6,6]C[5,6,6]C[5]H)2(C[3x6]C[6,6]C[6])(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[5,6,6]2C[3x6])(C[6]C[6]HH)(H)2{3|C<3>,3|C<4>,4|H<1>}	C[4x6](C[5,6,6]C[5,6,6]C[5]H)2(C[3x6]C[6,6]C[6])(C[6]C[6]HH){2|C<3>,2|C<4>,2|N<3>,2|O<1>,7|H<1>}	H(C[6]C[4x6]C[6]H)	108.5255	0.025	2	108.5255	0.001	2	108.5255	0.001	2	108.8678	0.521	81	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[5,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[5,6]C[5,6]C[5]H)(H)2	C[4x6](C[3x6]C[5,3x6]C[5,6]C)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)(C[6]C[5,6]HH)	H(C[6]C[4x6]C[5,6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[5,6]C[5,6]C[5]H)(H)2{1|O<1>,2|O<2>,4|C<4>,6|H<1>}	C[4x6](C[3x6]C[5,3x6]C[5,6]C)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)(C[6]C[5,6]HH){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[4x6]C[5,6]H)	108.6835	0.013	2	108.6835	0.000	2	108.6835	0.000	2	108.9188	0.169	37	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[5,6]C[5,6]C[5]H)(H)2	C[4x6](C[5,3x6]C[5,5,6,6]N[5,6]H)(C[6,6]C[6,6]HH)2(C[6]C[5,6]HH)	H(C[6]C[4x6]C[5,6]H)	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,2|C<3>,3|C<4>,7|H<1>}	C[4x6](C[5,3x6]C[5,5,6,6]N[5,6]H)(C[6,6]C[6,6]HH)2(C[6]C[5,6]HH){3|C<3>,4|C<4>,4|H<1>}	H(C[6]C[4x6]C[5,6]H)	108.6205	0.015	2	108.6205	0.000	2	108.6205	0.000	2	108.9188	0.169	37	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[6,6]C[6]C)(H)2	C[4x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3x6]HH)2(C[6]C[6,6]HH)	H(C[6]C[4x6]C[6,6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[6,6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<2>,4|C<4>,7|H<1>}	C[4x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3x6]HH)2(C[6]C[6,6]HH){2|C<3>,4|H<1>,5|C<4>}	H(C[6]C[4x6]C[6,6]H)	108.6210	0.017	2	108.6210	0.000	2	108.6210	0.000	2	108.9188	0.169	37	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[3x6]HH)(H)2	C[4x6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[3x6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[4x6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[6]C[6]HH){1|C<3>,4|C<4>,6|H<1>}	H(C[6]C[4x6]C[6]H)	108.9280	0.006	2	108.9280	0.000	2	108.9240	0.192	25	108.9188	0.169	37	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>,6|H<1>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH){1|C<3>,4|C<4>,6|H<1>}	H(C[6]C[4x6]C[6]H)	109.0340	0.000	1	108.7096	0.064	12	108.9240	0.192	25	108.9188	0.169	37	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>,6|H<1>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[4x6]C[6]H)	108.6413	0.135	3	108.7096	0.064	12	108.9240	0.192	25	108.9188	0.169	37	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|O<2>,5|C<4>,5|H<1>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH){1|O<2>,5|C<4>,6|H<1>}	H(C[6]C[4x6]C[6]H)	108.4357	0.049	4	108.7096	0.064	12	108.9240	0.192	25	108.9188	0.169	37	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,6|H<1>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[4x6]C[6]H)	108.9650	0.023	2	108.7096	0.064	12	108.9240	0.192	25	108.9188	0.169	37	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{5|C<4>,6|H<1>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH){1|O<2>,5|C<4>,6|H<1>}	H(C[6]C[4x6]C[6]H)	108.9420	0.006	2	108.7096	0.064	12	108.9240	0.192	25	108.9188	0.169	37	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	C[4x6](C[3x6]C[6,6]2O)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{2|O<2>,4|H<1>,5|C<4>}	C[4x6](C[3x6]C[6,6]2O)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[6]C[6]HH){2|O<2>,4|C<4>,6|H<1>}	H(C[6]C[4x6]C[6]H)	108.8748	0.035	4	108.8748	0.001	4	108.9240	0.192	25	108.9188	0.169	37	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	C[4x6](C[3x6]C[6,6]2O)(C[6,6]C[6,6]HO)2(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{3|H<1>,3|O<2>,5|C<4>}	C[4x6](C[3x6]C[6,6]2O)(C[6,6]C[6,6]HO)2(C[6]C[6]HH){2|O<2>,4|C<4>,6|H<1>}	H(C[6]C[4x6]C[6]H)	109.0130	0.055	2	109.0130	0.003	2	108.9240	0.192	25	108.9188	0.169	37	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,6|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|O<1>,2|C<4>,8|H<1>}	H(C[6]C[4x6]C[6]H)	108.9140	0.000	1	108.9140	0.000	1	108.9240	0.192	25	108.9188	0.169	37	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[6]C[6]HH){1|C<3>,2|C<4>,8|H<1>}	H(C[6]C[4x6]C[6]H)	109.0020	0.008	2	109.0020	0.000	2	108.9240	0.192	25	108.9188	0.169	37	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH){1|C<4>,2|C<3>,8|H<1>}	H(C[6]C[4x6]C[6]H)	110.1435	0.579	2	110.1435	0.335	2	108.9240	0.192	25	108.9188	0.169	37	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2	C[4x6](C[5,3x6]C[3x5,6,6]N[5,6]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,7|H<1>}	C[4x6](C[5,3x6]C[3x5,6,6]N[5,6]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[4x6]C[6]H)	108.8065	0.237	2	108.8065	0.056	2	109.1738	0.124	6	108.9188	0.169	37	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2	C[4x6](C[5,3x6]C[5,5,3x6]N[5,6]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,7|H<1>}	C[4x6](C[5,3x6]C[5,5,3x6]N[5,6]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	H(C[6]C[4x6]C[6]H)	109.2610	0.021	2	109.2610	0.000	2	109.1738	0.124	6	108.9188	0.169	37	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2	C[4x6](C[5,3x6]C[5,5,6,6]N[5,6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,7|H<1>}	C[4x6](C[5,3x6]C[5,5,6,6]N[5,6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH){2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[4x6]C[6]H)	109.4540	0.351	2	109.4540	0.123	2	109.1738	0.124	6	108.9188	0.169	37	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:2:1:	4:3:2:4:	4:	C[4x6]-4:C[6]-4:O-2:H-1:	C[4x6]-4:C[6,6]-3:O[6,6]-2:C[6]-4:	C[6]-4:	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,6,6]HH)(OH)(H)	C[4x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[5,6,6]C[6])(O[6,6]C[3x6])(C[6]C[6]HO)	H(C[6]C[4x6]C[6]O)	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,6,6]HH)(OH)(H){1|C<3>,7|C<4>}	C[4x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[5,6,6]C[6])(O[6,6]C[3x6])(C[6]C[6]HO){2|O<2>,5|C<4>,6|H<1>}	H(C[6]C[4x6]C[6]O)	107.2470	0.000	1	107.2470	0.000	1	106.7985	0.402	2	106.7985	0.402	2	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:2:1:	4:3:2:4:	4:	C[4x6]-4:C[6]-4:O-2:H-1:	C[4x6]-4:C[6,6]-3:O[6,6]-2:C[6]-4:	C[6]-4:	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,6]HH)(OH)(H)	C[4x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[5,6]C[6])(O[6,6]C[3x6])(C[6]C[6]HO)	H(C[6]C[4x6]C[6]O)	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,6]HH)(OH)(H){1|C<3>,7|C<4>}	C[4x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[5,6]C[6])(O[6,6]C[3x6])(C[6]C[6]HO){2|O<2>,5|C<4>,6|H<1>}	H(C[6]C[4x6]C[6]O)	106.3500	0.000	1	106.3500	0.000	1	106.7985	0.402	2	106.7985	0.402	2	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:2:1:	4:4:3:4:	4:	C[4x6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[5,6]C[5,6,6a]C[5]H)(OH)(H)	C[4x6](C[5,6,6]C[5,6,6]O[5]H)(C[3x6]C[6,6a]O[6,6]H)(C[6,6]C[6,6]O)(C[6]C[5,6]HO)	H(C[6]C[4x6]C[5,6]O)	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[5,6]C[5,6,6a]C[5]H)(OH)(H){1|O<1>,2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[4x6](C[5,6,6]C[5,6,6]O[5]H)(C[3x6]C[6,6a]O[6,6]H)(C[6,6]C[6,6]O)(C[6]C[5,6]HO){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[4x6]C[5,6]O)	109.6100	0.000	1	109.6100	0.000	1	109.6100	0.000	1	109.6100	0.000	1	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:2:1:	4:4:4:4:	4:	C[4x6]-4:C[6]-4:C-2:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(CN)(H)	C[4x6](C[3x6]C[4x6]C[6]O)(C[6,6]C[4x6]HO)(C[6,6]C[6,6]HH)(C[6]C[6]CH)	H(C[6]C[4x6]C[6]C)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(CN)(H){2|O<2>,4|C<4>,5|H<1>}	C[4x6](C[3x6]C[4x6]C[6]O)(C[6,6]C[4x6]HO)(C[6,6]C[6,6]HH)(C[6]C[6]CH){4|C<4>,8|H<1>}	H(C[6]C[4x6]C[6]C)	108.0340	0.000	1	108.0340	0.000	1	108.0340	0.000	1	108.0247	0.935	15	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:2:1:	4:4:4:4:	4:	C[4x6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OC)(H)	C[4x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO)	H(C[6]C[4x6]C[6]O)	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OC)(H){1|O<2>,4|C<4>,6|H<1>}	C[4x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO){1|O<2>,6|C<4>,6|H<1>}	H(C[6]C[4x6]C[6]O)	109.3480	0.000	1	109.3480	0.000	1	108.0240	1.007	14	108.0247	0.935	15	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:2:1:	4:4:4:4:	4:	C[4x6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OC)(H)	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO)	H(C[6]C[4x6]C[6]O)	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO){1|O<1>,1|O<2>,3|H<1>,7|C<4>}	H(C[6]C[4x6]C[6]O)	108.7750	0.000	1	109.0865	0.194	2	108.0240	1.007	14	108.0247	0.935	15	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:2:1:	4:4:4:4:	4:	C[4x6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OC)(H)	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO)	H(C[6]C[4x6]C[6]O)	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OC)(H){1|O<2>,4|C<4>,6|H<1>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO){1|O<2>,5|H<1>,7|C<4>}	H(C[6]C[4x6]C[6]O)	109.3980	0.000	1	109.0865	0.194	2	108.0240	1.007	14	108.0247	0.935	15	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:2:1:	4:4:4:4:	4:	C[4x6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OH)(H)	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[5,6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO)	H(C[6]C[4x6]C[6]O)	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OH)(H){1|O<2>,4|C<4>,6|H<1>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[5,6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6]C[4x6]C[6]O)	107.9573	0.848	4	107.9573	0.720	4	108.0240	1.007	14	108.0247	0.935	15	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:2:1:	4:4:4:4:	4:	C[4x6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OH)(H)	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO)	H(C[6]C[4x6]C[6]O)	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OH)(H){1|O<2>,4|C<4>,6|H<1>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6]C[4x6]C[6]O)	106.4560	0.000	1	107.7122	0.881	6	108.0240	1.007	14	108.0247	0.935	15	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:2:1:	4:4:4:4:	4:	C[4x6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OH)(H)	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO)	H(C[6]C[4x6]C[6]O)	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OH)(H){1|O<2>,4|C<4>,6|H<1>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO){1|C<3>,2|O<2>,4|H<1>,6|C<4>}	H(C[6]C[4x6]C[6]O)	106.9910	0.000	1	107.7122	0.881	6	108.0240	1.007	14	108.0247	0.935	15	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:2:1:	4:4:4:4:	4:	C[4x6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OH)(H)	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO)	H(C[6]C[4x6]C[6]O)	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OH)(H){1|O<2>,4|C<4>,6|H<1>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO){1|O<2>,5|H<1>,7|C<4>}	H(C[6]C[4x6]C[6]O)	108.7275	0.470	2	107.7122	0.881	6	108.0240	1.007	14	108.0247	0.935	15	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:2:1:	4:4:4:4:	4:	C[4x6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OH)(H)	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO)	H(C[6]C[4x6]C[6]O)	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OH)(H){1|O<2>,4|C<4>,6|H<1>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO){2|O<2>,4|H<1>,7|C<4>}	H(C[6]C[4x6]C[6]O)	107.6855	0.145	2	107.7122	0.881	6	108.0240	1.007	14	108.0247	0.935	15	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:2:1:	4:4:4:4:	4:	C[4x6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OH)(H)	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HO)(C[6]C[6]HO)	H(C[6]C[4x6]C[6]O)	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OH)(H){2|O<2>,4|C<4>,5|H<1>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HO)(C[6]C[6]HO){1|C<3>,6|C<4>,6|H<1>}	H(C[6]C[4x6]C[6]O)	106.7130	0.000	1	106.7130	0.000	1	108.0240	1.007	14	108.0247	0.935	15	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:3:1:	3:4:3:4:	4:	C[4x6]-4:C[6]-4:C-3:H-1:	C[3x6]-3:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(CHO)(H)	C[4x6](C[3x6]C[4x6]C[6])(C[6,6]C[6,6]HH)(C[6,6]C[4x6]O)(C[6]C[6]CH)	H(C[6]C[4x6]C[6]C)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(CHO)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[4x6](C[3x6]C[4x6]C[6])(C[6,6]C[6,6]HH)(C[6,6]C[4x6]O)(C[6]C[6]CH){4|C<4>,7|H<1>}	H(C[6]C[4x6]C[6]C)	106.9510	0.000	1	106.9510	0.000	1	106.9510	0.000	1	106.8683	0.058	3	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:3:1:	3:4:3:4:	4:	C[4x6]-4:C[6]-4:C-3:H-1:	C[6,6]-3:C[3x6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(CHO)(H)	C[4x6](C[6,6]C[3,6,6]O)(C[3x6]C[6,6]2H)(C[6,6]C[6,6]H)(C[6]C[6]CH)	H(C[6]C[4x6]C[6]C)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(CHO)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[4x6](C[6,6]C[3,6,6]O)(C[3x6]C[6,6]2H)(C[6,6]C[6,6]H)(C[6]C[6]CH){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[4x6]C[6]C)	106.8270	0.324	2	106.8270	0.105	2	106.8270	0.105	2	106.8683	0.058	3	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:3:1:	4:3:2:4:	4:	C[4x6]-4:C[6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-3:O[6,6]-2:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6]CC)(COO)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(C[6]C[6]CH)	H(C[6]C[4x6]C[6]C)	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6]CC)(COO)(H){2|C<4>,3|C<3>,3|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(C[6]C[6]CH){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[4x6]C[6]C)	105.3220	0.000	1	105.3220	0.000	1	105.3220	0.000	1	105.3220	0.000	1	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:4:1:	4:3:4:3:	4:	C[4x6]-4:C[6]-4:C-4:H-1:	C[4x6]-4:C[3x6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[4x6]C[3x6]C[4x6]C[6])(C[6]C[6,6]HH)(CH3)(H)	C[4x6](C[4x6]C[4x6]O[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]CH)(C[6]O[6]O)	H(C[6]C[4x6]C[6]C)	C[6](C[4x6]C[3x6]C[4x6]C[6])(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[4x6](C[4x6]C[4x6]O[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]CH)(C[6]O[6]O){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[4x6]C[6]C)	106.8580	0.000	1	106.8580	0.000	1	106.8580	0.000	1	106.8580	0.000	1	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:4:1:	4:4:3:4:	4:	C[4x6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]O[6]HH)(CH3)(H)	C[4x6](C[3x6]C[6,6]Si[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6]C[6]CH)	H(C[6]C[4x6]C[6]C)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]O[6]HH)(CH3)(H){1|Si<4>,1|C<3>,2|C<4>,4|H<1>}	C[4x6](C[3x6]C[6,6]Si[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6]C[6]CH){1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[4x6]C[6]C)	107.1590	0.000	1	107.1590	0.000	1	107.1983	0.001	3	107.1983	0.001	3	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:4:1:	4:4:3:4:	4:	C[4x6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]O[6]HH)(CH3)(H)	C[4x6](C[3x6]C[6,6]Si[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[6]C[6]CH)	H(C[6]C[4x6]C[6]C)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]O[6]HH)(CH3)(H){1|Si<4>,1|O<1>,3|C<4>,3|H<1>}	C[4x6](C[3x6]C[6,6]Si[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[6]C[6]CH){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[4x6]C[6]C)	107.2180	0.000	2	107.2180	0.000	2	107.1983	0.001	3	107.1983	0.001	3	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[4x6]	H	4:4:4:1:	4:4:4:3:	4:	C[4x6]-4:C[6]-4:C-4:H-1:	C[4x6]-4:C[3x6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[4x6]C[3x6]C[4x6]C[6])(C[6]C[6,6]HH)(CH3)(H)	C[4x6](C[4x6]C[4x6]O[6,6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)	H(C[6]C[4x6]C[6]C)	C[6](C[4x6]C[3x6]C[4x6]C[6])(C[6]C[6,6]HH)(CH3)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[4x6](C[4x6]C[4x6]O[6,6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]CH)(C[6]O[6]O){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[4x6]C[6]C)	107.4800	0.000	1	107.4800	0.000	1	107.4800	0.000	1	107.4800	0.000	1	108.8408	0.836	259	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[5x6]	H	4:4:1:1:	4:4:4:4:	4:	C[5x6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[3x6]-4:C[6]-4:	C[6]-4:	C[6](C[5x6]C[3x6]C[4x6]2)(C[6]C[6]HH)(H)2	C[5x6](C[4x6]C[5,5x6]C[6]H)(C[4x6]O[3x6]O[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[6]C[5x6]C[6]H)	C[6](C[5x6]C[3x6]C[4x6]2)(C[6]C[6]HH)(H)2{2|O<2>,4|C<4>,5|H<1>}	C[5x6](C[4x6]C[5,5x6]C[6]H)(C[4x6]O[3x6]O[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<3>,2|O<2>,4|H<1>,6|C<4>}	H(C[6]C[5x6]C[6]H)	109.1575	0.006	2	109.1575	0.000	2	109.1575	0.000	2	106.7149	21.037	4	106.2395	16.907	5	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[5x6]	H	4:4:1:1:	4:4:4:4:	4:	C[5x6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[5x6]C[4x6]2C[6,6])(C[6]C[6]HH)(H)2	C[5x6](C[4x6]C[6,6]O[6,6]C[6])(C[4x6]C[6,6]O[6,6]O)(C[6,6]C[3x6]HH)(C[6]C[6]HH)	H(C[6]C[5x6]C[6]H)	C[6](C[5x6]C[4x6]2C[6,6])(C[6]C[6]HH)(H)2{3|H<1>,3|O<2>,4|C<4>}	C[5x6](C[4x6]C[6,6]O[6,6]C[6])(C[4x6]C[6,6]O[6,6]O)(C[6,6]C[3x6]HH)(C[6]C[6]HH){1|C<3>,5|C<4>,7|H<1>}	H(C[6]C[5x6]C[6]H)	104.2723	6.265	2	104.2723	39.244	2	104.2723	39.244	2	106.7149	21.037	4	106.2395	16.907	5	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[5x6]	H	4:4:2:1:	4:4:4:4:	4:	C[5x6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[3x6]-4:C[4x6]-4:C[6]-4:	C[6]-4:	C[6](C[5x6]C[5,6,6]C[3x6]C[4x6])(C[6]C[6]HH)(OC)(H)	C[5x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[6,6]N[6]H)(C[4x6]C[6,6]2H)(C[6]C[6]HO)	H(C[6]C[5x6]C[6]O)	C[6](C[5x6]C[5,6,6]C[3x6]C[4x6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,4|C<4>,5|H<1>}	C[5x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[6,6]N[6]H)(C[4x6]C[6,6]2H)(C[6]C[6]HO){1|O<2>,2|C<3>,6|C<4>,6|H<1>}	H(C[6]C[5x6]C[6]O)	104.3380	0.000	1	104.3380	0.000	1	104.3380	0.000	1	104.3380	0.000	1	106.2395	16.907	5	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:1:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]C)(H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.6565	0.049	6	109.6565	0.002	6	109.6565	0.002	6	109.1807	0.630	14	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:1:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6a]N[6,6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(N[6,6]C[6]2)(H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6a]N[6,6]H)(H)2{1|N<3>,2|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(N[6,6]C[6]2)(H){1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.7765	0.012	2	109.7765	0.000	2	109.7765	0.000	2	109.1807	0.630	14	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:1:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2	C[6,6](N[6,6]C[6,6]C[4])(C[6]C[5a,6]HH)(C[6]N[6]O)(H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2{1|O<1>,2|C<3>,2|C<4>,2|N<3>}	C[6,6](N[6,6]C[6,6]C[4])(C[6]C[5a,6]HH)(C[6]N[6]O)(H){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5a,6]C[6,6]H)	108.3625	1.155	2	108.3625	1.333	2	108.3625	1.333	2	109.1807	0.630	14	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:Br-1:H-1:	N[6]-3:C[6]-4:N[6,6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]N[6]H)(Br)(H)	C[6,6](N[6]C[6,6]C[6a])(C[6]C[6,6a]BrH)(N[6,6]C[6,6]C)(H)	H(C[6]C[6,6a]C[6,6]Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]N[6]H)(Br)(H){1|H<1>,2|C<4>,4|C<3>}	C[6,6](N[6]C[6,6]C[6a])(C[6]C[6,6a]BrH)(N[6,6]C[6,6]C)(H){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6,6]Br)	108.9970	0.000	1	108.9970	0.000	1	108.9970	0.000	1	109.1807	0.630	14	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[3x6]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6](C[3x6]C[5,3x6]C[6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6,6](C[3x6]C[5,3x6]C[6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.4200	1.322	2	108.4200	1.748	2	108.4387	0.875	3	109.1807	0.630	14	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[3x6]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6](C[3x6]C[3x6]C[6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6,6](C[3x6]C[3x6]C[6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	108.4760	0.000	1	108.4760	0.000	1	108.4387	0.875	3	109.1807	0.630	14	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]N[6]O)(CCHH)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]N[6]O)(CCHH){1|C<4>,5|C<3>}	H(C[6]C[6,6a]C[6,6]H)	108.9948	0.198	5	108.9948	0.039	5	109.0103	0.027	7	109.0103	0.027	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]N[6]O)(CH3)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]N[6]O)(CH3){1|C<4>,5|C<3>}	H(C[6]C[6,6a]C[6,6]H)	109.0490	0.006	2	109.0490	0.000	2	109.0103	0.027	7	109.0103	0.027	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:1:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[5a,6]C[6,6]H)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[5a,6]C[6,6]H)(H)2{1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[5a,6]C[6,6]H)	109.8095	0.189	6	109.8095	0.036	6	109.8095	0.036	6	109.7977	0.029	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:1:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]CH)(H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]CH)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.7625	0.135	2	109.7625	0.018	2	109.7625	0.018	2	109.7977	0.029	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6,6a]HH)(C[6]O[6]HH)(CCH)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2{1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6,6a]HH)(C[6]O[6]HH)(CCH){4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	109.1930	0.000	1	109.1930	0.000	1	109.1930	0.000	1	108.8910	0.215	4	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:3:	4:	N[6]-3:C[6,6]-4:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6,6]C[6]3)(H)2	C[6,6](C[6]C[6,6a]C)(C[6]C[6]HH)(C[6]N[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6,6]C[6]3)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6,6a]C)(C[6]C[6]HH)(C[6]N[6]HH)(C[6]C[6]H){1|O<2>,1|S<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]N[6]H)	108.7903	0.511	3	108.7903	0.261	3	108.7903	0.261	3	108.8910	0.215	4	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:2:2:4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:O[6,6]-2:O[6]-2:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]O[6]C)(H)2	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(O[6]C[6,6a])(CCHH)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]O[6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(O[6]C[6,6a])(CCHH){1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	108.7645	1.200	2	108.7645	1.440	2	108.7645	1.440	2	108.7645	1.440	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:2:3:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:O[6,6]-2:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)2	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[6]N[6]N)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)2{1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[6]N[6]N)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6,6]H)	109.7257	0.127	6	109.8011	0.022	10	109.8011	0.022	10	109.8011	0.022	10	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:2:3:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:O[6,6]-2:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)2	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[6]N[6]N)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)2{1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[6]N[6]N)(H){1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6,6]H)	109.9142	0.109	4	109.8011	0.022	10	109.8011	0.022	10	109.8011	0.022	10	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:2:4:3:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:O[6]-2:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]2O[6])(H)2	C[6,6](C[6]C[5a,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]2O[6])(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6]C[5a,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H){1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.8190	0.000	1	109.8190	0.000	1	109.8190	0.000	1	109.8190	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:3:2:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:S[6]-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(H)2	C[6,6](C[6]C[6,6a]HH)(C[6,6]N[6]2)(S[6]C[6,6a])(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(H)2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]N[6]2)(S[6]C[6,6a])(H){1|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	109.5555	0.042	2	109.5555	0.002	2	109.5555	0.002	2	109.5555	0.002	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:3:3:1:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-3:N[6,6]-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2	C[6,6](C[6]C[5a,6]HH)(C[6]N[5,6]O)(N[6,6]C[6]2)(H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2{1|C<4>,1|O<1>,2|N<3>,3|C<3>}	C[6,6](C[6]C[5a,6]HH)(C[6]N[5,6]O)(N[6,6]C[6]2)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[6]C[5a,6]C[6,6]H)	109.6505	0.046	2	109.6505	0.002	2	109.6505	0.002	2	109.7458	1.729	31	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:3:3:1:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(C[6]C[6]O)(H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6,6]H)	110.0512	0.128	4	110.0512	0.016	4	110.0455	0.007	12	109.7458	1.729	31	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:3:3:1:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]H)(C[6]N[5,6]O)(H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]H)(C[6]N[5,6]O)(H){1|Cl<1>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6,6]H)	109.9900	0.055	2	109.9900	0.003	2	110.0455	0.007	12	109.7458	1.729	31	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:3:3:1:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6]2)(C[6]N[6]O)(H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2{1|C<4>,1|O<1>,2|N<3>,3|C<3>}	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6]2)(C[6]N[6]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[6]C[5a,6]C[6,6]H)	110.0602	0.061	6	110.0602	0.004	6	110.0455	0.007	12	109.7458	1.729	31	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:3:3:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6,6]C)(C[6]C[6]H)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6,6]C)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|N<3>}	H(C[6]C[6,6a]C[6,6]H)	109.7163	0.083	15	109.7163	0.007	15	109.7163	0.007	15	109.7458	1.729	31	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:3:3:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]N[6]O)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]N[6]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.2650	6.797	2	108.2650	46.195	2	108.2650	46.195	2	109.7458	1.729	31	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:1:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(C[6]C[6]CH)(H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2{1|C<2>,1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]C[6,6]H)	106.2740	1.047	4	106.2740	1.097	4	106.2740	1.097	4	108.0305	1.393	16	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6,6]H)	108.5620	0.000	1	108.5620	0.000	1	108.5620	0.000	1	108.0305	1.393	16	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(C[6]N[6,6]HO)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(C[6]N[6,6]HO)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6,6]H)	108.4200	0.011	2	108.4200	0.000	2	108.6209	0.115	11	108.0305	1.393	16	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(C[6]N[6]HH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(C[6]N[6]HH)(H){2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6,6]H)	108.5580	0.375	2	108.5580	0.140	2	108.6209	0.115	11	108.0305	1.393	16	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(C[6]O[6]HH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6,6]H)	108.3875	0.589	2	108.3875	0.347	2	108.6209	0.115	11	108.0305	1.393	16	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]C[6]HN)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]C[6]HN)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.0795	0.064	2	109.0795	0.004	2	108.6209	0.115	11	108.0305	1.393	16	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]C[6]H)(H)2	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]C[6]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.6467	0.141	3	108.6467	0.020	3	108.6209	0.115	11	108.0305	1.393	16	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:3:	4:	C[6,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)(H)2	C[6,6](C[6]C[6,6]HH)(C[6]C[6,6a]O)(C[6]O[6]HH)(C[6]C[6]O)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)(H)2{2|H<1>,2|O<1>,2|O<2>,4|C<3>}	C[6,6](C[6]C[6,6]HH)(C[6]C[6,6a]O)(C[6]O[6]HH)(C[6]C[6]O){5|C<3>}	H(C[6]C[6,6]2H)	109.7080	0.020	2	109.7080	0.000	2	109.7080	0.000	2	109.2400	0.082	9	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:N[6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)2	C[6,6](C[6]C[6,6a]HH)(N[6]N[5a]C[6])(C[6]C[6]HH)(C[6]C[6]C)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)2{1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6]C[6,6a]HH)(N[6]N[5a]C[6])(C[6]C[6]HH)(C[6]C[6]C){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.0770	0.004	2	109.1063	0.015	7	109.1063	0.015	7	109.2400	0.082	9	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:N[6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)2	C[6,6](C[6]C[6,6a]HH)(N[6]N[5a]C[6])(C[6]C[6]HH)(C[6]C[6]C)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)2{1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6,6a]HH)(N[6]N[5a]C[6])(C[6]C[6]HH)(C[6]C[6]C){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.1633	0.188	3	109.1063	0.015	7	109.1063	0.015	7	109.2400	0.082	9	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:N[6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)2	C[6,6](C[6]C[6,6a]HH)(N[6]N[5a]C[6])(C[6]C[6]HH)(C[6]C[6]C)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)2{2|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[6,6](C[6]C[6,6a]HH)(N[6]N[5a]C[6])(C[6]C[6]HH)(C[6]C[6]C){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.0500	0.016	2	109.1063	0.015	7	109.1063	0.015	7	109.2400	0.082	9	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]C)(H)2	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]C)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.2515	0.013	2	109.2515	0.000	2	109.2515	0.000	2	108.8615	0.203	4	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:4:	4:	C[6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6,6]C[6]3)(H)2	C[6,6](C[6]C[6,6a]HO)(C[6]C[6,6a]O)(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6a]O)(C[6,6]C[6]3)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]HO)(C[6]C[6,6a]O)(C[6]C[6]HH)2{1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	108.4715	0.040	2	108.4715	0.002	2	108.4715	0.002	2	108.8615	0.203	4	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(O[6]C[6])(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(O[6]C[6])(H){1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	108.5942	0.136	6	108.5942	0.018	6	108.5989	0.113	20	108.6513	0.176	26	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)2	C[6,6](C[6,6]C[6,6]HS)(C[6]C[6,6a]HH)(O[6]C[6,6a])(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]HS)(C[6]C[6,6a]HH)(O[6]C[6,6a])(H){1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	108.4910	0.244	8	108.4910	0.060	8	108.5989	0.113	20	108.6513	0.176	26	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(O[6]C[6,6a])(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(O[6]C[6,6a])(H){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	108.5485	0.021	2	108.5485	0.000	2	108.5989	0.113	20	108.6513	0.176	26	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]O[6]H)(H)2	C[6,6](C[6,6]C[6,6]HS)(C[6]C[6,6a]HH)(O[6]C[6,6a])(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]O[6]H)(H)2{1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6,6](C[6,6]C[6,6]HS)(C[6]C[6,6a]HH)(O[6]C[6,6a])(H){1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	108.2810	0.035	2	108.2810	0.001	2	108.5989	0.113	20	108.6513	0.176	26	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]O[6]H)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(O[6]C[6,6a])(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]O[6]H)(H)2{1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(O[6]C[6,6a])(H){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	109.4135	0.008	2	109.4135	0.000	2	108.5989	0.113	20	108.6513	0.176	26	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:S[6]-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(H)2	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(S[6]C[6])(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(S[6]C[6])(H){3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.3185	0.029	2	108.3185	0.001	2	108.3185	0.001	2	108.6513	0.176	26	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6,6]-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)2	C[6,6](C[6]C[6,6a]HH)2(O[6,6]C[6,6])(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]HH)2(O[6,6]C[6,6])(H){1|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	109.0795	0.645	4	109.0795	0.416	4	109.0795	0.416	4	108.6513	0.176	26	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:2:2:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]O[6]O)(H)2	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[5a,6]HH)(O[6]C[6,6a])(OC)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]O[6]O)(H)2{1|H<1>,3|C<3>,3|O<2>}	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[5a,6]HH)(O[6]C[6,6a])(OC){1|O<1>,4|C<3>}	H(C[6]C[5a,6]C[6,6]H)	109.8930	0.131	5	109.8930	0.017	5	109.8930	0.017	5	109.1884	0.351	17	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:2:2:	4:	C[6,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]2)(H)2	C[6,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])2	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]2)(H)2{4|H<1>,5|C<4>}	C[6,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])2{1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]2H)	108.3100	0.849	2	108.3100	0.720	2	108.3100	0.720	2	109.1884	0.351	17	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:2:2:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]2)(H)2	C[6,6](C[6]C[6,6a]HH)(C[6]C[6]HH)(O[6]C[6,6])(O[6]C[6])	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]2)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6]C[6]HH)(O[6]C[6,6])(O[6]C[6]){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.9191	0.146	8	109.0117	0.055	10	109.0117	0.055	10	109.1884	0.351	17	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:2:2:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]2)(H)2	C[6,6](C[6]C[6,6a]HH)(C[6]C[6]HH)(O[6]C[6,6])(O[6]C[6])	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]2)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6]C[6]HH)(O[6]C[6,6])(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.3820	0.020	2	109.0117	0.055	10	109.0117	0.055	10	109.1884	0.351	17	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:2:4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(O[6]C[6,6])(CH3)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(O[6]C[6,6])(CH3){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6,6]H)	108.1780	0.048	2	108.1780	0.002	2	108.2245	0.004	4	108.2245	0.004	4	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:2:4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(O[6]C[6])(CH3)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(O[6]C[6])(CH3){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.2710	0.007	2	108.2710	0.000	2	108.2245	0.004	4	108.2245	0.004	4	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:1:	4:	C[4,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4,6])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[4,6]HH)(C[6]C[6,6a]O)(H)	H(C[6]C[4,6]C[6,6]H)	C[6](C[4,6]C[4,5,6]C[4,6])(C[6,6]C[6,6]C[6]H)(H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[4,6]HH)(C[6]C[6,6a]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[4,6]C[6,6]H)	110.2812	0.064	8	110.2812	0.004	8	110.2812	0.004	8	108.9272	0.949	110	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:1:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[6,6]-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[5,6]N[6,6]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]H)(H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[5,6]N[6,6]H)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]H)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6,6]H)	110.0300	1.529	2	110.0300	2.337	2	110.0300	2.337	2	108.9272	0.949	110	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:1:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6,6]-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]N[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]N[6,6]H)(H)2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.6495	0.098	2	109.4970	0.019	6	109.4970	0.019	6	108.9272	0.949	110	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:1:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6,6]-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]N[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]N[6,6]H)(H)2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.4207	0.077	4	109.4970	0.019	6	109.4970	0.019	6	108.9272	0.949	110	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:1:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H){2|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6,6]H)	109.8645	0.016	2	109.8645	0.000	2	109.8028	0.413	14	108.9272	0.949	110	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:1:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6,6]H)	108.9770	0.315	2	109.5232	0.199	6	109.8028	0.413	14	108.9272	0.949	110	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:1:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H){3|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6,6]H)	109.7963	0.024	4	109.5232	0.199	6	109.8028	0.413	14	108.9272	0.949	110	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:1:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]S)(H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2{1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]S)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.9885	0.022	2	109.9885	0.000	2	109.8028	0.413	14	108.9272	0.949	110	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:1:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[5a,6]HH)(N[6]C[6]C)(H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[5a,6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6,6]H)	110.0985	1.077	4	110.0985	1.159	4	109.8028	0.413	14	108.9272	0.949	110	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:1:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]O)(H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6,6]H)	110.9880	0.595	2	110.9880	0.354	2	110.9880	0.354	2	108.9272	0.949	110	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|Cl<1>,1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.6470	0.030	2	108.5036	0.789	28	108.4959	0.437	53	108.9272	0.949	110	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.1356	0.637	8	108.5036	0.789	28	108.4959	0.437	53	108.9272	0.949	110	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.6512	0.998	18	108.5036	0.789	28	108.4959	0.437	53	108.9272	0.949	110	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.7563	0.072	3	108.7563	0.005	3	108.4959	0.437	53	108.9272	0.949	110	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,3|C<4>,4|C<3>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.3069	0.156	9	108.4434	0.062	19	108.4959	0.437	53	108.9272	0.949	110	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.6305	0.019	2	108.4434	0.062	19	108.4959	0.437	53	108.9272	0.949	110	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.5501	0.292	8	108.4434	0.062	19	108.4959	0.437	53	108.9272	0.949	110	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.6470	0.000	1	108.4967	0.017	3	108.4959	0.437	53	108.9272	0.949	110	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.4215	0.028	2	108.4967	0.017	3	108.4959	0.437	53	108.9272	0.949	110	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[4,4x6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[4,4x6]N[6]H)(H)2	C[6,6](C[4,4x6]C[5,4x6]C[4,6]O[4,6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[4,4x6]N[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6](C[4,4x6]C[5,4x6]C[4,6]O[4,6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.6170	0.023	2	108.6170	0.001	2	108.6170	0.001	2	108.9272	0.949	110	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[5x6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2{1|C<2>,1|H<1>,3|C<3>,3|C<4>}	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){3|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.4505	0.022	2	108.1945	0.595	15	108.1945	0.595	15	108.9272	0.949	110	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[5x6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.4660	0.039	4	108.1945	0.595	15	108.1945	0.595	15	108.9272	0.949	110	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[5x6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){3|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.0170	0.976	9	108.1945	0.595	15	108.1945	0.595	15	108.9272	0.949	110	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6,6]C[6]2)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2{1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6,6]C[6]2)(H){2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.9320	0.024	2	108.9320	0.001	2	108.9320	0.001	2	108.9272	0.949	110	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.6505	0.039	2	109.6505	0.002	2	109.6505	0.002	2	108.9272	0.949	110	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(H)2	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6,6]H)	108.9205	2.596	2	108.9205	6.738	2	108.9718	2.250	4	108.9272	0.949	110	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(N[6]C[6]S)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(N[6]C[6]S)(H){1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6,6]H)	109.0230	0.010	2	109.0230	0.000	2	108.9718	2.250	4	108.9272	0.949	110	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:3:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]3)(H)2	C[6,6](C[6]C[5a,6]HH)(C[6]N[6]HH)(C[6]C[6]O)2	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]3)(H)2{1|N<2>,2|H<1>,2|N<3>,2|O<1>,3|C<4>}	C[6,6](C[6]C[5a,6]HH)(C[6]N[6]HH)(C[6]C[6]O)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.4480	0.028	2	109.4229	0.047	10	109.4229	0.047	10	109.0324	0.199	43	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:3:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]3)(H)2	C[6,6](C[6]C[5a,6]HH)(C[6]N[6]HH)(C[6]C[6]O)2	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]3)(H)2{1|N<2>,2|H<1>,2|N<3>,2|O<1>,3|C<4>}	C[6,6](C[6]C[5a,6]HH)(C[6]N[6]HH)(C[6]C[6]O)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.4166	0.244	8	109.4229	0.047	10	109.4229	0.047	10	109.0324	0.199	43	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]2)(H)2	C[6,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6]C[5,6]H)(C[6]C[6]O)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]2)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6]C[5,6]H)(C[6]C[6]O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.4745	0.021	2	109.4745	0.000	2	109.0422	0.158	5	109.0324	0.199	43	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]2)(H)2	C[6,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6]C[6,6a]O)(C[6]O[6]O)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]2)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[6,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6]C[6,6a]O)(C[6]O[6]O){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	108.6990	0.000	1	108.6990	0.000	1	109.0422	0.158	5	109.0324	0.199	43	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]2)(H)2	C[6,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6]C[6]H)2	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]2)(H)2{1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6]C[6]H)2{2|H<1>,3|C<3>,4|C<4>}	H(C[6]C[6,6a]C[6,6]H)	108.7815	0.053	2	108.7815	0.003	2	109.0422	0.158	5	109.0324	0.199	43	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6,6a]HH)(C[6]O[6]O)(COO)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6,6a]HH)(C[6]O[6]O)(COO){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6,6]H)	109.1460	0.010	2	109.1460	0.000	2	109.1460	0.000	2	109.0324	0.199	43	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(H)2	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(C[6]C[6,6a]O)(C[6]O[6]O)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(H)2{1|N<3>,1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(C[6]C[6,6a]O)(C[6]O[6]O){1|C<4>,6|C<3>}	H(C[6]C[6,6a]C[6,6]H)	108.3440	0.000	1	108.3440	0.000	1	108.7055	0.261	2	109.0324	0.199	43	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6]N[6]O)2	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<1>,3|N<3>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6]N[6]O)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.0670	0.000	1	109.0670	0.000	1	108.7055	0.261	2	109.0324	0.199	43	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2	C[6,6](C[6]C[6,6a]HH)(C[6]C[6]HH)(C[6]N[6]O)2	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2{2|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6]C[6]HH)(C[6]N[6]O)2{2|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	108.5600	0.000	1	108.5600	0.000	1	108.9621	0.456	7	109.0324	0.199	43	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2	C[6,6](C[6]C[6,6a]HH)(C[6]N[6]HH)(C[6]C[6]O)2	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2{1|N<2>,2|C<4>,2|H<1>,2|N<3>,3|O<1>}	C[6,6](C[6]C[6,6a]HH)(C[6]N[6]HH)(C[6]C[6]O)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.6445	0.028	2	109.4797	0.036	4	108.9621	0.456	7	109.0324	0.199	43	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2	C[6,6](C[6]C[6,6a]HH)(C[6]N[6]HH)(C[6]C[6]O)2	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2{1|N<2>,2|C<4>,2|H<1>,2|N<3>,3|O<1>}	C[6,6](C[6]C[6,6a]HH)(C[6]N[6]HH)(C[6]C[6]O)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.3150	0.007	2	109.4797	0.036	4	108.9621	0.456	7	109.0324	0.199	43	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(C[6]N[6]O)2	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2{1|C<4>,2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(C[6]N[6]O)2{2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6,6]H)	108.1280	0.048	2	108.1280	0.002	2	108.9621	0.456	7	109.0324	0.199	43	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:N[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)2	C[6,6](C[6]C[6,6a]HH)(C[6]C[6]HH)(C[6]N[6]O)(N[6]C[6]C)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6]C[6]HH)(C[6]N[6]O)(N[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.5250	0.000	1	109.5250	0.000	1	109.5250	0.000	1	109.0324	0.199	43	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:3:	4:	C[6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6,6]C[6]3)(H)2	C[6,6](C[6]C[6,6a]HH)(C[6]C[6]HH)(C[6]N[6]O)2	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6a]C)(C[6,6]C[6]3)(H)2{2|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6,6](C[6]C[6,6a]HH)(C[6]C[6]HH)(C[6]N[6]O)2{2|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.1540	0.058	2	109.1540	0.003	2	109.1540	0.003	2	109.0324	0.199	43	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:3:	4:	N[6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](N[6]C[5a,6]C)(C[6,6]C[6]3)(H)2	C[6,6](C[6]C[5a,6]HH)(C[6]N[6]HH)(C[6]C[6]O)2	H(C[6]C[6,6]N[6]H)	C[6](N[6]C[5a,6]C)(C[6,6]C[6]3)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6]C[5a,6]HH)(C[6]N[6]HH)(C[6]C[6]O)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	108.5879	0.069	8	108.5879	0.005	8	108.7629	0.094	14	109.0324	0.199	43	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:3:	4:	N[6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](N[6]C[5a,6]H)(C[6,6]C[6]3)(H)2	C[6,6](C[6]C[5a,6]HH)(C[6]N[6]HH)(C[6]C[6]O)2	H(C[6]C[6,6]N[6]H)	C[6](N[6]C[5a,6]H)(C[6,6]C[6]3)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6]C[5a,6]HH)(C[6]N[6]HH)(C[6]C[6]O)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6]N[6]H)	108.5625	0.013	2	108.5625	0.000	2	108.7629	0.094	14	109.0324	0.199	43	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:3:	4:	N[6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6,6]C[6]3)(H)2	C[6,6](C[6]C[6,6a]HH)(C[6]N[6]HH)(C[6]C[6]O)2	H(C[6]C[6,6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6,6]C[6]3)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6]C[6,6a]HH)(C[6]N[6]HH)(C[6]C[6]O)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	109.3265	0.049	2	109.3265	0.002	2	108.7629	0.094	14	109.0324	0.199	43	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:3:	4:	N[6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6,6]C[6]3)(H)2	C[6,6](C[6]C[6,6a]HH)(C[6]N[6]HH)(C[6]C[6]O)2	H(C[6]C[6,6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6,6]C[6]3)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6]C[6,6a]HH)(C[6]N[6]HH)(C[6]C[6]O)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6]N[6]H)	109.1000	0.010	2	109.1000	0.000	2	108.7629	0.094	14	109.0324	0.199	43	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6,6]-3:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2)(CH3)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2{1|C<3>,1|N<2>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2)(CH3){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[5a,6]C[6,6]H)	106.6125	0.773	2	106.6125	0.597	2	106.6125	0.597	2	108.2980	3.231	9	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]C)(H)2	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6,6a]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]C)(H)2{1|C<4>,1|O<1>,3|C<3>,3|O<2>}	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6,6a]HH)(C[6]C[6]O)(CH3){3|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	109.4137	0.025	3	109.4137	0.001	3	109.4137	0.001	3	108.2980	3.231	9	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]O)(CC[6a]HH)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]O)(CC[6a]HH){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.3040	2.297	4	108.3040	5.277	4	108.3040	5.277	4	108.2980	3.231	9	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6]-3:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[3,5])(C[6,6]C[5,6]C[6,6]H)(H)2	C[6,6](C[5,6]C[3,5]C[5,6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6,6]C[3,5])(C[6,6]C[5,6]C[6,6]H)(H)2{2|C<3>,2|H<1>,6|C<4>}	C[6,6](C[5,6]C[3,5]C[5,6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H){1|C<2>,1|C<3>,1|O<1>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6,6]H)	109.4015	0.019	2	109.4015	0.000	2	109.4015	0.000	2	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6a]C[5])(C[6,6]C[6,6]N[6]H)(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(N[6]C[6]CH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6,6a]C[5])(C[6,6]C[6,6]N[6]H)(H)2{1|N<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(N[6]C[6]CH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.4545	0.009	2	109.4545	0.000	2	109.4545	0.000	2	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]N[5a])(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[5a,6]HH)(H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6,6]N[5a])(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[5a,6]HH)(H){1|N<2>,2|C<3>,4|H<1>,5|C<4>}	H(C[6]C[5a,6]C[6,6]H)	109.1268	0.089	4	109.1268	0.008	4	109.4361	0.113	8	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]C)(C[6]C[5a,6]HH)(H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2H)(H)2{1|N<2>,2|H<1>,2|N<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]C)(C[6]C[5a,6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.7455	0.025	4	109.7455	0.001	4	109.4361	0.113	8	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]2H)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[5a,6]C[6,6]H)	110.0560	0.008	2	110.0560	0.000	2	109.7030	0.069	22	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]2H)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.6245	0.149	6	109.6998	0.059	18	109.7030	0.069	22	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]2H)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,3|O<2>,4|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.5600	0.103	8	109.6998	0.059	18	109.7030	0.069	22	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]2H)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[5a,6]C[6,6]H)	110.0922	0.037	4	109.6998	0.059	18	109.7030	0.069	22	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]2H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.3790	0.028	2	109.3790	0.001	2	109.7030	0.069	22	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]CH)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]CH)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|N<3>,3|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.6292	0.803	4	109.6292	0.645	4	109.6595	0.055	58	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.7344	0.122	26	109.6544	0.024	50	109.6595	0.055	58	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,2|C<4>,5|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.5677	0.138	24	109.6544	0.024	50	109.6595	0.055	58	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(C[6]C[6]CC)(H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2{2|H<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[5a,6]C[6,6]H)	109.8045	0.037	2	109.8045	0.001	2	109.6595	0.055	58	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	H(C[6]C[5a,6]C[6,6]H)	109.7030	0.024	2	109.7030	0.001	2	109.6595	0.055	58	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,2|O<2>,6|C<4>}	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.6945	0.022	2	111.3077	28.595	4	110.4170	13.183	8	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,2|O<2>,5|C<4>}	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6,6]H)	112.9210	8.682	2	111.3077	28.595	4	110.4170	13.183	8	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2{1|S<4>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.7165	0.059	2	109.5263	0.050	4	110.4170	13.183	8	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|N<4>,5|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.3360	0.023	2	109.5263	0.050	4	110.4170	13.183	8	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]H)(H)2	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]H)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.6497	0.382	31	109.6497	0.146	31	109.5928	0.189	33	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[3x6]C[6]H)(H)2	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[3x6]C[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,1|N<4>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.7105	0.028	2	108.7105	0.001	2	109.5928	0.189	33	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.7937	1.552	15	108.7937	2.408	15	108.7083	0.935	38	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CC)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CC)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.8417	0.042	4	108.8417	0.002	4	108.7083	0.935	38	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.7254	0.149	10	108.7254	0.022	10	108.7083	0.935	38	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CO)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CO)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.5640	0.016	2	108.5640	0.000	2	108.7083	0.935	38	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.4110	0.016	2	108.4877	0.004	6	108.7083	0.935	38	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.5260	0.019	4	108.4877	0.004	6	108.7083	0.935	38	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CN)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CN)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.3360	0.000	1	108.3360	0.000	1	108.7083	0.935	38	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[5x6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2{2|C<3>,2|H<1>,5|C<4>}	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.3656	0.226	8	108.3656	0.051	8	108.3656	0.051	8	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2{1|O<2>,2|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.2310	0.000	1	109.4870	0.071	14	109.3954	0.094	20	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2{1|O<2>,2|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H){2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.2177	0.029	3	109.4870	0.071	14	109.3954	0.094	20	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2{1|O<2>,3|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.8140	0.027	2	109.4870	0.071	14	109.3954	0.094	20	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2{1|O<2>,3|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.6910	0.377	3	109.4870	0.071	14	109.3954	0.094	20	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2{2|C<3>,2|O<2>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H){2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.4466	0.032	5	109.4870	0.071	14	109.3954	0.094	20	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H){2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.9838	0.040	4	109.1817	0.095	6	109.3954	0.094	20	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2{2|C<3>,2|O<2>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H){2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.5775	0.016	2	109.1817	0.095	6	109.3954	0.094	20	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(C[6,6]C[6]2O)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,2|O<2>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(C[6,6]C[6]2O)(H){2|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.2455	0.035	2	108.2455	0.001	2	108.2455	0.001	2	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.2640	0.086	2	108.2640	0.007	2	109.0079	0.336	46	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(C[6]C[6,6a]HH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(C[6]C[6,6a]HH)(H){1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	108.2585	0.011	2	108.2585	0.000	2	109.0079	0.336	46	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	110.8545	0.029	2	110.2160	0.544	4	109.0079	0.336	46	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){4|C<3>,4|C<4>}	H(C[6]C[6,6a]C[6,6]H)	109.5775	0.015	2	110.2160	0.544	4	109.0079	0.336	46	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.2585	0.033	2	109.2585	0.001	2	109.0079	0.336	46	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	109.2910	0.000	1	109.1990	0.006	5	109.0079	0.336	46	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H){3|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	109.1760	0.064	4	109.1990	0.006	5	109.0079	0.336	46	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HO)(H){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6,6]H)	109.4960	0.192	2	109.4960	0.037	2	109.0079	0.336	46	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	109.5070	0.021	2	109.5070	0.000	2	109.0079	0.336	46	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6a]C[6]2)(C[6]C[6,6a]HH)2(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6a]C[6]2)(C[6]C[6,6a]HH)2(H){1|C<4>,3|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6,6]H)	108.9017	0.312	3	108.9017	0.098	3	109.0079	0.336	46	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]N[5,6]O[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[6,6]N[5,6]O[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H){1|H<1>,1|S<4>,5|C<3>}	H(C[6]C[6,6a]C[6,6]H)	109.2073	0.158	4	109.2073	0.025	4	109.0079	0.336	46	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(C[6]C[6]ClH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(C[6]C[6]ClH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.8070	0.137	6	108.8070	0.019	6	109.0079	0.336	46	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	108.8360	0.074	2	108.8360	0.005	2	109.0079	0.336	46	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H){1|H<1>,1|S<4>,5|C<3>}	H(C[6]C[6,6a]C[6,6]H)	109.4640	0.027	2	109.4640	0.001	2	109.0079	0.336	46	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	H(C[6]C[6,6a]C[6,6]H)	108.6425	0.022	2	108.5225	0.009	6	109.0079	0.336	46	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6,6]H)	108.4625	0.022	4	108.5225	0.009	6	109.0079	0.336	46	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.6355	0.032	2	108.6355	0.001	2	109.0079	0.336	46	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6,6]H)	108.2765	0.013	2	108.2765	0.000	2	109.0079	0.336	46	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(H)2	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.3455	2.971	2	108.3455	8.824	2	108.3455	8.824	2	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.4180	0.049	2	108.5758	1.523	10	108.9595	0.667	36	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.3510	0.106	5	108.5758	1.523	10	108.9595	0.667	36	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.0557	2.517	3	108.5758	1.523	10	108.9595	0.667	36	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.5176	0.183	8	108.9577	0.398	16	108.9595	0.667	36	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.3978	0.613	8	108.9577	0.398	16	108.9595	0.667	36	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.8380	0.020	2	108.8380	0.000	2	108.9595	0.667	36	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2O)(C[6]C[6]HO)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|H<1>,2|O<2>,5|C<3>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2O)(C[6]C[6]HO)(H){3|C<3>,3|O<1>}	H(C[6]C[6,6a]C[6,6]H)	109.3465	0.006	2	109.3465	0.000	2	108.9595	0.667	36	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6]C[6,6a]HH)(C[6,6]O[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>,3|O<2>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]O[6]2C)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.5555	0.021	2	109.5555	0.000	2	108.9595	0.667	36	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6]C[6,6a]HH)(C[6,6]O[6]2H)(C[6]C[6]CH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]O[6]2H)(C[6]C[6]CH)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6,6]H)	109.4955	0.061	4	109.4955	0.004	4	108.9595	0.667	36	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6,6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6]C[6,6a]HH)2(C[6,6]O[6]2C)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]HH)2(C[6,6]O[6]2C)(H){4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	109.2862	0.111	4	109.2862	0.012	4	109.4056	0.016	10	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6,6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(C[6,6]O[6]2H)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(C[6,6]O[6]2H)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	109.5420	0.007	2	109.4852	0.002	6	109.4056	0.016	10	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6,6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(C[6,6]O[6]2H)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|O<2>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(C[6,6]O[6]2H)(H){1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6,6]H)	109.4567	0.021	4	109.4852	0.002	6	109.4056	0.016	10	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	N[5,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[5,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]N[5,6]H)	C[6](N[5,6]C[5,5,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[5,6]HH)(C[6]C[6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]N[5,6]H)	109.8920	0.020	2	109.8920	0.000	2	109.8920	0.000	2	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]N[6,6]H)	107.8570	5.513	2	107.8570	30.389	2	109.2679	3.902	20	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2{1|C<2>,1|N<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){3|H<1>,5|C<4>}	H(C[6]C[6,6]N[6,6]H)	108.3690	0.303	2	109.4247	2.313	18	109.2679	3.902	20	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2{1|N<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){3|H<1>,5|C<4>}	H(C[6]C[6,6]N[6,6]H)	110.8205	5.645	2	109.4247	2.313	18	109.2679	3.902	20	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2{1|N<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]N[6,6]H)	109.5140	0.023	2	109.4247	2.313	18	109.2679	3.902	20	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2{1|N<4>,1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]N[6,6]H)	109.3335	0.035	2	109.4247	2.313	18	109.2679	3.902	20	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2{1|N<4>,4|C<4>,6|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){4|H<1>,5|C<4>}	H(C[6]C[6,6]N[6,6]H)	109.3571	0.360	10	109.4247	2.313	18	109.2679	3.902	20	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	N[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6a]HH)(H)	H(C[6]N[6,6a]C[6,6]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6a]HH)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6]N[6,6a]C[6,6]H)	108.6080	0.074	2	108.5143	0.006	7	108.5143	0.006	7	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	N[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6a]HH)(H)	H(C[6]N[6,6a]C[6,6]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2{1|N<4>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6a]HH)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]N[6,6a]C[6,6]H)	108.4768	0.030	5	108.5143	0.006	7	108.5143	0.006	7	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:1:	4:	N[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6a]HH)(C[6]N[6]HH)(H)	H(C[6]N[6,6a]C[6,6]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,1|N<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6a]HH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]N[6,6a]C[6,6]H)	108.8455	1.050	31	108.8455	1.102	31	108.8455	1.102	31	109.2272	1.021	355	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:2:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]2O[6])(H)2	C[6,6](C[6]C[5a,6]HH)(C[6]C[6]HH)2(O[6]C[6])	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]2O[6])(H)2{2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6]C[5a,6]HH)(C[6]C[6]HH)2(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.9655	0.011	2	109.9655	0.000	2	109.9655	0.000	2	109.6227	0.157	4	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:2:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[6,6]C[6,6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(OH)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6,6]C[6,6]C[6]O)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.2800	0.014	2	109.2800	0.000	2	109.2800	0.000	2	109.6227	0.157	4	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:3:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]3)(H)2	C[6,6](C[6]C[5a,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[6]N[6]O)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]3)(H)2{1|O<1>,2|C<3>,2|N<3>,3|C<4>,3|H<1>}	C[6,6](C[6]C[5a,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[6]N[6]O){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.0752	0.458	4	109.0752	0.210	4	109.0752	0.210	4	108.9735	0.248	18	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6,6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2	C[6,6](C[6]C[6,6a]HH)2(C[6,6]C[6]2C)(COO)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2{2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6,6a]HH)2(C[6,6]C[6]2C)(COO){4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.4614	0.177	7	108.4614	0.031	7	108.4614	0.031	7	108.9735	0.248	18	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:3:	4:	N[6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6,6]C[6]3)(H)2	C[6,6](C[6]C[5,6]HH)(C[6]N[6]HH)2(C[6]C[6]O)	H(C[6]C[6,6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6,6]C[6]3)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6]C[5,6]HH)(C[6]N[6]HH)2(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]N[6]H)	109.4274	0.117	7	109.4274	0.014	7	109.4274	0.014	7	108.9735	0.248	18	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:4:	4:	C[5,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]2C)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(CH3)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]2C)(H)2{2|N<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(CH3){2|C<3>,3|C<4>,7|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.4826	0.161	8	109.4826	0.026	8	109.4826	0.026	8	109.2452	0.172	98	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6]C[5a,6]HH)(CH3)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2{1|N<2>,2|N<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6]C[5a,6]HH)(CH3){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.4865	0.152	4	109.4865	0.023	4	109.4865	0.023	4	109.2452	0.172	98	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2{1|N<2>,1|N<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3){2|C<3>,3|C<4>,7|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.2686	0.120	54	109.2884	0.017	60	109.3177	0.029	64	109.2452	0.172	98	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2{1|N<2>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3){2|C<3>,4|H<1>,6|C<4>}	H(C[6]C[5a,6]C[6,6]H)	109.4672	0.116	4	109.2884	0.017	60	109.3177	0.029	64	109.2452	0.172	98	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2{1|N<2>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3){3|C<3>,4|H<1>,5|C<4>}	H(C[6]C[5a,6]C[6,6]H)	109.4670	0.040	2	109.2884	0.017	60	109.3177	0.029	64	109.2452	0.172	98	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]2C)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]2C)(H)2{1|C<3>,1|N<2>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3){1|N<2>,1|O<1>,2|C<3>,2|H<1>,5|C<4>}	H(C[6]C[5a,6]C[6,6]H)	109.7825	0.035	2	109.7567	0.001	4	109.3177	0.029	64	109.2452	0.172	98	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]2C)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]2C)(H)2{1|N<2>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3){1|N<2>,2|C<3>,4|H<1>,5|C<4>}	H(C[6]C[5a,6]C[6,6]H)	109.7310	0.014	2	109.7567	0.001	4	109.3177	0.029	64	109.2452	0.172	98	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]C)(H)2	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]C)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.6010	0.027	2	109.6010	0.001	2	109.6010	0.001	2	109.2452	0.172	98	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2C)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6,6]C[6]2H)(CH3)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2C)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6,6]C[6]2H)(CH3){2|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.0080	0.000	1	108.0080	0.000	1	108.0080	0.000	1	109.2452	0.172	98	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(C[6]C[6]HH)(CCHH)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(C[6]C[6]HH)(CCHH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.2343	0.044	4	108.2343	0.002	4	108.2343	0.002	4	109.2452	0.172	98	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2{3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.1725	0.021	2	108.1725	0.000	2	108.1725	0.000	2	109.2452	0.172	98	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2	C[6,6](C[6]C[6,6a]HH)(C[6]C[6]CC)(C[6]C[6]HH)2	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2{1|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6]C[6]CC)(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.7055	0.013	2	108.7055	0.000	2	108.8163	0.037	3	109.2452	0.172	98	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2	C[6,6](C[6]C[6,6a]HH)(C[6]C[6]HH)2(C[6]N[6]HH)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2{1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6]C[6]HH)2(C[6]N[6]HH){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.0380	0.000	1	109.0380	0.000	1	108.8163	0.037	3	109.2452	0.172	98	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:4:	4:	N[5,6]-3:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6]C[6]2)(H)2	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6,6]HH)(C[6]N[5,6]HH)2	H(C[6]C[6,6]N[5,6]H)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6]C[6]2)(H)2{1|N<3>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6,6]HH)(C[6]N[5,6]HH)2{1|C<3>,1|H<1>,7|C<4>}	H(C[6]C[6,6]N[5,6]H)	108.5635	0.053	2	108.4938	0.008	4	109.1689	0.733	7	109.2452	0.172	98	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:4:	4:	N[5,6]-3:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6]C[6]2)(H)2	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6,6]HH)(C[6]N[5,6]HH)2	H(C[6]C[6,6]N[5,6]H)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6]C[6]2)(H)2{1|N<3>,2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6,6]HH)(C[6]N[5,6]HH)2{1|C<3>,1|H<1>,7|C<4>}	H(C[6]C[6,6]N[5,6]H)	108.4240	0.020	2	108.4938	0.008	4	109.1689	0.733	7	109.2452	0.172	98	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:4:	4:	N[5,6]-3:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6,6]C[5,6]C[6]2)(H)2	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6,6]HH)(C[6]N[5,6]HH)2	H(C[6]C[6,6]N[5,6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6,6]C[5,6]C[6]2)(H)2{1|N<3>,1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6,6]HH)(C[6]N[5,6]HH)2{1|C<3>,1|H<1>,7|C<4>}	H(C[6]C[6,6]N[5,6]H)	110.0690	0.246	3	110.0690	0.061	3	109.1689	0.733	7	109.2452	0.172	98	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:4:	4:	N[5,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6,6]C[6]3)(H)2	C[6,6](C[6]N[5,6]HH)(C[6]C[6]HH)3	H(C[6]C[6,6]N[5,6]H)	C[6](N[5,6]C[5,6]C[5])(C[6,6]C[6]3)(H)2{2|N<3>,4|C<4>,7|H<1>}	C[6,6](C[6]N[5,6]HH)(C[6]C[6]HH)3{1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]N[5,6]H)	109.6215	0.022	2	109.6215	0.000	2	109.6215	0.000	2	109.2452	0.172	98	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:4:	4:	N[6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6,6]C[6]3)(H)2	C[6,6](C[6]C[6,6a]HH)(C[6]C[6]HH)2(C[6]N[6]HH)	H(C[6]C[6,6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6,6]C[6]3)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6]C[6]HH)2(C[6]N[6]HH){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6]N[6]H)	109.5240	0.000	1	109.5240	0.000	1	109.5240	0.000	1	109.2452	0.172	98	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:2:1:	4:3:3:2:	4:	C[5a,6]-3:C[6,6]-4:O-2:H-1:	C[6]-4:C[6]-3:N[6,6]-3:O-2:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]O)(OH)(H)	C[6,6](C[6]C[5a,6]HO)(C[6]N[5,6]O)(N[6,6]C[6]2)(OH)	H(C[6]C[5a,6]C[6,6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]O)(OH)(H){1|C<4>,1|O<1>,2|N<3>,3|C<3>}	C[6,6](C[6]C[5a,6]HO)(C[6]N[5,6]O)(N[6,6]C[6]2)(OH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[5a,6]C[6,6]O)	108.8680	0.000	1	108.8680	0.000	1	108.8680	0.000	1	108.8680	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:2:1:	4:3:3:4:	4:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6]-4:C[6,6]-3:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2)(C[6]C[6]H)(CC[6a]HH)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H){2|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2)(C[6]C[6]H)(CC[6a]HH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6,6]O)	107.8820	0.000	1	107.8820	0.000	1	107.8820	0.000	1	107.8820	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:2:1:	4:3:4:4:	4:	C[5a,6]-3:C[6,6]-4:O-2:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]C)(OC)(H)	C[6,6](C[6]C[5a,6]HO)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3)	H(C[6]C[5a,6]C[6,6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]C)(OC)(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6](C[6]C[5a,6]HO)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[5a,6]C[6,6]O)	109.2220	0.000	1	109.2220	0.000	1	109.2220	0.000	1	108.2035	2.075	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:2:1:	4:3:4:4:	4:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6]-4:C[6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(OH)(H)	C[6,6](C[6]C[6,6a]HO)(C[6]C[6,6a]O)(C[6]C[6]HH)2	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(OH)(H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[6,6](C[6]C[6,6a]HO)(C[6]C[6,6a]O)(C[6]C[6]HH)2{1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]O)	107.1850	0.000	1	107.1850	0.000	1	107.1850	0.000	1	108.2035	2.075	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:2:1:	4:4:2:1:	4:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[6,6]C[6,6]O[6]H)(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6,6a]HO)(O[6]C[6,6a])(H)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6a]C[6,6a]O[6a])(C[6,6]C[6,6]O[6]H)(OH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6,6a]HO)(O[6]C[6,6a])(H){1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6,6]O)	106.6780	0.000	1	106.6780	0.000	1	106.6780	0.000	1	106.6780	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:2:1:	4:4:3:1:	4:	C[5a,6]-3:C[6,6]-4:N-2:H-1:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(NS)(H)	C[6,6](C[6]C[5a,6]HN)(C[6,6]C[6]2H)(C[6]O[6]O)(H)	H(C[6]C[5a,6]C[6,6]N)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(NS)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6]C[5a,6]HN)(C[6,6]C[6]2H)(C[6]O[6]O)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6,6]N)	107.5230	0.000	1	107.5230	0.000	1	107.5230	0.000	1	107.9570	1.153	3	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:2:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]HO)(C[6]C[6]O)(H)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]HO)(C[6]C[6]O)(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]O)	107.1680	0.000	1	107.1680	0.000	1	107.1680	0.000	1	107.9570	1.153	3	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:2:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6,6]O)	109.1800	0.000	1	109.1800	0.000	1	109.1800	0.000	1	107.9570	1.153	3	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:2:1:	4:4:3:4:	4:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6]-4:C[6,6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]O)(CCHH)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]O)(CCHH){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6a]C[6,6]O)	107.9860	0.301	2	107.9860	0.091	2	107.9860	0.091	2	107.9860	0.091	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC)(H)	C[6,6](C[6,6]C[6,6a]O[6]N)(C[6]C[6,6a]CH)(C[6]S[6]HH)(H)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC)(H){1|N<3>,1|O<2>,1|S<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]O[6]N)(C[6]C[6,6a]CH)(C[6]S[6]HH)(H){4|C<3>}	H(C[6]C[6,6a]C[6,6]C)	107.9820	0.000	1	107.9820	0.000	1	107.9820	0.000	1	108.1277	0.222	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]O)	108.1400	0.199	2	107.8317	0.305	3	108.1520	0.262	6	108.1277	0.222	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]O)	107.2150	0.000	1	107.8317	0.305	3	108.1520	0.262	6	108.1277	0.222	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6,6a]C[6,6]O)	108.2580	0.000	1	108.4723	0.042	3	108.1520	0.262	6	108.1277	0.222	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6,6]O)	108.5795	0.121	2	108.4723	0.042	3	108.1520	0.262	6	108.1277	0.222	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:2:1:	4:4:4:2:	4:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HO)(C[6]C[6]HO)(OH)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(OH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HO)(C[6]C[6]HO)(OH){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]O)	104.9550	0.000	1	104.9550	0.000	1	104.9550	0.000	1	104.9550	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:2:1:	4:4:4:3:	4:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6]-4:C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2C)(C[6]C[6]CC)(CHO)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H){1|O<2>,2|C<3>,6|C<4>}	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2C)(C[6]C[6]CC)(CHO){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6a]C[6,6]O)	107.7920	0.000	1	107.7920	0.000	1	107.4812	0.322	5	107.3013	0.452	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:2:1:	4:4:4:3:	4:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6]-4:C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(CCO)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(CCO){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6a]C[6,6]O)	107.4035	0.624	4	107.4035	0.389	4	107.4812	0.322	5	107.3013	0.452	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:2:1:	4:4:4:3:	4:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(OH)(H)	C[6,6](C[6]C[6,6a]HO)(C[6]C[6]HH)(C[6]C[6]HO)(C[6]C[6]C)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(OH)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6]C[6,6a]HO)(C[6]C[6]HH)(C[6]C[6]HO)(C[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6,6]O)	106.4020	0.000	1	106.4020	0.000	1	106.4020	0.000	1	107.3013	0.452	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:2:1:	4:4:4:4:	4:	C[5,6,6]-3:C[6,6]-4:O-2:H-1:	C[6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6,6]C[6,6]C[6]C)(OC)(H)	C[6,6](C[6]C[5,6,6]HO)(C[6,6]C[6]2O)(C[6]C[6]CH)(CH3)	H(C[6]C[5,6,6]C[6,6]O)	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6,6]C[6,6]C[6]C)(OC)(H){1|H<1>,2|O<2>,7|C<4>}	C[6,6](C[6]C[5,6,6]HO)(C[6,6]C[6]2O)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[5,6,6]C[6,6]O)	108.7060	0.000	1	108.7060	0.000	1	108.7060	0.000	1	108.5590	0.033	3	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:2:1:	4:4:4:4:	4:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OC)(H)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OC)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	H(C[6]C[6,6a]C[6,6]O)	108.4855	0.182	2	108.4855	0.033	2	108.4855	0.033	2	108.5590	0.033	3	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:3:1:	4:3:4:1:	4:	C[5a,6]-3:C[6,6]-4:N-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]H)(NCC)(H)	C[6,6](C[6]C[5a,6]HN)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[5a,6]C[6,6]N)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]H)(NCC)(H){1|N<2>,2|H<1>,4|C<3>}	C[6,6](C[6]C[5a,6]HN)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	H(C[6]C[5a,6]C[6,6]N)	107.3740	0.000	1	107.3740	0.000	1	107.3740	0.000	1	106.5810	0.731	3	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:3:1:	4:3:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	106.6940	0.000	1	106.6940	0.000	1	106.6940	0.000	1	106.5810	0.731	3	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:3:1:	4:3:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6a]C[6a]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,5|C<3>,5|H<1>}	C[6,6](C[6]C[6,6a]C[6a]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]C[6a])	105.6750	0.000	1	105.6750	0.000	1	105.6750	0.000	1	106.5810	0.731	3	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:3:1:	4:3:4:2:	4:	N[5a,6]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:O-2:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]O)(C[6a]C[6a]2)(H)	C[6,6](C[6]N[5a,6]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]O[6]CH)(OH)	H(C[6]N[5a,6]C[6,6]C[6a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]O)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|N<2>,3|H<1>,4|C<3>}	C[6,6](C[6]N[5a,6]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]O[6]CH)(OH){1|N<2>,5|C<3>}	H(C[6]N[5a,6]C[6,6]C[6a])	107.9580	0.000	1	107.9580	0.000	1	107.9580	0.000	1	107.9580	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:3:1:	4:3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[6]O[6]O)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|O<1>,5|C<3>,5|H<1>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[6]O[6]O){2|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	107.5505	0.303	2	107.5505	0.092	2	107.5505	0.092	2	107.5505	0.092	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:3:1:	4:4:3:1:	4:	C[5a,6]-3:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(COO)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[5a,6]C)(H)	H(C[6]C[5a,6]C[6,6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(COO)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[5a,6]C)(H){1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[5a,6]C[6,6]C)	107.3480	0.000	1	107.3480	0.000	1	107.3480	0.000	1	107.8638	2.300	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]O)(H)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]C[6a])	107.5045	0.142	2	107.5045	0.020	2	106.8820	1.173	3	107.8638	2.300	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]C[6a])	105.6370	0.000	1	105.6370	0.000	1	106.8820	1.173	3	107.8638	2.300	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:3:1:	4:4:3:1:	4:	N[5,6]-3:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[5,6]C[5,3x6]C[5,6a])(C[6,6]C[6,6]C[6]H)(COO)(H)	C[6,6](C[6,6]C[3x6]HH)(C[6]N[5,6]CH)(C[6]C[6]C)(H)	H(C[6]C[6,6]N[5,6]C)	C[6](N[5,6]C[5,3x6]C[5,6a])(C[6,6]C[6,6]C[6]H)(COO)(H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[3x6]HH)(C[6]N[5,6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]N[5,6]C)	109.5470	0.000	1	109.5470	0.000	1	109.5945	0.005	2	107.8638	2.300	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:3:1:	4:4:3:1:	4:	N[5,6]-3:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6,6]C[6,6]C[6]H)(COO)(H)	C[6,6](C[6,6]C[3x6]HH)(C[6]N[5,6]CH)(C[6]C[6]C)(H)	H(C[6]C[6,6]N[5,6]C)	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6,6]C[6,6]C[6]H)(COO)(H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[3x6]HH)(C[6]N[5,6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]N[5,6]C)	109.6420	0.000	1	109.6420	0.000	1	109.5945	0.005	2	107.8638	2.300	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:3:1:	4:4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C-3:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCH)(H)	C[6,6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(C[6]N[6]O)2	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCH)(H){2|H<1>,2|O<1>,3|C<3>,3|N<3>}	C[6,6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(C[6]N[6]O)2{1|S<4>,2|C<4>,5|C<3>}	H(C[6]C[6,6a]C[6,6]C)	107.1290	0.000	1	107.1290	0.000	1	107.1290	0.000	1	106.9779	0.854	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:3:1:	4:4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(C[6]N[6]O)2	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H){2|O<1>,3|H<1>,3|N<3>,6|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(C[6]N[6]O)2{1|H<1>,2|C<4>,7|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	104.8110	0.000	1	104.8110	0.000	1	106.6368	1.537	4	106.9779	0.854	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:3:1:	4:4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(C[6]C[6]O)(C[6]O[6]O)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,2|O<1>,4|C<3>,5|H<1>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(C[6]C[6]O)(C[6]O[6]O){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]C[6a])	107.4120	0.025	2	107.4120	0.001	2	106.6368	1.537	4	106.9779	0.854	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:3:1:	4:4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(C[6]N[6]O)2	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H){2|O<1>,3|H<1>,3|N<3>,6|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(C[6]N[6]O)2{1|H<1>,2|C<4>,7|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	106.9120	0.000	1	106.9120	0.000	1	106.6368	1.537	4	106.9779	0.854	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:3:1:	4:4:3:3:	4:	N[6]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(C[6]N[6]O)2	H(C[6]C[6,6]C[6a]N[6])	C[6](N[6]C[6,6a]H)(C[6,6]C[6]3)(C[6a]C[6a]2)(H){2|N<3>,2|O<1>,3|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(C[6]N[6]O)2{1|H<1>,2|C<4>,7|C<3>}	H(C[6]C[6,6]C[6a]N[6])	107.5300	0.506	2	107.5300	0.256	2	107.3823	0.194	3	106.9779	0.854	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:3:1:	4:4:3:3:	4:	N[6]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(C[6]N[6]O)2	H(C[6]C[6,6]C[6a]N[6])	C[6](N[6]C[6,6a]S)(C[6,6]C[6]3)(C[6a]C[6a]2)(H){1|Br<1>,2|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[6,6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(C[6]N[6]O)2{1|S<4>,2|C<4>,5|C<3>}	H(C[6]C[6,6]C[6a]N[6])	107.0870	0.000	1	107.0870	0.000	1	107.3823	0.194	3	106.9779	0.854	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:3:1:	4:4:3:4:	4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6]-4:N[6]-3:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2H)(N[6]C[6,6a]C)(CH3)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,7|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2H)(N[6]C[6,6a]C)(CH3){2|O<1>,6|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	111.5180	0.000	2	111.5180	0.000	2	111.5180	0.000	2	111.5180	0.000	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:3:1:	4:4:4:1:	4:	C[5a,6]-3:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CNO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H)	H(C[6]C[5a,6]C[6,6]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CNO)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6,6]C)	108.1570	0.000	1	108.1570	0.000	1	108.2088	0.127	5	107.5575	0.472	16	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:3:1:	4:4:4:1:	4:	C[5a,6]-3:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(COO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[5,6]HO)(H)	H(C[6]C[5a,6]C[6,6]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(COO)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[5,6]HO)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6,6]C)	108.4960	0.000	1	108.4960	0.000	1	108.2088	0.127	5	107.5575	0.472	16	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:3:1:	4:4:4:1:	4:	C[5a,6]-3:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(COO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H)	H(C[6]C[5a,6]C[6,6]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(COO)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6,6]C)	108.5600	0.000	1	108.5600	0.000	1	108.2088	0.127	5	107.5575	0.472	16	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:3:1:	4:4:4:1:	4:	C[5a,6]-3:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(COO)(H)	C[6,6](C[6,6]C[6,6]CH)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H)	H(C[6]C[5a,6]C[6,6]C)	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(COO)(H){2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]CH)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H){1|C<3>,2|N<3>,3|H<1>}	H(C[6]C[5a,6]C[6,6]C)	107.9155	0.356	2	107.9155	0.127	2	108.2088	0.127	5	107.5575	0.472	16	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(C[6]C[6,6a]HH)(H)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(C[6]C[6,6a]HH)(H){1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]C)	107.5310	0.000	1	107.5310	0.000	1	107.5310	0.000	1	107.5575	0.472	16	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]C[6a]H)(C[6]O[6]HO)(H)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){3|O<2>,5|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]C[6a]H)(C[6]O[6]HO)(H){6|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	107.4900	0.535	2	107.4900	0.286	2	107.2924	0.334	5	107.5575	0.472	16	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6,6a]O[6]N)(C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,5|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]O[6]N)(C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H){2|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	106.7695	0.045	2	106.7695	0.002	2	107.2924	0.334	5	107.5575	0.472	16	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(H)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,5|H<1>,6|C<3>}	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(H){1|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	107.9430	0.000	1	107.9430	0.000	1	107.2924	0.334	5	107.5575	0.472	16	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(H)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,4|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	106.8460	0.000	1	106.8460	0.000	1	106.8460	0.000	1	107.5575	0.472	16	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(NC[6a]H)(H)	C[6,6](C[6,6]C[6]N[6]O[6])(C[6]C[6,6a]HN)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]C[6,6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(NC[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]O[6])(C[6]C[6,6a]HN)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6,6]N)	106.5750	0.000	1	106.5750	0.000	1	106.5705	0.000	2	107.5575	0.472	16	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(NC[6a]H)(H)	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6a]HN)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]C[6,6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(NC[6a]H)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6a]HN)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]N)	106.5660	0.000	1	106.5660	0.000	1	106.5705	0.000	2	107.5575	0.472	16	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]N[6])	107.9480	0.000	2	107.9480	0.000	2	107.9480	0.000	2	107.5575	0.472	16	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:3:1:	4:4:4:2:	4:	C[6,6a]-3:C[6,6]-4:C-3:H-1:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(COO)(H)	C[6,6](C[6]C[6,6a]CH)(C[6]C[6]HH)2(O[6]C[6])	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(COO)(H){2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6]C[6,6a]CH)(C[6]C[6]HH)2(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]C)	108.0070	0.000	1	108.0070	0.000	1	108.0070	0.000	1	108.0070	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:3:1:	4:4:4:3:	4:	N[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](N[6,6a]C[6,6a,6a]C[6a,6a])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(H)	C[6,6](C[6]N[6,6a]C[6a]H)(C[6,6]C[6,6a]2H)(C[6]O[6]HH)(COO)	H(C[6]N[6,6a]C[6,6]C[6a])	C[6](N[6,6a]C[6,6a,6a]C[6a,6a])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(H){1|O<2>,5|H<1>,7|C<3>}	C[6,6](C[6]N[6,6a]C[6a]H)(C[6,6]C[6,6a]2H)(C[6]O[6]HH)(COO){7|C<3>}	H(C[6]N[6,6a]C[6,6]C[6a])	106.2170	0.000	1	106.2170	0.000	1	106.2170	0.000	1	106.2170	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:4:1:	3:4:2:2:	4:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]2)(CHHO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(O[6]C[6])2	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]2)(CHHO)(H){2|C<4>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(O[6]C[6])2{1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6,6]C)	108.2970	0.000	1	108.2970	0.000	1	108.2970	0.000	1	108.2970	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:4:1:	4:3:3:4:	4:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6]-4:C[6,6]-3:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(CF3)(H)	C[6,6](C[6]C[6,6a]CH)(C[6,6]N[6]2)(C[6]N[6]O)(CC[6a]HH)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(CF3)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[6,6](C[6]C[6,6a]CH)(C[6,6]N[6]2)(C[6]N[6]O)(CC[6a]HH){2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6,6]C)	108.1620	0.000	1	108.1620	0.000	1	108.1620	0.000	1	108.1620	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:4:1:	4:3:4:3:	4:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]C)(CH3)(H)	C[6,6](C[6]C[5a,6]CH)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO)	H(C[6]C[5a,6]C[6,6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6,6](C[6]C[5a,6]CH)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO){2|C<3>,3|C<4>}	H(C[6]C[5a,6]C[6,6]C)	108.1462	0.537	4	108.1462	0.288	4	108.1462	0.288	4	107.4958	2.380	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:4:1:	4:3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6]-4:C[6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CHHN)(H)	C[6,6](C[6]C[6,6a]CH)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[6]O[6]O)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CHHN)(H){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]CH)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[6]O[6]O){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]C)	106.1950	2.441	2	106.1950	5.958	2	106.1950	5.958	2	107.4958	2.380	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(O[6]C[6])(H)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(O[6]C[6])(H){1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]C)	108.0680	0.000	1	107.4345	0.803	2	107.4345	0.803	2	107.5770	0.462	3	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(O[6]C[6])(H)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)(H){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6,6]C)	106.8010	0.000	1	107.4345	0.803	2	107.4345	0.803	2	107.5770	0.462	3	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6]-4:C[6,6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)(H)	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2H)(O[6]C[6])(H)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)(H){1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6,6]C)	107.8620	0.000	1	107.8620	0.000	1	107.8620	0.000	1	107.5770	0.462	3	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:4:1:	4:4:3:1:	4:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CHHO)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]C)(H)	H(C[6]C[5a,6]C[6,6]C)	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CHHO)(H){2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]C)(H){1|C<3>,2|N<3>,3|H<1>}	H(C[6]C[5a,6]C[6,6]C)	107.3063	1.298	3	107.3063	1.685	3	107.3063	1.685	3	107.3906	0.669	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:4:1:	4:4:3:1:	4:	C[5a,6]-3:C[6,6]-4:N-4:H-1:	C[6]-4:C[6]-4:C[6,6]-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]H)(NCCH)(H)	C[6,6](C[6]C[5,6,6]HH)(C[6]C[5a,6]HN)(C[6,6]C[6]2)(H)	H(C[6]C[5a,6]C[6,6]N)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]H)(NCCH)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6,6](C[6]C[5,6,6]HH)(C[6]C[5a,6]HN)(C[6,6]C[6]2)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[6]C[5a,6]C[6,6]N)	107.7890	0.000	1	107.7890	0.000	1	107.7890	0.000	1	107.3906	0.669	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CHHN)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]CH)(C[6]C[6]O)(H)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CHHN)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]CH)(C[6]C[6]O)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]C)	107.8470	0.000	1	107.8470	0.000	1	107.8470	0.000	1	107.3906	0.669	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6,6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)(H)	C[6,6](C[6]C[6,6a]CH)(C[6]C[6,6]HO)(C[6,6]C[6]2)(H)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6]C[6,6a]CH)(C[6]C[6,6]HO)(C[6,6]C[6]2)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6,6]C)	107.0895	0.269	2	107.0895	0.073	2	107.0895	0.073	2	107.3906	0.669	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H)	H(C[6]C[5a,6]C[6,6]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6,6]C)	107.5890	0.000	1	107.6840	0.008	3	107.1697	1.375	9	107.3628	1.213	12	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H)	H(C[6]C[5a,6]C[6,6]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6,6]C)	107.7010	0.000	1	107.6840	0.008	3	107.1697	1.375	9	107.3628	1.213	12	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H)	H(C[6]C[5a,6]C[6,6]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6,6]C)	107.7620	0.000	1	107.6840	0.008	3	107.1697	1.375	9	107.3628	1.213	12	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H)	H(C[6]C[5a,6]C[6,6]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6,6]C)	107.6773	0.212	4	107.6773	0.045	4	107.1697	1.375	9	107.3628	1.213	12	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CHHO)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]CC)(H)	H(C[6]C[5a,6]C[6,6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CHHO)(H){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]CC)(H){1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6,6]C)	104.2330	0.000	1	105.3830	2.645	2	107.1697	1.375	9	107.3628	1.213	12	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CHHO)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]CC)(H)	H(C[6]C[5a,6]C[6,6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CHHO)(H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]CC)(H){1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6,6]C)	106.5330	0.000	1	105.3830	2.645	2	107.1697	1.375	9	107.3628	1.213	12	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CH3)(H)	C[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2H)(C[6]N[6]HH)(H)	H(C[6]C[5a,6]C[6,6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CH3)(H){1|N<3>,1|N<4>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2H)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[5a,6]C[6,6]C)	107.1350	0.000	1	107.1350	0.000	1	107.1350	0.000	1	107.3628	1.213	12	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CHHN)(H)	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CHHN)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]CH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6,6]C)	108.2430	0.000	1	108.2430	0.000	1	108.2430	0.000	1	107.3628	1.213	12	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:4:1:	4:4:4:1:	4:	N[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CHHO)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6a]CH)(C[6]N[6]HH)(H)	H(C[6]N[6,6a]C[6,6]C)	C[6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CHHO)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6a]CH)(C[6]N[6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]N[6,6a]C[6,6]C)	108.4490	0.000	1	108.4490	0.000	1	108.4490	0.000	1	107.3628	1.213	12	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:4:1:	4:4:4:3:	4:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]C)(CH3)(H)	C[6,6](C[6,6]C[6,6]CO)(C[6]C[5a,6]CH)(C[6]N[6]HH)(COO)	H(C[6]C[5a,6]C[6,6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]C)(CH3)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6,6](C[6,6]C[6,6]CO)(C[6]C[5a,6]CH)(C[6]N[6]HH)(COO){2|C<3>,3|C<4>}	H(C[6]C[5a,6]C[6,6]C)	106.4520	0.000	1	106.4520	0.000	1	106.4520	0.000	1	106.4520	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	3:4:4:1:	4:4:4:4:	4:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2C)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(C[6,6]C[6]2H)(CH3)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2C)(CH3)(H){1|C<3>,1|N<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(C[6,6]C[6]2H)(CH3){2|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6a]C[6,6]C)	106.8700	0.000	1	106.8700	0.000	1	106.8700	0.000	1	106.8700	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	3:2:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	N[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]O[6]H)(O[6]C[6])(H)2	C[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]N[6,6]O[6]H)(O[6]C[6])(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(C[6]O[6]HH)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]O[6]H)	109.1370	0.023	2	109.1370	0.001	2	109.1370	0.001	2	109.1370	0.001	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	3:3:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(O[6]C[6,6a])(H)2	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(O[6]C[6,6a])(H)2{5|C<3>}	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6,6]O[6]H)	109.0747	0.078	4	109.0747	0.006	4	109.0747	0.006	4	109.6956	0.696	16	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	3:3:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(O[6]N[6])(H)2	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6a]O[6])(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]N[6]H)(O[6]N[6])(H)2{1|C<4>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6a]O[6])(C[6]O[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]H)	110.6157	1.330	4	110.6157	1.769	4	110.6157	1.769	4	109.6956	0.696	16	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	3:3:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	N[6,6]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]N[6]H)(O[6]C[6])(H)2	C[6,6](N[6,6]C[6]N[6])(N[6]N[6,6]H)(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]N[6,6]N[6]H)(O[6]C[6])(H)2{1|C<4>,2|N<3>,3|H<1>}	C[6,6](N[6,6]C[6]N[6])(N[6]N[6,6]H)(C[6]O[6]HH)(H){3|C<4>,3|H<1>}	H(C[6]C[6,6]O[6]H)	109.5460	0.028	8	109.5460	0.001	8	109.5460	0.001	8	109.6956	0.696	16	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	3:3:4:2:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]O)(O[6]C[6,6a])(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(C[6]O[6]HH)(OH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6a]C[6,6]O)(O[6]C[6,6a])(H)2{5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(C[6]O[6]HH)(OH){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6]O[6]H)	109.1210	0.000	1	109.1210	0.000	1	109.1210	0.000	1	109.1210	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	3:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]N[6])(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]O[6]HH)(O[6]N[6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]N[6])(H)2{1|C<4>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]O[6]HH)(O[6]N[6])(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]H)	111.2610	0.883	4	111.2610	0.779	4	110.4052	1.833	8	110.4052	1.833	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	3:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]N[6])(H)2	C[6,6](C[6,6]C[6]2)(C[6]O[6]HH)(O[6]N[6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]N[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6,6](C[6,6]C[6]2)(C[6]O[6]HH)(O[6]N[6])(H){1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6,6]O[6]H)	109.2710	2.031	2	109.5495	1.544	4	110.4052	1.833	8	110.4052	1.833	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	3:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]N[6])(H)2	C[6,6](C[6,6]C[6]2)(C[6]O[6]HH)(O[6]N[6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]N[6])(H)2{1|C<4>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]O[6]HH)(O[6]N[6])(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]O[6]H)	109.8280	0.444	2	109.5495	1.544	4	110.4052	1.833	8	110.4052	1.833	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	3:4:3:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6,6]H)(C[6]O[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]H)(C[6]O[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]H)	109.0650	0.020	2	109.0650	0.000	2	109.0650	0.000	2	109.0760	0.101	10	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	3:4:3:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2	C[6,6](N[6,6]N[6,6]C)(C[6]O[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6](N[6,6]N[6,6]C)(C[6]O[6]HH)(C[6]C[6]H)(H){1|H<1>,2|C<4>}	H(C[6]C[6,6]O[6]H)	109.6480	0.000	1	109.6480	0.000	1	109.6480	0.000	1	109.0760	0.101	10	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	3:4:3:1:	4:	C[6,6]-4:S[6]-2:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(S[6]C[6])(H)2	C[6,6](N[6,6]C[6]2)(C[6]S[6]HH)(C[6]N[6]O)(H)	H(C[6]C[6,6]S[6]H)	C[6](C[6,6]N[6,6]C[6]H)(S[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]S[6]HH)(C[6]N[6]O)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6,6]S[6]H)	108.9974	0.299	7	108.9974	0.089	7	108.9974	0.089	7	109.0760	0.101	10	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	3:4:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[5a,6]-3:C[3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]C[3x6]H)(O[6]C[6])(H)2	C[6,6](C[5a,6]N[5a,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[5a,6]C[3x6]H)(O[6]C[6])(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[5a,6]N[5a,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6]O[6]HH)(H){2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]O[6]H)	109.6120	0.020	2	109.6120	0.000	2	109.6120	0.000	2	109.0105	0.251	33	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	3:4:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6]H)(O[6]C[6])(H)2	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]CH)(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[5a,6]C[6,6]H)(O[6]C[6])(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]CH)(C[6]O[6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]O[6]H)	109.2635	0.026	2	109.2635	0.001	2	109.2635	0.001	2	109.0105	0.251	33	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	3:4:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2{1|N<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(C[6]O[6]HH)(H){1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6,6]O[6]H)	107.9320	0.100	3	107.9320	0.010	3	108.7985	0.322	11	109.0105	0.251	33	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	3:4:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6,6]O[6]H)	109.0490	0.049	2	109.1234	0.015	8	108.7985	0.322	11	109.0105	0.251	33	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	3:4:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6]O[6]H)	109.1482	0.133	6	109.1234	0.015	8	108.7985	0.322	11	109.0105	0.251	33	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	3:4:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(O[6]C[6])(H)2	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]3)(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(O[6]C[6])(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]3)(C[6]O[6]HH)(H){3|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6,6]O[6]H)	109.0585	0.066	2	109.0585	0.004	2	109.0585	0.004	2	109.0105	0.251	33	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	3:4:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	N[6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]N[6,6]H)(O[6]C[6])(H)2	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[5,6]N[6,6]H)(O[6]C[6])(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	H(C[6]C[6,6]O[6]H)	108.3295	1.356	2	108.3295	1.837	2	108.3295	1.837	2	109.0105	0.251	33	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	3:4:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	N[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(O[6]C[6])(H)2	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]3)(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(O[6]C[6])(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]3)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,2|N<3>,2|O<1>,4|H<1>}	H(C[6]C[6,6]O[6]H)	109.1200	0.047	2	109.1200	0.002	2	109.1200	0.002	2	109.0105	0.251	33	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	3:4:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]O[6]H)	109.4130	0.050	3	109.4130	0.003	3	109.1497	0.040	12	109.0105	0.251	33	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	3:4:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2{3|C<4>,4|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]O[6]H)	109.2263	0.022	3	109.1704	0.006	5	109.1497	0.040	12	109.0105	0.251	33	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	3:4:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2{3|C<4>,4|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]O[6]H)	109.0865	0.008	2	109.1704	0.006	5	109.1497	0.040	12	109.0105	0.251	33	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	3:4:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2	C[6,6](N[6,6]C[6]S[6])(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2{1|S<4>,2|C<4>,4|H<1>}	C[6,6](N[6,6]C[6]S[6])(C[6]C[6]HH)(C[6]O[6]HH)(H){1|N<2>,2|C<4>,2|O<1>,3|H<1>}	H(C[6]C[6,6]O[6]H)	108.9263	0.033	4	108.9263	0.001	4	109.1497	0.040	12	109.0105	0.251	33	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	3:4:4:2:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(OH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(OH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]O[6]H)	109.3570	0.004	2	109.3570	0.000	2	109.3570	0.000	2	109.3570	0.000	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	3:4:4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[5a,6]-3:C[3x6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5a,6]C[3x6]C)(O[6]C[6])(H)2	C[6,6](C[5a,6]N[5a,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6]O[6]HH)(COO)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[5a,6]C[3x6]C)(O[6]C[6])(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[5a,6]N[5a,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6]O[6]HH)(COO){2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]O[6]H)	109.4295	0.012	2	109.4295	0.000	2	109.4295	0.000	2	109.2365	0.042	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	3:4:4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(H)2	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6,6a]HH)(C[6]O[6]HH)(CCH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(H)2{1|N<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6,6a]HH)(C[6]O[6]HH)(CCH){4|C<3>}	H(C[6]C[6,6]O[6]H)	108.9825	0.022	2	108.9825	0.000	2	108.9825	0.000	2	109.2365	0.042	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	3:4:4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(C[6]O[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(C[6]O[6]HH)(C[6]C[6]H){1|C<3>,3|H<1>,5|C<4>}	H(C[6]C[6,6]O[6]H)	109.2975	0.005	2	109.2975	0.000	2	109.2975	0.000	2	109.2365	0.042	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	3:4:4:4:	4:	C[6,6]-4:H[6]-2:H-1:H-1:	C[3x6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(H[6]C[3x4,6])(H)2	C[6,6](C[3x6]C[4,4,6,6]C[6,6])(C[6]C[6]HH)(C[6]H[6]HH)(CH3)	H(C[6]C[6,6]H[6]H)	C[6](C[6,6]C[3x6]C[6]C)(H[6]C[3x4,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[4,4,6,6]C[6,6])(C[6]C[6]HH)(C[6]H[6]HH)(CH3){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]H[6]H)	109.0080	1.127	2	109.0080	1.270	2	109.0080	1.270	2	108.8873	1.548	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	3:4:4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]C)(O[6]Si[6])(H)2	C[6,6](N[6,6]C[6]2)(C[6]O[6]HH)2(CHHO)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]N[6,6]C[6]C)(O[6]Si[6])(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6,6](N[6,6]C[6]2)(C[6]O[6]HH)2(CHHO){2|Si<4>,4|H<1>}	H(C[6]C[6,6]O[6]H)	108.8270	1.463	4	108.8270	2.142	4	108.8270	2.142	4	108.8873	1.548	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:2:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6,6a])(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(O[6]C[6,6a])(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(O[6]C[6,6a])(C[6]O[6]HH)(H){1|N<3>,4|C<3>}	H(C[6]C[6,6]O[6]H)	108.8860	0.010	2	109.2141	0.032	12	109.2034	0.028	14	109.2034	0.028	14	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:2:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6,6a])(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(O[6]C[6,6a])(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(O[6]C[6,6a])(C[6]O[6]HH)(H){1|O<1>,4|C<3>}	H(C[6]C[6,6]O[6]H)	109.2797	0.102	10	109.2141	0.032	12	109.2034	0.028	14	109.2034	0.028	14	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:2:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6,6a])(H)2	C[6,6](C[6,6]C[6,6a]C[6]O)(O[6]C[6,6a])(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6,6a])(H)2{1|O<2>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]O)(O[6]C[6,6a])(C[6]O[6]HH)(H){1|O<1>,4|C<3>}	H(C[6]C[6,6]O[6]H)	109.1395	0.022	2	109.1395	0.000	2	109.2034	0.028	14	109.2034	0.028	14	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:3:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]O)(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,5|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]O)(C[6]O[6]HH)(H){4|C<4>,4|H<1>}	H(C[6]C[6,6]O[6]H)	109.1680	0.006	2	109.1680	0.000	2	109.3323	0.036	4	109.3839	0.457	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:3:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]O[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]O[6]H)	109.4965	0.021	2	109.4965	0.000	2	109.3323	0.036	4	109.3839	0.457	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:3:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]O[6]H)	109.9330	1.442	2	109.9330	2.081	2	109.9330	2.081	2	109.3839	0.457	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:3:4:1:	4:	C[6,6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6])(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]S[6]HH)(H)	H(C[6]C[6,6]S[6]H)	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6])(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]S[6]HH)(H){1|C<4>,1|H<1>,3|C<2>,3|C<3>}	H(C[6]C[6,6]S[6]H)	108.9380	0.014	2	108.9380	0.000	2	108.9380	0.000	2	109.3839	0.457	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:3:4:2:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[5,3x6]-4:C[6a]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6a]O[6])(O[6]C[5,6])(H)2	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[6a]C[6a]2)(C[6]O[6]HH)(O[6]C[6])	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[5,3x6]C[6a]O[6])(O[6]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[6a]C[6a]2)(C[6]O[6]HH)(O[6]C[6]){1|O<2>,3|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6]O[6]H)	108.6830	0.018	2	108.6830	0.000	2	108.6830	0.000	2	108.6830	0.000	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:3:4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]C[6,6a])(H)2	C[6,6](C[6]C[6,6]HH)(C[6]C[6,6a]O)(C[6]O[6]HH)(C[6]C[6]O)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]C[6,6a])(H)2{2|H<1>,2|O<1>,4|C<3>}	C[6,6](C[6]C[6,6]HH)(C[6]C[6,6a]O)(C[6]O[6]HH)(C[6]C[6]O){5|C<3>}	H(C[6]C[6,6]O[6]H)	109.2465	0.025	2	109.2465	0.001	2	109.2465	0.001	2	109.2465	0.001	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:3:4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]O[6]HH)(CH3)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]O[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]O[6]H)	108.7580	0.055	4	108.7945	0.005	6	108.7945	0.005	6	108.7945	0.005	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:3:4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]O[6]HH)(CH3)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]O[6]HH)(CH3){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]O[6]H)	108.8675	0.035	2	108.7945	0.005	6	108.7945	0.005	6	108.7945	0.005	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6])(H)2	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6])(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|H<1>,1|N<4>,1|O<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	107.2285	5.670	2	107.2285	32.152	2	107.2285	32.152	2	109.9523	1.421	214	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6,6a])(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]HH)(O[6]C[6,6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]HH)(O[6]C[6,6])(H){1|C<4>,1|O<1>,3|C<3>}	H(C[6]C[6,6]O[6]H)	109.4917	0.061	4	109.4917	0.004	4	109.9780	1.211	212	109.9523	1.421	214	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[3,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[3,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,1|S<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]H)	110.0280	0.065	2	110.0280	0.004	2	109.9780	1.211	212	109.9523	1.421	214	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[5,5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|H<1>,2|C<4>,3|O<2>}	H(C[6]C[6,6]O[6]H)	110.0383	0.071	6	110.0383	0.005	6	109.9780	1.211	212	109.9523	1.421	214	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	H(C[6]C[6,6]O[6]H)	110.3500	0.045	4	110.1857	0.470	25	109.9780	1.211	212	109.9523	1.421	214	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]O[6]H)	110.1645	0.029	2	110.1857	0.470	25	109.9780	1.211	212	109.9523	1.421	214	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]H)	110.1810	0.095	4	110.1857	0.470	25	109.9780	1.211	212	109.9523	1.421	214	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]O[6]H)	111.9730	1.209	2	110.1857	0.470	25	109.9780	1.211	212	109.9523	1.421	214	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]O[6]H)	109.7590	0.612	4	110.1857	0.470	25	109.9780	1.211	212	109.9523	1.421	214	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[6,6]O[6]H)	110.0585	0.025	2	110.1857	0.470	25	109.9780	1.211	212	109.9523	1.421	214	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]O[6]H)	109.6268	0.223	4	110.1857	0.470	25	109.9780	1.211	212	109.9523	1.421	214	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]O[6]H)	110.1943	0.077	3	110.1857	0.470	25	109.9780	1.211	212	109.9523	1.421	214	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[5a,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[5a,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6]O[6]H)	109.9255	0.040	2	109.9255	0.002	2	109.9780	1.211	212	109.9523	1.421	214	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]O[6]H)	107.6885	0.911	2	107.6885	0.831	2	109.9780	1.211	212	109.9523	1.421	214	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[5,6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[5,6])(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]O[6]H)	110.0105	0.018	2	110.0610	0.008	8	109.9780	1.211	212	109.9523	1.421	214	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[5,6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[5,6])(H){3|C<4>,3|H<1>}	H(C[6]C[6,6]O[6]H)	110.0778	0.100	6	110.0610	0.008	8	109.9780	1.211	212	109.9523	1.421	214	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6,6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6,6])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]O[6]H)	109.8990	0.190	8	109.8990	0.036	8	109.9780	1.211	212	109.9523	1.421	214	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<2>,1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|N<2>,1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]H)	110.0940	0.000	1	110.0519	1.518	143	109.9780	1.211	212	109.9523	1.421	214	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<2>,1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]O[6]H)	110.0412	0.031	4	110.0519	1.518	143	109.9780	1.211	212	109.9523	1.421	214	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]H)	109.4468	0.514	6	110.0519	1.518	143	109.9780	1.211	212	109.9523	1.421	214	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]H)	110.2180	0.041	2	110.0519	1.518	143	109.9780	1.211	212	109.9523	1.421	214	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|N<4>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]H)	109.9829	0.618	13	110.0519	1.518	143	109.9780	1.211	212	109.9523	1.421	214	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]H)	109.9893	1.435	3	110.0519	1.518	143	109.9780	1.211	212	109.9523	1.421	214	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,1|S<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]H)	110.2416	0.191	7	110.0519	1.518	143	109.9780	1.211	212	109.9523	1.421	214	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]H)	109.8930	0.161	3	110.0519	1.518	143	109.9780	1.211	212	109.9523	1.421	214	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]O[6]H)	110.1470	0.020	2	110.0519	1.518	143	109.9780	1.211	212	109.9523	1.421	214	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]O[6]H)	109.9569	0.705	38	110.0519	1.518	143	109.9780	1.211	212	109.9523	1.421	214	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]O[6]H)	110.2818	0.130	4	110.0519	1.518	143	109.9780	1.211	212	109.9523	1.421	214	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]O[6]H)	109.7290	0.017	2	110.0519	1.518	143	109.9780	1.211	212	109.9523	1.421	214	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]H)	109.9370	0.000	1	110.0519	1.518	143	109.9780	1.211	212	109.9523	1.421	214	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	H(C[6]C[6,6]O[6]H)	109.9865	0.009	2	110.0519	1.518	143	109.9780	1.211	212	109.9523	1.421	214	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]O[6]H)	110.0075	0.035	2	110.0519	1.518	143	109.9780	1.211	212	109.9523	1.421	214	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|F<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]H)	109.4200	0.051	3	110.0519	1.518	143	109.9780	1.211	212	109.9523	1.421	214	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]O[6]H)	110.1577	0.145	3	110.0519	1.518	143	109.9780	1.211	212	109.9523	1.421	214	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]O[6]H)	110.3120	0.059	2	110.0519	1.518	143	109.9780	1.211	212	109.9523	1.421	214	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]H)	111.4335	2.676	2	110.0519	1.518	143	109.9780	1.211	212	109.9523	1.421	214	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]H)	110.1791	2.746	23	110.0519	1.518	143	109.9780	1.211	212	109.9523	1.421	214	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]O[6]H)	110.4347	1.118	4	110.0519	1.518	143	109.9780	1.211	212	109.9523	1.421	214	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]O[6]H)	110.1046	0.124	16	110.0519	1.518	143	109.9780	1.211	212	109.9523	1.421	214	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]N[6])(H)2	C[6,6](C[6,6]C[6]2O)(C[6]O[6]HH)(O[6]N[6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]N[6])(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]O[6]HH)(O[6]N[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6,6]O[6]H)	108.8895	0.855	2	108.8895	0.731	2	109.9780	1.211	212	109.9523	1.421	214	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]P[6])(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6,6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]P[6])(H)2{1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6,6])(H){1|C<4>,1|N<3>,1|O<2>,1|P<4>,2|H<1>}	H(C[6]C[6,6]O[6]H)	109.2205	0.009	2	109.2205	0.000	2	109.9780	1.211	212	109.9523	1.421	214	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]S[6])(H)2	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[3,6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]S[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[3,6])(H){1|O<2>,1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]H)	109.5315	0.158	2	109.5315	0.025	2	109.9780	1.211	212	109.9523	1.421	214	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]Si[6])(H)2	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[5,6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]Si[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[5,6])(H){1|Si<4>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6,6]O[6]H)	108.9535	0.170	2	108.9535	0.029	2	109.9780	1.211	212	109.9523	1.421	214	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]Si[6])(H)2	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]Si[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|Si<4>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]H)	109.4380	2.216	2	109.4380	4.911	2	109.9780	1.211	212	109.9523	1.421	214	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]Si[6])(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]Si[6])(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]H)	109.0245	0.008	2	109.0245	0.000	2	109.9780	1.211	212	109.9523	1.421	214	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:2:2:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]O[6]HH)(O[6]C[6,6])(OH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]O)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]O[6]HH)(O[6]C[6,6])(OH){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]O[6]H)	109.2720	0.000	1	109.2720	0.000	1	109.2720	0.000	1	109.2720	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:3:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[3x6])(H)2	C[6,6](C[3x6]C[4x6]C[6]H)(C[6]O[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[3x6])(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[4x6]C[6]H)(C[6]O[6]HH)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]O[6]H)	109.5620	0.000	1	109.5620	0.000	1	109.5620	0.000	1	109.3997	0.114	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:3:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(O[6]C[5,6])(H)2	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]O[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(O[6]C[5,6])(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]O[6]HH)(C[6]C[6]O)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]O[6]H)	108.9610	0.006	2	108.9610	0.000	2	108.9610	0.000	2	109.3997	0.114	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:3:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2{2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]HH)(C[6]C[6]H)(H){1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6]O[6]H)	109.2458	0.095	4	109.2458	0.009	4	109.3185	0.018	6	109.3997	0.114	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:3:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6]2H)(C[6]O[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]O[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]O[6]H)	109.4640	0.011	2	109.4640	0.000	2	109.3185	0.018	6	109.3997	0.114	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:3:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(O[6]C[6,6a])(H)2	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]O[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]N[6]H)(O[6]C[6,6a])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]O[6]HH)(N[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]O[6]H)	109.5290	0.021	2	109.5290	0.000	2	109.6002	0.164	6	109.3997	0.114	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:3:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]O[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]N[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]O[6]HH)(N[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]O[6]H)	109.1880	0.028	2	109.1880	0.001	2	109.6002	0.164	6	109.3997	0.114	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:3:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(N[6]C[6]S)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]N[6]H)(O[6]C[6])(H)2{1|O<2>,1|S<4>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(N[6]C[6]S)(H){2|C<4>,4|H<1>}	H(C[6]C[6,6]O[6]H)	110.0835	0.022	2	110.0835	0.000	2	109.6002	0.164	6	109.3997	0.114	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:3:2:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]O[6])(O[6]C[6])(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(N[6]C[6]2)(O[6]C[6])	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]N[6]O[6])(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(N[6]C[6]2)(O[6]C[6]){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]O[6]H)	109.1435	0.039	2	109.1435	0.002	2	109.1435	0.002	2	109.1435	0.002	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6])(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HN)(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6])(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HN)(C[6]O[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]O[6]H)	108.9385	0.207	4	108.9385	0.043	4	109.2336	0.083	10	109.0342	0.567	96	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6])(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6,6]O[6]H)	109.4838	0.012	4	109.4303	0.007	6	109.2336	0.083	10	109.0342	0.567	96	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6])(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6])(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]O[6]H)	109.3235	0.016	2	109.4303	0.007	6	109.2336	0.083	10	109.0342	0.567	96	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[4x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[4x6]C[6]H)(O[6]C[3x6])(H)2	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[4x6]C[6]H)(O[6]C[3x6])(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]O[6]H)	109.1220	0.034	2	109.1220	0.001	2	109.1220	0.001	2	109.0342	0.567	96	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(O[6]C[6])(H)2	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H){1|N<2>,2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]O[6]H)	108.1350	0.033	2	108.1350	0.001	2	108.1350	0.001	2	109.0342	0.567	96	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(O[6]C[6])(H)2	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]HH)(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(O[6]C[6])(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]HH)(C[6]O[6]HH)(H){1|C<4>,4|C<3>}	H(C[6]C[6,6]O[6]H)	109.2448	0.091	4	109.2448	0.008	4	109.2448	0.008	4	109.0342	0.567	96	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[5x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5x6]C[6]H)(O[6]C[6])(H)2	C[6,6](C[5x6]C[3x6]2C[6,6])(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[5x6]C[6]H)(O[6]C[6])(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5x6]C[3x6]2C[6,6])(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6]O[6]H)	110.9230	2.703	2	110.9230	7.304	2	110.9230	7.304	2	109.0342	0.567	96	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]O[6]H)	109.1165	0.056	2	109.3088	0.024	6	109.3088	0.024	6	109.0342	0.567	96	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(H)2{1|N<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]O[6]H)	109.3825	0.045	2	109.3088	0.024	6	109.3088	0.024	6	109.0342	0.567	96	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]O[6]H)	109.4275	0.057	2	109.3088	0.024	6	109.3088	0.024	6	109.0342	0.567	96	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5,6])(H)2	C[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5,6])(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]O[6]H)	109.2800	4.913	2	109.2800	24.137	2	109.0425	0.552	55	109.0342	0.567	96	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2	C[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(H){6|C<3>}	H(C[6]C[6,6]O[6]H)	109.4685	0.015	2	109.4685	0.000	2	109.0425	0.552	55	109.0342	0.567	96	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2	C[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]O[6]CC)(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2{1|O<2>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]O[6]CC)(C[6]O[6]HH)(H){4|C<3>}	H(C[6]C[6,6]O[6]H)	108.8948	0.089	4	108.8948	0.008	4	109.0425	0.552	55	109.0342	0.567	96	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(H){6|C<3>}	H(C[6]C[6,6]O[6]H)	109.0890	0.309	4	109.0890	0.095	4	109.0425	0.552	55	109.0342	0.567	96	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2	C[6,6](C[6,6]C[6,6a]2H)(C[6]O[6]CC)(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[6,6a]2H)(C[6]O[6]CC)(C[6]O[6]HH)(H){4|C<3>}	H(C[6]C[6,6]O[6]H)	108.5390	0.045	2	108.5390	0.002	2	109.0425	0.552	55	109.0342	0.567	96	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2	C[6,6](C[6,6]C[6,6a]2H)(C[6]O[6]HH)2(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2{1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]2H)(C[6]O[6]HH)2(H){4|C<3>}	H(C[6]C[6,6]O[6]H)	109.1325	0.094	8	109.1325	0.009	8	109.0425	0.552	55	109.0342	0.567	96	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CC)(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CC)(C[6]O[6]HH)(H){4|C<3>}	H(C[6]C[6,6]O[6]H)	108.7533	0.038	4	108.7533	0.001	4	109.0425	0.552	55	109.0342	0.567	96	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]CC)(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]CC)(C[6]O[6]HH)(H){1|H<1>,3|C<3>}	H(C[6]C[6,6]O[6]H)	109.3320	0.000	1	109.3320	0.000	1	109.0425	0.552	55	109.0342	0.567	96	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6,6a]CC)(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6,6a]CC)(C[6]O[6]HH)(H){1|H<1>,4|C<3>}	H(C[6]C[6,6]O[6]H)	109.2508	0.182	6	109.2508	0.033	6	109.0425	0.552	55	109.0342	0.567	96	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(H){1|H<1>,6|C<3>}	H(C[6]C[6,6]O[6]H)	109.1625	0.022	2	109.1625	0.000	2	109.0425	0.552	55	109.0342	0.567	96	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(H){2|H<1>,4|C<4>}	H(C[6]C[6,6]O[6]H)	109.4191	0.146	8	109.4191	0.021	8	109.0425	0.552	55	109.0342	0.567	96	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]O[6]HH)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]O[6]H)	108.6457	0.177	6	108.6457	0.031	6	109.0425	0.552	55	109.0342	0.567	96	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]O[6]H)	108.8290	0.008	2	108.7275	0.056	6	109.0425	0.552	55	109.0342	0.567	96	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6]O[6]H)	108.9265	0.018	2	108.7275	0.056	6	109.0425	0.552	55	109.0342	0.567	96	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H){2|C<3>,5|H<1>}	H(C[6]C[6,6]O[6]H)	108.4270	0.030	2	108.7275	0.056	6	109.0425	0.552	55	109.0342	0.567	96	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2	C[6,6](N[6,6]C[6,6]HH)(C[6]O[6]HH)2(H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2{1|C<4>,1|O<2>,6|H<1>}	C[6,6](N[6,6]C[6,6]HH)(C[6]O[6]HH)2(H){1|H<1>,2|C<4>}	H(C[6]C[6,6]O[6]H)	109.0537	0.034	3	109.0537	0.001	3	109.0537	0.001	3	109.0342	0.567	96	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:1:	4:	C[6,6]-4:S[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[5a,6])(H)2	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]O[6]CC)(C[6]S[6]HH)(H)	H(C[6]C[6,6]S[6]H)	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[5a,6])(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]O[6]CC)(C[6]S[6]HH)(H){4|C<3>}	H(C[6]C[6,6]S[6]H)	108.0210	0.014	2	108.0210	0.000	2	108.4382	0.163	12	109.0342	0.567	96	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:1:	4:	C[6,6]-4:S[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6,6a])(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6a]C[6]H)(C[6]S[6]HH)(H)	H(C[6]C[6,6]S[6]H)	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6,6a])(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6a]C[6]H)(C[6]S[6]HH)(H){2|H<1>,6|C<3>}	H(C[6]C[6,6]S[6]H)	109.0160	0.000	1	109.0160	0.000	1	108.4382	0.163	12	109.0342	0.567	96	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:1:	4:	C[6,6]-4:S[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6,6a])(H)2	C[6,6](C[6,6]C[6,6a]O[6]N)(C[6]C[6,6a]CH)(C[6]S[6]HH)(H)	H(C[6]C[6,6]S[6]H)	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6,6a])(H)2{1|C<2>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6,6a]O[6]N)(C[6]C[6,6a]CH)(C[6]S[6]HH)(H){4|C<3>}	H(C[6]C[6,6]S[6]H)	109.0290	0.438	2	109.0290	0.192	2	108.4382	0.163	12	109.0342	0.567	96	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:1:	4:	C[6,6]-4:S[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6])(H)2	C[6,6](C[6,6]C[6,6]CH)(C[6]N[6]HH)(C[6]S[6]HH)(H)	H(C[6]C[6,6]S[6]H)	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6])(H)2{1|C<2>,1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]CH)(C[6]N[6]HH)(C[6]S[6]HH)(H){1|H<1>,3|C<4>}	H(C[6]C[6,6]S[6]H)	108.2723	0.153	3	108.2723	0.023	3	108.4382	0.163	12	109.0342	0.567	96	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:1:	4:	C[6,6]-4:S[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6])(H)2	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]S[6]HH)(H)	H(C[6]C[6,6]S[6]H)	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6])(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]S[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]S[6]H)	108.3312	0.125	4	108.3312	0.016	4	108.4382	0.163	12	109.0342	0.567	96	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:2:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(H)2	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(CN)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(H)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(CN){6|C<3>}	H(C[6]C[6,6]O[6]H)	109.2170	0.136	4	109.2170	0.018	4	109.3515	0.030	8	109.2389	0.080	10	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:2:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(H)2	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(CN)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(H)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(CN){6|C<3>}	H(C[6]C[6,6]O[6]H)	109.4860	0.065	4	109.4860	0.004	4	109.3515	0.030	8	109.2389	0.080	10	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:2:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[5,6])(H)2	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]HH)(C[6]O[6]HH)(OH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[5,6])(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]HH)(C[6]O[6]HH)(OH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]H)	108.7885	0.008	2	108.7885	0.000	2	108.7885	0.000	2	109.2389	0.080	10	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6])(H)2	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(COO)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6])(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(COO){4|C<4>,4|H<1>}	H(C[6]C[6,6]O[6]H)	109.2355	0.018	2	109.2355	0.000	2	109.2355	0.000	2	109.0709	0.457	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[4x6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[4x6]C[6]2)(O[6]C[6])(H)2	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(C[6]O[6]HH)(C[6]C[6]O)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[4x6]C[6]2)(O[6]C[6])(H)2{2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(C[6]O[6]HH)(C[6]C[6]O){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]O[6]H)	108.9735	0.062	2	108.6131	0.106	8	108.6131	0.106	8	109.0709	0.457	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[4x6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[4x6]C[6]2)(O[6]C[6])(H)2	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(C[6]O[6]HH)(C[6]C[6]O)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[4x6]C[6]2)(O[6]C[6])(H)2{2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(C[6]O[6]HH)(C[6]C[6]O){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]O[6]H)	108.4060	0.315	4	108.6131	0.106	8	108.6131	0.106	8	109.0709	0.457	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[4x6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[4x6]C[6]2)(O[6]C[6])(H)2	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(C[6]O[6]HH)(C[6]C[6]O)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[4x6]C[6]2)(O[6]C[6])(H)2{2|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(C[6]O[6]HH)(C[6]C[6]O){1|O<1>,3|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]O[6]H)	108.6670	0.042	2	108.6131	0.106	8	108.6131	0.106	8	109.0709	0.457	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CCH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CCH){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]O[6]H)	109.5680	0.013	2	109.5680	0.000	2	109.5680	0.000	2	109.0709	0.457	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(H)2	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(COO)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(H)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(COO){6|C<3>}	H(C[6]C[6,6]O[6]H)	108.8533	0.227	6	108.8533	0.051	6	109.1958	0.707	20	109.0709	0.457	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(H)2	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(COO)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(H)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(COO){6|C<3>}	H(C[6]C[6,6]O[6]H)	109.4846	1.115	10	109.4846	1.242	10	109.1958	0.707	20	109.0709	0.457	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(H)2	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(COO)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(H)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(COO){6|C<3>}	H(C[6]C[6,6]O[6]H)	109.2560	0.024	2	109.2560	0.001	2	109.1958	0.707	20	109.0709	0.457	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(CCH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(CCH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6,6]O[6]H)	108.7190	0.010	2	108.7190	0.000	2	109.1958	0.707	20	109.0709	0.457	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]O[6]HH)(C[6]C[6]O)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2{1|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]O[6]HH)(C[6]C[6]O){2|C<3>,3|H<1>,5|C<4>}	H(C[6]C[6,6]O[6]H)	109.5150	0.000	1	109.3813	0.014	3	109.3813	0.014	3	109.0709	0.457	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]O[6]HH)(C[6]C[6]O)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2{2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]O[6]HH)(C[6]C[6]O){3|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]O[6]H)	109.3145	0.037	2	109.3813	0.014	3	109.3813	0.014	3	109.0709	0.457	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(O[6]C[6,6a])(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]O[6]HH)(NOO)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]N)(O[6]C[6,6a])(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]O[6]HH)(NOO){1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[6,6]O[6]H)	109.4230	0.000	1	109.0680	0.095	3	109.0680	0.095	3	109.0709	0.457	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(O[6]C[6,6a])(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]O[6]HH)(NOO)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]N)(O[6]C[6,6a])(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]O[6]HH)(NOO){4|H<1>,5|C<3>}	H(C[6]C[6,6]O[6]H)	108.8905	0.008	2	109.0680	0.095	3	109.0680	0.095	3	109.0709	0.457	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(H)2	C[6,6](C[6]N[6,6a]C[6a]H)(C[6,6]C[6,6a]2H)(C[6]O[6]HH)(COO)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(H)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6](C[6]N[6,6a]C[6a]H)(C[6,6]C[6,6a]2H)(C[6]O[6]HH)(COO){7|C<3>}	H(C[6]C[6,6]O[6]H)	108.5305	0.059	2	108.5305	0.003	2	108.5305	0.003	2	109.0709	0.457	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[6,6]-4:N[6]-2:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6])(H)2	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6])(H)2{3|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	107.8695	0.018	2	107.8695	0.000	2	107.8695	0.000	2	109.4048	0.443	315	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[3,3x6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,3x6]C[6]2)(O[6]C[6])(H)2	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(C[6]O[6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[3,3x6]C[6]2)(O[6]C[6])(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(C[6]O[6]HH){1|C<3>,5|H<1>,6|C<4>}	H(C[6]C[6,6]O[6]H)	108.1450	0.017	2	108.1450	0.000	2	108.1450	0.000	2	109.4048	0.443	315	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]2)(O[6]C[6])(H)2	C[6,6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[5,6]C[6]2)(O[6]C[6])(H)2{1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(C[6]O[6]HH){1|C<3>,1|N<3>,3|C<4>,8|H<1>}	H(C[6]C[6,6]O[6]H)	109.3620	0.014	2	109.3620	0.000	2	109.3620	0.000	2	109.4048	0.443	315	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C[6])(O[6]C[6])(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[5,6]C[6,6]C[6])(O[6]C[6])(H)2{1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH){1|C<3>,1|O<1>,2|O<2>,3|H<1>,6|C<4>}	H(C[6]C[6,6]O[6]H)	109.1020	0.134	4	109.2100	0.019	12	109.2100	0.019	12	109.4048	0.443	315	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C[6])(O[6]C[6])(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[5,6]C[6,6]C[6])(O[6]C[6])(H)2{1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH){1|O<1>,1|O<2>,2|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]O[6]H)	109.1390	0.034	2	109.2100	0.019	12	109.2100	0.019	12	109.4048	0.443	315	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C[6])(O[6]C[6])(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[5,6]C[6,6]C[6])(O[6]C[6])(H)2{1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH){1|O<1>,2|C<3>,2|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]O[6]H)	109.2548	0.074	4	109.2100	0.019	12	109.2100	0.019	12	109.4048	0.443	315	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C[6])(O[6]C[6])(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[5,6]C[6,6]C[6])(O[6]C[6])(H)2{1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH){1|O<2>,3|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]O[6]H)	109.4075	0.012	2	109.2100	0.019	12	109.2100	0.019	12	109.4048	0.443	315	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6]O[6]HH)(CH3)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2{1|N<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6]O[6]HH)(CH3){5|C<4>,5|H<1>}	H(C[6]C[6,6]O[6]H)	109.3440	0.000	1	109.3440	0.000	1	109.6505	0.327	30	109.4048	0.443	315	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(CH3)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]O[6]H)	108.4340	0.030	2	108.7103	0.107	4	109.6505	0.327	30	109.4048	0.443	315	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(CH3)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6]O[6]H)	108.9865	0.118	2	108.7103	0.107	4	109.6505	0.327	30	109.4048	0.443	315	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CH3)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CH3){4|H<1>,5|C<4>}	H(C[6]C[6,6]O[6]H)	110.3600	0.956	4	109.8132	0.203	25	109.6505	0.327	30	109.4048	0.443	315	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CH3)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CH3){4|H<1>,5|C<4>}	H(C[6]C[6,6]O[6]H)	109.7561	0.154	18	109.8132	0.203	25	109.6505	0.327	30	109.4048	0.443	315	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CH3)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CH3){4|H<1>,5|C<4>}	H(C[6]C[6,6]O[6]H)	109.4273	0.131	3	109.8132	0.203	25	109.6505	0.327	30	109.4048	0.443	315	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(CH3)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(CH3){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]O[6]H)	108.7454	0.104	5	108.7454	0.011	5	108.9509	0.065	9	109.4048	0.443	315	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]O[6]HH)(CH3)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]O[6]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]O[6]H)	109.2155	0.005	2	109.2155	0.000	2	108.9509	0.065	9	109.4048	0.443	315	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(CHHN)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(H)2{1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(CHHN){2|C<4>,4|H<1>}	H(C[6]C[6,6]O[6]H)	109.2000	0.007	2	109.2000	0.000	2	108.9509	0.065	9	109.4048	0.443	315	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2{1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(C[6]O[6]HH){2|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]O[6]H)	109.2955	0.008	2	109.2955	0.000	2	109.0246	0.157	10	109.4048	0.443	315	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(C[6]O[6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(C[6]O[6]HH){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	H(C[6]C[6,6]O[6]H)	108.5670	0.004	2	108.5670	0.000	2	109.0246	0.157	10	109.4048	0.443	315	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH)2	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2{1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH)2{4|H<1>,5|C<4>}	H(C[6]C[6,6]O[6]H)	109.3397	0.132	4	109.3397	0.017	4	109.0246	0.157	10	109.4048	0.443	315	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2{1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(C[6]O[6]HH){2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]O[6]H)	108.5810	0.006	2	108.5810	0.000	2	109.0246	0.157	10	109.4048	0.443	315	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]B[6])(H)2	C[6,6](C[6]O[6]HH)4	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]B[6])(H)2{1|C<3>,3|O<2>,6|H<1>}	C[6,6](C[6]O[6]HH)4{2|B<3>}	H(C[6]C[6,6]O[6]H)	109.1423	0.179	8	109.1123	0.160	34	109.4852	0.432	237	109.4048	0.443	315	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]B[6])(H)2	C[6,6](C[6]O[6]HH)4	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]B[6])(H)2{1|C<4>,3|O<2>,6|H<1>}	C[6,6](C[6]O[6]HH)4{2|B<3>}	H(C[6]C[6,6]O[6]H)	109.0353	0.494	20	109.1123	0.160	34	109.4852	0.432	237	109.4048	0.443	315	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]B[6])(H)2	C[6,6](C[6]O[6]HH)4	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]B[6])(H)2{1|Fe<8>,3|O<2>,6|H<1>}	C[6,6](C[6]O[6]HH)4{2|B<3>}	H(C[6]C[6,6]O[6]H)	109.3287	0.018	6	109.1123	0.160	34	109.4852	0.432	237	109.4048	0.443	315	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]C[5,6])(H)2	C[6,6](C[6]O[6]HH)4	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]C[5,6])(H)2{2|C<4>,3|O<2>,6|H<1>}	C[6,6](C[6]O[6]HH)4{2|C<4>}	H(C[6]C[6,6]O[6]H)	109.4980	0.215	4	109.4980	0.046	4	109.4852	0.432	237	109.4048	0.443	315	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]C[6,6])(H)2	C[6,6](C[6]C[6]HH)2(C[6]O[6]HH)2	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]C[6,6])(H)2{1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6]C[6]HH)2(C[6]O[6]HH)2{2|C<4>,4|H<1>}	H(C[6]C[6,6]O[6]H)	109.3136	0.134	8	109.3136	0.018	8	109.4852	0.432	237	109.4048	0.443	315	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]C[6,6])(H)2	C[6,6](C[6]O[6]HH)4	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]C[6,6])(H)2{2|C<4>,3|O<2>,6|H<1>}	C[6,6](C[6]O[6]HH)4{2|C<4>}	H(C[6]C[6,6]O[6]H)	109.3434	0.138	26	109.3434	0.019	26	109.4852	0.432	237	109.4048	0.443	315	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]C[6])(H)2	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]O[6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]C[6])(H)2{1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]O[6]HH){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]O[6]H)	110.1860	1.465	2	110.1860	2.147	2	109.4852	0.432	237	109.4048	0.443	315	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]C[6])(H)2	C[6,6](C[6]O[6]HH)4	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]C[6])(H)2{1|C<3>,1|C<4>,3|O<2>,6|H<1>}	C[6,6](C[6]O[6]HH)4{2|C<4>}	H(C[6]C[6,6]O[6]H)	109.5223	0.055	6	109.4570	0.018	87	109.4852	0.432	237	109.4048	0.443	315	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]C[6])(H)2	C[6,6](C[6]O[6]HH)4	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]C[6])(H)2{1|C<3>,3|O<2>,7|H<1>}	C[6,6](C[6]O[6]HH)4{2|C<4>}	H(C[6]C[6,6]O[6]H)	109.4471	0.143	62	109.4570	0.018	87	109.4852	0.432	237	109.4048	0.443	315	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]C[6])(H)2	C[6,6](C[6]O[6]HH)4	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]C[6])(H)2{1|C<4>,3|O<2>,7|H<1>}	C[6,6](C[6]O[6]HH)4{2|C<4>}	H(C[6]C[6,6]O[6]H)	109.4020	0.128	4	109.4570	0.018	87	109.4852	0.432	237	109.4048	0.443	315	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]C[6])(H)2	C[6,6](C[6]O[6]HH)4	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]C[6])(H)2{2|C<3>,3|O<2>,6|H<1>}	C[6,6](C[6]O[6]HH)4{2|C<4>}	H(C[6]C[6,6]O[6]H)	109.4668	0.107	12	109.4570	0.018	87	109.4852	0.432	237	109.4048	0.443	315	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]C[6])(H)2	C[6,6](C[6]O[6]HH)4	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]C[6])(H)2{2|C<4>,3|O<2>,6|H<1>}	C[6,6](C[6]O[6]HH)4{1|C<4>,1|S<3>}	H(C[6]C[6,6]O[6]H)	109.5660	0.029	3	109.4570	0.018	87	109.4852	0.432	237	109.4048	0.443	315	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]P[6,6])(H)2	C[6,6](C[6]O[6]HH)4	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]P[6,6])(H)2{2|N<2>,3|O<2>,6|H<1>}	C[6,6](C[6]O[6]HH)4{2|P<4>}	H(C[6]C[6,6]O[6]H)	109.8396	1.266	31	109.8396	1.603	31	109.4852	0.432	237	109.4048	0.443	315	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]P[6])(H)2	C[6,6](C[6]O[6]HH)4	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]P[6])(H)2{1|C<4>,1|O<1>,3|O<2>,6|H<1>}	C[6,6](C[6]O[6]HH)4{2|P<4>}	H(C[6]C[6,6]O[6]H)	109.8869	1.336	18	109.7834	1.245	26	109.4852	0.432	237	109.4048	0.443	315	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]P[6])(H)2	C[6,6](C[6]O[6]HH)4	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]P[6])(H)2{1|Cl<1>,1|O<1>,3|O<2>,6|H<1>}	C[6,6](C[6]O[6]HH)4{2|P<4>}	H(C[6]C[6,6]O[6]H)	109.5505	0.153	8	109.7834	1.245	26	109.4852	0.432	237	109.4048	0.443	315	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]S[6])(H)2	C[6,6](C[6]O[6]HH)4	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]S[6])(H)2{1|O<1>,3|O<2>,6|H<1>}	C[6,6](C[6]O[6]HH)4{1|C<4>,1|S<3>}	H(C[6]C[6,6]O[6]H)	109.4260	0.031	4	109.4857	0.020	19	109.4852	0.432	237	109.4048	0.443	315	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]S[6])(H)2	C[6,6](C[6]O[6]HH)4	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]S[6])(H)2{1|O<1>,3|O<2>,6|H<1>}	C[6,6](C[6]O[6]HH)4{2|S<3>}	H(C[6]C[6,6]O[6]H)	109.5017	0.157	15	109.4857	0.020	19	109.4852	0.432	237	109.4048	0.443	315	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[6,6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(S[6]C[6,6])(H)2	C[6,6](C[6]S[6]HH)4	H(C[6]C[6,6]S[6]H)	C[6](C[6,6]C[6]3)(S[6]C[6,6])(H)2{2|C<4>,3|S<2>,6|H<1>}	C[6,6](C[6]S[6]HH)4{2|C<4>}	H(C[6]C[6,6]S[6]H)	108.4227	0.097	4	108.4227	0.009	4	108.4462	0.028	11	109.4048	0.443	315	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[6,6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(S[6]C[6])(H)2	C[6,6](C[6]S[6]HH)4	H(C[6]C[6,6]S[6]H)	C[6](C[6,6]C[6]3)(S[6]C[6])(H)2{1|C<3>,3|S<2>,6|H<1>}	C[6,6](C[6]S[6]HH)4{2|C<3>}	H(C[6]C[6,6]S[6]H)	108.5955	0.149	4	108.4596	0.041	7	108.4462	0.028	11	109.4048	0.443	315	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:1:1:	4:4:4:4:	4:	C[6,6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(S[6]C[6])(H)2	C[6,6](C[6]S[6]HH)4	H(C[6]C[6,6]S[6]H)	C[6](C[6,6]C[6]3)(S[6]C[6])(H)2{1|C<4>,3|S<2>,7|H<1>}	C[6,6](C[6]S[6]HH)4{2|C<4>}	H(C[6]C[6,6]S[6]H)	108.2783	0.047	3	108.4596	0.041	7	108.4462	0.028	11	109.4048	0.443	315	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:2:1:	3:3:4:1:	4:	C[6,6]-4:O[6]-2:S-2:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(O[6]C[6])(SC[6a])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]O[6]HS)(H)	H(C[6]C[6,6]O[6]S)	C[6](C[6,6]C[6,6a]N[6,6]H)(O[6]C[6])(SC[6a])(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]O[6]HS)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]S)	111.6760	0.000	1	111.6760	0.000	1	111.6760	0.000	1	111.6760	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:2:1:	3:4:4:1:	4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(OC)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]O[6]HO)(H)	H(C[6]C[6,6]O[6]O)	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]O[6]HO)(H){1|O<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]O[6]O)	108.3020	0.000	1	108.3020	0.000	1	108.3020	0.000	1	108.3020	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:2:1:	4:2:4:1:	4:	C[6,6]-4:S[6]-2:S[6]-2:H-1:	C[4,6,6]-4:O[6,6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[4,6,6]O[6,6]H)(S[6]C[6])2(H)	C[6,6](C[4,6,6]C[4,6]2H)(O[6,6]C[6,6])(C[6]S[6]2H)(H)	H(C[6]C[6,6]S[6]2)	C[6](C[6,6]C[4,6,6]O[6,6]H)(S[6]C[6])2(H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(O[6,6]C[6,6])(C[6]S[6]2H)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6,6]S[6]2)	106.9840	0.000	1	106.9840	0.000	1	106.9840	0.000	1	106.9840	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:2:1:	4:3:4:4:	4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]C[6])(OC)(H)	C[6,6](C[6]C[3]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[6]O[6]HO)	H(C[6]C[6,6]O[6]O)	C[6](C[6,6]C[6]3)(O[6]C[6])(OC)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6]C[3]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[6]O[6]HO){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]O[6]O)	109.2605	0.040	2	109.2605	0.002	2	109.2605	0.002	2	109.2605	0.002	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:2:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,3x6]O[6]H)(O[6]C[5,6])(OC)(H)	C[6,6](C[5,3x6]C[5,6,6]O[5,6]C[6])(C[6]O[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]O[6]O)	C[6](C[6,6]C[5,3x6]O[6]H)(O[6]C[5,6])(OC)(H){1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[5,3x6]C[5,6,6]O[5,6]C[6])(C[6]O[6]HO)(O[6]C[6])(H){4|H<1>,5|C<4>}	H(C[6]C[6,6]O[6]O)	110.0310	0.000	1	110.0310	0.000	1	110.0310	0.000	1	110.5336	5.983	5	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:2:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[3,6])(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]O[6]O)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[3,6])(OC)(H){1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HO)(O[6]C[6])(H){1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]O[6]O)	114.6940	0.000	1	114.6940	0.000	1	110.7330	11.775	3	110.5336	5.983	5	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:2:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(OC)(H)	C[6,6](C[6,6]C[6]S[6]H)(C[6]O[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]O[6]O)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(OC)(H){1|S<4>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]S[6]H)(C[6]O[6]HO)(O[6]C[6])(H){1|O<2>,2|C<4>,2|O<1>,3|H<1>}	H(C[6]C[6,6]O[6]O)	108.7525	0.125	2	108.7525	0.016	2	110.7330	11.775	3	110.5336	5.983	5	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:2:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:S-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(SC[6a])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HS)(O[6]C[6])(H)	H(C[6]C[6,6]O[6]S)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(SC[6a])(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HS)(O[6]C[6])(H){1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]O[6]S)	110.4380	0.000	1	110.4380	0.000	1	110.4380	0.000	1	110.5336	5.983	5	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:2:1:	4:4:2:2:	4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:S[6]-2:S[6]-2:	C[6]-4:	C[6](C[6,6]C[6]S[6]2)(O[6]C[6])(OC)(H)	C[6,6](C[6]C[6]HH)(C[6]O[6]HO)(S[6]C[6])2	H(C[6]C[6,6]O[6]O)	C[6](C[6,6]C[6]S[6]2)(O[6]C[6])(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6]C[6]HH)(C[6]O[6]HO)(S[6]C[6])2{2|C<4>,6|H<1>}	H(C[6]C[6,6]O[6]O)	107.9850	0.000	1	108.9310	0.686	3	108.9310	0.686	3	108.9310	0.686	3	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:2:1:	4:4:2:2:	4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:S[6]-2:S[6]-2:	C[6]-4:	C[6](C[6,6]C[6]S[6]2)(O[6]C[6])(OC)(H)	C[6,6](C[6]C[6]HH)(C[6]O[6]HO)(S[6]C[6])2	H(C[6]C[6,6]O[6]O)	C[6](C[6,6]C[6]S[6]2)(O[6]C[6])(OC)(H){2|H<1>,5|C<4>}	C[6,6](C[6]C[6]HH)(C[6]O[6]HO)(S[6]C[6])2{2|C<4>,6|H<1>}	H(C[6]C[6,6]O[6]O)	109.4040	0.173	2	108.9310	0.686	3	108.9310	0.686	3	108.9310	0.686	3	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:2:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(OH)(H)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]O[6]HO)(H)	H(C[6]C[6,6]O[6]O)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(OH)(H){2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]O[6]HO)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]O[6]O)	107.9660	0.228	2	107.9660	0.052	2	109.2162	1.619	6	109.2162	1.619	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:2:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(OH)(H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]C[6a]H)(C[6]O[6]HO)(H)	H(C[6]C[6,6]O[6]O)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(OH)(H){1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]C[6a]H)(C[6]O[6]HO)(H){6|C<3>}	H(C[6]C[6,6]O[6]O)	108.9935	0.030	2	108.9935	0.001	2	109.2162	1.619	6	109.2162	1.619	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:2:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(OC[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]CH)(C[6]O[6]HO)(H)	H(C[6]C[6,6]O[6]O)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(OC[6])(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]CH)(C[6]O[6]HO)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]O)	110.6890	0.690	2	110.6890	0.476	2	109.2162	1.619	6	109.2162	1.619	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:2:1:	4:4:4:2:	4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[6,6])(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]O[6]HO)(OH)	H(C[6]C[6,6]O[6]O)	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[6,6])(OC)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]O[6]HO)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6,6]O[6]O)	115.1090	0.000	1	115.1090	0.000	1	115.1090	0.000	1	115.1090	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:2:1:	4:4:4:4:	4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6,6])(OH)(H)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HO)(CH3)	H(C[6]C[6,6]O[6]O)	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6,6])(OH)(H){4|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HO)(CH3){3|C<4>,5|H<1>}	H(C[6]C[6,6]O[6]O)	109.1810	0.000	1	109.1810	0.000	1	109.1810	0.000	1	109.4380	0.132	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:2:1:	4:4:4:4:	4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(C[6]O[6]HO)(CH3)	H(C[6]C[6,6]O[6]O)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(OH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(C[6]O[6]HO)(CH3){2|H<1>,4|C<4>}	H(C[6]C[6,6]O[6]O)	109.6950	0.000	1	109.6950	0.000	1	109.6950	0.000	1	109.4380	0.132	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:3:1:	3:3:4:4:	4:	C[6,6]-4:O[6]-2:C-3:H-1:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(O[6]C[6])(COO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]O[6]CH)(CH3)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(O[6]C[6])(COO)(H){1|O<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]O[6]CH)(CH3){1|H<1>,1|O<2>,5|C<3>}	H(C[6]C[6,6]O[6]C)	108.6810	0.000	1	108.6810	0.000	1	108.6810	0.000	1	108.6810	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:3:1:	3:4:4:4:	4:	C[6,6]-4:S[6]-2:C-3:H-1:	N[6]-3:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(S[6]C[5a,6])(CC[6a]O)(H)	C[6,6](N[6]N[5a,6]H)(C[6]C[6]HH)2(C[6]S[6]CH)	H(C[6]C[6,6]S[6]C)	C[6](C[6,6]C[6]2N[6])(S[6]C[5a,6])(CC[6a]O)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](N[6]N[5a,6]H)(C[6]C[6]HH)2(C[6]S[6]CH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6,6]S[6]C)	107.3895	0.210	2	107.3895	0.044	2	107.3895	0.044	2	107.3895	0.044	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:3:1:	4:2:4:4:	4:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	C[6]-4:O[6]-2:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(O[6]C[6,6a])(N[6]C[6]2)(H)	C[6,6](C[6]N[6]O[6]H)(O[6]C[6,6a])(C[6]C[6]HH)2	H(C[6]C[6,6]N[6]O[6])	C[6](C[6,6]C[6]2O[6])(O[6]C[6,6a])(N[6]C[6]2)(H){2|C<3>,4|C<4>,8|H<1>}	C[6,6](C[6]N[6]O[6]H)(O[6]C[6,6a])(C[6]C[6]HH)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]O[6])	105.6715	0.070	2	105.6715	0.005	2	105.6715	0.005	2	105.6715	0.005	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:3:1:	4:3:4:4:	4:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	C[6]-4:N[6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(O[6]C[6,6a])(N[6]C[6]2)(H)	C[6,6](C[6]N[6]O[6]H)(N[6]C[6,6a]H)(C[6]C[6]HH)2	H(C[6]C[6,6]N[6]O[6])	C[6](C[6,6]C[6]2N[6])(O[6]C[6,6a])(N[6]C[6]2)(H){2|C<3>,4|C<4>,9|H<1>}	C[6,6](C[6]N[6]O[6]H)(N[6]C[6,6a]H)(C[6]C[6]HH)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]O[6])	106.2275	0.974	2	106.2275	0.948	2	106.2275	0.948	2	106.2275	0.948	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:3:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:C-3:H-1:	C[6,6]-4:C[6]-4:N[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(O[6]C[6])(CN[5]O)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]O[6]CH)(N[6]C[6])(H)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]N[6]H)(O[6]C[6])(CN[5]O)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]O[6]CH)(N[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]O[6]C)	109.3290	0.000	1	109.3290	0.000	1	109.3290	0.000	1	109.3290	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:3:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]CH)(H)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCC)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]CH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]O[6]C)	109.0300	0.000	1	109.0300	0.000	1	108.4947	0.507	3	108.4947	0.507	3	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:3:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCH)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]O[6]CH)(H)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]O[6]CH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]O[6]C)	107.6870	0.000	1	107.6870	0.000	1	108.4947	0.507	3	108.4947	0.507	3	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:3:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]CH)(H)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]CH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6,6]O[6]C)	108.7670	0.000	1	108.7670	0.000	1	108.4947	0.507	3	108.4947	0.507	3	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:4:1:	3:3:4:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(O[6]C[6])(CCHH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]O[6]CH)(H)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6a]N[6,6]H)(O[6]C[6])(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]O[6]CH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]O[6]C)	109.5480	0.000	1	109.5480	0.000	1	109.5480	0.000	1	109.5480	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:4:1:	3:4:4:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[3x6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6])(CH3)(H)	C[6,6](C[3x6]C[4x6]C[6])(C[6]C[3x6]HO)(C[6]O[6]CH)(H)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6])(CH3)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[4x6]C[6])(C[6]C[3x6]HO)(C[6]O[6]CH)(H){1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]O[6]C)	110.1590	0.000	1	110.1590	0.000	1	110.1590	0.000	1	107.9885	2.757	4	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:4:1:	3:4:4:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(O[6]C[6])(CCHH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]O[6]CH)(H)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6a]C[6,6]H)(O[6]C[6])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]O[6]CH)(H){1|C<4>,1|O<2>,4|C<3>}	H(C[6]C[6,6]O[6]C)	106.1680	0.000	1	106.1680	0.000	1	106.1680	0.000	1	107.9885	2.757	4	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:4:1:	3:4:4:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	N[6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]N[6,6]H)(O[6]C[6])(CH3)(H)	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]CH)(H)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[5,6]N[6,6]H)(O[6]C[6])(CH3)(H){1|H<1>,3|C<3>,3|C<4>}	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]CH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	H(C[6]C[6,6]O[6]C)	107.5090	0.000	1	107.5090	0.000	1	107.5090	0.000	1	107.9885	2.757	4	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:4:1:	3:4:4:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	O[6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]O[6,6]H)(O[6]C[6])(CH3)(H)	C[6,6](O[6,6]N[6,6]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]CH)(H)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[5,6]O[6,6]H)(O[6]C[6])(CH3)(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6,6](O[6,6]N[6,6]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]CH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	H(C[6]C[6,6]O[6]C)	108.1180	0.000	1	108.1180	0.000	1	108.1180	0.000	1	107.9885	2.757	4	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:4:1:	4:3:4:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H)	C[6,6](C[6,6]C[6,6]CH)(C[6]N[5a,6]O)(C[6]O[6]CH)(H)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6,6](C[6,6]C[6,6]CH)(C[6]N[5a,6]O)(C[6]O[6]CH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]O[6]C)	108.4650	0.000	1	108.4650	0.000	1	108.4650	0.000	1	108.4650	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:4:1:	4:3:4:2:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[6])(CH3)(H)	C[6,6](C[6,6]C[6]2S)(C[6]C[6,6a]O)(C[6]O[6]CH)(OH)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,1|S<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]2S)(C[6]C[6,6a]O)(C[6]O[6]CH)(OH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6,6]O[6]C)	105.4625	0.066	2	105.4625	0.004	2	105.4625	0.004	2	106.6890	4.515	3	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:4:1:	4:3:4:2:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6,6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[6,6a])(CH3)(H)	C[6,6](C[6]N[5a,6]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]O[6]CH)(OH)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[6,6a])(CH3)(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6](C[6]N[5a,6]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]O[6]CH)(OH){1|N<2>,5|C<3>}	H(C[6]C[6,6]O[6]C)	109.1420	0.000	1	109.1420	0.000	1	109.1420	0.000	1	106.6890	4.515	3	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:4:1:	4:3:4:4:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[3,6,6]-4:C[5a,6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[3,6,6]C)(O[6]C[6])(CHHO)(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5a,6,6]C[5a,6]2)(C[6]O[6]CH)(CH3)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[5a,6,6]C[3,6,6]C)(O[6]C[6])(CHHO)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5a,6,6]C[5a,6]2)(C[6]O[6]CH)(CH3){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]O[6]C)	106.0420	0.000	1	106.0420	0.000	1	106.0420	0.000	1	106.0420	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:4:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]B[6])(CHHO)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]B[6])(H)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]O[6]H)(O[6]B[6])(CHHO)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]B[6])(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]O[6]C)	107.9525	0.333	2	107.9525	0.111	2	109.2062	0.663	8	109.2062	0.663	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:4:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(CH3)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(CH3)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H){1|H<1>,1|N<2>,1|O<2>,3|C<4>}	H(C[6]C[6,6]O[6]C)	109.7160	0.133	2	109.7040	0.037	5	109.2062	0.663	8	109.2062	0.663	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:4:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(CH3)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(CH3)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H){1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]O[6]C)	109.6960	0.255	3	109.7040	0.037	5	109.2062	0.663	8	109.2062	0.663	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:4:1:	4:4:2:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(CHHO)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(CHHO)(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H){1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]O[6]C)	109.2250	0.000	1	109.2250	0.000	1	109.2062	0.663	8	109.2062	0.663	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:4:1:	4:4:3:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)(H)	C[6,6](C[6,6]C[6,6a]2H)(C[6]O[6]CH)(C[6]O[6]O)(H)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6,6a]2H)(C[6]O[6]CH)(C[6]O[6]O)(H){4|C<3>}	H(C[6]C[6,6]O[6]C)	108.8190	0.000	1	108.8190	0.000	1	108.1963	0.480	3	108.1963	0.480	3	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:4:1:	4:4:3:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]O[6]CH)(C[6]C[6]C)(H)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCHH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]O[6]CH)(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]O[6]C)	108.3200	0.000	1	108.3200	0.000	1	108.1963	0.480	3	108.1963	0.480	3	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:4:1:	4:4:3:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]N[6])(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]O[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]C[6]H)(O[6]N[6])(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]O[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6,6]O[6]C)	107.4500	0.000	1	107.4500	0.000	1	108.1963	0.480	3	108.1963	0.480	3	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:4:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCCH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]CH)(H)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCCH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]CH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]O[6]C)	105.8730	0.000	1	105.8730	0.000	1	108.5734	0.873	14	108.5734	0.873	14	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:4:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CC[6]HH)(H)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]O[6]CH)(H)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CC[6]HH)(H){2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]O[6]CH)(H){3|C<4>,3|H<1>}	H(C[6]C[6,6]O[6]C)	108.2400	0.000	1	108.2400	0.000	1	108.5734	0.873	14	108.5734	0.873	14	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:4:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CC[6]HH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[3]C[6]H)(C[6]O[6]CH)(H)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CC[6]HH)(H){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[3]C[6]H)(C[6]O[6]CH)(H){4|H<1>,5|C<4>}	H(C[6]C[6,6]O[6]C)	108.0580	0.000	1	108.0580	0.000	1	108.5734	0.873	14	108.5734	0.873	14	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:4:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CC[6]HH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5]C[6]H)(C[6]O[6]CH)(H)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CC[6]HH)(H){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5]C[6]H)(C[6]O[6]CH)(H){4|H<1>,5|C<4>}	H(C[6]C[6,6]O[6]C)	108.3390	0.000	1	108.3390	0.000	1	108.5734	0.873	14	108.5734	0.873	14	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:4:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]N[5,6]HH)(C[6]O[6]CH)(H)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[5,6]HH)(C[6]O[6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]C)	109.0245	0.316	4	109.0245	0.100	4	108.5734	0.873	14	108.5734	0.873	14	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:4:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]O[6]CH)(H)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]O[6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]C)	108.8360	0.000	1	108.8360	0.000	1	108.5734	0.873	14	108.5734	0.873	14	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:4:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]O[6]CH)(H)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]O[6]CH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	H(C[6]C[6,6]O[6]C)	107.7600	0.000	1	107.7600	0.000	1	108.5734	0.873	14	108.5734	0.873	14	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:4:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(C[6]O[6]CH)(H)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(C[6]O[6]CH)(H){3|C<4>,3|H<1>}	H(C[6]C[6,6]O[6]C)	109.0245	0.197	2	109.0245	0.039	2	108.5734	0.873	14	108.5734	0.873	14	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:4:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]N[6]CH)(C[6]O[6]CH)(H)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H){1|N<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]N[6]CH)(C[6]O[6]CH)(H){1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]C)	109.3870	0.088	2	109.3870	0.008	2	108.5734	0.873	14	108.5734	0.873	14	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:2:4:1:	4:4:4:4:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6])(CHHO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]N[6]HH)(C[6]O[6]CH)(CCHH)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6])(CHHO)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]N[6]HH)(C[6]O[6]CH)(CCHH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]O[6]C)	107.5550	0.000	1	107.5550	0.000	1	107.5550	0.000	1	107.5550	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	2:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	O[6]-2:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)(H)2	C[6,6](O[6]C[6,6a])(C[6]C[6]HH)3	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](O[6]C[6,6a])(C[6]C[6]HH)3{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0541	0.156	7	109.0541	0.024	7	109.0541	0.024	7	108.8300	0.104	19	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	2:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	S[6]-2:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2S[6])(C[6]C[6]O)(H)2	C[6,6](S[6]C[5a,6])(C[6]C[6]HH)3	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2S[6])(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,6|H<1>}	C[6,6](S[6]C[5a,6])(C[6]C[6]HH)3{1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.6993	0.327	12	108.6993	0.107	12	108.6993	0.107	12	108.8300	0.104	19	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:2:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:O[6,6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6]C[6a]C[6])(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	109.3110	0.007	2	109.2953	0.000	4	109.2953	0.000	4	109.2953	0.000	4	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:2:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:O[6,6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6]C[6a]C[6])(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6]C[6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.2795	0.006	2	109.2953	0.000	4	109.2953	0.000	4	109.2953	0.000	4	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]C)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]C)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,4|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	110.0090	0.000	1	110.0090	0.000	1	109.5717	0.336	9	109.6441	0.263	33	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]H)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.3125	0.521	2	109.3125	0.272	2	109.5717	0.336	9	109.6441	0.263	33	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]O)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|S<4>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	110.4165	0.009	2	109.5852	0.418	6	109.5717	0.336	9	109.6441	0.263	33	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]O)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1695	0.077	4	109.5852	0.418	6	109.5717	0.336	9	109.6441	0.263	33	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]H)(H)2{1|C<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.6255	0.021	2	109.6255	0.000	2	109.6255	0.000	2	109.6441	0.263	33	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]C)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]C)(H)2{4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|O<2>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.7420	0.011	2	109.7420	0.000	2	109.7420	0.000	2	109.6441	0.263	33	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(H)2{1|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.7250	0.019	4	109.7250	0.000	4	109.4694	0.105	7	109.6441	0.263	33	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0765	0.019	2	109.0765	0.000	2	109.4694	0.105	7	109.6441	0.263	33	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>,3|O<1>}	H(C[6]C[6,6]C[6]H)	109.2330	0.000	1	109.2330	0.000	1	109.4694	0.105	7	109.6441	0.263	33	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](C[6]C[6a]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H)2{2|C<4>,3|C<3>}	C[6,6](C[6]C[6a]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|S<1>,1|S<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.3740	0.014	2	109.3740	0.000	2	109.3740	0.000	2	109.6441	0.263	33	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:3:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(N[6]C[6]H)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[4])(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[4])(C[6]N[6]HH)(H){3|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]N[6]H)	110.1775	1.955	2	110.1775	3.823	2	110.1775	3.823	2	109.6441	0.263	33	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:3:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6]C)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]N[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]N[6]H)	109.8700	0.048	2	109.7763	0.016	9	109.7763	0.016	9	109.6441	0.263	33	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:3:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6]C)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]N[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]N[6]H)	109.7496	0.133	7	109.7763	0.016	9	109.7763	0.016	9	109.6441	0.263	33	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:3:4:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]C[6])(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]C[6])(H)2{1|H<1>,1|O<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|O<1>,6|C<3>}	H(C[6]C[6,6]C[6]H)	108.9370	0.010	2	108.9370	0.000	2	108.9370	0.000	2	108.9370	0.000	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:3:4:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:N-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]C)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C)(C[6]C[6]HH)(NHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C)(C[6]C[6]HH)(NHH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9004	0.177	15	108.9004	0.031	15	108.9004	0.031	15	108.9004	0.031	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:3:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:Si[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]2Si[6])(C[6]C[6]C)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])2(Si[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]2Si[6])(C[6]C[6]C)(H)2{1|H<1>,2|C<4>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(Si[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|O<2>,4|H<1>,7|C<3>}	H(C[6]C[6,6]C[6]H)	108.7325	0.009	2	108.7325	0.000	2	108.7325	0.000	2	108.8351	1.375	43	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:3:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]C)(C[6]C[6a]C[6])(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(CF3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6]C)(C[6]C[6a]C[6])(H)2{1|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(CF3){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	108.2950	0.421	2	108.2950	0.178	2	108.2950	0.178	2	108.8351	1.375	43	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:3:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-4:P-4:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]P)(C[6]C[6a]C[6])(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(PO3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6]P)(C[6]C[6a]C[6])(H)2{1|H<1>,1|S<4>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(PO3){1|H<1>,1|O<2>,3|O<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	108.6415	0.019	2	108.6415	0.000	2	108.6415	0.000	2	108.8351	1.375	43	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:3:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,6]-3:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(N[6]C[6]C)(H)2	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6,6]C)(C[6]N[6]HH)(CH3)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6,6]C)(C[6]N[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[6,6]N[6]H)	108.3061	0.019	9	108.3061	0.000	9	108.0625	0.497	11	108.8351	1.375	43	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:3:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,6]-3:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(N[6]C[6]C)(H)2	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6,6]O)(C[6]N[6]HH)(CH3)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(N[6]C[6]C)(H)2{1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6,6]O)(C[6]N[6]HH)(CH3){1|Cl<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]N[6]H)	106.9665	1.425	2	106.9665	2.030	2	108.0625	0.497	11	108.8351	1.375	43	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:3:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6]C)(N[6]C[6]C)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O)(C[6]N[6]HH)(CH3)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5a,6]C[6,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O)(C[6]N[6]HH)(CH3){1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.8294	0.247	8	109.8294	0.061	8	109.8294	0.061	8	108.8351	1.375	43	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:3:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(N[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]O)(C[6]C[6]HH)(C[6]N[6]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]2)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]O)(C[6]C[6]HH)(C[6]N[6]HH){2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6,6]N[6]H)	109.5795	0.013	2	109.5795	0.000	2	109.5795	0.000	2	108.8351	1.375	43	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:3:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2{2|H<1>,3|C<3>,4|C<4>}	H(C[6]C[6,6]N[6]H)	108.8807	1.547	16	108.8807	2.392	16	108.8807	2.392	16	108.8351	1.375	43	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6,6a]-3:Br-1:H-1:	C[6,6a]-3:C[6]-4:S[6,6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]S[6,6]H)(C[6,6a]C[6,6a]C[6a])(Br)(H)	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]BrH)(S[6,6]C[6,6])(H)	H(C[6]C[6,6a]C[6,6]Br)	C[6](C[6,6]C[6,6a]S[6,6]H)(C[6,6a]C[6,6a]C[6a])(Br)(H){1|C<4>,1|H<1>,2|C<3>,2|N<2>}	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]BrH)(S[6,6]C[6,6])(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]Br)	107.7642	0.063	6	107.9138	0.122	13	107.9138	0.122	13	108.3019	0.679	19	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6,6a]-3:Br-1:H-1:	C[6,6a]-3:C[6]-4:S[6,6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]S[6,6]H)(C[6,6a]C[6,6a]C[6a])(Br)(H)	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]BrH)(S[6,6]C[6,6])(H)	H(C[6]C[6,6a]C[6,6]Br)	C[6](C[6,6]C[6,6a]S[6,6]H)(C[6,6a]C[6,6a]C[6a])(Br)(H){1|C<4>,2|N<2>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]BrH)(S[6,6]C[6,6])(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]Br)	108.0421	0.447	7	107.9138	0.122	13	107.9138	0.122	13	108.3019	0.679	19	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6,6a]O[6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(O[6]C[6])(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6,6a]O[6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(O[6]C[6])(H){1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	110.1415	0.012	2	110.1415	0.000	2	110.1415	0.000	2	108.3019	0.679	19	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O[6,6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(O[6,6]C[6,6])(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2{1|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(O[6,6]C[6,6])(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6,6]H)	109.7190	0.000	1	109.7190	0.000	1	109.7190	0.000	1	108.3019	0.679	19	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S[6,6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]S[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(S[6,6]C[6,6])(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]S[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,2|C<3>,2|N<2>}	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(S[6,6]C[6,6])(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	108.2850	0.080	3	108.2850	0.006	3	108.2850	0.006	3	108.3019	0.679	19	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:2:2:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(N[6]C[5]C[6])(H)2	C[6,6](C[6]C[5,6]O)(C[6]N[6]HH)(O[6]C[6])2	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6]O[6]2)(N[6]C[5]C[6])(H)2{1|H<1>,2|C<3>,2|O<1>,3|C<4>}	C[6,6](C[6]C[5,6]O)(C[6]N[6]HH)(O[6]C[6])2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]N[6]H)	109.4280	0.004	2	109.4280	0.000	2	109.3395	0.259	10	109.3395	0.259	10	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:2:2:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(N[6]C[6]C)(H)2	C[6,6](C[6]C[5,6]O)(C[6]N[6]HH)(O[6]C[6])2	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6]O[6]2)(N[6]C[6]C)(H)2{2|O<1>,3|C<4>}	C[6,6](C[6]C[5,6]O)(C[6]N[6]HH)(O[6]C[6])2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6,6]N[6]H)	108.7933	0.075	4	108.7933	0.006	4	109.3395	0.259	10	109.3395	0.259	10	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:2:2:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(N[6]C[6a]C[6])(H)2	C[6,6](C[6]C[5,6]O)(C[6]N[6]HH)(O[6]C[6])2	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6]O[6]2)(N[6]C[6a]C[6])(H)2{2|C<3>,2|O<1>,3|C<4>}	C[6,6](C[6]C[5,6]O)(C[6]N[6]HH)(O[6]C[6])2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6,6]N[6]H)	109.5670	0.000	1	109.8415	0.034	4	109.3395	0.259	10	109.3395	0.259	10	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:2:2:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(N[6]C[6a]C[6])(H)2	C[6,6](C[6]C[5,6]O)(C[6]N[6]HH)(O[6]C[6])2	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6]O[6]2)(N[6]C[6a]C[6])(H)2{2|C<3>,2|O<1>,3|C<4>}	C[6,6](C[6]C[5,6]O)(C[6]N[6]HH)(O[6]C[6])2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]N[6]H)	109.9330	0.018	3	109.8415	0.034	4	109.3395	0.259	10	109.3395	0.259	10	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:2:4:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O[6,6]-2:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(O[6,6]C[6,6])(CH3)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(O[6,6]C[6,6])(CH3){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	109.3360	0.016	2	109.3360	0.000	2	109.3360	0.000	2	109.3360	0.000	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6])(H)2{1|N<3>,3|C<3>,3|C<4>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){1|C<4>,4|H<1>,5|C<3>}	H(C[6]C[6,6]2H)	109.8575	0.016	2	109.8575	0.000	2	109.8575	0.000	2	109.2486	0.966	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H)2{1|H<1>,2|O<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]O)(H){1|C<3>,5|C<4>}	H(C[6]C[6,6]2H)	109.2025	0.006	2	109.2025	0.000	2	109.2025	0.000	2	109.2486	0.966	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6]C[6])(H)2{2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]2H)	109.3080	0.000	1	109.3080	0.000	1	109.3080	0.000	1	109.2486	0.966	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	N[5a,6]-3:C[6]-4:C[6,6]-3:H-1:	C[6]-4:	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]HH)(C[6,6]C[6]2)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6,6]C[6,6]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]HH)(C[6,6]C[6]2)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6,6]2H)	109.5655	0.039	2	109.5655	0.002	2	109.5655	0.002	2	109.2486	0.966	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	109.6973	0.811	6	109.6443	0.374	10	109.6443	0.374	10	109.2486	0.966	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|O<2>,2|C<4>,4|C<3>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	109.5648	0.109	4	109.6443	0.374	10	109.6443	0.374	10	109.2486	0.966	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	109.3872	0.072	4	109.3872	0.005	4	108.9960	0.938	37	109.2486	0.966	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	108.5479	1.115	12	108.9642	1.178	29	108.9960	0.938	37	109.2486	0.966	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|Cl<1>,2|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.0060	0.014	2	108.9642	1.178	29	108.9960	0.938	37	109.2486	0.966	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.2916	1.056	15	108.9642	1.178	29	108.9960	0.938	37	109.2486	0.966	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2{2|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.8795	0.019	2	108.8355	0.003	4	108.9960	0.938	37	109.2486	0.966	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2{2|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|N<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.7915	0.015	2	108.8355	0.003	4	108.9960	0.938	37	109.2486	0.966	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:3:1:	4:	C[6,6]-4:N[5,6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(N[5,6]C[5,5,6]C[5])(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]N[5,6]HH)(N[6,6]C[6]2)(H)	H(C[6]C[6,6]N[5,6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(N[5,6]C[5,5,6]C[5])(H)2{1|N<3>,1|O<1>,2|C<3>,4|C<4>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]N[5,6]HH)(N[6,6]C[6]2)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]N[5,6]H)	109.0660	0.236	2	109.0660	0.056	2	109.0660	0.056	2	109.2486	0.966	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:3:1:	4:	C[6,6]-4:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(N[5,6]C[5,6]C[5])(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(N[6,6]C[6]2)(H)	H(C[6]C[6,6]N[5,6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(N[5,6]C[5,6]C[5])(H)2{1|O<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(N[6,6]C[6]2)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]N[5,6]H)	111.2170	2.283	2	111.2170	5.210	2	111.2170	5.210	2	109.2486	0.966	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:3:2:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6]N[6]O)(O[6]C[6])	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6]N[6]O)(O[6]C[6]){3|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6,6]H)	109.8370	0.000	1	109.8370	0.000	1	109.8370	0.000	1	109.8370	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:3:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]O){2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.5585	0.008	2	109.5585	0.000	2	109.5585	0.000	2	109.2775	0.105	4	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:3:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]N[6]HH)(C[6]C[6]H)(COO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)(H)2{1|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]N[6]HH)(C[6]C[6]H)(COO){1|O<2>,1|S<4>,4|C<3>}	H(C[6]C[6,6]N[6]H)	108.9965	0.012	2	108.9965	0.000	2	108.9965	0.000	2	109.2775	0.105	4	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]C)(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]C)(CCHH){2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.2530	0.017	2	109.2530	0.000	2	109.3200	0.006	4	109.0920	0.342	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CHHO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,1|S<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CHHO){1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3870	0.004	2	109.3870	0.000	2	109.3200	0.006	4	109.0920	0.342	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]C)(C[6]C[6]O)(H)2	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|Mo<7>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.1645	0.018	2	108.1645	0.000	2	108.1645	0.000	2	109.0920	0.342	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:3:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]N[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]N[6]HH)(C[6]C[6]O)(CH3){3|C<4>,3|H<1>}	H(C[6]C[6,6]N[6]H)	109.5635	0.021	2	109.5635	0.000	2	109.5635	0.000	2	109.0920	0.342	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]HO)(H){1|C<3>,5|C<4>}	H(C[6]C[6,6]2H)	108.8377	0.110	6	108.8377	0.012	6	108.8377	0.012	6	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6a]-3:Br-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(Br)(H)	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]BrH)(H)	H(C[6]C[6,6a]C[6,6]Br)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(Br)(H){1|C<4>,2|H<1>,2|N<2>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]BrH)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]Br)	108.5997	0.236	6	108.5997	0.056	6	108.5865	0.043	8	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6a]-3:Br-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]N[6a])(Br)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]BrH)(H)	H(C[6]C[6,6a]C[6,6]Br)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]N[6a])(Br)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]BrH)(H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	H(C[6]C[6,6a]C[6,6]Br)	108.5470	0.140	2	108.5470	0.020	2	108.5865	0.043	8	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6,6a]-3:C[6]-4:N[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	109.9485	0.455	2	109.9485	0.207	2	109.9485	0.207	2	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,2|C<3>,2|N<2>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	108.5614	0.084	8	108.4498	0.041	11	108.5507	0.044	18	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,2|H<1>,2|N<2>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	108.1523	0.015	3	108.4498	0.041	11	108.5507	0.044	18	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	H(C[6]C[6,6a]C[6,6]H)	108.7091	0.084	7	108.7091	0.007	7	108.5507	0.044	18	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6,6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2H)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2H)(H){1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.0100	0.185	8	109.0100	0.034	8	109.0100	0.034	8	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](B[6,6]C[6,6]N[5])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]H)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6,6](B[6,6]C[6,6]N[5])(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.7597	0.229	4	108.7597	0.052	4	108.7597	0.052	4	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[3x6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[3x6]C[4x6]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[4x6]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|H<1>,1|I<1>,1|N<3>,1|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8795	0.023	2	108.8795	0.001	2	108.8795	0.001	2	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(H)2	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9288	0.039	4	108.9288	0.002	4	108.9288	0.002	4	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]O[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]O[6]O)(H)2{1|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.5412	0.208	4	108.5412	0.043	4	108.5412	0.043	4	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.4190	0.013	2	108.9852	0.136	8	109.0127	1.341	19	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1740	0.141	6	108.9852	0.136	8	109.0127	1.341	19	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]ClS)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,1|S<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]ClS)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.9910	0.037	2	108.9910	0.001	2	109.0127	1.341	19	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]S)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)2(H){1|S<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0675	0.925	4	109.0675	0.856	4	109.0127	1.341	19	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2{1|C<3>,1|N<2>,1|O<2>,3|H<1>}	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(C[6]O[6]HH)(H){1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	108.6767	0.090	3	108.6767	0.008	3	109.0127	1.341	19	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.5390	4.436	2	109.5390	19.682	2	109.0127	1.341	19	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3470	0.008	2	109.3470	0.000	2	109.0762	0.111	18	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]O)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6785	0.022	2	108.6785	0.000	2	109.0762	0.111	18	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	108.6090	0.047	2	109.1782	0.434	4	109.0762	0.111	18	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.7475	0.047	2	109.1782	0.434	4	109.0762	0.111	18	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]O)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.0485	0.018	2	109.0485	0.000	2	109.0762	0.111	18	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[5,6]O)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[5,6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1195	0.083	2	109.1195	0.007	2	109.0762	0.111	18	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]O)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6]C[6]H)	108.9535	0.012	2	108.9535	0.000	2	109.0762	0.111	18	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]S)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.0913	0.108	4	109.0913	0.012	4	109.0762	0.111	18	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	N[3x6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H){1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3465	0.008	2	109.3465	0.000	2	109.3465	0.000	2	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	N[5a,6]-3:C[3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[5a,6]C[3x6]H)(C[6]C[6]O)(H)2	C[6,6](N[5a,6]C[5,5a]C[5a,6])(C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[5a,6]C[3x6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6](N[5a,6]C[5,5a]C[5a,6])(C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.5850	0.047	2	108.5850	0.002	2	108.5850	0.002	2	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	N[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]O)(H)2	C[6,6](N[5a,6]C[5,5a]C[5a,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6](N[5a,6]C[5,5a]C[5a,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0805	0.129	2	109.0805	0.017	2	109.0653	0.009	3	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	N[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]O)(H)2	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.0350	0.000	1	109.0350	0.000	1	109.0653	0.009	3	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	N[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]O)(H)2	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]OO)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]OO)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2745	0.407	4	109.2745	0.166	4	109.0165	0.147	8	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	N[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]O)(H)2	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7585	0.008	4	108.7585	0.000	4	109.0165	0.147	8	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5990	0.020	2	109.5990	0.000	2	109.0409	0.138	26	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2{3|H<1>,4|C<4>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8870	0.008	2	108.8870	0.000	2	109.0409	0.138	26	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]MoH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2{1|Mo<7>,1|C<3>,2|C<4>,3|H<1>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]MoH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.1280	0.011	2	109.1280	0.000	2	109.0409	0.138	26	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)2(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.6660	0.089	10	108.6660	0.008	10	109.0409	0.138	26	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](N[6,6]C[6,6]O)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2{1|O<1>,2|C<4>,4|H<1>}	C[6,6](N[6,6]C[6,6]O)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0487	0.056	4	109.0487	0.003	4	109.0409	0.138	26	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4968	0.077	6	109.4968	0.006	6	109.0409	0.138	26	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	N[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6a]C[6,6]H)(C[6]C[6]O)(H)2	C[6,6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6a]C[6,6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.2620	0.006	2	109.2620	0.000	2	109.2620	0.000	2	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(N[5,6]C[5,6]C[5])(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]N[5,6]HH)(H)	H(C[6]C[6,6]N[5,6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(N[5,6]C[5,6]C[5])(H)2{1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]N[5,6]HH)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6,6]N[5,6]H)	109.5456	0.040	5	109.5456	0.002	5	109.5456	0.002	5	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]N[6,6]H)	109.1915	0.015	2	109.1915	0.000	2	109.1915	0.000	2	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6,6a]C[6]H)(N[6]C[6,6]C[6])(H)2	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6,6a]C[6]H)(N[6]C[6,6]C[6])(H)2{1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]N[6]H)	109.6420	0.031	2	109.6420	0.001	2	109.6420	0.001	2	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(N[6]C[6]C)(H)2	C[6,6](C[6,6]N[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]2H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[6,6]N[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	107.4030	0.984	2	107.4030	0.969	2	107.4030	0.969	2	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:Cl-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]Cl)(N[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]CH)(C[6]N[6]HH)(Cl)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]Cl)(N[6]C[6]C)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]CH)(C[6]N[6]HH)(Cl){2|C<3>,4|C<4>}	H(C[6]C[6,6]N[6]H)	106.7755	0.634	2	106.7755	0.402	2	106.7755	0.402	2	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CH)(C[6]N[6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.6385	0.005	2	109.6385	0.000	2	109.9500	0.129	4	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]H)	110.2615	0.009	2	110.2615	0.000	2	109.9500	0.129	4	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6]C)(H)2	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.9150	0.000	1	109.9150	0.000	1	109.9150	0.000	1	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]S)(H)2	C[6,6](N[6,6]C[6,6]S)(C[6]N[6]HH)2(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,1|S<4>,4|H<1>}	C[6,6](N[6,6]C[6,6]S)(C[6]N[6]HH)2(H){1|H<1>,2|C<4>,2|S<4>}	H(C[6]C[6,6]N[6]H)	109.6282	0.125	13	109.6282	0.016	13	109.6282	0.016	13	108.9959	0.423	167	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6,6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]O)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2C)(OH)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]N[6,6]O)(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,3|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2C)(OH){1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.1335	0.005	2	109.1335	0.000	2	109.1335	0.000	2	108.4544	0.522	17	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6]O)(H)2	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|O<1>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9565	0.083	2	108.9565	0.007	2	108.9565	0.007	2	108.4544	0.522	17	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]O[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]O[6]O)(H)2{1|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6440	0.000	1	108.6440	0.000	1	108.6440	0.000	1	108.4544	0.522	17	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	N[5,6,6]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]N[5,6,6]C[6]O)(C[6]N[6,6]O)(H)2	C[6,6](N[5,6,6]C[5,3x6]C[5,6a])(C[6]C[6]HH)2(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[5,6,6]C[6]O)(C[6]N[6,6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](N[5,6,6]C[5,3x6]C[5,6a])(C[6]C[6]HH)2(OH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.4640	0.017	2	108.4640	0.000	2	108.4640	0.000	2	108.4544	0.522	17	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:2:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(N[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]C)(C[6]C[5,6]CH)(C[6]N[6]HH)(OH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]O)(N[6]C[6]C)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C)(C[6]C[5,6]CH)(C[6]N[6]HH)(OH){2|C<3>,4|C<4>}	H(C[6]C[6,6]N[6]H)	108.1436	0.127	8	108.1436	0.016	8	108.1436	0.016	8	108.4544	0.522	17	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:2:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]O[6])(N[6]C[6]C)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]N[6]HH)(O[6]C[6])	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(N[6]C[6]C)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]N[6]HH)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6,6]N[6]H)	108.4120	2.447	2	108.4120	5.986	2	108.4120	5.986	2	108.4544	0.522	17	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(COO){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8115	0.033	2	108.8115	0.001	2	108.8115	0.001	2	108.8997	0.204	13	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]C)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]N[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]C)(H)2{1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]N[6]O){2|H<1>,6|C<3>}	H(C[6]C[6,6]C[6]H)	109.1701	0.297	7	109.1701	0.088	7	109.1701	0.088	7	108.8997	0.204	13	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[5,6]C)(H)2	C[6,6](C[6]C[5,6]C)(C[6]C[6]HH)2(C[6]O[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[5,6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6]C[5,6]C)(C[6]C[6]HH)2(C[6]O[6]O){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.1010	0.337	2	108.1010	0.113	2	108.1010	0.113	2	108.8997	0.204	13	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6]HH)(C[6]N[6]HH)(COO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6]HH)(C[6]N[6]HH)(COO){1|S<4>,3|C<3>,3|C<4>}	H(C[6]C[6,6]N[6]H)	108.8400	0.027	2	108.8400	0.001	2	108.8400	0.001	2	108.8997	0.204	13	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5a,6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[6]C)(C[6]C[6]O)(H)2	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)2(CCHH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.7095	0.025	2	108.8100	0.014	4	108.8100	0.014	4	109.0183	0.823	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5a,6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[6]C)(C[6]C[6]O)(H)2	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)2(CCHH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.9105	0.026	2	108.8100	0.014	4	108.8100	0.014	4	109.0183	0.823	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6,6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6,6a]C[6]C)(C[6]N[6]O)(H)2	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6,6a]C[6]C)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2(CH3){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8805	0.013	2	108.8805	0.000	2	108.8805	0.000	2	109.0183	0.823	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(CH3){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	107.1575	0.985	4	107.1575	0.971	4	107.1575	0.971	4	109.0183	0.823	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[4,6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[4,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[4,6]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[4,6]C[6]H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	110.0650	0.000	1	110.0650	0.000	1	109.2997	0.325	8	109.0183	0.823	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]H)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3770	0.000	1	109.3770	0.000	1	109.2997	0.325	8	109.0183	0.823	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]O)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]O)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.6730	0.031	2	109.6730	0.001	2	109.2997	0.325	8	109.0183	0.823	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CCCH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CCCH){1|S<2>,4|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3415	0.022	2	109.3415	0.000	2	109.2997	0.325	8	109.0183	0.823	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]N[6]O)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]N[6]O)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6]C[6]H)	108.4635	0.005	2	108.4635	0.000	2	109.2997	0.325	8	109.0183	0.823	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]N[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]N[6]HH){1|C<4>,1|O<2>,1|S<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9735	0.006	2	108.9735	0.000	2	108.9735	0.000	2	109.0183	0.823	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	N[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]C)(C[6]C[6]O)(H)2	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]OO)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]C)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]OO)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.6235	0.045	2	109.6235	0.002	2	109.6235	0.002	2	109.0183	0.823	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]C)(C[6]C[6]O)(H)2	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]C)(C[6]C[6]O)(H)2{3|H<1>,4|C<4>}	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]HH)2(CH3){1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.9553	1.221	4	109.9553	1.491	4	109.9553	1.491	4	109.0183	0.823	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]O)(H)2	C[6,6](N[6]C[6,6]O)(C[6]C[6]HH)3	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]O)(H)2{1|O<1>,3|C<4>,6|H<1>}	C[6,6](N[6]C[6,6]O)(C[6]C[6]HH)3{1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.5260	0.445	3	108.5260	0.198	3	108.5260	0.198	3	109.0183	0.823	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6]C)(N[6]C[6]C)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]CO)(C[6]N[6]HH)(CH3)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5a,6]C[6,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]CO)(C[6]N[6]HH)(CH3){1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.3610	0.006	2	109.3610	0.000	2	109.3610	0.000	2	109.0183	0.823	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.0360	0.095	2	109.0360	0.009	2	109.0360	0.009	2	109.0183	0.823	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]2)(N[6]C[6]S)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]N[6]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6a]C[6]2)(N[6]C[6]S)(H)2{1|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]N[6]HH){1|C<4>,1|O<2>,1|S<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]N[6]H)	109.5065	0.016	2	109.6102	0.010	5	109.6102	0.010	5	109.0183	0.823	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]2)(N[6]C[6]S)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]N[6]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6a]C[6]2)(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]N[6]HH){1|C<4>,1|O<2>,1|S<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]N[6]H)	109.6793	0.049	3	109.6102	0.010	5	109.6102	0.010	5	109.0183	0.823	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(N[6]C[5,6]C)(H)2	C[6,6](N[6]C[5,6]H)(C[6]C[6]HH)2(C[6]N[6]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6]2N[6])(N[6]C[5,6]C)(H)2{4|C<4>,6|H<1>}	C[6,6](N[6]C[5,6]H)(C[6]C[6]HH)2(C[6]N[6]HH){4|C<4>,5|H<1>}	H(C[6]C[6,6]N[6]H)	108.6325	0.049	2	108.6325	0.002	2	108.6325	0.002	2	109.0183	0.823	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:2:3:3:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:O[6,6]-2:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]O[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]O[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6,6]H)	109.2965	0.016	2	109.2965	0.000	2	109.2965	0.000	2	109.2965	0.000	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6a]O)(H)2	C[6,6](C[6,6]C[6,6a]2O)(O[6]C[6,6a])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6a]O)(H)2{1|O<2>,4|C<3>}	C[6,6](C[6,6]C[6,6a]2O)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	108.8530	0.000	1	108.8530	0.000	1	109.0786	0.210	7	109.1114	0.107	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2C)(O[6]C[6,6a])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)2{1|C<2>,1|C<4>,3|C<3>}	C[6,6](C[6,6]C[6]2C)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	108.4850	0.018	2	108.4850	0.000	2	109.0786	0.210	7	109.1114	0.107	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|O<2>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.4317	0.028	4	109.4317	0.001	4	109.0786	0.210	7	109.1114	0.107	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:S[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[5,6]O)(H)2	C[6,6](C[6,6]C[5,6,6]HO)(S[6]C[5,6,6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[5,6]O)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]HO)(S[6]C[5,6,6])(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.1401	0.183	8	109.1401	0.033	8	109.1401	0.033	8	109.1114	0.107	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:2:4:3:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:O[6,6]-2:C[3]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]O[6,6]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[3]C[3]2H)(C[6]C[6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]O[6,6]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(H)2{3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[3]C[3]2H)(C[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.1990	0.013	2	109.1990	0.000	2	109.1990	0.000	2	109.1990	0.000	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:3:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C[6]-3:S[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2S[6])(C[6]C[6]H)(H)2	C[6,6](C[6]C[6]HH)(C[6]O[6]O)2(S[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2S[6])(C[6]C[6]H)(H)2{2|C<4>,2|O<1>,2|O<2>}	C[6,6](C[6]C[6]HH)(C[6]O[6]O)2(S[6]C[6]){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	107.9290	0.031	2	107.9290	0.001	2	107.9290	0.001	2	107.6403	0.983	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:3:2:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6]-4:C[6a]-3:N[6,6]-3:O[6]-2:	C[6]-4:	C[6](C[6,6]N[6,6]C[6a]O[6])(N[6,6]C[6,6]C[6])(H)2	C[6,6](C[6]N[6,6]HH)(C[6a]C[6a]2)(N[6,6]C[6]2)(O[6]C[6])	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]N[6,6]C[6a]O[6])(N[6,6]C[6,6]C[6])(H)2{1|C<4>,1|O<1>,1|O<2>,6|C<3>}	C[6,6](C[6]N[6,6]HH)(C[6a]C[6a]2)(N[6,6]C[6]2)(O[6]C[6]){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	H(C[6]C[6,6]N[6,6]H)	107.4960	1.247	4	107.4960	1.554	4	107.4960	1.554	4	107.6403	0.983	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6](C[5,6]C[5,6,6]C[5]Si)(N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|Si<4>,1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]Si)(N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.7220	0.000	1	108.7220	0.000	1	108.7220	0.000	1	109.2555	0.489	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]C)(H)2	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1397	0.124	3	109.1397	0.015	3	109.0752	0.016	5	109.2555	0.489	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9785	0.013	2	108.9785	0.000	2	109.0752	0.016	5	109.2555	0.489	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5a,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5a,6]H)(C[6]C[6]C)(H)2	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[5a,6]H)(C[6]C[6]C)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,5|C<3>}	H(C[6]C[6,6]C[6]H)	108.6190	0.000	1	108.9140	0.065	3	108.9140	0.065	3	109.2555	0.489	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5a,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5a,6]H)(C[6]C[6]C)(H)2	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[5a,6]H)(C[6]C[6]C)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|C<4>,5|C<3>}	H(C[6]C[6,6]C[6]H)	109.0615	0.005	2	108.9140	0.065	3	108.9140	0.065	3	109.2555	0.489	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:N[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]N[6,6a]H)(C[6]C[6]O)(H)2	C[6,6](C[5,6,6]C[5,6,6]O[5]C)(N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]N[6,6a]H)(C[6]C[6]O)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]C)(N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|H<1>,2|C<3>,2|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.4680	0.033	2	109.4680	0.001	2	109.4680	0.001	2	109.2555	0.489	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:N[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(N[6]C[6a]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6,6]O)(H)2{1|O<2>,2|C<3>,4|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(N[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3880	0.000	1	109.3880	0.000	1	109.3880	0.000	1	109.2555	0.489	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4037	0.213	3	109.2500	0.069	5	109.2500	0.069	5	109.2555	0.489	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.0195	0.091	2	109.2500	0.069	5	109.2500	0.069	5	109.2555	0.489	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|O<1>,4|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.5125	0.062	2	108.5125	0.004	2	109.0225	0.288	6	109.2555	0.489	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.8725	0.039	2	108.8725	0.002	2	109.0225	0.288	6	109.2555	0.489	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]O)(H)2{3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,2|H<1>,2|O<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.6825	0.016	2	109.6825	0.000	2	109.0225	0.288	6	109.2555	0.489	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]Br)(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|Br<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]Br)(C[6]C[6,6a]O)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.0045	1.268	2	109.0045	1.607	2	109.0520	1.037	23	109.2555	0.489	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	108.7810	1.973	4	108.7810	3.891	4	109.0520	1.037	23	109.2555	0.489	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1478	1.668	4	109.1478	2.781	4	109.0520	1.037	23	109.2555	0.489	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6,6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6,6]C)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	H(C[6]C[6,6]C[6]H)	109.2900	0.387	4	109.1541	0.098	8	109.0520	1.037	23	109.2555	0.489	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6,6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6,6]C)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|N<3>}	H(C[6]C[6,6]C[6]H)	108.8730	0.057	2	109.1541	0.098	8	109.0520	1.037	23	109.2555	0.489	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6,6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6,6]C)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	H(C[6]C[6,6]C[6]H)	109.1635	0.008	2	109.1541	0.098	8	109.0520	1.037	23	109.2555	0.489	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|S<2>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.0793	0.194	3	109.0478	0.021	5	109.0520	1.037	23	109.2555	0.489	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.0005	0.021	2	109.0478	0.021	5	109.0520	1.037	23	109.2555	0.489	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:N[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[5,6]H)(C[6]C[5,6]O)(H)2	C[6,6](C[6,6]C[5,6,6]HH)(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[5,6]H)(C[6]C[5,6]O)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]HH)(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9835	0.008	2	108.9835	0.000	2	108.9835	0.000	2	109.2555	0.489	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|N<4>,1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3060	0.000	1	109.3060	0.000	1	108.4993	2.321	3	109.2555	0.489	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.0960	1.915	2	108.0960	3.667	2	108.4993	2.321	3	109.2555	0.489	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6a]C[6]N[6])(N[6]C[6a]N[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6](C[6,6]C[6a]C[6]N[6])(N[6]C[6a]N[6])(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|S<4>,6|C<3>}	H(C[6]C[6,6]C[6]H)	108.8190	0.000	1	108.8190	0.000	1	108.8190	0.000	1	109.2555	0.489	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[6,6]C[6]H)	108.2270	0.008	2	108.2270	0.000	2	108.8385	0.499	4	109.2555	0.489	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](C[6]C[5a,6]HN)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6](C[6]C[5a,6]HN)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.4500	0.007	2	109.4500	0.000	2	108.8385	0.499	4	109.2555	0.489	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:1:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	C[6,6](C[6]N[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6]N[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6]N[6,6]H)	109.3640	0.000	1	109.3640	0.000	1	109.3640	0.000	1	109.2555	0.489	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:1:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	C[6,6](C[6]N[6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HO)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[6]N[6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]N[6,6]H)	109.3430	0.356	4	109.3430	0.126	4	109.3430	0.126	4	109.2555	0.489	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[3,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6]N[6,6]H)(N[6]C[6]S)(H)2	C[6,6](C[3,6]C[3,6]C[3]H)(N[6,6]C[6,6a]C[6])(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[3,6]N[6,6]H)(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3,6]C[3,6]C[3]H)(N[6,6]C[6,6a]C[6])(C[6]N[6]HH)(H){1|S<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]N[6]H)	109.9770	0.013	2	109.9770	0.000	2	109.9770	0.000	2	109.2555	0.489	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(N[6]C[6]C)(H)2	C[6,6](C[5,6]C[5,6a]C[5,6]O)(C[6,6]C[6,6]C[5])(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(N[6]C[6]C)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,6]C[5,6a]C[5,6]O)(C[6,6]C[6,6]C[5])(C[6]N[6]HH)(H){2|H<1>,3|C<4>,5|C<3>}	H(C[6]C[6,6]N[6]H)	109.3490	0.035	3	109.3490	0.001	3	109.5643	0.062	11	109.2555	0.489	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(N[6]C[6]C)(H)2	C[6,6](C[5,6]C[5,6a]C[5,6]O)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[5,6]C[5,6a]C[5,6]O)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.6450	0.248	8	109.6450	0.061	8	109.5643	0.062	11	109.2555	0.489	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]C[5])(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]C[5])(C[6]N[6]HH)(H){2|H<1>,3|C<4>,5|C<3>}	H(C[6]C[6,6]N[6]H)	109.0290	0.090	4	109.0290	0.008	4	109.4930	0.090	25	109.2555	0.489	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.4771	0.211	7	109.4771	0.045	7	109.4930	0.090	25	109.2555	0.489	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6]N[6]H)	109.5840	0.066	4	109.5242	0.012	11	109.4930	0.090	25	109.2555	0.489	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.5700	0.029	3	109.5242	0.012	11	109.4930	0.090	25	109.2555	0.489	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]N[6]H)	109.4300	0.134	4	109.5242	0.012	11	109.4930	0.090	25	109.2555	0.489	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]N[6]HH)(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]N[6]H)	110.0343	0.035	3	110.0343	0.001	3	109.4930	0.090	25	109.2555	0.489	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]H)(H)2	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(C[6]N[6]HH)(H){2|H<1>,3|C<3>}	H(C[6]C[6,6]N[6]H)	110.0995	2.227	2	110.0995	4.958	2	110.0995	4.958	2	109.2555	0.489	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]O)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]O)(C[6]C[6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|N<3>,2|O<1>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9994	1.030	5	108.9994	1.061	5	108.9994	1.061	5	109.1477	0.772	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:2:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]O[6])(N[6]C[6]S)(H)2	C[6,6](C[6,6]C[6,6]BrH)(C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6a]O[6])(N[6]C[6]S)(H)2{1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]BrH)(C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6]){1|S<4>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	109.5185	0.005	2	109.5185	0.000	2	109.5185	0.000	2	109.1477	0.772	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]N[6]O)(H)2	C[6,6](C[6,6]C[6]2H)(C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6](C[6,6]C[6]2H)(C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O){1|N<3>,2|O<1>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4640	0.017	2	108.4640	0.000	2	108.4640	0.000	2	109.1006	1.252	56	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]2)(H)2	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]2)(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO){3|C<3>,4|C<4>}	H(C[6]C[6,6]N[6]H)	109.2897	0.177	4	109.2897	0.031	4	109.1242	1.283	54	109.1006	1.252	56	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C[6,6](C[6]C[5a,6]CH)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6]C[5a,6]CH)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO){2|C<3>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.6174	0.667	5	109.6174	0.445	5	109.1242	1.283	54	109.1006	1.252	56	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO){1|N<2>,2|C<3>,4|C<4>}	H(C[6]C[6,6]N[6]H)	109.3025	1.038	33	109.0246	1.596	41	109.1242	1.283	54	109.1006	1.252	56	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO){3|C<3>,4|C<4>}	H(C[6]C[6,6]N[6]H)	107.8781	1.525	8	109.0246	1.596	41	109.1242	1.283	54	109.1006	1.252	56	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C[6,6](C[6]C[6a]P[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,1|P<4>,3|H<1>}	C[6,6](C[6]C[6a]P[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO){1|Pt<4>,3|C<3>,4|C<4>}	H(C[6]C[6,6]N[6]H)	109.3625	0.336	4	109.3625	0.113	4	109.1242	1.283	54	109.1006	1.252	56	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]H)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[6,6]N[6]H)	109.2295	0.011	2	109.2295	0.000	2	109.2295	0.000	2	109.2295	0.000	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-3:Cl-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]O)(Cl)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(O[6]C[6,6])(H)	H(C[6]C[6,6]C[6]Cl)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]O)(Cl)(H){1|C<3>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(O[6]C[6,6])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]Cl)	108.1690	0.106	2	108.1690	0.011	2	108.1690	0.011	2	109.0594	0.508	46	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]O)(H)2	C[6,6](C[3x6]C[6,6a]N[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[3x6]C[6,6a]N[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.3810	0.014	2	109.3810	0.000	2	109.3810	0.000	2	109.0594	0.508	46	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]O)(H)2	C[6,6](C[5,6,6]C[5,6,6]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]O)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,6,6]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7965	0.011	2	108.7965	0.000	2	108.7965	0.000	2	109.0594	0.508	46	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]H)(H)2{1|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3850	0.000	1	109.3850	0.000	1	109.3850	0.000	1	109.0594	0.508	46	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2610	0.006	2	109.2610	0.000	2	109.0553	0.548	37	109.0594	0.508	46	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1929	0.249	8	109.1929	0.062	8	109.0553	0.548	37	109.0594	0.508	46	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.5275	0.049	2	109.5275	0.002	2	109.0553	0.548	37	109.0594	0.508	46	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2{2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	110.2415	2.846	2	110.2415	8.100	2	109.0553	0.548	37	109.0594	0.508	46	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|O<2>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6]C[6]H)	108.7715	0.008	2	108.7715	0.000	2	109.0553	0.548	37	109.0594	0.508	46	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0045	0.023	2	109.0045	0.001	2	109.0553	0.548	37	109.0594	0.508	46	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2493	0.154	4	109.2493	0.024	4	109.0553	0.548	37	109.0594	0.508	46	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6a]C[6]O[6])(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6a]C[6]O[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5635	0.069	2	109.5635	0.005	2	109.0553	0.548	37	109.0594	0.508	46	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]O)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]O)(H)2{2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.5975	0.581	13	108.5975	0.337	13	109.0553	0.548	37	109.0594	0.508	46	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:2:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(N[6]C[6]C)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]N[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]O[6]H)(N[6]C[6]C)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]N[6]HH)(O[6]C[6])(H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]N[6]H)	109.8050	0.006	2	109.8050	0.000	2	109.8050	0.000	2	109.0594	0.508	46	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:2:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HH)(O[6]C[6])(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]O)(H)2{3|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HH)(O[6]C[6])(CH3){1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.3090	0.023	2	108.3090	0.001	2	108.3090	0.001	2	108.3090	0.001	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2{2|O<2>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[5,6]C[6,6]H)	110.5080	0.021	2	110.5080	0.000	2	110.5080	0.000	2	109.1875	0.402	108	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]N[6]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6]HH)(N[6]C[6]C)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[3x6]N[6]H)(C[6,6]C[6,6]C[6])(H)2{1|H<1>,3|C<4>,4|C<3>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]2H)	108.2220	0.038	2	108.2220	0.001	2	108.2220	0.001	2	109.1875	0.402	108	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]HH)(C[6]O[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.2385	0.016	4	109.2385	0.000	4	109.7257	0.826	6	109.1875	0.402	108	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]N)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]N)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	110.7000	1.133	2	110.7000	1.283	2	109.7257	0.826	6	109.1875	0.402	108	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,5,6]O)(H)2	C[6,6](C[5,6,6]C[5,5]O[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,5,6]O)(H)2{1|O<1>,1|O<2>,5|C<4>}	C[6,6](C[5,6,6]C[5,5]O[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6940	0.038	4	108.6940	0.001	4	108.8473	0.052	9	109.1875	0.402	108	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|I<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.3500	0.000	1	109.3500	0.000	1	108.8473	0.052	9	109.1875	0.402	108	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8750	0.145	4	108.8750	0.021	4	108.8473	0.052	9	109.1875	0.402	108	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:Br-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]Br)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(Br)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]Br)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(Br){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9933	0.050	3	108.9933	0.002	3	108.9933	0.002	3	109.1875	0.402	108	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]O)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1525	0.039	2	108.9350	0.064	4	109.2093	0.270	71	109.1875	0.402	108	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]O)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7175	0.049	2	108.9350	0.064	4	109.2093	0.270	71	109.1875	0.402	108	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,1|O<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3356	0.355	5	109.3356	0.126	5	109.2093	0.270	71	109.1875	0.402	108	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2{3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	110.0965	0.022	2	109.9188	0.055	9	109.2093	0.270	71	109.1875	0.402	108	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2{3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.8680	0.245	7	109.9188	0.055	9	109.2093	0.270	71	109.1875	0.402	108	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0900	0.024	2	109.0900	0.001	2	109.2093	0.270	71	109.1875	0.402	108	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2598	0.082	6	109.1971	0.063	12	109.2093	0.270	71	109.1875	0.402	108	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1343	0.350	6	109.1971	0.063	12	109.2093	0.270	71	109.1875	0.402	108	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.5425	0.032	2	108.5282	0.001	4	109.2093	0.270	71	109.1875	0.402	108	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.5140	0.008	2	108.5282	0.001	4	109.2093	0.270	71	109.1875	0.402	108	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2335	0.050	2	109.2335	0.003	2	109.2093	0.270	71	109.1875	0.402	108	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2865	0.021	2	109.2865	0.000	2	109.2093	0.270	71	109.1875	0.402	108	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3842	0.020	4	109.3842	0.000	4	109.2093	0.270	71	109.1875	0.402	108	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|Br<1>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3250	0.042	2	109.3250	0.002	2	109.2093	0.270	71	109.1875	0.402	108	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	107.3020	0.898	2	107.3020	0.806	2	109.2093	0.270	71	109.1875	0.402	108	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.1875	0.032	2	109.1875	0.001	2	109.2093	0.270	71	109.1875	0.402	108	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.2870	0.011	2	109.2870	0.000	2	109.2093	0.270	71	109.1875	0.402	108	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|H<1>,2|N<3>}	H(C[6]C[6,6]C[6]H)	109.1350	0.008	2	109.1350	0.000	2	109.2093	0.270	71	109.1875	0.402	108	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9835	0.009	2	108.9835	0.000	2	109.2093	0.270	71	109.1875	0.402	108	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3560	0.025	2	109.3560	0.001	2	109.2093	0.270	71	109.1875	0.402	108	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.0030	0.206	3	109.2313	0.260	7	109.2093	0.270	71	109.1875	0.402	108	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.8835	0.029	2	109.2313	0.260	7	109.2093	0.270	71	109.1875	0.402	108	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.5510	0.000	1	109.2313	0.260	7	109.2093	0.270	71	109.1875	0.402	108	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.2920	0.000	1	109.2313	0.260	7	109.2093	0.270	71	109.1875	0.402	108	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]N)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]N)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	H(C[6]C[6,6]C[6]H)	109.5140	0.000	1	109.5140	0.000	1	109.2093	0.270	71	109.1875	0.402	108	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.7770	0.000	1	108.7770	0.000	1	109.2093	0.270	71	109.1875	0.402	108	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1435	0.035	2	109.1435	0.001	2	109.2093	0.270	71	109.1875	0.402	108	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2	C[6,6](C[6,6]C[6a]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6a]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.2935	0.005	2	109.2935	0.000	2	109.2093	0.270	71	109.1875	0.402	108	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.2130	0.000	1	108.2130	0.000	1	108.7369	0.652	11	109.1875	0.402	108	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.3625	0.071	2	109.1532	0.060	4	108.7369	0.652	11	109.1875	0.402	108	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.9440	0.021	2	109.1532	0.060	4	108.7369	0.652	11	109.1875	0.402	108	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]S)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	H(C[6]C[6,6]C[6]H)	108.0445	1.323	2	108.0445	1.750	2	108.7369	0.652	11	109.1875	0.402	108	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0020	0.006	2	109.0020	0.000	2	108.7369	0.652	11	109.1875	0.402	108	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]O[6]O)(H)2	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]O[6]O)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.5935	1.576	2	108.5935	2.484	2	108.7369	0.652	11	109.1875	0.402	108	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)(C[6]C[6]C)(H){1|O<1>,1|S<4>,3|C<4>}	H(C[6]C[6,6]N[6]H)	110.0270	0.008	2	110.0270	0.000	2	110.0497	0.002	3	109.1875	0.402	108	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]C[6]C)(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]N[6]H)	110.0950	0.000	1	110.0950	0.000	1	110.0497	0.002	3	109.1875	0.402	108	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(N[6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]N[6]H)(N[6]C[6]H)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)(N[6]C[6]C)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]N[6]H)	109.7130	0.000	1	109.7130	0.000	1	109.7130	0.000	1	109.1875	0.402	108	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[3,6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]O)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6,6]HH)(C[6]C[6]H)(OH)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[3,6,6]C[6]O)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6,6]HH)(C[6]C[6]H)(OH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]2H)	108.8585	0.025	2	108.8585	0.001	2	108.8585	0.001	2	108.5355	1.529	12	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]O)(H)2	C[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]H)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]H)(OH){1|N<2>,1|O<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.3417	0.140	4	108.3417	0.020	4	108.3417	0.020	4	108.5355	1.529	12	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]C)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OH){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4775	0.045	2	109.4775	0.002	2	109.4775	0.002	2	108.5355	1.529	12	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:N[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]H)(H)2	C[6,6](C[6]C[6]HH)2(C[6]N[6]O)(N[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]H)(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6]C[6]HH)2(C[6]N[6]O)(N[6]C[6]){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.0968	2.149	4	108.0968	4.619	4	108.0968	4.619	4	108.5355	1.529	12	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]C)(H)2	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(COO){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	107.3725	0.306	2	107.3725	0.094	2	107.3725	0.094	2	109.4935	0.773	20	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(COO){2|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	108.8870	0.149	3	108.8870	0.022	3	108.8870	0.022	3	109.4935	0.773	20	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]C)(H)2	C[6,6](C[6]C[6]HH)2(C[6]N[6]O)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,2|N<3>,3|O<1>}	C[6,6](C[6]C[6]HH)2(C[6]N[6]O)2{2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.2980	0.340	3	109.2980	0.115	3	109.2980	0.115	3	109.4935	0.773	20	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(N[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]CH)(C[6]N[6]HH)(C[6]C[6]H)(NOO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]N)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]CH)(C[6]N[6]HH)(C[6]C[6]H)(NOO){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6,6]N[6]H)	109.8840	0.081	4	109.8840	0.007	4	110.0856	0.054	8	109.4935	0.773	20	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(N[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]CH)(C[6]N[6]HH)(C[6]C[6]O)(NOO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]N)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]CH)(C[6]N[6]HH)(C[6]C[6]O)(NOO){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6,6]N[6]H)	110.2873	0.102	4	110.2873	0.010	4	110.0856	0.054	8	109.4935	0.773	20	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(N[6]C[6]S)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(C[6]C[6]H)2	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6]3)(N[6]C[6]S)(H)2{1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(C[6]C[6]H)2{1|Br<1>,1|C<4>,1|S<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]N[6]H)	109.9710	0.010	4	109.9710	0.000	4	109.9710	0.000	4	109.4935	0.773	20	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]2H)	109.3600	0.000	1	109.4810	0.011	3	109.4810	0.011	3	109.2247	0.554	41	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]2H)	109.5415	0.028	2	109.4810	0.011	3	109.4810	0.011	3	109.2247	0.554	41	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6]2H)	108.9390	0.023	2	108.9390	0.001	2	108.9390	0.001	2	109.2247	0.554	41	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]C)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]H)(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]C)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.3575	0.028	2	109.3575	0.001	2	109.3575	0.001	2	109.2247	0.554	41	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CCCH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CCCH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7540	0.028	2	108.7540	0.001	2	109.0682	1.126	19	109.2247	0.554	41	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5120	1.130	2	108.8468	1.016	4	109.0682	1.126	19	109.2247	0.554	41	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.1815	0.013	2	108.8468	1.016	4	109.0682	1.126	19	109.2247	0.554	41	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CHHS)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CHHS){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.6000	0.031	2	108.6000	0.001	2	109.0682	1.126	19	109.2247	0.554	41	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)(CH3){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5353	0.105	3	109.5353	0.011	3	109.0682	1.126	19	109.2247	0.554	41	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.5390	0.025	2	109.1993	2.225	8	109.0682	1.126	19	109.2247	0.554	41	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|Br<1>,1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6,6]C[6]H)	109.2570	3.782	2	109.1993	2.225	8	109.0682	1.126	19	109.2247	0.554	41	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|I<1>,2|H<1>,2|O<1>}	H(C[6]C[6,6]C[6]H)	109.5005	0.101	4	109.1993	2.225	8	109.0682	1.126	19	109.2247	0.554	41	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]C)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]N[6]HH)(C[6]O[6]O)(CCHH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]N[6]HH)(C[6]O[6]O)(CCHH){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]N[6]H)	109.3455	0.115	4	109.3455	0.013	4	109.3002	0.013	6	109.2247	0.554	41	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]H)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]N[6]HH)(C[6]O[6]O)(CCHH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]H)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6]N[6]HH)(C[6]O[6]O)(CCHH){3|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	109.2095	0.021	2	109.2095	0.000	2	109.3002	0.013	6	109.2247	0.554	41	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]HO)(C[6]N[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]N[6]HH)(C[6]C[6]O)(CH3){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.7360	0.000	1	109.7360	0.000	1	109.5107	0.054	7	109.2247	0.554	41	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]N[6]HH)(C[6]N[6]O)(CHHO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]N[6]HH)(C[6]N[6]O)(CHHO){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]N[6]H)	109.4732	0.231	6	109.4732	0.053	6	109.5107	0.054	7	109.2247	0.554	41	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:Si[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]Si[6])(N[6]C[6]S)(H)2	C[6,6](C[6,6]C[6,6]HH)(Si[6]O[6]CC)(C[6a]C[6a]2)(C[6]N[6]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6a]Si[6])(N[6]C[6]S)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(Si[6]O[6]CC)(C[6a]C[6a]2)(C[6]N[6]HH){1|Si<4>,1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]N[6]H)	109.2530	0.030	2	109.2530	0.001	2	109.2530	0.001	2	109.2247	0.554	41	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2{1|C<3>,1|H<1>,2|O<2>,6|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.7095	0.019	2	109.7095	0.000	2	109.8037	0.089	16	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CO)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2{1|C<3>,3|O<2>,6|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CO)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6,6]H)	110.2835	0.006	2	110.0305	0.150	6	109.8037	0.089	16	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CO)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2{2|C<3>,2|O<2>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CO)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.5315	0.015	2	110.0305	0.150	6	109.8037	0.089	16	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CO)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2{3|C<3>,3|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CO)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6,6]H)	110.2765	0.035	2	110.0305	0.150	6	109.8037	0.089	16	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]N[5])(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]N[5])(H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.6573	0.108	8	109.6573	0.012	8	109.8037	0.089	16	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[5a,6]-3:H-1:H-1:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[5a,6]C[5a,6]O[5a])(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[3x6]C[6,6]2H)(C[6]C[5a,6]HH)(H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[5a,6]C[5a,6]O[5a])(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[3x6]C[6,6]2H)(C[6]C[5a,6]HH)(H){1|C<3>,1|N<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.5270	0.000	1	109.5270	0.000	1	109.5270	0.000	1	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[5a,6]-3:H-1:H-1:	C[6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[5a,6]C[5a,6]O[5a])(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2H)(C[6]C[5a,6]HH)(H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[5a,6]C[5a,6]O[5a])(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2H)(C[6]C[5a,6]HH)(H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.3340	0.018	2	109.3340	0.000	2	109.3340	0.000	2	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6,6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6,6]HH)(C[6]N[6]HH)(H){1|C<3>,1|S<4>,2|H<1>,4|C<4>}	H(C[6]C[6,6]2H)	108.9440	0.004	2	108.9440	0.000	2	108.8236	0.039	8	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N[6])(H)2	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N[6])(H)2{1|C<3>,3|H<1>,5|C<4>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]2H)	108.6478	0.067	4	108.6478	0.004	4	108.8236	0.039	8	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N[6])(H)2	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N[6])(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]2H)	109.0550	0.008	2	109.0550	0.000	2	108.8236	0.039	8	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6,6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]2H)	107.6910	1.782	2	107.6910	3.175	2	109.1903	0.569	16	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]2H)	109.5240	0.025	2	109.4106	0.019	12	109.1903	0.569	16	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]2H)	109.3879	0.142	10	109.4106	0.019	12	109.1903	0.569	16	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]O[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)2{1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]O[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]2H)	109.3675	0.022	2	109.3675	0.000	2	109.1903	0.569	16	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]HH)(C[6]O[6]HH)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]HH)(C[6]O[6]HH)(H){1|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	108.9790	0.106	3	108.9790	0.011	3	108.9790	0.011	3	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6,6a]2)(H)2	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6,6a]2)(H)2{2|C<3>,2|O<2>,5|C<4>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.5980	0.033	4	109.6025	0.003	11	109.6025	0.003	11	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6,6a]2)(H)2	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6,6a]2)(H)2{2|C<3>,2|O<2>,5|C<4>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H){1|C<4>,1|I<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.5543	0.035	3	109.6025	0.003	11	109.6025	0.003	11	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6,6a]2)(H)2	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6,6a]2)(H)2{2|C<3>,2|O<2>,5|C<4>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.5965	0.011	2	109.6025	0.003	11	109.6025	0.003	11	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6,6a]2)(H)2	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6,6a]2)(H)2{2|C<3>,2|O<2>,5|C<4>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.6895	0.005	2	109.6025	0.003	11	109.6025	0.003	11	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:Br-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(Br)(H)	C[6,6](C[6,6]C[6,6]BrH)(C[6]C[6]BrH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]Br)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(Br)(H){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]BrH)(C[6]C[6]BrH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]Br)	106.1410	0.000	1	106.1410	0.000	1	107.2497	0.925	3	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:Br-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(Br)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]BrH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]Br)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(Br)(H){1|Br<1>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]BrH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]Br)	107.8040	0.085	2	107.8040	0.007	2	107.2497	0.925	3	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:Cl-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(Cl)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]Cl)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(Cl)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]Cl)	107.8985	0.004	2	107.8985	0.000	2	107.8985	0.000	2	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]O[6]O)(H)2	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]O[6]O)(H)2{1|O<2>,5|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.2448	0.285	6	108.2448	0.081	6	108.2448	0.081	6	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4417	0.058	3	109.4417	0.003	3	109.4417	0.003	3	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]H)(H)2	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1110	0.054	2	109.1110	0.003	2	109.1110	0.003	2	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]2)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]2)(H)2{3|C<4>,3|N<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2970	0.006	2	109.2970	0.000	2	109.2970	0.000	2	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]O)(H)2	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]O)(H)2{1|Cl<1>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.0850	0.004	2	108.3417	0.089	4	109.2072	0.804	62	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]O)(H)2	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]O)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.5985	0.047	2	108.3417	0.089	4	109.2072	0.804	62	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2{3|H<1>,5|C<4>}	C[6,6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.9587	0.015	6	109.9587	0.000	6	109.2072	0.804	62	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[3x6]C[4x6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2{4|C<4>,4|H<1>}	C[6,6](C[3x6]C[4x6]C[6]H)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8347	0.044	3	108.8347	0.002	3	109.2072	0.804	62	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[3x6]C[4x6]C[6]O)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[4x6]C[6]O)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9420	0.049	2	108.9420	0.002	2	109.2072	0.804	62	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[3x6]C[4x6]O[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[4x6]O[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	107.9830	0.000	1	107.9830	0.000	1	109.2072	0.804	62	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.6230	0.086	4	109.6230	0.007	4	109.2072	0.804	62	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]2)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]2)(H)2{2|N<3>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3600	0.058	2	109.3600	0.003	2	109.2072	0.804	62	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]2)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]2)(H)2{2|C<4>,3|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3380	0.041	2	109.3380	0.002	2	109.2072	0.804	62	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]C)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]C)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4486	0.046	5	109.4486	0.002	5	109.2072	0.804	62	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2{3|C<4>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0950	0.557	2	109.8453	1.185	12	109.2072	0.804	62	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2{3|C<4>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.9953	1.124	10	109.8453	1.185	12	109.2072	0.804	62	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9360	0.007	2	108.9360	0.000	2	109.2072	0.804	62	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8860	0.013	2	109.7395	1.547	6	109.2072	0.804	62	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<4>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2600	0.004	2	109.7395	1.547	6	109.2072	0.804	62	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	111.0725	1.504	2	109.7395	1.547	6	109.2072	0.804	62	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(H)2	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.2455	0.009	2	108.2455	0.000	2	109.2072	0.804	62	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.4160	0.037	5	108.4160	0.001	5	109.2072	0.804	62	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(H)2	C[6,6](C[3x6]C[6,6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(H)2{1|O<2>,5|C<4>}	C[6,6](C[3x6]C[6,6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.0055	0.274	4	108.0055	0.075	4	109.2072	0.804	62	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(H)2	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,3|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.5905	0.069	2	108.5905	0.005	2	109.2072	0.804	62	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[4,5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[4,5,6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[4,5,6,6]C[4,6]N[4,5]N[5,6])(C[6]C[6,6a]CO)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4,5,6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|N<3>}	C[6,6](C[4,5,6,6]C[4,6]N[4,5]N[5,6])(C[6]C[6,6a]CO)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	H(C[6]C[6,6]C[6]H)	108.6615	0.026	2	108.6615	0.001	2	108.6615	0.001	2	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[4,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]C)(H)2	C[6,6](C[4,6,6]C[4,6]N[4,5]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]C)(H)2{1|N<4>,3|C<4>,3|H<1>}	C[6,6](C[4,6,6]C[4,6]N[4,5]C[6])(C[6]C[6]HH)2(H){1|B<4>,1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	107.9825	0.023	2	107.9825	0.001	2	108.0958	0.008	6	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[4,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]C)(H)2	C[6,6](C[4,6,6]C[4,6]N[4,6]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]C)(H)2{1|N<4>,3|C<4>,3|H<1>}	C[6,6](C[4,6,6]C[4,6]N[4,6]C[6])(C[6]C[6]HH)2(H){1|B<4>,1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.1525	0.026	4	108.1525	0.001	4	108.0958	0.008	6	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[4,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[4,6]C[6,6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[4,6]C[4,6]C[4]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4,6]C[6,6]H)(C[6]C[6,6]O)(H)2{8|C<4>}	C[6,6](C[4,6]C[4,6]C[4]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.6880	0.000	1	109.6880	0.000	1	109.6880	0.000	1	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[4x6]C[6,6]H)(C[6]C[6]H)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4x6]C[6,6]H)(C[6]C[6]H)(H)2{7|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.2070	0.000	1	109.2070	0.000	1	109.2070	0.000	1	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9032	0.097	4	108.9032	0.009	4	108.8695	0.009	6	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[5,5,6,6]C[5,5,6]O[5,6]2)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[6,6](C[5,5,6,6]C[5,5,6]O[5,6]2)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.8020	0.030	2	108.8020	0.001	2	108.8695	0.009	6	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,5,6]C[6,6]H)(C[6]C[6]O)(H)2	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6]C[6,6]H)(C[6]C[6]O)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<4>,2|O<1>,2|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8620	0.057	2	108.8620	0.003	2	108.8620	0.003	2	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.6330	0.031	2	109.6330	0.001	2	109.6330	0.001	2	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]O)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]O)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<1>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.0070	0.406	6	107.9829	0.120	8	108.4461	0.403	14	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]O)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]O)(H)2{1|H<1>,3|C<4>,4|C<3>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,2|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	107.9105	0.043	2	107.9829	0.120	8	108.4461	0.403	14	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]C)(H)2	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2375	0.098	4	109.2375	0.010	4	108.4461	0.403	14	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]O[6]O)(H)2	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]O[6]O)(H)2{1|O<2>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7160	0.047	2	108.7160	0.002	2	108.4461	0.403	14	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]C)(H)2	C[6,6](C[5,6,6]C[5,6,6]N[5]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]C)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6,6]N[5]C)(C[6]C[6]HH)2(H){1|C<3>,1|H<1>,1|O<1>,1|S<4>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.3125	0.042	2	109.3125	0.002	2	109.0141	0.539	37	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]H)(H)2	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]H)(H)2{2|C<3>,5|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.4540	0.314	2	108.4540	0.099	2	109.0141	0.539	37	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]O)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]O)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,2|N<3>,7|H<1>}	H(C[6]C[6,6]C[6]H)	110.7165	2.399	2	109.1364	2.228	7	109.0141	0.539	37	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]O)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]O)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,2|O<1>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7917	0.015	3	109.1364	2.228	7	109.0141	0.539	37	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]O)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]O)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H){1|C<3>,2|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.0735	0.016	2	109.1364	2.228	7	109.0141	0.539	37	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.3485	0.243	4	108.3485	0.059	4	109.0141	0.539	37	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3755	0.030	2	109.3755	0.001	2	109.0141	0.539	37	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2780	0.020	2	109.4317	0.032	4	109.0141	0.539	37	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2{2|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.5855	0.016	2	109.4317	0.032	4	109.0141	0.539	37	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)2(H){1|O<2>,3|C<3>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.5700	0.007	2	109.5700	0.000	2	109.0141	0.539	37	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[5,6,6]C[5,6,6]N[5]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6,6]N[5]C)(C[6]C[6]HH)2(H){1|C<3>,1|H<1>,1|O<1>,1|S<4>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7865	0.019	2	108.7865	0.000	2	109.0141	0.539	37	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2{3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1975	0.036	2	109.1178	0.018	6	109.0141	0.539	37	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2{3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0780	0.154	4	109.1178	0.018	6	109.0141	0.539	37	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[5,6,6]C[5,6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.5422	0.177	4	108.5422	0.031	4	109.0141	0.539	37	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.2865	0.032	2	109.2865	0.001	2	109.0141	0.539	37	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,5,6]O)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,5,6]O)(H)2{2|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.6320	0.013	2	108.6320	0.000	2	108.9599	0.152	331	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]H)(H)2{1|C<3>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.1330	0.088	4	108.1330	0.008	4	108.9599	0.152	331	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]H)(H)2	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]H)(H)2{1|C<2>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.5863	0.108	4	108.5863	0.012	4	108.9599	0.152	331	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]C)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0870	0.020	2	108.9317	0.032	4	108.9599	0.152	331	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]C)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){4|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.7765	0.021	2	108.9317	0.032	4	108.9599	0.152	331	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.0255	0.025	2	109.0255	0.001	2	108.9599	0.152	331	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.5542	0.043	6	108.6229	0.020	19	108.9599	0.152	331	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.6805	0.128	6	108.6229	0.020	19	108.9599	0.152	331	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.6023	0.156	3	108.6229	0.020	19	108.9599	0.152	331	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{2|C<3>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8585	0.016	2	108.6229	0.020	19	108.9599	0.152	331	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{2|C<3>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.4520	0.021	2	108.6229	0.020	19	108.9599	0.152	331	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.9257	0.213	9	109.0052	0.076	253	108.9599	0.152	331	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9715	0.047	2	109.0052	0.076	253	108.9599	0.152	331	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0300	0.097	5	109.0052	0.076	253	108.9599	0.152	331	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2320	0.008	2	109.0052	0.076	253	108.9599	0.152	331	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8375	0.046	2	109.0052	0.076	253	108.9599	0.152	331	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.9822	0.258	168	109.0052	0.076	253	108.9599	0.152	331	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0259	0.193	23	109.0052	0.076	253	108.9599	0.152	331	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0990	0.388	42	109.0052	0.076	253	108.9599	0.152	331	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.2225	0.025	2	109.2225	0.001	2	108.9599	0.152	331	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]N)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]N)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|N<2>,4|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.7865	0.026	2	109.5855	0.147	6	108.9599	0.152	331	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]N)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]N)(H)2{3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|N<2>,4|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.4850	0.453	4	109.5855	0.147	6	108.9599	0.152	331	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.5231	0.289	8	108.8435	0.163	25	108.9599	0.152	331	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.7248	0.284	4	108.8435	0.163	25	108.9599	0.152	331	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9170	0.008	2	108.8435	0.163	25	108.9599	0.152	331	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2{3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.1063	0.381	11	108.8435	0.163	25	108.9599	0.152	331	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]C)(H)2	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]C)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7270	0.008	2	108.7270	0.000	2	108.9599	0.152	331	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(H)2{2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.9000	0.008	2	108.9000	0.000	2	108.9599	0.152	331	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(H)2	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7345	0.022	2	108.7345	0.000	2	108.9599	0.152	331	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]N[6]O)(H)2	C[6,6](C[5,6]C[5a,6]S[5]2)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]N[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>,2|S<2>}	C[6,6](C[5,6]C[5a,6]S[5]2)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|N<3>}	H(C[6]C[6,6]C[6]H)	108.9735	2.336	4	108.9735	5.457	4	108.9599	0.152	331	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]C)(H)2{1|C<3>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2C)(C[6]C[6]HH)(H){2|O<2>,3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8180	0.016	2	108.8180	0.000	2	108.8180	0.000	2	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]H)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]H)(H)2{1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.5780	0.115	4	108.5780	0.013	4	108.8147	0.143	6	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2{2|C<3>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H){2|O<1>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2880	0.030	2	109.2880	0.001	2	108.8147	0.143	6	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]H)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]H)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.6210	0.057	2	108.6210	0.003	2	108.8737	0.772	153	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]N)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]N)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|N<2>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9120	0.004	2	108.9120	0.000	2	108.8737	0.772	153	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|O<1>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.9995	0.183	2	109.2551	0.261	16	108.8737	0.772	153	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1090	0.040	2	109.2551	0.261	16	108.8737	0.772	153	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.8240	0.045	2	109.2551	0.261	16	108.8737	0.772	153	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7692	0.210	4	109.2551	0.261	16	108.8737	0.772	153	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1898	0.441	6	109.2551	0.261	16	108.8737	0.772	153	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,2|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	110.2585	0.115	2	110.2585	0.013	2	108.8737	0.772	153	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]C)(H)2	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]C)(H)2{3|C<3>,5|C<4>}	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.4930	0.027	2	109.4930	0.001	2	108.8737	0.772	153	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]C)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]C)(H)2{1|C<3>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.8245	0.023	2	109.5242	0.120	4	108.8737	0.772	153	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]C)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]C)(H)2{3|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.2240	0.008	2	109.5242	0.120	4	108.8737	0.772	153	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	107.6640	2.085	6	108.6824	0.666	62	108.8737	0.772	153	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2{7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7876	0.546	38	108.6824	0.666	62	108.8737	0.772	153	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2{7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8000	0.242	18	108.6824	0.666	62	108.8737	0.772	153	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7840	0.023	2	109.1006	0.067	8	108.8737	0.772	153	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2870	0.199	4	109.1006	0.067	8	108.8737	0.772	153	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0445	0.036	2	109.1006	0.067	8	108.8737	0.772	153	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0705	0.018	2	109.0705	0.000	2	108.8737	0.772	153	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|O<1>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.1382	0.183	4	108.1382	0.034	4	108.8737	0.772	153	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(H)2{1|C<3>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7330	0.035	2	108.7330	0.001	2	108.8737	0.772	153	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9335	0.028	2	109.4405	9.140	4	108.8737	0.772	153	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.9475	5.137	2	109.4405	9.140	4	108.8737	0.772	153	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.6328	0.227	4	109.1477	1.113	16	108.8737	0.772	153	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.9065	0.054	4	109.1477	1.113	16	108.8737	0.772	153	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.1125	0.032	2	109.1477	1.113	16	108.8737	0.772	153	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2{3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1885	0.063	2	109.1477	1.113	16	108.8737	0.772	153	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2{7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.1110	0.059	2	109.1477	1.113	16	108.8737	0.772	153	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2{7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	111.6910	0.382	2	109.1477	1.113	16	108.8737	0.772	153	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6775	0.234	4	109.0593	0.619	10	108.8737	0.772	153	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|O<1>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.8700	0.492	4	109.0593	0.619	10	108.8737	0.772	153	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]O)(H)2{2|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.2015	0.021	2	109.0593	0.619	10	108.8737	0.772	153	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]N[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,2|O<1>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6498	0.203	10	108.6498	0.041	10	108.8737	0.772	153	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]O[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]O[6]O)(H)2{1|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	107.9980	0.199	3	108.0324	0.023	5	108.8737	0.772	153	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]O[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]O[6]O)(H)2{1|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.0840	0.064	2	108.0324	0.023	5	108.8737	0.772	153	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]O[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]O[6]O)(H)2{1|O<2>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,3|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.1350	0.055	2	108.1350	0.003	2	108.8737	0.772	153	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6,6]O)(H)2	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6,6]O)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.4980	0.000	1	108.4980	0.000	1	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]O)(H)2	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]O)(H)2{8|C<4>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2675	0.025	2	109.2675	0.001	2	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9297	0.109	8	109.0252	0.075	18	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8805	0.196	4	109.0252	0.075	18	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)2{7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4758	0.055	4	109.0252	0.075	18	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)2{7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7955	0.011	2	109.0252	0.075	18	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.7890	0.000	1	108.9950	0.008	9	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0208	0.049	8	108.9950	0.008	9	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.2770	0.021	2	108.2770	0.000	2	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0149	0.258	16	109.1493	0.110	62	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1376	0.348	16	109.1493	0.110	62	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4985	0.143	4	109.1493	0.110	62	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.5175	0.015	2	109.1493	0.110	62	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9690	0.000	1	109.1493	0.110	62	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2814	0.334	16	109.1493	0.110	62	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3407	0.177	3	109.1493	0.110	62	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0730	0.176	4	109.1493	0.110	62	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|O<2>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2993	0.180	3	109.2993	0.033	3	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0485	0.015	2	109.2267	0.042	4	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4050	0.011	2	109.2267	0.042	4	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1127	0.085	3	109.1127	0.007	3	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.9388	1.544	6	109.9388	2.384	6	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]CH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]CH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8035	0.018	2	108.8035	0.000	2	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0325	0.006	2	109.0325	0.000	2	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9320	0.014	2	109.1354	1.717	35	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.1880	0.277	6	109.1354	1.717	35	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.1782	0.056	4	109.1354	1.717	35	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.6427	0.977	6	109.1354	1.717	35	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|O<2>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4113	0.032	3	109.1354	1.717	35	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	110.1695	2.415	4	109.1354	1.717	35	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.0355	0.011	2	109.1354	1.717	35	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{2|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6,6]C[6]H)	109.6470	0.062	2	109.1354	1.717	35	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|Si<4>,1|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6,6]C[6]H)	109.5700	2.502	2	109.1354	1.717	35	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{3|C<4>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	H(C[6]C[6,6]C[6]H)	109.6905	1.798	4	109.1354	1.717	35	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|C<2>,1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	107.9310	0.029	4	109.4988	2.637	10	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3960	0.549	2	109.4988	2.637	10	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	111.1180	1.015	4	109.4988	2.637	10	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4000	0.140	7	109.4000	0.020	7	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2721	1.222	10	109.5403	1.113	26	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.2580	0.006	2	109.5403	1.113	26	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,2|H<1>,2|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.9165	2.443	2	109.5403	1.113	26	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|Si<4>,1|C<3>,1|H<1>,2|C<4>,2|O<1>}	H(C[6]C[6,6]C[6]H)	108.9425	0.039	2	109.5403	1.113	26	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	110.1094	0.138	10	109.5403	1.113	26	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1715	0.035	2	109.1715	0.001	2	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]H)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]H)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2240	0.000	1	109.2240	0.000	1	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.7900	0.008	2	109.7900	0.000	2	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5085	0.052	8	109.2315	0.177	19	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0174	0.363	5	109.2315	0.177	19	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2{3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9805	0.053	2	109.2315	0.177	19	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2{3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	H(C[6]C[6,6]C[6]H)	109.6955	0.046	2	109.2315	0.177	19	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2{3|C<4>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.4455	0.008	2	109.2315	0.177	19	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.6020	0.004	2	108.6020	0.000	2	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[6,6]C[6]H)	108.4813	0.049	3	108.4813	0.002	3	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9970	0.000	1	108.9970	0.000	1	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]B[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|B<4>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]B[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6220	0.154	4	108.6220	0.024	4	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.2045	0.013	2	109.2045	0.000	2	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.1905	0.006	2	109.1905	0.000	2	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[6,6]C[6]H)	108.5920	0.004	2	108.5920	0.000	2	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|O<1>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	102.5302	7.359	2	106.8849	22.261	6	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0623	0.293	4	106.8849	22.261	6	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8915	0.070	2	108.8530	0.006	4	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8145	0.086	2	108.8530	0.006	4	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]CH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]CH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8960	0.034	2	108.8960	0.001	2	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.4775	0.077	4	108.4775	0.006	4	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6a]C[6]O[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6a]C[6]O[6])(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1875	0.004	2	109.1875	0.000	2	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Cl)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Cl)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2168	0.215	4	109.2168	0.046	4	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0940	0.045	2	109.0940	0.002	2	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8420	0.000	1	108.8420	0.000	1	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.6570	0.052	2	108.6570	0.003	2	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8610	0.013	2	108.8610	0.000	2	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7227	0.248	4	108.7227	0.061	4	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]CC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|N<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]CC)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7580	0.051	2	108.7580	0.003	2	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.7115	0.721	4	108.7115	0.520	4	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4365	0.043	2	108.5405	3.694	10	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2225	0.032	2	108.5405	3.694	10	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{7|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1000	0.177	2	108.5405	3.694	10	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{7|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	107.4718	2.914	4	108.5405	3.694	10	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0640	0.000	1	108.9530	0.009	3	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8975	0.011	2	108.9530	0.009	3	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2290	0.000	1	109.2290	0.000	1	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<2>,1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3470	0.000	1	108.9003	11.245	3	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.6770	4.711	2	108.9003	11.245	3	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1130	0.000	1	109.3761	0.057	13	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5537	0.100	6	109.3761	0.057	13	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2423	0.234	6	109.3761	0.057	13	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9285	0.005	2	108.9920	0.003	6	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0500	0.025	2	108.9920	0.003	6	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H){2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9975	0.016	2	108.9920	0.003	6	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1070	0.058	2	109.1015	0.001	4	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0960	0.017	2	109.1015	0.001	4	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1950	0.017	2	109.1950	0.000	2	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	110.2330	1.595	2	110.2330	2.545	2	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9980	0.050	4	108.9980	0.002	4	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2780	0.000	1	109.2393	0.001	3	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|N<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2200	0.013	2	109.2393	0.001	3	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2{2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.4708	0.535	4	109.4708	0.286	4	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2	C[6,6](C[6,6]O[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]O[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9745	0.016	2	108.9745	0.000	2	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1620	0.040	2	109.1620	0.002	2	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.7113	0.047	4	109.7113	0.002	4	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9425	0.202	4	108.9425	0.041	4	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	110.8670	0.461	2	110.8670	0.213	2	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,1|O<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.4765	0.011	2	109.4765	0.000	2	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0167	0.021	3	108.9181	2.756	55	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1055	0.015	2	108.9181	2.756	55	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.9516	1.548	10	108.9181	2.756	55	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|N<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2195	0.018	2	108.9181	2.756	55	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0793	0.066	3	108.9181	2.756	55	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2155	0.026	2	108.9181	2.756	55	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.5337	1.864	33	108.9181	2.756	55	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3900	0.027	2	109.3900	0.001	2	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.6192	0.143	4	109.2347	0.347	12	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9732	0.150	4	109.2347	0.347	12	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1115	0.959	4	109.2347	0.347	12	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]H)	108.0765	0.030	2	108.0765	0.001	2	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CN)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|N<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|S<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.5500	0.010	2	108.5500	0.000	2	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]O[6]CC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.9035	0.005	2	108.9035	0.000	2	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.7850	0.000	1	109.3337	1.724	3	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.6080	1.731	2	109.3337	1.724	3	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.5735	0.035	2	108.5735	0.001	2	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.7725	0.009	2	109.7725	0.000	2	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0373	0.113	4	109.0373	0.013	4	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)(C[6]C[6]SS)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|S<4>}	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)(C[6]C[6]SS)(H){1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.0100	0.000	1	108.0100	0.000	1	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.8580	0.000	1	108.8580	0.000	1	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2915	0.050	2	108.9555	0.152	4	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.6195	0.046	2	108.9555	0.152	4	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,2|O<1>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7170	0.220	3	108.9992	0.133	11	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){2|C<4>,2|O<1>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2250	0.016	2	108.9992	0.133	11	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>}	H(C[6]C[6,6]C[6]H)	108.8085	0.035	2	108.9992	0.133	11	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7855	0.029	2	108.9992	0.133	11	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.6010	0.033	2	108.9992	0.133	11	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.6960	2.411	2	109.6960	5.814	2	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	H(C[6]C[6,6]C[6]H)	109.4860	0.008	2	109.4860	0.000	2	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.7105	0.016	2	108.9619	0.158	20	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9287	0.166	3	108.9619	0.158	20	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6,6]C[6]H)	108.1195	0.013	2	108.9619	0.158	20	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9513	0.123	3	108.9619	0.158	20	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5710	0.051	2	108.9619	0.158	20	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0995	0.261	8	108.9619	0.158	20	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6])(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6])(H)2{2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.5715	0.054	2	108.5715	0.003	2	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6])(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6])(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(C[6]C[6,6]C[6]H)	108.7700	0.026	3	108.7700	0.001	3	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]O)(H)2	C[6,6](C[6,6]C[5,5,6,6]CH)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]O)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,5,6,6]CH)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,2|N<3>}	H(C[6]C[6,6]C[6]H)	107.7255	0.019	2	107.7255	0.000	2	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6,6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6,6]O)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4133	0.187	6	109.4133	0.035	6	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6,6]C[6]H)	107.8572	0.081	4	107.8572	0.007	4	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	H(C[6]C[6,6]C[6]H)	107.5100	0.048	2	107.5100	0.002	2	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2{6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.0245	0.019	2	108.0245	0.000	2	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	107.6110	0.045	2	107.6110	0.002	2	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2{2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.0950	0.052	2	108.0950	0.003	2	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2{2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.2210	0.000	1	108.2210	0.000	1	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7655	0.012	2	108.7655	0.000	2	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.0460	0.004	2	109.6535	4.093	6	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2{3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6995	0.028	2	109.6535	4.093	6	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2{3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	112.2150	0.593	2	109.6535	4.093	6	109.0509	1.192	503	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6,6](C[6]C[5]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6]C[5]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2465	0.012	2	109.2465	0.000	2	109.2465	0.000	2	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6,6](N[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](N[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8755	0.008	2	108.8755	0.000	2	108.8755	0.000	2	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[5,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6]C[5])(H)2	C[6,6](C[6,6]C[6]2H)(C[6]N[5,6]HH)(C[6]O[6]CH)(H)	H(C[6]C[6,6]N[5,6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6]C[5])(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[5,6]HH)(C[6]O[6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]N[5,6]H)	109.3991	0.145	8	109.3991	0.021	8	109.3991	0.021	8	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:C[3,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6]C[3x6]H)(N[6,6]C[6,6]C[6])(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3,6]C[3,6]O[3]H)(C[6]N[6,6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[3,6]C[3x6]H)(N[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3,6]C[3,6]O[3]H)(C[6]N[6,6]HH)(H){1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]N[6,6]H)	109.5145	0.005	2	109.5145	0.000	2	109.5145	0.000	2	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]N[6,6]H)	109.0995	0.133	4	109.3258	0.065	34	109.3258	0.065	34	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]N[6,6]H)	109.5765	0.016	2	109.3258	0.065	34	109.3258	0.065	34	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]N[6,6]H)	109.4770	0.016	2	109.3258	0.065	34	109.3258	0.065	34	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|Cl<1>,1|C<3>,1|N<4>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]N[6,6]H)	109.8545	0.005	2	109.3258	0.065	34	109.3258	0.065	34	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]N[6,6]H)	109.4384	0.137	10	109.3258	0.065	34	109.3258	0.065	34	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|N<3>,4|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]N[6,6]H)	109.1831	0.256	9	109.3258	0.065	34	109.3258	0.065	34	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|N<3>,4|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){3|H<1>,5|C<4>}	H(C[6]C[6,6]N[6,6]H)	109.0880	0.000	1	109.3258	0.065	34	109.3258	0.065	34	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|N<4>,1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]N[6,6]H)	109.2335	0.062	2	109.3258	0.065	34	109.3258	0.065	34	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|N<4>,1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]N[6,6]H)	109.1385	0.012	2	109.3258	0.065	34	109.3258	0.065	34	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(N[6,6]C[6,6]C[6])(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]N[6,6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(N[6,6]C[6,6]C[6])(H)2{5|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]N[6,6]HH)(H){1|O<2>,5|H<1>,6|C<4>}	H(C[6]C[6,6]N[6,6]H)	109.1733	0.200	6	109.1733	0.040	6	109.1733	0.040	6	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<4>,1|N<3>,1|S<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(C[6]N[6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]N[6,6]H)	111.4745	0.197	2	109.5507	1.747	7	109.2376	0.747	17	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<4>,1|N<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]N[6,6]H)	108.6777	0.037	3	109.5507	1.747	7	109.2376	0.747	17	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(C[6]N[6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]N[6,6]H)	108.9365	0.015	2	109.5507	1.747	7	109.2376	0.747	17	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]N[6,6]H)	108.9270	0.207	4	108.9555	0.019	8	109.2376	0.747	17	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	H(C[6]C[6,6]N[6,6]H)	108.9895	0.018	2	108.9555	0.019	8	109.2376	0.747	17	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]N[6,6]H)	108.9785	0.019	2	108.9555	0.019	8	109.2376	0.747	17	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]O[6]CH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]O[6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]N[6,6]H)	109.2700	0.031	2	109.2700	0.001	2	109.2376	0.747	17	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]N[6,6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]N[6,6]HH)(H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]N[6,6]H)	109.5135	0.012	2	109.5135	0.000	2	109.5135	0.000	2	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]H)(N[6]C[6,6]C)(H)2	C[6,6](C[3,6]C[3,6]C[3]C)(C[6,6]C[3x6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[3,6]C[6,6]H)(N[6]C[6,6]C)(H)2{3|H<1>,5|C<4>}	C[6,6](C[3,6]C[3,6]C[3]C)(C[6,6]C[3x6]HH)(C[6]N[6]HH)(H){2|Br<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]H)	109.7205	0.687	2	109.7205	0.471	2	109.7205	0.471	2	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(N[6]C[6,6]C)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]N[6]H)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(N[6]C[6,6]C)(H)2{1|C<4>,2|C<3>,2|N<3>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]N[6]H)(C[6]N[6]HH)(H){1|N<2>,1|N<3>,2|C<3>,5|C<4>}	H(C[6]C[6,6]N[6]H)	109.2175	0.018	2	109.2175	0.000	2	109.2175	0.000	2	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(N[6]C[6,6]S)(H)2	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6,6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[3x6]C[6]H)(N[6]C[6,6]S)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6,6]HH)(C[6]N[6]HH)(H){1|C<3>,1|S<4>,2|H<1>,4|C<4>}	H(C[6]C[6,6]N[6]H)	109.4335	0.005	2	109.4335	0.000	2	109.4335	0.000	2	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6]H)(N[6]C[5,5,6]C)(H)2	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,3x6]C[6]H)(N[6]C[5,5,6]C)(H)2{4|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	108.9148	0.075	11	108.9148	0.006	11	108.9148	0.006	11	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[5,6,6]C)(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[5,6,6]C)(H)2{4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]N[6]H)	108.7395	0.023	2	108.7395	0.001	2	109.3647	0.130	10	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6,6a]H)(H)2	C[6,6](C[5,6,6]C[5,6a]C[6,6a]C[5,6])(C[6]N[6]HH)2(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6,6a]H)(H)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6](C[5,6,6]C[5,6a]C[6,6a]C[5,6])(C[6]N[6]HH)2(H){1|C<4>,1|H<1>,1|S<4>,5|C<3>}	H(C[6]C[6,6]N[6]H)	109.4010	0.030	2	109.4010	0.001	2	109.3647	0.130	10	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]C)(H)2	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]N[6]HH)2(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]C)(H)2{1|N<4>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]N[6]HH)2(H){6|C<4>,6|H<1>}	H(C[6]C[6,6]N[6]H)	109.5010	0.191	4	109.5010	0.036	4	109.3647	0.130	10	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]S)(H)2	C[6,6](C[5,6,6]C[5,6a]C[6,6a]C[5,6])(C[6]N[6]HH)2(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]S)(H)2{1|N<3>,3|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,6a]C[6,6a]C[5,6])(C[6]N[6]HH)2(H){1|C<4>,1|H<1>,1|S<4>,5|C<3>}	H(C[6]C[6,6]N[6]H)	109.6810	0.040	2	109.6810	0.002	2	109.3647	0.130	10	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(N[6]C[6,6a]S)(H)2	C[6,6](C[5,6]O[5,6]C[6a]C[5])(C[6,6]C[6,6a]C[6]H)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(N[6]C[6,6a]S)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[5,6]O[5,6]C[6a]C[5])(C[6,6]C[6,6a]C[6]H)(C[6]N[6]HH)(H){1|C<4>,1|O<2>,1|S<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]N[6]H)	109.2685	0.005	2	109.2685	0.000	2	109.2685	0.000	2	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(N[6]C[6]C)(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]2H)(N[6]C[6]C)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]N[6]H)	109.2780	0.000	1	109.2780	0.000	1	109.3797	0.009	3	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(N[6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]N[6]C)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]2H)(N[6]C[6]H)(H)2{2|N<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]N[6]C)(C[6]N[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]N[6]H)	109.4305	0.049	2	109.4305	0.002	2	109.3797	0.009	3	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[3,4,6]C)(H)2	C[6,6](C[6,6]C[4,6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[3,4,6]C)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]N[6]H)	108.7705	0.392	2	108.7705	0.154	2	109.4101	0.543	89	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[4,6]C)(H)2	C[6,6](C[6,6]C[4,6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[4,6]C)(H)2{3|C<4>,5|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]N[6]H)	111.1070	0.000	1	111.1070	0.000	1	109.4101	0.543	89	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[4,6]S)(H)2	C[6,6](C[6,6]C[4,6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[4,6]S)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[6,6]N[6]H)	109.0550	0.147	4	109.0550	0.022	4	109.4101	0.543	89	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]C)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]C)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]N[6]HH)(H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6]N[6]H)	111.6980	0.610	2	111.6980	0.372	2	109.4101	0.543	89	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]S)(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]S)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]N[6]H)	109.1965	0.239	4	109.1965	0.057	4	109.4101	0.543	89	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]CH)(C[6]N[6]HH)(C[6]S[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|S<2>,5|H<1>}	C[6,6](C[6,6]C[6,6]CH)(C[6]N[6]HH)(C[6]S[6]HH)(H){1|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	108.9303	0.140	4	108.9303	0.019	4	109.4101	0.543	89	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]CO)(C[6]N[6]HH)(C[6]S[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|O<2>,1|S<4>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]CO)(C[6]N[6]HH)(C[6]S[6]HH)(H){1|H<1>,2|O<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.4522	0.150	4	109.4522	0.022	4	109.4101	0.543	89	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	109.5370	0.000	1	109.5370	0.000	1	109.4101	0.543	89	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(C[6]N[6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]N[6]H)	109.3332	1.524	4	109.3332	2.323	4	109.4101	0.543	89	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6a]CH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6a]CH)(C[6]N[6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]N[6]H)	109.1780	0.000	1	109.1780	0.000	1	109.4101	0.543	89	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]N[6]HH)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.0770	0.000	1	109.0770	0.000	1	109.4101	0.543	89	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)(C[6]S[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|S<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)(C[6]S[6]HH)(H){1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	110.0225	1.961	4	110.0225	3.847	4	109.4101	0.543	89	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.1381	0.369	9	109.2338	0.093	26	109.4101	0.543	89	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H){1|H<1>,4|C<4>}	H(C[6]C[6,6]N[6]H)	109.0453	0.172	7	109.2338	0.093	26	109.4101	0.543	89	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H){2|H<1>,4|C<4>}	H(C[6]C[6,6]N[6]H)	109.5007	0.102	4	109.2338	0.093	26	109.4101	0.543	89	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.3965	0.045	2	109.2338	0.093	26	109.4101	0.543	89	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|N<4>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H){1|H<1>,5|C<4>}	H(C[6]C[6,6]N[6]H)	109.4307	0.263	4	109.2338	0.093	26	109.4101	0.543	89	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]HN)(C[6]N[6]HH)(C[6]S[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|S<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HN)(C[6]N[6]HH)(C[6]S[6]HH)(H){1|H<1>,2|O<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.6963	0.114	4	109.6963	0.013	4	109.4101	0.543	89	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]HO)(C[6]N[6]HH)(C[6]S[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,1|S<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]N[6]HH)(C[6]S[6]HH)(H){1|H<1>,2|O<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.8030	0.095	4	109.8030	0.009	4	109.4101	0.543	89	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]OO)(C[6]N[6]HH)2(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]N[6]HH)2(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]N[6]H)	109.6924	0.697	7	109.6924	0.486	7	109.4101	0.543	89	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]HH)(H){3|C<4>,6|H<1>}	H(C[6]C[6,6]N[6]H)	108.9657	0.064	3	108.9657	0.004	3	109.4101	0.543	89	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6]N[6]H)	109.2362	0.088	4	109.2362	0.008	4	109.4101	0.543	89	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2{1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[6,6]N[6]H)	108.8780	0.129	5	108.8780	0.017	5	109.4101	0.543	89	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]O[6]CC)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]O[6]CC)(H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]N[6]H)	110.0635	0.029	2	110.0635	0.001	2	109.4101	0.543	89	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]O[6]CH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]O[6]CH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	109.7125	0.029	2	109.7125	0.001	2	109.4101	0.543	89	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:Si[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]Si[6]H)(N[6]C[6]S)(H)2	C[6,6](C[6,6]C[6,6]HH)(Si[6]O[6]CC)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]Si[6]H)(N[6]C[6]S)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(Si[6]O[6]CC)(C[6]N[6]HH)(H){1|Si<4>,1|C<3>,1|C<4>,1|S<4>}	H(C[6]C[6,6]N[6]H)	109.9450	0.030	2	109.8505	0.027	6	109.8505	0.027	6	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:Si[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]Si[6]H)(N[6]C[6]S)(H)2	C[6,6](C[6,6]C[6,6]HH)(Si[6]O[6]CC)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]Si[6]H)(N[6]C[6]S)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(Si[6]O[6]CC)(C[6]N[6]HH)(H){1|Si<4>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6,6]N[6]H)	109.8032	0.190	4	109.8505	0.027	6	109.8505	0.027	6	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:S[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)(C[6]S[6]HH)(H)	H(C[6]C[6,6]S[6]H)	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6]O)(H)2{1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)(C[6]S[6]HH)(H){1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[6,6]S[6]H)	111.9802	1.083	4	111.9802	1.173	4	111.9802	1.173	4	109.0617	0.733	1407	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[3,6]O)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OC)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[3,6,6]C[3,6]O)(C[6,6]C[6,6]C[6])(H)2{2|O<2>,3|H<1>,5|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OC){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]2H)	108.8335	0.012	2	108.8335	0.000	2	108.7073	0.023	4	108.9312	0.980	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[3,6]O)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OH)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[3,6,6]C[3,6]O)(C[6,6]C[6,6]C[6])(H)2{2|O<2>,3|H<1>,5|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OH){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]2H)	108.5810	0.069	2	108.5810	0.005	2	108.7073	0.023	4	108.9312	0.980	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]H)(H)2	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)2(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)2(OH){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.5225	2.476	2	109.5225	6.129	2	109.5225	6.129	2	108.9312	0.980	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]O[6]O)(H)2	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]O[6]O)(H)2{1|O<2>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	107.9255	0.025	2	107.9255	0.001	2	107.9255	0.001	2	108.9312	0.980	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]H)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.3275	0.674	2	108.3275	0.454	2	108.3808	0.155	4	108.9312	0.980	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]O[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]O[6]O)(H)2{1|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4340	0.030	2	108.4340	0.001	2	108.3808	0.155	4	108.9312	0.980	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CN)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CN){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1200	0.037	2	109.1200	0.001	2	109.0350	0.007	6	108.9312	0.980	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CN)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CN){2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9925	0.066	4	108.9925	0.004	4	109.0350	0.007	6	108.9312	0.980	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2108	0.191	6	109.2108	0.036	6	108.8026	1.218	58	108.9312	0.980	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]O)(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]O)(H)2{3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2(OH){1|C<4>,2|O<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.6120	0.030	2	108.6120	0.001	2	108.8026	1.218	58	108.9312	0.980	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]O)(H)2	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)2(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]O)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)2(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9925	0.019	2	108.9925	0.000	2	108.8026	1.218	58	108.9312	0.980	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H)2{3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2(OH){1|C<4>,2|O<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.8130	0.013	2	108.8130	0.000	2	108.8026	1.218	58	108.9312	0.980	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8275	0.013	2	108.8275	0.000	2	108.8026	1.218	58	108.9312	0.980	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2(OC)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2(OC){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0640	5.514	2	109.0640	30.404	2	108.8026	1.218	58	108.9312	0.980	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]O[6]HO)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>,3|O<2>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]O[6]HO)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4230	0.403	2	109.4230	0.162	2	108.8026	1.218	58	108.9312	0.980	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2{1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OH){2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8273	0.026	4	108.8273	0.001	4	108.8026	1.218	58	108.9312	0.980	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9560	0.006	2	108.9560	0.000	2	108.8026	1.218	58	108.9312	0.980	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HH)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HH)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.5145	1.084	24	108.5145	1.175	24	108.8026	1.218	58	108.9312	0.980	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(OH){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1405	0.006	2	109.1405	0.000	2	108.8026	1.218	58	108.9312	0.980	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OH){1|C<3>,1|N<4>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	107.6785	1.083	2	108.3752	1.038	4	108.8026	1.218	58	108.9312	0.980	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OH){1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0720	0.008	2	108.3752	1.038	4	108.8026	1.218	58	108.9312	0.980	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6,6]C[6]H)	109.1545	0.011	2	109.1545	0.000	2	108.8026	1.218	58	108.9312	0.980	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]C)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	110.0815	0.006	2	110.0815	0.000	2	108.8026	1.218	58	108.9312	0.980	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]O)(H)2	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(C[6]C[6]HO)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(C[6]C[6]HO)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.4633	0.200	3	108.4633	0.040	3	108.4633	0.040	3	108.9312	0.980	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:2:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]O)(N[6,6]C[6,6]C[6])(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[3x6]C[6]O)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<4>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[6,6]N[6,6]H)	108.7470	0.014	2	108.7470	0.000	2	108.7470	0.000	2	108.9312	0.980	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:2:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]O)(N[6]C[5,6,6]C)(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(OC)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]O)(N[6]C[5,6,6]C)(H)2{4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(OC){4|H<1>,5|C<4>}	H(C[6]C[6,6]N[6]H)	108.9220	0.056	4	108.9220	0.003	4	109.4603	0.333	8	108.9312	0.980	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:2:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]O)(N[6]C[6]S)(H)2	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]BrH)(C[6]N[6]HH)(OH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]O)(N[6]C[6]S)(H)2{1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]BrH)(C[6]N[6]HH)(OH){1|S<4>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]N[6]H)	110.0170	0.052	2	110.0170	0.003	2	109.4603	0.333	8	108.9312	0.980	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:2:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]O)(N[6]C[6]S)(H)2	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]ClH)(C[6]N[6]HH)(OH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]O)(N[6]C[6]S)(H)2{1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]ClH)(C[6]N[6]HH)(OH){1|S<4>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]N[6]H)	109.9800	0.013	2	109.9800	0.000	2	109.4603	0.333	8	108.9312	0.980	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:2:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)(H)2	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(CN)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)(H)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(CN){1|S<4>,6|C<3>}	H(C[6]C[6,6]N[6]H)	108.7045	0.112	2	108.7045	0.013	2	108.7163	0.007	3	108.9312	0.980	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:2:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)(H)2	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(CN)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)(H)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(CN){1|S<4>,6|C<3>}	H(C[6]C[6,6]N[6]H)	108.7400	0.000	1	108.7400	0.000	1	108.7163	0.007	3	108.9312	0.980	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:2:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(N[6]O[6]C)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]N[6]HH)(OH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]O)(N[6]O[6]C)(H)2{2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]N[6]HH)(OH){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6,6]N[6]H)	110.2205	0.754	2	110.2205	0.569	2	110.2205	0.569	2	108.9312	0.980	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:2:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(N[6]C[6]H)(H)2	C[6,6](C[6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(O[6]C[6])	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6]2O[6])(N[6]C[6]H)(H)2{1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(O[6]C[6]){1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	108.7810	0.000	1	108.7810	0.000	1	109.8401	0.245	7	108.9312	0.980	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:2:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(N[6]C[6]S)(H)2	C[6,6](C[6]C[6]HH)2(C[6]N[6]HH)(O[6]C[6])	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6]2O[6])(N[6]C[6]S)(H)2{3|C<4>,6|H<1>}	C[6,6](C[6]C[6]HH)2(C[6]N[6]HH)(O[6]C[6]){1|C<3>,1|C<4>,1|O<2>,1|S<4>,5|H<1>}	H(C[6]C[6,6]N[6]H)	110.1465	0.006	2	110.1330	0.000	4	109.8401	0.245	7	108.9312	0.980	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:2:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(N[6]C[6]S)(H)2	C[6,6](C[6]C[6]HH)2(C[6]N[6]HH)(O[6]C[6])	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6]2O[6])(N[6]C[6]S)(H)2{3|C<4>,6|H<1>}	C[6,6](C[6]C[6]HH)2(C[6]N[6]HH)(O[6]C[6]){1|S<4>,3|C<4>,5|H<1>}	H(C[6]C[6,6]N[6]H)	110.1195	0.026	2	110.1330	0.000	4	109.8401	0.245	7	108.9312	0.980	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:2:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(N[6]O[6]C)(H)2	C[6,6](C[6]C[6]HH)2(C[6]N[6]HH)(O[6]B[6])	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6]2O[6])(N[6]O[6]C)(H)2{1|B<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6]HH)2(C[6]N[6]HH)(O[6]B[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	109.7840	0.013	2	109.7840	0.000	2	109.8401	0.245	7	108.9312	0.980	101	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6,6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6](C[6]C[6,6a]CH)(C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6a]C[6a]2)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(H)2{3|C<4>,3|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]CH)(C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6a]C[6a]2){6|C<3>,6|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.5700	0.007	2	108.5700	0.000	2	108.5700	0.000	2	108.9104	1.088	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]O)(H)2	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCO){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.3928	0.168	4	108.3928	0.028	4	108.3928	0.028	4	108.9104	1.088	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(CHO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(CHO){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.5365	0.234	4	108.5365	0.055	4	108.5847	0.034	10	108.9104	1.088	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(COO){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8045	0.026	2	108.8045	0.001	2	108.5847	0.034	10	108.9104	1.088	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)2(CNO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)2(CNO){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	108.4480	0.006	2	108.5230	0.008	4	108.5847	0.034	10	108.9104	1.088	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)2(CNO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)2(CNO){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	108.5980	0.018	2	108.5230	0.008	4	108.5847	0.034	10	108.9104	1.088	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H)2	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)2(C[6]C[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H)2{1|O<1>,2|H<1>,6|C<4>}	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)2(C[6]C[6]O){1|Br<1>,1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0187	0.039	3	109.0187	0.001	3	109.0187	0.001	3	108.9104	1.088	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]N)(H)2	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(N[6]C[6]C)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]N)(H)2{1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(N[6]C[6]C){1|N<2>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8810	0.007	2	108.8810	0.000	2	109.0345	2.075	4	108.9104	1.088	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]O)(H)2	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(N[6]C[6]C)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]O)(H)2{1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(N[6]C[6]C){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1880	2.476	2	109.1880	6.132	2	109.0345	2.075	4	108.9104	1.088	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[6]C)(H)2	C[6,6](C[5,6,6]C[5,6,6]N[5,6]O)(C[6]C[6a]N[6]H)(C[6]N[6]HH)(COO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|N<3>,3|H<1>}	C[6,6](C[5,6,6]C[5,6,6]N[5,6]O)(C[6]C[6a]N[6]H)(C[6]N[6]HH)(COO){1|N<2>,4|C<3>,4|C<4>}	H(C[6]C[6,6]N[6]H)	107.6195	0.769	2	107.6195	0.591	2	107.6195	0.591	2	108.9104	1.088	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)(H)2	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(COO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)(H)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(COO){1|S<4>,6|C<3>}	H(C[6]C[6,6]N[6]H)	108.7975	0.008	2	108.7975	0.000	2	109.0701	1.502	24	108.9104	1.088	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)(H)2	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[4x6]HH)(C[6]N[6]HH)(COO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[4x6]HH)(C[6]N[6]HH)(COO){1|H<1>,1|S<4>,3|C<3>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.4865	0.011	2	109.4865	0.000	2	109.0701	1.502	24	108.9104	1.088	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]CO)(C[6]C[5a,6]CH)(C[6]N[6]HH)(COO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]CO)(C[6]C[5a,6]CH)(C[6]N[6]HH)(COO){2|C<3>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.7395	0.012	2	109.7395	0.000	2	109.0701	1.502	24	108.9104	1.088	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]O)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]O){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]N[6]H)	107.4425	1.040	4	107.4425	1.081	4	109.0701	1.502	24	108.9104	1.088	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CH)(C[6]N[6]HH)(COO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CH)(C[6]N[6]HH)(COO){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.4605	0.037	2	109.4605	0.001	2	109.0701	1.502	24	108.9104	1.088	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6a]N[6]H)(C[6]N[6]HH)(COO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6a]N[6]H)(C[6]N[6]HH)(COO){1|N<2>,2|C<3>,4|C<4>}	H(C[6]C[6,6]N[6]H)	109.4120	1.265	12	109.4120	1.601	12	109.0701	1.502	24	108.9104	1.088	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(N[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]N[6]HH)(C[6]C[6]O)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]2)(N[6]C[6]C)(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]N[6]HH)(C[6]C[6]O){5|C<4>,7|H<1>}	H(C[6]C[6,6]N[6]H)	109.0720	0.000	1	109.0720	0.000	1	109.0720	0.000	1	108.9104	1.088	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(N[6]C[6a]C[6])(H)2	C[6,6](C[6]C[6]HH)2(C[6]N[6]HH)(N[6]C[6]S)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6]2N[6])(N[6]C[6a]C[6])(H)2{1|S<4>,2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6]C[6]HH)2(C[6]N[6]HH)(N[6]C[6]S){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]N[6]H)	110.7975	0.439	2	110.7975	0.193	2	110.7975	0.193	2	108.9104	1.088	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(H)2{2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.4043	0.129	4	109.4043	0.017	4	109.4342	0.012	6	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(H)2{1|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]CH)(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.4940	0.007	2	109.4940	0.000	2	109.4342	0.012	6	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(CH3){2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]2H)	109.3920	0.031	2	109.3920	0.001	2	109.1797	0.060	4	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]CH)(CH3){3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]2H)	108.9675	0.011	2	108.9675	0.000	2	109.1797	0.060	4	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2{2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6]HH)(C[6]C[6]HO)(CH3){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]2H)	109.1515	0.023	2	109.1515	0.001	2	109.1515	0.001	2	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]O)(H)2	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	107.9020	0.011	2	107.9020	0.000	2	107.9020	0.000	2	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[3,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[3,6]C)(C[6]C[5,6]C)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[3,6]C)(C[6]C[5,6]C)(H)2{1|N<2>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(CCHH){1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.3785	0.008	2	109.3655	0.005	6	109.3655	0.005	6	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[3,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[3,6]C)(C[6]C[5,6]C)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[3,6]C)(C[6]C[5,6]C)(H)2{1|O<2>,2|C<4>,2|H<1>,2|N<3>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(CCHH){1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.3590	0.087	4	109.3655	0.005	6	109.3655	0.005	6	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]C)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[5,6]HO)(C[6]C[6]HH)(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]C)(H)2{1|N<2>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[5,6]HO)(C[6]C[6]HH)(CCHH){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.3340	0.017	2	109.3698	0.042	9	109.3520	0.035	11	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]C)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[5,6]HO)(C[6]C[6]HH)(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]C)(H)2{1|O<2>,2|C<4>,2|H<1>,2|N<3>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[5,6]HO)(C[6]C[6]HH)(CCHH){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.3800	0.236	7	109.3698	0.042	9	109.3520	0.035	11	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]C)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]C)(H)2{1|O<2>,2|C<4>,2|H<1>,2|N<3>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCHH){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2720	0.013	2	109.2720	0.000	2	109.3520	0.035	11	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[3x6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[5,6]C)(C[6]O[6]O)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[5,6]C)(C[6]O[6]O)(H)2{2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|H<1>,3|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.8870	0.000	1	109.8870	0.000	1	109.8870	0.000	1	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]H)(H)2{1|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3047	0.112	3	109.3047	0.012	3	109.2644	0.009	5	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]N)(H)2	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]N)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2040	0.018	2	109.2040	0.000	2	109.2644	0.009	5	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]H)(H)2	C[6,6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)2(C[6]C[6]HO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]H)(H)2{3|C<4>,3|O<2>,4|H<1>}	C[6,6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)2(C[6]C[6]HO){1|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	110.6990	1.220	2	110.6990	1.490	2	109.9813	1.183	4	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]O)(H)2	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)3	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]O)(H)2{2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)3{1|N<3>,1|S<2>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2635	0.016	2	109.2635	0.000	2	109.9813	1.183	4	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[4,6]H)(H)2	C[6,6](C[6,6]C[4,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[4,6]H)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[4,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.7650	0.000	1	109.7650	0.000	1	108.8838	0.091	44	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0810	0.000	1	108.8114	0.037	9	108.8838	0.091	44	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)2{1|Cl<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.7240	0.244	4	108.8114	0.037	9	108.8838	0.091	44	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.7835	0.028	2	108.8114	0.037	9	108.8838	0.091	44	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8795	0.021	2	108.8114	0.037	9	108.8838	0.091	44	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9325	0.008	2	108.7313	0.074	11	108.8838	0.091	44	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8385	0.035	2	108.7313	0.074	11	108.8838	0.091	44	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.2355	0.006	2	108.7313	0.074	11	108.8838	0.091	44	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)2{2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.7455	0.035	2	108.7313	0.074	11	108.8838	0.091	44	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.8467	0.220	3	108.7313	0.074	11	108.8838	0.091	44	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|O<1>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3270	0.000	1	109.3270	0.000	1	108.8838	0.091	44	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[5,3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.5255	0.033	2	109.5255	0.001	2	108.8838	0.091	44	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<1>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.6175	0.006	2	108.6175	0.000	2	108.8838	0.091	44	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8033	0.158	7	108.9376	0.032	15	108.8838	0.091	44	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9605	0.013	2	108.9376	0.032	15	108.8838	0.091	44	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9815	0.029	2	108.9376	0.032	15	108.8838	0.091	44	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.1393	0.018	4	108.9376	0.032	15	108.8838	0.091	44	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]Si)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]Si)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|Si<4>,1|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.6997	0.143	3	108.6997	0.021	3	108.8838	0.091	44	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]H)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]H)(H)2{2|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.6420	0.023	2	108.6420	0.001	2	109.2440	3.428	48	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.7970	0.052	2	108.8907	0.013	4	109.2440	3.428	48	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9845	0.011	2	108.8907	0.013	4	109.2440	3.428	48	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	107.8160	0.011	2	107.8160	0.000	2	109.2440	3.428	48	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3680	0.006	2	109.3680	0.000	2	109.2440	3.428	48	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4927	0.196	6	109.4927	0.038	6	109.2440	3.428	48	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.7580	0.000	1	108.7580	0.000	1	109.2440	3.428	48	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CBHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CBHH){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2395	0.025	2	109.2395	0.001	2	109.2440	3.428	48	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.6130	0.007	2	108.6130	0.000	2	109.2440	3.428	48	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2(CH3){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3970	1.342	4	109.3970	1.800	4	109.2440	3.428	48	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[5]C)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2{2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[5]C)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.2833	0.024	3	108.2833	0.001	3	109.2440	3.428	48	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2{2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)2(CH3){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7575	0.384	2	108.7575	0.147	2	109.2440	3.428	48	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9190	0.030	2	108.9190	0.001	2	109.2440	3.428	48	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<4>}	H(C[6]C[6,6]C[6]H)	108.0870	0.025	2	108.0870	0.001	2	109.2440	3.428	48	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.4410	0.000	1	109.4410	0.000	1	109.2440	3.428	48	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CCCH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CCCH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7853	0.377	3	108.7853	0.142	3	109.2440	3.428	48	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	107.4425	1.371	2	111.8233	19.555	6	109.2440	3.428	48	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	114.0138	3.574	4	111.8233	19.555	6	109.2440	3.428	48	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,1|C<4>,1|N<3>,3|O<1>}	H(C[6]C[6,6]C[6]H)	109.3105	0.054	2	109.3105	0.003	2	109.2440	3.428	48	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]O)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]O)(H)2{1|N<3>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,1|C<4>,1|N<3>,3|O<1>}	H(C[6]C[6,6]C[6]H)	107.8785	0.018	2	107.8785	0.000	2	109.2440	3.428	48	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:P-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]P)(C[6]C[6,6]C)(H)2	C[6,6](C[6,6]C[3x6]HH)(C[6]B[6]HH)(C[6]C[6]HH)(PC[6a]3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]P)(C[6]C[6,6]C)(H)2{1|B<4>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(C[6]B[6]HH)(C[6]C[6]HH)(PC[6a]3){3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.7655	0.023	2	109.7655	0.001	2	109.7655	0.001	2	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	H(C[6]C[6,6]C[6]H)	109.2968	0.356	4	109.2968	0.127	4	109.2968	0.127	4	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]C)(H)2	C[6,6](C[6]B[6]HH)(C[6]C[6]HH)3	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]C)(H)2{1|B<4>,2|C<3>,8|H<1>}	C[6,6](C[6]B[6]HH)(C[6]C[6]HH)3{1|C<4>,1|P<4>,5|C<3>}	H(C[6]C[6,6]C[6]H)	108.9543	0.142	4	108.9543	0.020	4	108.8432	0.101	17	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]O)(H)2	C[6,6](C[6]C[6]HH)3(C[6]C[6]HN)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]O)(H)2{1|N<3>,3|C<4>,7|H<1>}	C[6,6](C[6]C[6]HH)3(C[6]C[6]HN){1|C<3>,1|O<1>,1|S<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5355	0.050	2	109.5355	0.003	2	108.8432	0.101	17	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]O)(H)2	C[6,6](C[6]C[6]HH)4	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6]C[6]HH)4{1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8180	0.085	4	108.8180	0.007	4	108.8432	0.101	17	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]P)(H)2	C[6,6](C[6]B[6]HH)(C[6]C[6]HH)3	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]P)(H)2{1|B<4>,2|C<3>,7|H<1>}	C[6,6](C[6]B[6]HH)(C[6]C[6]HH)3{1|C<4>,1|P<4>,5|C<3>}	H(C[6]C[6,6]C[6]H)	108.7400	0.000	1	108.7400	0.000	1	108.8432	0.101	17	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]N[6]O)(H)2	C[6,6](C[6]C[6]HH)4	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]N[6]O)(H)2{1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6]C[6]HH)4{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.5775	0.087	2	108.5723	0.014	6	108.8432	0.101	17	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]N[6]O)(H)2	C[6,6](C[6]C[6]HH)4	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]N[6]O)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6]C[6]HH)4{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.5697	0.143	4	108.5723	0.014	6	108.8432	0.101	17	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[5,6]Cl)(H)2	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[5,6]Cl)(H)2{4|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|Cl<1>,4|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	109.6695	0.016	2	109.6695	0.000	2	109.2998	0.082	6	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]H)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]N[6]HH)(C[6]O[6]CH)(CCHH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]H)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]N[6]HH)(C[6]O[6]CH)(CCHH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]N[6]H)	109.1105	0.022	2	109.1105	0.000	2	109.2998	0.082	6	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6]C)(H)2	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6]C)(H)2{3|C<4>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	109.1195	0.022	2	109.1195	0.000	2	109.2998	0.082	6	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6]C)(N[6]C[5,5,6]C)(H)2	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,3x6]C[6]C)(N[6]C[5,5,6]C)(H)2{4|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	108.7407	0.092	7	108.7407	0.008	7	108.7407	0.008	7	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2{4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]N[6]H)	108.3812	0.075	4	108.3812	0.006	4	108.7841	0.113	32	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(CHHO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2{4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(CHHO){4|H<1>,5|C<4>}	H(C[6]C[6,6]N[6]H)	108.9299	0.182	7	108.9299	0.033	7	108.7841	0.113	32	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO){1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]N[6]H)	109.0271	0.453	9	109.0271	0.205	9	108.7841	0.113	32	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]N[6]H)	108.5530	0.007	2	108.5530	0.000	2	108.7841	0.113	32	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(C[6]N[6]HH)(CHHO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(C[6]N[6]HH)(CHHO){4|H<1>,5|C<4>}	H(C[6]C[6,6]N[6]H)	108.6527	0.081	8	108.6527	0.007	8	108.7841	0.113	32	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO){4|H<1>,5|C<4>}	H(C[6]C[6,6]N[6]H)	108.7430	0.126	2	108.7430	0.016	2	108.7841	0.113	32	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|C<3>,5|C<4>}	H(C[6]C[6,6]N[6]H)	109.4057	0.092	4	109.4057	0.008	4	109.4104	0.331	18	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]HO)(C[6]N[6]HH)2(CH3)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]N[6]HH)2(CH3){1|H<1>,4|C<4>}	H(C[6]C[6,6]N[6]H)	109.6337	0.286	4	109.6337	0.082	4	109.4104	0.331	18	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(H)2{1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]N[6]H)	108.7875	0.013	2	108.7875	0.000	2	109.4104	0.331	18	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]HO)(C[6]N[6]HH)2(CH3)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]N[6]HH)2(CH3){1|H<1>,4|C<4>}	H(C[6]C[6,6]N[6]H)	109.3902	1.194	4	109.3902	1.427	4	109.4104	0.331	18	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]S)(H)2	C[6,6](C[6,6]C[6,6]BrH)(C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]S)(H)2{1|Br<1>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]BrH)(C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>,1|S<4>,2|H<1>}	H(C[6]C[6,6]N[6]H)	109.4195	0.021	2	109.4195	0.000	2	109.4104	0.331	18	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]S)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<4>}	H(C[6]C[6,6]N[6]H)	109.6270	0.011	2	109.6270	0.000	2	109.4104	0.331	18	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(N[6]C[6]S)(H)2	C[6,6](C[6]C[6]HH)3(C[6]N[6]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6]3)(N[6]C[6]S)(H)2{4|C<4>,7|H<1>}	C[6,6](C[6]C[6]HH)3(C[6]N[6]HH){1|N<3>,1|S<4>,2|C<4>,5|H<1>}	H(C[6]C[6,6]N[6]H)	110.0845	0.004	2	109.9248	0.034	4	109.9248	0.034	4	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(N[6]C[6]S)(H)2	C[6,6](C[6]C[6]HH)3(C[6]N[6]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6]3)(N[6]C[6]S)(H)2{4|C<4>,7|H<1>}	C[6,6](C[6]C[6]HH)3(C[6]N[6]HH){1|S<4>,3|C<4>,5|H<1>}	H(C[6]C[6,6]N[6]H)	109.7650	0.037	2	109.9248	0.034	4	109.9248	0.034	4	109.1096	0.916	223	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-3:C-2:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]N[6,6]O)(CN)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]N[6,6]O)(CN)(H){2|C<3>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]C)	107.1690	0.000	1	107.1690	0.000	1	107.1690	0.000	1	107.1690	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	3:4:2:1:	4:	C[6,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:O[6,6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(O[6,6]C[6,6])(H)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(O[6,6]C[6,6])(H){1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]O)	108.1610	0.000	1	108.1610	0.000	1	108.1610	0.000	1	108.1610	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	3:4:2:4:	4:	C[6,6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6,6]C[6,6]C[6])(OC)(H)	C[6,6](C[6,6]C[5,6,6]C)(C[6]C[6,6]HO)(O[6]C[6])(CH3)	H(C[6]C[6,6]2O)	C[6](C[6,6]C[6,6]O[6]C)(C[6,6]C[6,6]C[6])(OC)(H){2|C<3>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C)(C[6]C[6,6]HO)(O[6]C[6])(CH3){1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]2O)	109.1200	0.000	1	109.1200	0.000	1	109.1200	0.000	1	109.1200	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(OC)(H)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(OC)(H){3|C<4>,3|H<1>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]O)	108.7300	0.000	1	108.7300	0.000	1	108.7300	0.000	1	108.2398	0.203	4	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	3:4:4:1:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])(H){3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]O[6])	107.7730	0.000	1	107.7730	0.000	1	107.7730	0.000	1	108.2398	0.203	4	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	3:4:4:1:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H){1|O<2>,2|H<1>,7|C<3>}	H(C[6]C[6,6]C[6a]O[6])	108.2280	0.386	2	108.2280	0.149	2	108.2280	0.149	2	108.2398	0.203	4	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	3:4:4:3:	4:	C[6,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(OC)(H)	C[6,6](C[6,6]C[5,6]N[6])(C[6]C[6,6a]HO)(C[6]C[5,6]HH)(C[6a]C[6a]2)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(OC)(H){1|N<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[5,6]N[6])(C[6]C[6,6a]HO)(C[6]C[5,6]HH)(C[6a]C[6a]2){2|C<4>,2|H<1>,3|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6,6]O)	110.4370	0.000	1	110.4370	0.000	1	110.4370	0.000	1	110.4370	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	3:4:4:4:	4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[3x6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6,6](C[3x6]C[3,6,6]C[6,6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[5a]O[6])	C[6](C[6,6]C[3x6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[3,6,6]C[6,6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[5a]O[6])	108.2420	0.000	1	108.2420	0.000	1	108.2420	0.000	1	108.6411	1.207	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	3:4:4:4:	4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6,6](C[6,6]C[5,5,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[5a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,5,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[5a]O[6])	108.5680	0.000	1	108.5680	0.000	1	108.6272	1.367	13	108.6411	1.207	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	3:4:4:4:	4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[5a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[5a]O[6])	108.3510	0.341	4	108.7330	1.754	10	108.6272	1.367	13	108.6411	1.207	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	3:4:4:4:	4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[5a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[5a]O[6])	112.4510	0.000	1	108.7330	1.754	10	108.6272	1.367	13	108.6411	1.207	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	3:4:4:4:	4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[5a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[5a]O[6])	108.2950	0.136	5	108.7330	1.754	10	108.6272	1.367	13	108.6411	1.207	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	3:4:4:4:	4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[5a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){3|H<1>,5|C<3>}	H(C[6]C[6,6]C[5a]O[6])	108.1275	0.018	2	108.1275	0.000	2	108.6272	1.367	13	108.6411	1.207	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HO)(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]O)	109.2220	0.000	1	109.2220	0.000	1	109.2220	0.000	1	108.6411	1.207	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]C)(OH)(H)	C[6,6](C[6,6]C[6]2O)(O[6]C[6,6a])(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]C)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6]2O)(O[6]C[6,6a])(C[6]C[6]HO)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6]C[6]O)	109.1060	0.000	1	109.1060	0.000	1	109.1060	0.000	1	109.1060	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:3:2:1:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6,6]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6](C[6]C[6a]O[6]H)(C[6,6]C[6]2)(O[6]C[6])(H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]O[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6]C[6a]O[6]H)(C[6,6]C[6]2)(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6a]O[6])	108.8350	0.000	1	108.8350	0.000	1	108.8350	0.000	1	108.8350	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:3:3:1:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6,6]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6](C[6]C[6a]O[6]H)(C[6,6]C[6,6]H)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6,6](C[6]C[6a]O[6]H)(C[6,6]C[6,6]H)(C[6]C[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6a]O[6])	108.0800	0.000	1	108.0800	0.000	1	108.0800	0.000	1	108.0800	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]O)(OH)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]O)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]O)	107.4830	0.000	1	107.4830	0.000	1	107.4830	0.000	1	108.3196	0.172	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OH)(H)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HO)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	H(C[6]C[6,6]C[6]O)	108.3330	0.000	1	108.2880	0.004	2	108.2880	0.004	2	108.3196	0.172	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OH)(H)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HO)(H){1|Se<2>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6,6]C[6]O)	108.2430	0.000	1	108.2880	0.004	2	108.2880	0.004	2	108.3196	0.172	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]H)(OH)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	108.5620	0.000	1	108.5620	0.000	1	108.5620	0.000	1	108.3196	0.172	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-3:Se-2:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(SeC[6a])(H)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]SeH)(H)	H(C[6]C[6,6]C[6]Se)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(SeC[6a])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]SeH)(H){1|Se<2>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6,6]C[6]Se)	108.7450	0.000	1	108.7450	0.000	1	108.7450	0.000	1	108.3196	0.172	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:3:4:1:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(H){3|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6]C[6a]O[6])	108.6080	0.000	1	108.6080	0.000	1	108.6080	0.000	1	108.3196	0.172	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:3:4:1:	4:	C[6,6]-4:N[6,6]-3:O-2:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(OH)(H)	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(C[6]N[6,6]HO)(H)	H(C[6]C[6,6]N[6,6]O)	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(OH)(H){2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(C[6]N[6,6]HO)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]N[6,6]O)	108.2630	0.000	1	108.2630	0.000	1	108.2630	0.000	1	108.3196	0.172	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(OH)(H)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]HO)(OH){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]O)	108.2140	0.000	1	108.2140	0.000	1	108.2140	0.000	1	108.2140	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:3:4:4:	4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[5a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[5a]O[6])	108.2194	0.148	5	108.2700	0.027	7	108.2700	0.027	7	108.5919	0.491	9	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:3:4:4:	4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[5a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[5a]O[6])	108.3965	0.175	2	108.2700	0.027	7	108.2700	0.027	7	108.5919	0.491	9	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]H)(OH)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]H)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]O)	109.2170	0.000	1	109.2170	0.000	1	109.2170	0.000	1	108.5919	0.491	9	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]O)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]O)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3){1|C<3>,1|O<1>,3|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]O)	110.2200	0.000	1	110.2200	0.000	1	110.2200	0.000	1	108.5919	0.491	9	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]H)(OH)(H)	C[6,6](C[6,6]C[6,6a]C[5,6]O)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]H)(OH)(H){1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6a]C[5,6]O)(C[6]C[6]HO)(O[6]C[6])(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]O)	107.4050	0.564	2	107.4050	0.318	2	109.1244	6.612	5	108.5437	7.313	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]O)	113.4660	0.000	1	113.4660	0.000	1	109.1244	6.612	5	108.5437	7.313	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(OH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(O[6]N[6,6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(OH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(O[6]N[6,6])(H){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]O)	107.9800	0.000	1	107.9800	0.000	1	109.1244	6.612	5	108.5437	7.313	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(OH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(O[6]N[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(OH)(H){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(O[6]N[6])(H){1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]O)	109.3660	0.000	1	109.3660	0.000	1	109.1244	6.612	5	108.5437	7.313	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]O[6]H)(C[6a]C[6a]2)(O[6]C[5,6])(H)	C[6,6](C[5,6,6]O[5,6]C[5]O[6])(C[6]C[6a]O[6]H)(O[6]C[6])(H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[5,6,6]O[6]H)(C[6a]C[6a]2)(O[6]C[5,6])(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[5,6,6]O[5,6]C[5]O[6])(C[6]C[6a]O[6]H)(O[6]C[6])(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]O[6])	105.6400	0.000	1	105.6400	0.000	1	105.6400	0.000	1	108.5437	7.313	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:2:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-2:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]N[6])(COO)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){2|N<3>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]N[6])(COO){1|S<4>,6|C<3>}	H(C[6]C[6,6]C[6a]O[6])	107.2880	0.000	1	107.2880	0.000	1	107.2880	0.000	1	107.2880	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(OH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HO)(C[6]C[6]C)(H)	H(C[6]C[6,6]2O)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(OH)(H){1|O<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HO)(C[6]C[6]C)(H){3|C<3>,4|H<1>}	H(C[6]C[6,6]2O)	108.0770	0.000	1	108.0770	0.000	1	108.0770	0.000	1	107.9412	0.755	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6a]-3:S-2:H-1:	C[6,6]-4:C[6]-4:N[6,6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(SC)(H)	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HS)(N[6,6]C[6]2)(H)	H(C[6]C[6,6a]C[6,6]S)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(SC)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HS)(N[6,6]C[6]2)(H){1|O<2>,2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6,6]S)	106.1770	0.000	1	106.1770	0.000	1	106.1770	0.000	1	107.9412	0.755	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OH)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HO)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	108.3460	0.075	2	108.3460	0.006	2	108.3460	0.006	2	107.9412	0.755	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[3,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]H)(C[6a]C[6a]2)(O[6]Si[6])(H)	C[6,6](C[3,6,6]N[3,6]C[3]C[6])(C[6]C[6a]O[6]H)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[3,6,6]C[6]H)(C[6a]C[6a]2)(O[6]Si[6])(H){1|N<3>,3|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3,6,6]N[3,6]C[3]C[6])(C[6]C[6a]O[6]H)(C[6]C[6]H)(H){1|Si<4>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6a]O[6])	107.8290	0.000	1	107.8290	0.000	1	107.8290	0.000	1	107.9412	0.755	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]O)(H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]O)(H){6|C<3>}	H(C[6]C[6,6]C[6a]O[6])	109.1360	0.000	1	109.1360	0.000	1	108.6805	0.415	2	107.9412	0.755	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,4|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	H(C[6]C[6,6]C[6a]O[6])	108.2250	0.000	1	108.2250	0.000	1	108.6805	0.415	2	107.9412	0.755	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6a]-3:S[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(S[6]C[6,6a])(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]S[6]H)(C[6]O[6]O)(H)	H(C[6]C[6,6]C[6a]S[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(S[6]C[6,6a])(H){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]S[6]H)(C[6]O[6]O)(H){1|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]S[6])	107.3940	0.000	1	107.3940	0.000	1	107.3940	0.000	1	107.9412	0.755	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[5,3x6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6]O)(C[6]O[6]O)(OH)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HO)(C[6]C[6]C)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,3x6]C[6]O)(C[6]O[6]O)(OH)(H){1|C<3>,4|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HO)(C[6]C[6]C)(OH){1|O<1>,3|C<4>,3|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]O)	108.9700	0.000	1	108.9700	0.000	1	108.9700	0.000	1	108.9700	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:3:3:	4:	C[6,6]-4:C[6a]-3:N[6]-2:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6,6](C[6]C[6a]N[6]H)2(C[6]N[6]O)2	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(N[6]C[6])(H){3|C<3>,3|H<1>,3|N<3>,3|O<1>}	C[6,6](C[6]C[6a]N[6]H)2(C[6]N[6]O)2{3|H<1>,6|C<3>}	H(C[6]C[6,6]C[6a]N[6])	107.0820	0.000	1	107.0820	0.000	1	107.0820	0.000	1	108.2212	0.468	5	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:3:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(O[6]C[6,6])(H)	C[6,6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(C[6]N[6]O)2	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(O[6]C[6,6])(H){2|C<3>,2|C<4>,2|N<3>,2|O<1>,5|H<1>}	C[6,6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(C[6]N[6]O)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6a]O[6])	108.3650	0.079	3	108.3650	0.006	3	108.5060	0.084	4	108.2212	0.468	5	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:3:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]N[6]O)2	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<4>,2|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]N[6]O)2{1|C<4>,3|H<1>,6|C<3>}	H(C[6]C[6,6]C[6a]O[6])	108.9290	0.000	1	108.9290	0.000	1	108.5060	0.084	4	108.2212	0.468	5	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(CN)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(CN)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]C)	106.4900	0.000	1	106.4900	0.000	1	106.4900	0.000	1	108.0477	1.524	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(OH)(H)	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(OH)(H){2|H<1>,5|C<4>}	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|C<3>,4|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]O)	108.3230	0.000	1	108.3230	0.000	1	108.3538	0.315	4	108.0477	1.524	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(OH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(OH)(H){2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]O)	108.3480	0.970	2	108.3640	0.471	3	108.3538	0.315	4	108.0477	1.524	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(OH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(OH)(H){2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	108.3960	0.000	1	108.3640	0.471	3	108.3538	0.315	4	108.0477	1.524	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[3,6,6]O)(OH)(H)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[3,6,6]O)(OH)(H){8|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|O<1>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]O)	109.3840	0.000	1	109.3840	0.000	1	107.6574	4.233	8	108.0477	1.524	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(OH)(H){1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	107.8845	0.779	2	107.8845	0.606	2	107.6574	4.233	8	108.0477	1.524	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(OH)(H){7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	110.7760	0.000	1	110.7760	0.000	1	107.6574	4.233	8	108.0477	1.524	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(OC)(H){7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	105.1600	0.750	2	105.1600	0.562	2	107.6574	4.233	8	108.0477	1.524	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(OH)(H){1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	106.2530	0.000	1	107.5050	3.135	2	107.6574	4.233	8	108.0477	1.524	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(OH)(H){1|C<3>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	108.7570	0.000	1	107.5050	3.135	2	107.6574	4.233	8	108.0477	1.524	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(OC)(H)	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(OC)(H){3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	109.5620	0.455	2	109.5620	0.207	2	108.0612	1.449	13	108.0477	1.524	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(OH)(H)	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(OH)(H){3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	108.2360	1.421	2	108.2360	2.020	2	108.0612	1.449	13	108.0477	1.524	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(OH)(H){7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]O)	106.3140	0.000	1	106.3140	0.000	1	108.0612	1.449	13	108.0477	1.524	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]O)	107.2610	0.000	1	107.2610	0.000	1	108.0612	1.449	13	108.0477	1.524	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]O)	107.3770	0.628	2	107.3770	0.394	2	108.0612	1.449	13	108.0477	1.524	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	107.6470	0.000	1	107.6470	0.000	1	108.0612	1.449	13	108.0477	1.524	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	107.4605	1.500	2	107.4605	2.249	2	108.0612	1.449	13	108.0477	1.524	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)(H){1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	109.3070	0.000	1	109.3070	0.000	1	108.0612	1.449	13	108.0477	1.524	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	H(C[6]C[6,6]C[6]O)	108.9950	0.000	1	108.9950	0.000	1	108.0612	1.449	13	108.0477	1.524	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)(H)	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2O)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)(H){1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2O)(C[6]C[6]HO)(H){3|C<3>,3|O<1>}	H(C[6]C[6,6]C[6]O)	108.4810	0.000	1	108.4810	0.000	1	108.4810	0.000	1	108.0477	1.524	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6a]-3:N[6]-2:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]O[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6])(H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]O[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6]C[6a]N[6])	107.5760	0.000	1	107.5760	0.000	1	107.5760	0.000	1	108.0477	1.524	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6a]O[6])	109.3040	0.000	1	109.3040	0.000	1	109.3040	0.000	1	108.0477	1.524	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6,6](C[5,6]C[5,6a]N[5,6]O)(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[6,6](C[5,6]C[5,6a]N[5,6]O)(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H){1|C<4>,1|S<4>,2|H<1>,6|C<3>}	H(C[6]C[6,6]C[6a]O[6])	108.2120	0.000	1	108.2120	0.000	1	108.2120	0.000	1	108.0477	1.524	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(H){6|C<3>}	H(C[6]C[6,6]C[6a]O[6])	108.8890	0.000	1	108.8890	0.000	1	108.5818	0.387	17	108.0477	1.524	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]O[6])	108.9945	0.187	2	108.9945	0.035	2	108.5818	0.387	17	108.0477	1.524	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])(H){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6a]O[6])	108.5480	0.000	1	108.5480	0.000	1	108.5818	0.387	17	108.0477	1.524	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|O<2>,5|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(H){6|C<3>}	H(C[6]C[6,6]C[6a]O[6])	108.0035	1.496	2	108.0035	2.237	2	108.5818	0.387	17	108.0477	1.524	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)2(H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)2(H){1|C<4>,2|H<1>,6|C<3>}	H(C[6]C[6,6]C[6a]O[6])	108.3825	0.589	2	108.3825	0.347	2	108.5818	0.387	17	108.0477	1.524	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){2|C<4>,3|C<3>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]O[6])	108.3525	0.380	4	108.3525	0.144	4	108.5818	0.387	17	108.0477	1.524	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|F<1>,1|N<3>,3|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]O[6])	109.3360	0.000	1	108.8505	0.471	2	108.5818	0.387	17	108.0477	1.524	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]O[6])	108.3650	0.000	1	108.8505	0.471	2	108.5818	0.387	17	108.0477	1.524	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)2(H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)2(H){1|C<4>,2|H<1>,6|C<3>}	H(C[6]C[6,6]C[6a]O[6])	109.2085	0.418	2	109.2085	0.175	2	108.5818	0.387	17	108.0477	1.524	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,7|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]O[6])	108.1650	0.000	1	108.1650	0.000	1	108.5818	0.387	17	108.0477	1.524	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6](C[6]C[6a]O[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6]C[6a]O[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6a]O[6])	105.0180	0.000	1	105.0180	0.000	1	105.0180	0.000	1	108.0477	1.524	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:C[6,6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6](C[6]C[6a]O[6]H)2(C[6,6]C[6]2H)(H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|Br<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6]C[6a]O[6]H)2(C[6,6]C[6]2H)(H){2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]O[6])	108.4175	0.186	2	108.5115	0.029	4	108.5115	0.029	4	108.0477	1.524	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:C[6,6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6](C[6]C[6a]O[6]H)2(C[6,6]C[6]2H)(H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6]C[6a]O[6]H)2(C[6,6]C[6]2H)(H){2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]O[6])	108.6055	0.129	2	108.5115	0.029	4	108.5115	0.029	4	108.0477	1.524	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6a]-3:S[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(S[6]C[6])(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6]H)(C[6]C[6a]S[6]H)(H)	H(C[6]C[6,6]C[6a]S[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(S[6]C[6])(H){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6]H)(C[6]C[6a]S[6]H)(H){1|H<1>,2|C<4>,5|C<3>}	H(C[6]C[6,6]C[6a]S[6])	106.4285	0.421	4	106.4285	0.177	4	106.6952	0.488	5	108.0477	1.524	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6a]-3:S[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(S[6]C[6])(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]S[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]S[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(S[6]C[6])(H){1|F<1>,2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]S[6]H)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]S[6])	107.7620	0.000	1	107.7620	0.000	1	106.6952	0.488	5	108.0477	1.524	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[6,6]-4:N[5]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[5]C[5]2)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(C[6]N[5]O[6]H)(H)	H(C[6]C[6,6]N[5]O[6])	C[6](C[6,6]C[6,6]C[6]H)(N[5]C[5]2)(O[6]C[6])(H){1|N<3>,3|C<4>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(C[6]N[5]O[6]H)(H){1|H<1>,1|S<4>,2|C<4>,5|C<3>}	H(C[6]C[6,6]N[5]O[6])	108.8020	0.000	1	108.8020	0.000	1	108.8020	0.000	1	108.0477	1.524	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[5,3x6]-4:C[3,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[3,6]O)(C[6]O[6]O)(OH)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,3x6]C[3,6]O)(C[6]O[6]O)(OH)(H){1|O<2>,5|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(OH){1|O<1>,3|C<4>,3|O<2>,7|H<1>}	H(C[6]C[6,6]C[6]O)	108.6100	0.000	1	108.6100	0.000	1	108.6100	0.000	1	107.5359	0.699	11	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]O)(OH)(H)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]O)(OH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]O)	107.5250	0.000	1	107.5250	0.000	1	107.7005	0.062	2	107.5359	0.699	11	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]O)	107.8760	0.000	1	107.8760	0.000	1	107.7005	0.062	2	107.5359	0.699	11	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]H)(OH)(H)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(C[6]C[6]HO)(O[6]C[6])	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]H)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(C[6]C[6]HO)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	106.7285	0.357	2	106.7285	0.128	2	106.7285	0.128	2	107.5359	0.699	11	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(CN)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){2|N<3>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(CN){1|S<4>,6|C<3>}	H(C[6]C[6,6]C[6a]O[6])	107.5080	0.000	1	107.5080	0.000	1	107.5712	0.857	6	107.5359	0.699	11	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(CN)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(CN){6|C<3>}	H(C[6]C[6,6]C[6a]O[6])	108.0200	0.000	1	107.9405	0.013	2	107.5712	0.857	6	107.5359	0.699	11	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(CN)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(CN){6|C<3>}	H(C[6]C[6,6]C[6a]O[6])	107.8610	0.000	1	107.9405	0.013	2	107.5712	0.857	6	107.5359	0.699	11	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(CN)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,1|O<2>,4|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(CN){1|S<4>,6|C<3>}	H(C[6]C[6,6]C[6a]O[6])	108.3250	0.000	1	108.3250	0.000	1	107.5712	0.857	6	107.5359	0.699	11	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(CN)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(CN){6|C<3>}	H(C[6]C[6,6]C[6a]O[6])	106.8565	1.551	2	106.8565	2.405	2	107.5712	0.857	6	107.5359	0.699	11	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]N)(C[6]O[6]O)(OH)(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]CH)(C[6]C[6]HO)(NCH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]N)(C[6]O[6]O)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]CH)(C[6]C[6]HO)(NCH){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]O)	108.7910	0.000	1	108.7910	0.000	1	108.7910	0.000	1	107.8450	0.947	11	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(COO)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){2|N<3>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]N[6]HH)(COO){1|S<4>,6|C<3>}	H(C[6]C[6,6]C[6a]O[6])	105.2290	0.000	1	105.2290	0.000	1	107.7504	0.943	10	107.8450	0.947	11	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(COO)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(COO){6|C<3>}	H(C[6]C[6,6]C[6a]O[6])	108.0795	0.032	2	108.1093	0.003	3	107.7504	0.943	10	107.8450	0.947	11	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(COO)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|N<3>,2|O<2>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(COO){6|C<3>}	H(C[6]C[6,6]C[6a]O[6])	108.1690	0.000	1	108.1093	0.003	3	107.7504	0.943	10	107.8450	0.947	11	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6])(H)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(COO)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6])(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(COO){6|C<3>}	H(C[6]C[6,6]C[6a]O[6])	107.7500	0.000	1	107.7500	0.000	1	107.7504	0.943	10	107.8450	0.947	11	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(COO)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(COO){6|C<3>}	H(C[6]C[6,6]C[6a]O[6])	107.8850	0.000	1	108.0394	0.330	5	107.7504	0.943	10	107.8450	0.947	11	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(COO)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|Cl<1>,1|O<2>,4|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(COO){6|C<3>}	H(C[6]C[6,6]C[6a]O[6])	108.8120	0.000	1	108.0394	0.330	5	107.7504	0.943	10	107.8450	0.947	11	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(COO)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(COO){6|C<3>}	H(C[6]C[6,6]C[6a]O[6])	108.2000	0.000	1	108.0394	0.330	5	107.7504	0.943	10	107.8450	0.947	11	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(COO)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|O<2>,5|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(COO){6|C<3>}	H(C[6]C[6,6]C[6a]O[6])	107.6500	0.610	2	108.0394	0.330	5	107.7504	0.943	10	107.8450	0.947	11	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)	H(C[6]C[5,6]C[6,6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OC)(H){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6,6]O)	110.0900	0.000	1	110.0900	0.000	1	109.1010	0.706	4	107.7366	2.486	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OC)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)	H(C[6]C[5,6]C[6,6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OC)(H){1|C<3>,1|H<1>,3|O<2>,5|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6,6]O)	109.5050	0.000	1	109.5050	0.000	1	109.1010	0.706	4	107.7366	2.486	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)	H(C[6]C[5,6]C[6,6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OH)(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[5,6]C[6,6]O)	108.4550	0.000	1	108.4045	0.005	2	109.1010	0.706	4	107.7366	2.486	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)	H(C[6]C[5,6]C[6,6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OH)(H){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[5,6]C[6,6]O)	108.3540	0.000	1	108.4045	0.005	2	109.1010	0.706	4	107.7366	2.486	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:4:	4:	C[6,6]-4:C[5a,6]-3:O-2:H-1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a,6]C[5a,6]C[5a])(OC)(H)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a,6]HO)(C[6]C[6]CH)(CH3)	H(C[6]C[5a,6]C[6,6]O)	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a,6]C[5a,6]C[5a])(OC)(H){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a,6]HO)(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[5a,6]C[6,6]O)	109.4330	0.000	1	109.4330	0.000	1	109.4330	0.000	1	107.7366	2.486	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:4:	4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[5a]O[6])	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[5a]O[6])	108.5137	0.213	3	108.5620	0.034	8	107.2485	6.345	13	107.7366	2.486	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:4:	4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[5a]O[6])	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[5a]O[6])	108.5910	0.185	5	108.5620	0.034	8	107.2485	6.345	13	107.7366	2.486	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:4:	4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[5a]O[6])	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>,3|O<2>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HO)(CH3){3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[5a]O[6])	108.8760	0.000	1	108.8760	0.000	1	107.2485	6.345	13	107.7366	2.486	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:4:	4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[5a]O[6])	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[5a]O[6])	104.2145	2.746	4	104.2145	7.543	4	107.2485	6.345	13	107.7366	2.486	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:4:	4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[5a]O[6])	C[6](C[6,6]C[3x6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[5a]O[6])	107.9360	0.000	1	107.8265	0.024	2	107.8265	0.024	2	107.7366	2.486	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:4:	4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[5a]O[6])	C[6](C[6,6]C[3x6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[5a]O[6])	107.7170	0.000	1	107.8265	0.024	2	107.8265	0.024	2	107.7366	2.486	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:4:	4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[5a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[5a]O[6])	107.4443	0.791	3	107.4443	0.626	3	107.5446	0.173	10	107.7366	2.486	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:4:	4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[5a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[5a]O[6])	107.4570	0.000	1	107.4570	0.000	1	107.5446	0.173	10	107.7366	2.486	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:4:	4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[5a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[5a]O[6])	107.8260	0.000	1	107.8260	0.000	1	107.5446	0.173	10	107.7366	2.486	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:4:	4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[5a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[5a]O[6])	107.7110	0.116	2	107.7110	0.013	2	107.5446	0.173	10	107.7366	2.486	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:4:	4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[5a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[5a]O[6])	107.4800	0.000	1	107.4800	0.000	1	107.5446	0.173	10	107.7366	2.486	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:4:	4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[5a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[5a]O[6])	107.6860	0.000	1	107.4640	0.099	2	107.5446	0.173	10	107.7366	2.486	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:4:	4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[5a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[5a]O[6])	107.2420	0.000	1	107.4640	0.099	2	107.5446	0.173	10	107.7366	2.486	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]O)(OH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]O)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|C<3>,1|O<1>,2|H<1>,2|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]O)	107.9980	0.000	1	107.9980	0.000	1	107.9980	0.000	1	107.7366	2.486	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(OH)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6]HH)(C[6]C[6]HO)(CH3){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]O)	107.3030	0.000	1	107.3030	0.000	1	107.3030	0.000	1	107.7366	2.486	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]O)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]O)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HO)(CH3){1|O<2>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	107.7330	0.000	1	107.7330	0.000	1	107.8302	0.566	6	107.7366	2.486	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	107.0950	0.083	2	107.4243	0.329	3	107.8302	0.566	6	107.7366	2.486	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	108.0830	0.000	1	107.4243	0.329	3	107.8302	0.566	6	107.7366	2.486	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(OH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	107.8530	0.000	1	108.4875	0.805	2	107.8302	0.566	6	107.7366	2.486	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(OH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(OH)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,4|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]O)	109.1220	0.000	1	108.4875	0.805	2	107.8302	0.566	6	107.7366	2.486	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]O)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]O)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HO)(CH3){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	107.8800	0.000	1	107.8800	0.000	1	108.0070	0.032	2	107.7366	2.486	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]O)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]O)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	108.1340	0.000	1	108.1340	0.000	1	108.0070	0.032	2	107.7366	2.486	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	3:3:4:1:	4:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[5a,6]N[6,6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(H){1|C<4>,4|H<1>,6|C<3>}	H(C[6]C[6,6]C[6a]N[6])	109.2640	0.000	1	109.2640	0.000	1	109.2640	0.000	1	109.2640	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	3:4:2:1:	4:	C[6,6]-4:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:O[6,6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(O[6,6]C[6,6])(H)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(O[6,6]C[6,6])(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]C)	108.0505	0.209	2	108.0505	0.044	2	108.0505	0.044	2	107.8553	0.136	3	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:S[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6a]C[6]H)(S[6]C[6,6a])(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6a]C[6]H)(S[6]C[6,6a])(H){1|H<1>,7|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.4650	0.000	1	107.4650	0.000	1	107.4650	0.000	1	107.8553	0.136	3	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(N[6,6]C[6]2)(H)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(N[6,6]C[6]2)(H){1|C<4>,4|H<1>,7|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	107.2150	0.000	1	107.2150	0.000	1	107.2150	0.000	1	107.2150	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	3:4:3:2:	4:	C[6,6]-4:C[6,6a]-3:C-3:H-1:	C[6,6]-3:C[6]-4:C[6a]-3:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)(O[6]C[6])	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H){1|C<4>,1|H<1>,6|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)(O[6]C[6]){1|N<3>,4|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6,6]C)	108.3900	0.000	1	108.3900	0.000	1	108.3900	0.000	1	108.3900	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-3:C-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]C[6])(CC[6a]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6]CH)(H)	H(C[6]C[6,6]2C)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]C[6])(CC[6a]O)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6]CH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6]2C)	107.9320	0.051	2	107.9320	0.003	2	107.9320	0.003	2	107.2384	0.658	19	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(H)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]C)	106.7020	0.000	1	106.7020	0.000	1	107.5807	1.079	3	107.2384	0.658	19	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(H)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6,6]C)	108.7270	0.000	1	108.0200	1.000	2	107.5807	1.079	3	107.2384	0.658	19	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(H)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(H){1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]C)	107.3130	0.000	1	108.0200	1.000	2	107.5807	1.079	3	107.2384	0.658	19	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6]C[6,6a]C[6a]H)(H)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6]C[6,6a]C[6a]H)(H){1|N<3>,2|H<1>,8|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	106.6150	0.045	2	106.6150	0.002	2	106.6150	0.002	2	107.2384	0.658	19	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6a]-3:N-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NCH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HN)(H)	H(C[6]C[6,6a]C[6,6]N)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NCH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HN)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]N)	105.9465	0.531	2	105.9465	0.282	2	105.9465	0.282	2	107.2384	0.658	19	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]O)(CC[6a]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]O)(CC[6a]O)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]C)	107.8620	0.000	1	107.8620	0.000	1	107.8620	0.000	1	107.2384	0.658	19	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:C-3:H-1:	N[3x6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]O)(COO)(H)	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]O)(COO)(H){3|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	108.2200	0.000	1	108.2200	0.000	1	108.2200	0.000	1	107.2384	0.658	19	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6a]C[6a]2)(H){1|B<4>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|P<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.4460	0.000	1	106.4460	0.000	1	106.4460	0.000	1	107.2384	0.658	19	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[5a,6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[5a,6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.4210	0.000	1	107.4210	0.000	1	107.4210	0.000	1	107.2384	0.658	19	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.2210	0.000	1	107.2210	0.000	1	107.2210	0.000	1	107.2384	0.658	19	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	3:4:4:1:	4:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]N[6])	108.3430	0.000	1	108.3430	0.000	1	108.3430	0.000	1	107.2384	0.658	19	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	3:4:4:1:	4:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(H){1|N<3>,2|H<1>,8|C<3>}	H(C[6]C[6,6]C[6a]N[6])	106.9223	0.419	3	106.9223	0.176	3	107.0717	0.207	4	107.2384	0.658	19	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	3:4:4:1:	4:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6,6a]S)(C[6a]C[6a]2)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6,6a]S)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(H){1|N<3>,1|S<4>,2|H<1>,7|C<3>}	H(C[6]C[6,6]C[6a]N[6])	107.5200	0.000	1	107.5200	0.000	1	107.0717	0.207	4	107.2384	0.658	19	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	3:4:4:4:	4:	C[6,6]-4:N[6]-3:C-3:H-1:	C[5,6]-3:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]2)(N[6]C[6]H)(COO)(H)	C[6,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)2(C[6]N[6]CH)	H(C[6]C[6,6]N[6]C)	C[6](C[6,6]C[5,6]C[6]2)(N[6]C[6]H)(COO)(H){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)2(C[6]N[6]CH){2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]N[6]C)	107.9280	0.000	1	107.9280	0.000	1	107.9280	0.000	1	107.9280	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:3:2:1:	4:	C[6,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:S[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]S[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(S[6]C[6,6a])(H)	H(C[6]C[5,6]C[6,6]C[6a])	C[6](C[6,6]C[6,6]S[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(S[6]C[6,6a])(H){1|H<1>,7|C<3>}	H(C[6]C[5,6]C[6,6]C[6a])	107.4820	0.000	1	107.4820	0.000	1	107.4820	0.000	1	107.4820	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:3:2:4:	4:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:O[6]-2:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(O[6]C[6,6a])(C[6]C[6]HH)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6]2O[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6,6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(O[6]C[6,6a])(C[6]C[6]HH){3|H<1>,6|C<3>}	H(C[6]C[6,6]C[6a]N[6])	108.6530	0.000	1	108.6530	0.000	1	108.6530	0.000	1	108.6530	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:3:3:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6,6](C[6]C[6a]N[6]H)(N[6,6]C[6]2)(C[6]N[6]O)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6,6](C[6]C[6a]N[6]H)(N[6,6]C[6]2)(C[6]N[6]O)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]N[6])	108.0150	0.000	1	108.0150	0.000	1	108.0150	0.000	1	107.8552	0.104	4	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:3:3:1:	4:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6a]N[6]H)(N[6,6]C[6]2)(C[6]N[6]O)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[6,6](C[6]C[6a]N[6]H)(N[6,6]C[6]2)(C[6]N[6]O)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]N[6])	107.8020	0.374	3	107.8020	0.140	3	107.8020	0.140	3	107.8552	0.104	4	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:3:3:2:	4:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C[6]-3:S[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2S[6])(C[6]C[6]H)(COO)(H)	C[6,6](C[6]C[6]CH)(C[6]O[6]O)2(S[6]C[6])	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]2S[6])(C[6]C[6]H)(COO)(H){1|C<4>,1|H<1>,2|O<1>,2|O<2>}	C[6,6](C[6]C[6]CH)(C[6]O[6]O)2(S[6]C[6]){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	105.9050	0.000	1	105.9050	0.000	1	105.9050	0.000	1	105.9050	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.3030	0.000	1	107.3030	0.000	1	107.0713	0.737	7	107.8670	0.450	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|B<4>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|P<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.5780	0.849	2	106.5780	0.720	2	107.0713	0.737	7	107.8670	0.450	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]N[6]HH)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]N[6]HH)(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.1205	0.197	2	108.1205	0.039	2	107.0713	0.737	7	107.8670	0.450	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|S<4>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.3995	0.131	2	106.3995	0.017	2	107.0713	0.737	7	107.8670	0.450	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6,6](C[6]C[6a]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6]C[6a]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,2|O<1>,4|C<4>}	H(C[6]C[6,6]C[6a]C[6])	106.8150	0.000	1	106.8150	0.000	1	106.8150	0.000	1	107.8670	0.450	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6]C[6a]N[6])	107.8945	0.325	2	107.8945	0.105	2	107.9547	0.259	48	107.8670	0.450	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){2|C<4>,4|C<3>,5|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]C)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]N[6])	108.1090	0.000	1	108.1090	0.000	1	107.9547	0.259	48	107.8670	0.450	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]N)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<2>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]N)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]N[6])	108.1365	0.168	4	108.1365	0.028	4	107.9547	0.259	48	107.8670	0.450	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|Br<1>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]N[6])	108.3940	0.436	2	108.0798	0.107	37	107.9547	0.259	48	107.8670	0.450	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|Br<1>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]N[6])	108.0755	0.342	2	108.0798	0.107	37	107.9547	0.259	48	107.8670	0.450	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|Cl<1>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]N[6])	108.1880	0.346	2	108.0798	0.107	37	107.9547	0.259	48	107.8670	0.450	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|F<1>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]N[6])	108.5070	0.296	2	108.0798	0.107	37	107.9547	0.259	48	107.8670	0.450	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|F<1>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]N[6])	108.6130	0.000	1	108.0798	0.107	37	107.9547	0.259	48	107.8670	0.450	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]N[6])	108.0493	0.298	6	108.0798	0.107	37	107.9547	0.259	48	107.8670	0.450	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]N[6])	108.4637	0.067	3	108.0798	0.107	37	107.9547	0.259	48	107.8670	0.450	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]N[6])	107.8865	0.224	15	108.0798	0.107	37	107.9547	0.259	48	107.8670	0.450	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]N[6])	107.9860	0.518	2	108.0798	0.107	37	107.9547	0.259	48	107.8670	0.450	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]N[6])	108.0260	0.158	2	108.0798	0.107	37	107.9547	0.259	48	107.8670	0.450	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6a]N[6])	106.6350	0.059	2	106.6072	0.044	4	107.9547	0.259	48	107.8670	0.450	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6a]N[6])	106.5795	0.354	2	106.6072	0.044	4	107.9547	0.259	48	107.8670	0.450	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:3:4:1:	4:	C[6,6]-4:N[6]-3:C-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(N[6]C[6]C)(COO)(H)	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	H(C[6]C[6,6]N[6]C)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(N[6]C[6]C)(COO)(H){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|C<4>,2|N<3>,4|H<1>,5|C<3>}	H(C[6]C[6,6]N[6]C)	109.0745	0.489	2	109.0745	0.239	2	109.0745	0.239	2	107.8670	0.450	58	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6,6]-4:C[6]-3:C[6]-4:C-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(COO)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]CH)(CN)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(COO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]CH)(CN){2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]C)	106.8110	0.000	1	106.8110	0.000	1	106.8110	0.000	1	106.8110	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:3:4:3:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO){3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6a]N[6])	107.3047	1.399	6	107.3047	1.958	6	106.7909	2.945	23	106.7909	2.945	23	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:3:4:3:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO){1|N<2>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6a]N[6])	107.8410	0.066	2	106.6096	3.304	17	106.7909	2.945	23	106.7909	2.945	23	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:3:4:3:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO){1|N<2>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6a]N[6])	106.9045	0.473	2	106.6096	3.304	17	106.7909	2.945	23	106.7909	2.945	23	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:3:4:3:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO){1|N<2>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6a]N[6])	106.6769	2.054	11	106.6096	3.304	17	106.7909	2.945	23	106.7909	2.945	23	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:3:4:3:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO){1|N<2>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6a]N[6])	104.7130	0.086	2	106.6096	3.304	17	106.7909	2.945	23	106.7909	2.945	23	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:3:4:4:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|F<1>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]N[6])	107.5940	0.000	1	107.5651	0.043	7	107.5651	0.043	7	107.5651	0.043	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:3:4:4:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]N[6])	107.8570	0.000	1	107.5651	0.043	7	107.5651	0.043	7	107.5651	0.043	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:3:4:4:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]N[6])	107.7390	0.000	1	107.5651	0.043	7	107.5651	0.043	7	107.5651	0.043	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:3:4:4:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]N[6])	107.4415	0.164	4	107.5651	0.043	7	107.5651	0.043	7	107.5651	0.043	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:2:1:	4:	C[6,6]-4:C[5a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(C[6]C[6]N)(H)	C[6,6](C[6,6]C[6]N[6]O[6])(C[6]C[5a]C[6]H)(O[6]C[6])(H)	H(C[6]C[6,6]C[5a]C[6])	C[6](C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(C[6]C[6]N)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]N[6]O[6])(C[6]C[5a]C[6]H)(O[6]C[6])(H){1|N<3>,2|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[5a]C[6])	107.4040	0.000	1	107.4040	0.000	1	107.4040	0.000	1	107.4040	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H)	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]2C[6a])	106.2950	0.000	1	107.3753	1.234	7	107.3753	1.234	7	107.5944	1.356	26	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H)	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|H<1>,2|C<3>,2|O<1>,3|O<2>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]2C[6a])	106.2165	0.299	2	107.3753	1.234	7	107.3753	1.234	7	107.5944	1.356	26	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H)	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,2|O<1>,2|O<2>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]2C[6a])	108.2248	0.438	4	107.3753	1.234	7	107.3753	1.234	7	107.5944	1.356	26	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CCH)(H)	C[6,6](C[6,6]C[6,6]ClH)(C[6]C[6]CH)(N[6]C[6]C)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CCH)(H){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]ClH)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	H(C[6]C[6,6]C[6]C)	106.6090	0.185	2	106.6090	0.034	2	106.6090	0.034	2	107.5944	1.356	26	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6,6](C[6,6]C[6,6]HI)(C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){1|C<4>,1|I<1>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]HI)(C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.1740	0.000	1	107.1740	0.000	1	107.1740	0.000	1	107.5944	1.356	26	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|O<1>,3|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	105.6110	0.796	2	105.6110	0.634	2	105.6110	0.634	2	107.5944	1.356	26	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6,6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6](C[6]C[6a]N[6]H)2(C[6,6]C[6,6]N)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<2>,1|N<3>,4|C<3>,4|H<1>}	C[6,6](C[6]C[6a]N[6]H)2(C[6,6]C[6,6]N)(H){2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]N[6])	107.2188	0.391	4	107.2188	0.153	4	108.2598	0.896	12	107.5944	1.356	26	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6,6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6](C[6]C[6a]N[6]H)2(C[6,6]C[6,6]O)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6,6](C[6]C[6a]N[6]H)2(C[6,6]C[6,6]O)(H){2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]N[6])	108.7804	0.643	8	108.7804	0.413	8	108.2598	0.896	12	107.5944	1.356	26	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:3:1:	4:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,3|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	H(C[6]C[6,6]C[6a]N[6])	107.9490	0.000	1	107.9490	0.000	1	107.5475	0.322	2	107.5944	1.356	26	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:3:1:	4:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(C[6]O[6]O)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(C[6]O[6]O)(H){2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]N[6])	107.1460	0.000	1	107.1460	0.000	1	107.5475	0.322	2	107.5944	1.356	26	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(C[6]O[6]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(C[6]O[6]O){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.5750	0.000	1	107.5750	0.000	1	106.6227	0.747	3	106.7855	0.604	4	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6](C[6]C[6a]C[6]H)2(C[6]O[6]O)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|O<1>,2|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6]C[6a]C[6]H)2(C[6]O[6]O)2{1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	105.8880	0.000	1	105.8880	0.000	1	106.6227	0.747	3	106.7855	0.604	4	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]S)(H)	C[6,6](C[6]C[6a]C[6]H)2(C[6]C[6]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]S)(H){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	C[6,6](C[6]C[6a]C[6]H)2(C[6]C[6]H)2{1|S<4>,4|C<4>,6|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.4050	0.000	1	106.4050	0.000	1	106.6227	0.747	3	106.7855	0.604	4	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:3:3:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6](C[6]C[6a]N[6]H)2(C[6]N[6]O)2	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<2>,2|N<3>,3|C<3>,3|H<1>,3|O<1>}	C[6,6](C[6]C[6a]N[6]H)2(C[6]N[6]O)2{3|H<1>,6|C<3>}	H(C[6]C[6,6]C[6a]N[6])	107.2740	0.000	1	107.2740	0.000	1	107.2740	0.000	1	106.7855	0.604	4	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[6]-4:C[6,6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[5,6]C[6a]H)2(C[6,6]N[6]O[6]H)(H)	H(C[6]C[5,6]C[6,6]C[6a])	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6,6](C[6]C[5,6]C[6a]H)2(C[6,6]N[6]O[6]H)(H){1|C<4>,9|C<3>}	H(C[6]C[5,6]C[6,6]C[6a])	108.8520	0.000	1	108.3540	0.256	3	108.3540	0.256	3	107.4445	1.749	66	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[6]-4:C[6,6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[5,6]C[6a]H)2(C[6,6]N[6]O[6]H)(H)	H(C[6]C[5,6]C[6,6]C[6a])	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6,6](C[6]C[5,6]C[6a]H)2(C[6,6]N[6]O[6]H)(H){2|C<4>,8|C<3>}	H(C[6]C[5,6]C[6,6]C[6a])	108.1050	0.373	2	108.3540	0.256	3	108.3540	0.256	3	107.4445	1.749	66	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[3x6]N[6,6]C[6]O[6])(C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[3x6]N[6,6]C[6]O[6])(C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(H){3|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]2C[6a])	106.6900	0.092	2	106.6900	0.008	2	106.6900	0.008	2	107.4445	1.749	66	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]N)(C[6]C[6]HH)(H)	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,3|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]N)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]2C[6a])	108.1130	0.000	1	108.1130	0.000	1	107.3880	0.468	3	107.4445	1.749	66	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]N[6]O[6]H)(C[6]C[6]CH)(H)	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]N[6]O[6]H)(C[6]C[6]CH)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]2C[6a])	106.7530	0.000	1	106.7530	0.000	1	107.3880	0.468	3	107.4445	1.749	66	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]N[6]O[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]N[6]O[6]H)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]2C[6a])	107.2980	0.000	1	107.2980	0.000	1	107.3880	0.468	3	107.4445	1.749	66	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]O)(CC[6a]O)(H)	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]O)(CC[6a]O)(H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	H(C[6]C[6,6]C[6]C)	109.3390	0.000	1	109.3390	0.000	1	109.3390	0.000	1	107.4445	1.749	66	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]C)	107.4180	0.000	1	107.4180	0.000	1	107.2362	0.057	5	107.4445	1.749	66	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]C)	107.1380	0.000	1	107.1380	0.000	1	107.2362	0.057	5	107.4445	1.749	66	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO)(H)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]C)	107.2470	0.000	1	107.2470	0.000	1	107.2362	0.057	5	107.4445	1.749	66	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(CC[6a]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(CC[6a]O)(H){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.4900	0.000	1	107.4900	0.000	1	107.2362	0.057	5	107.4445	1.749	66	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(COO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(COO)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]C)	106.8880	0.000	1	106.8880	0.000	1	107.2362	0.057	5	107.4445	1.749	66	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]N[5,6]O[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[6,6](C[6,6]N[5,6]O[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H){1|H<1>,1|S<4>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.2415	0.374	2	107.2415	0.140	2	107.2415	0.140	2	107.4445	1.749	66	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:N-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NCC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NCC)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]N)	105.6960	0.000	1	105.6960	0.000	1	105.6960	0.000	1	107.4445	1.749	66	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:N[5]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(N[5]C[5]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[5]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]N[5])	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(N[5]C[5]2)(H){6|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[5]H)(C[6]C[6]HH)(H){1|O<1>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]N[5])	106.4830	0.000	1	106.4830	0.000	1	106.4830	0.000	1	107.4445	1.749	66	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[3x6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6a]C[6]H)(C[6]C[6]CH)(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.1000	0.000	1	106.1000	0.000	1	106.1000	0.000	1	107.4445	1.749	66	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){2|C<4>,3|H<1>,5|C<3>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]CH)(H){1|H<1>,1|N<2>,3|C<3>,3|C<4>,3|O<1>}	H(C[6]C[6,6]C[6a]C[6])	105.6210	0.000	1	105.6210	0.000	1	105.6210	0.000	1	107.4445	1.749	66	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6a]C[6]H)(C[6]S[6]HH)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,1|S<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6a]C[6]H)(C[6]S[6]HH)(H){2|H<1>,6|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.8240	0.000	1	106.8240	0.000	1	106.3913	0.729	3	107.4445	1.749	66	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H){1|H<1>,1|S<4>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.9420	0.000	1	106.9420	0.000	1	106.3913	0.729	3	107.4445	1.749	66	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|O<2>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6]C[6a]C[6])	105.4080	0.000	1	105.4080	0.000	1	106.3913	0.729	3	107.4445	1.749	66	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	108.7795	0.479	4	108.4392	0.462	6	108.4392	0.462	6	107.4445	1.749	66	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|N<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.7585	0.482	2	108.4392	0.462	6	108.4392	0.462	6	107.4445	1.749	66	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6,6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(C[6,6]O[6]2H)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|O<2>,4|C<3>,5|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(C[6,6]O[6]2H)(H){1|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.8000	0.154	2	107.8000	0.024	2	107.8000	0.024	2	107.4445	1.749	66	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,3|C<3>,7|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6a]N[6])	106.2425	2.484	2	105.5015	3.064	6	106.2769	2.378	15	107.4445	1.749	66	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,3|C<3>,7|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6a]N[6])	105.1310	1.581	4	105.5015	3.064	6	106.2769	2.378	15	107.4445	1.749	66	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6]H)(C[6]C[6a]S[6]H)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|S<2>,4|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6]H)(C[6]C[6a]S[6]H)(H){1|H<1>,2|C<4>,5|C<3>}	H(C[6]C[6,6]C[6a]N[6])	105.8520	0.288	4	105.8520	0.083	4	106.2769	2.378	15	107.4445	1.749	66	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]N[6])	106.9365	0.375	2	106.9365	0.141	2	106.2769	2.378	15	107.4445	1.749	66	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6](C[6,6]C[6a]N[6]2)(C[6]C[6a]N[6]H)2(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,3|H<1>,3|N<3>,4|C<3>}	C[6,6](C[6,6]C[6a]N[6]2)(C[6]C[6a]N[6]H)2(H){4|H<1>,8|C<3>}	H(C[6]C[6,6]C[6a]N[6])	107.3040	1.182	2	107.3040	1.398	2	106.2769	2.378	15	107.4445	1.749	66	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|O<2>,4|H<1>}	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]N[6])	109.2560	0.000	1	109.2560	0.000	1	106.2769	2.378	15	107.4445	1.749	66	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:C[6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[3x6]C[6])(C[6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]N[6,6]C[6])	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[3x6]C[6])(C[6]C[6]2)(H){2|N<3>,5|C<4>,9|H<1>}	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,6|C<4>}	H(C[6]C[6,6]N[6,6]C[6])	108.9230	0.000	1	108.9230	0.000	1	108.9230	0.000	1	107.4445	1.749	66	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]N[6]CH)(H)	H(C[6]C[6,6]N[6]C)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]N[6]CH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	H(C[6]C[6,6]N[6]C)	107.3500	0.000	1	107.3500	0.000	1	107.6612	1.444	5	107.4445	1.749	66	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(COO)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]N[6]CH)(H)	H(C[6]C[6,6]N[6]C)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(COO)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]N[6]CH)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]N[6]C)	107.2180	0.000	1	107.2180	0.000	1	107.6612	1.444	5	107.4445	1.749	66	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]S[6]H)(CCH)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]CH)(H)	H(C[6]C[6,6]N[6]C)	C[6](C[6,6]C[6,6]C[6]H)(N[6]S[6]H)(CCH)(H){1|N<3>,2|C<4>,2|O<1>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]CH)(H){1|S<4>,2|C<4>,5|H<1>}	H(C[6]C[6,6]N[6]C)	109.1960	0.000	1	109.1960	0.000	1	107.6612	1.444	5	107.4445	1.749	66	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]S[6]H)(CCO)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]CH)(H)	H(C[6]C[6,6]N[6]C)	C[6](C[6,6]C[6,6]C[6]H)(N[6]S[6]H)(CCO)(H){1|N<3>,2|C<4>,2|O<1>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]CH)(H){1|S<4>,2|C<4>,5|H<1>}	H(C[6]C[6,6]N[6]C)	107.2710	1.680	2	107.2710	2.823	2	107.6612	1.444	5	107.4445	1.749	66	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]N[6])	108.8075	0.054	2	108.6138	0.151	13	108.5741	0.161	14	107.4445	1.749	66	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]N[6])	108.5785	0.415	11	108.6138	0.151	13	108.5741	0.161	14	107.4445	1.749	66	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]S)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(C[6]N[5]O[6]H)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]S)(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,4|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(C[6]N[5]O[6]H)(H){1|H<1>,1|S<4>,2|C<4>,5|C<3>}	H(C[6]C[6,6]C[6a]N[6])	108.0590	0.000	1	108.0590	0.000	1	108.5741	0.161	14	107.4445	1.749	66	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:2:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]O)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){1|C<4>,3|C<3>,7|H<1>}	H(C[6]C[6,6]C[6a]C[6])	105.7440	0.000	1	105.7440	0.000	1	105.7440	0.000	1	105.7440	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]O)(COO)(H)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(N[6]C[6]H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]O)(COO)(H){3|C<4>,7|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]C)	108.8400	0.071	2	108.8400	0.005	2	108.8400	0.005	2	106.0935	3.011	11	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:3:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]O[6]HH)(NOO)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]N)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]O[6]HH)(NOO){1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.5060	0.000	1	107.5060	0.000	1	107.5060	0.000	1	106.0935	3.011	11	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:3:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[5,6]C)(H)	C[6,6](C[5,6,6]C[5,6,6]N[5,6]O)(C[6]C[6a]N[6]H)(C[6]N[6]HH)(COO)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[5,6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[5,6]C)(H){1|C<4>,1|O<2>,2|N<3>,3|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,6,6]N[5,6]O)(C[6]C[6a]N[6]H)(C[6]N[6]HH)(COO){1|N<2>,4|C<3>,4|C<4>}	H(C[6]C[6,6]C[6a]N[6])	104.5120	0.000	1	104.5120	0.000	1	104.5120	0.000	1	106.0935	3.011	11	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:3:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6a]N[6]H)(C[6]N[6]HH)(COO)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6a]N[6]H)(C[6]N[6]HH)(COO){1|N<2>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6a]N[6])	105.0463	0.777	6	105.0463	0.604	6	105.0463	0.604	6	106.0935	3.011	11	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:3:	4:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(NOO)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]N)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){2|C<4>,4|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(NOO){5|H<1>,7|C<3>}	H(C[6]C[6,6]C[6a]N[6])	107.0530	0.000	1	107.0530	0.000	1	107.0530	0.000	1	106.0935	3.011	11	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	104.8200	0.000	1	106.2882	0.597	6	106.8143	0.897	12	106.8810	0.880	13	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	106.5818	0.316	5	106.2882	0.597	6	106.8143	0.897	12	106.8810	0.880	13	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]C)	106.2720	0.000	1	106.3690	0.019	2	106.8143	0.897	12	106.8810	0.880	13	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	106.4660	0.000	1	106.3690	0.019	2	106.8143	0.897	12	106.8810	0.880	13	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CHO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CHO)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	107.4130	0.163	2	107.4130	0.026	2	106.8143	0.897	12	106.8810	0.880	13	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CHO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CHO)(H){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	108.2390	0.040	2	108.2390	0.002	2	106.8143	0.897	12	106.8810	0.880	13	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]C)(CCH)(H)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]N[6]CH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]3)(C[6]C[6]C)(CCH)(H){1|N<3>,4|C<4>,5|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]N[6]CH){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	107.6820	0.000	1	107.6820	0.000	1	107.6820	0.000	1	106.8810	0.880	13	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	2:4:4:2:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	O[6]-2:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]O)(CH3)(H)	C[6,6](O[6]C[6,6a])(C[6]C[6]CH)2(O[6]C[6])	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]O)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](O[6]C[6,6a])(C[6]C[6]CH)2(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	106.8350	0.219	2	106.8350	0.048	2	106.8350	0.048	2	106.8350	0.048	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(CCHH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,1|S<2>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]C)	106.2130	0.000	1	106.2130	0.000	1	106.2130	0.000	1	106.2130	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	3:3:4:4:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-3:C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]2H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]2)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6,6a]O)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]2H)(C[6]C[6]HH){1|O<2>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]2)	104.8910	0.000	1	104.8910	0.000	1	104.8910	0.000	1	105.6235	1.073	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	3:3:4:4:	4:	C[6,6]-4:C[6]-3:Si-4:H-1:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]H)(SiC3)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]SiH)(CH3)	H(C[6]C[6,6]C[6]Si)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]H)(SiC3)(H){1|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]SiH)(CH3){1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]Si)	106.3560	0.000	1	106.3560	0.000	1	106.3560	0.000	1	105.6235	1.073	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(N[6,6]C[6]2)(H)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H){1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(N[6,6]C[6]2)(H){1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6,6]C)	107.8390	0.000	1	107.8390	0.000	1	107.8390	0.000	1	107.8390	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	3:4:3:4:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CH3)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CH3)(H){1|H<1>,2|C<3>,2|O<2>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)(CH3){2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]C)	108.3770	0.000	1	108.3770	0.000	1	108.3770	0.000	1	108.3770	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CH3)(H)	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]C)	107.5660	0.000	1	107.5660	0.000	1	107.5660	0.000	1	107.5257	0.876	11	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.9835	0.030	2	107.9835	0.001	2	107.9835	0.001	2	107.5257	0.876	11	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]H)(CH3)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]CH)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]H)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]CH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]C)	105.5770	0.000	1	105.5770	0.000	1	107.0120	2.002	3	107.5257	0.876	11	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(CH3)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(CH3)(H){1|N<3>,2|C<4>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N)(C[6]C[6]CH)(H){1|O<2>,4|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]C)	108.4060	0.000	1	108.4060	0.000	1	107.0120	2.002	3	107.5257	0.876	11	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]O)(CH3)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]O)(CH3)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]C)	107.0530	0.000	1	107.0530	0.000	1	107.0120	2.002	3	107.5257	0.876	11	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	N[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]O)(CH3)(H)	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]OO)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]O)(CH3)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]OO)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	106.1870	0.000	1	106.1870	0.000	1	106.1870	0.000	1	107.5257	0.876	11	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H){3|C<4>,4|H<1>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	108.5800	0.000	1	108.5800	0.000	1	108.5800	0.000	1	107.5257	0.876	11	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:P-4:H-1:	C[6,6a]-3:C[3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[3x6]H)(C[6]N[6]O)(PO3)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HP)(H)	H(C[6]C[6,6]C[6]P)	C[6](C[6,6]C[6,6a]C[3x6]H)(C[6]N[6]O)(PO3)(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HP)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]P)	107.4800	0.000	1	107.4800	0.000	1	107.4800	0.000	1	107.5257	0.876	11	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:S-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]O)(SC[6a]OO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HS)(H)	H(C[6]C[6,6]C[6]S)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]O)(SC[6a]OO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HS)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6]C[6]S)	107.6510	0.000	1	107.6510	0.000	1	107.6510	0.000	1	107.5257	0.876	11	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6a]C[6]H)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6a]C[6]H)(H){2|C<4>,5|C<3>,5|H<1>}	H(C[6]C[6,6]C[6a]C[6])	108.3160	0.000	1	108.3160	0.000	1	108.3160	0.000	1	107.5257	0.876	11	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-3:Si-4:H-1:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6a]C)(C[6]C[6]H)(SiC3)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]SiH)(CH3)	H(C[6]C[6,6]C[6]Si)	C[6](C[6,6]C[5,6,6]C[6,6a]C)(C[6]C[6]H)(SiC3)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]SiH)(CH3){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]Si)	103.5670	0.000	1	103.5670	0.000	1	103.5670	0.000	1	103.5670	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,2|O<1>}	H(C[6]C[6,6]C[6]C)	106.8200	0.000	1	106.8200	0.000	1	106.8200	0.000	1	106.8200	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:3:2:1:	4:	C[6,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H)	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6,6]O)(O[6]C[6])(H)	H(C[6]C[6,6]C[5a]C[6])	C[6](C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6,6]O)(O[6]C[6])(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[5a]C[6])	108.1930	0.000	1	108.1930	0.000	1	108.1930	0.000	1	108.1930	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[5,5,6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]N[6,6]H)(C[6]C[6]O)(CH3)(H)	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6,6]C[6,6]C)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,5,6,6]N[6,6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6,6]C[6,6]C)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]C)	108.1410	0.000	1	108.3225	0.066	2	108.3225	0.066	2	107.0141	0.813	17	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[5,5,6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]N[6,6]H)(C[6]C[6]O)(CH3)(H)	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6,6]C[6,6]C)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,5,6,6]N[6,6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6,6]C[6,6]C)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]C)	108.5040	0.000	1	108.3225	0.066	2	108.3225	0.066	2	107.0141	0.813	17	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(CCHH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]O)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(CCHH)(H){1|O<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]O)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]C)	106.0330	0.000	1	106.0330	0.000	1	106.0330	0.000	1	107.0141	0.813	17	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-3:P-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]N[6]O)(PO3)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(H)	H(C[6]C[6,6]C[6]P)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]N[6]O)(PO3)(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]P)	106.7800	0.000	1	106.7800	0.000	1	106.7800	0.000	1	107.0141	0.813	17	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,3|C<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.5480	0.000	1	106.5480	0.000	1	106.6865	0.696	8	107.0141	0.813	17	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]S[6]HH)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|Br<1>,1|N<3>,1|S<2>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]S[6]HH)(H){1|C<4>,1|H<1>,3|C<2>,3|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.8110	0.000	1	106.8110	0.000	1	106.6865	0.696	8	107.0141	0.813	17	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6,6]N)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6,6]N)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.1400	0.000	1	106.1400	0.000	1	106.6865	0.696	8	107.0141	0.813	17	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.6635	1.949	2	106.5280	1.955	3	106.6865	0.696	8	107.0141	0.813	17	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.2570	0.000	1	106.5280	1.955	3	106.6865	0.696	8	107.0141	0.813	17	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6a]C[6])	107.1110	0.000	1	107.1110	0.000	1	106.6865	0.696	8	107.0141	0.813	17	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HP)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HP)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)(H){1|P<4>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.2980	0.000	1	107.2980	0.000	1	106.6865	0.696	8	107.0141	0.813	17	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](C[6]C[6a]C[6]H)(N[6,6]O[6]2)(C[6]C[6]CC)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|H<1>,5|C<3>}	C[6,6](C[6]C[6a]C[6]H)(N[6,6]O[6]2)(C[6]C[6]CC)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.2500	0.989	3	107.2578	0.620	5	107.2578	0.620	5	107.0141	0.813	17	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](C[6]C[6a]C[6]H)(N[6,6]O[6]2)(C[6]C[6]CC)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(N[6,6]O[6]2)(C[6]C[6]CC)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.7580	0.000	1	107.2578	0.620	5	107.2578	0.620	5	107.0141	0.813	17	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](C[6]C[6a]C[6]H)(N[6,6]O[6]2)(C[6]C[6]CC)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,2|O<2>,3|C<4>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(N[6,6]O[6]2)(C[6]C[6]CC)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.7810	0.000	1	107.2578	0.620	5	107.2578	0.620	5	107.0141	0.813	17	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:3:4:3:	4:	C[6,6]-4:C[6]-3:N[6]-4:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]CuC)(H)	C[6,6](C[6]C[6]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO)	H(C[6]C[6,6]C[6]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]CuC)(H){1|C<4>,1|N<4>,1|O<1>,3|C<3>,4|H<1>}	C[6,6](C[6]C[6]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO){1|Cu<6>,1|N<3>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]N[6])	108.1470	0.363	2	108.1470	0.132	2	108.1470	0.132	2	107.8310	0.366	3	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:3:4:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[6]N[6]S)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|S<1>,2|O<1>,3|C<3>,4|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[6]N[6]S){4|H<1>,6|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.1990	0.000	1	107.1990	0.000	1	107.1990	0.000	1	107.8310	0.366	3	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CH3)(H)	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]C)	108.3270	0.000	1	108.3270	0.000	1	108.3270	0.000	1	108.3270	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]O)(CH3)(H)	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]CH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]O)(CH3)(H){1|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]CH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	107.1000	0.000	1	107.1000	0.000	1	107.1000	0.000	1	106.8685	0.107	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:S[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]O)(CH3)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(S[6]C[6])(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]O)(CH3)(H){2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(S[6]C[6])(H){1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	106.6370	0.000	1	106.6370	0.000	1	106.6370	0.000	1	106.8685	0.107	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(CH3)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(CH3)(H){1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	106.7350	0.000	1	106.7350	0.000	1	106.7350	0.000	1	107.1142	2.027	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(CCCH)(H)	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]CH)(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	106.4680	0.000	1	106.4680	0.000	1	106.0705	0.316	2	107.1142	2.027	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(CCHH)(H)	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]CH)(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	105.6730	0.000	1	105.6730	0.000	1	106.0705	0.316	2	107.1142	2.027	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(CH3)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(CH3)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.7850	0.194	2	107.7850	0.038	2	107.4158	3.397	12	107.1142	2.027	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(CH3)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.8280	0.000	1	107.8280	0.000	1	107.4158	3.397	12	107.1142	2.027	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CH3)(H){1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	101.9990	0.000	1	101.9990	0.000	1	107.4158	3.397	12	107.1142	2.027	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H){3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.3280	1.533	2	107.3280	2.350	2	107.4158	3.397	12	107.1142	2.027	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	107.9903	0.241	4	108.1562	0.378	6	107.4158	3.397	12	107.1142	2.027	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)(H){1|N<4>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	108.4880	1.178	2	108.1562	0.378	6	107.4158	3.397	12	107.1142	2.027	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CCHO)(H)	C[6,6](C[6,6]C[6,6]ClH)(C[6]C[6]CH)(N[6]C[6]C)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CCHO)(H){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]ClH)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	H(C[6]C[6,6]C[6]C)	106.1500	0.000	1	106.1500	0.000	1	105.9655	0.068	2	107.1142	2.027	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CClCH)(H)	C[6,6](C[6,6]C[6,6]ClH)(C[6]C[6]CH)(N[6]C[6]C)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CClCH)(H){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]ClH)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	H(C[6]C[6,6]C[6]C)	105.7810	0.000	1	105.7810	0.000	1	105.9655	0.068	2	107.1142	2.027	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<2>,5|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.6350	0.000	1	107.6755	2.165	2	107.6755	2.165	2	107.1142	2.027	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	108.7160	0.000	1	107.6755	2.165	2	107.6755	2.165	2	107.1142	2.027	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,3|O<2>,4|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6a]C[6])	105.8840	0.000	1	105.8840	0.000	1	105.8840	0.000	1	107.1142	2.027	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<4>,4|C<3>,6|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.5010	0.000	1	107.3987	0.096	3	107.3987	0.096	3	107.1142	2.027	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<4>,4|C<3>,6|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.3475	0.419	2	107.3987	0.096	3	107.3987	0.096	3	107.1142	2.027	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:3:1:	4:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CCHH)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]N[6]O)(H)	H(C[6]C[6,6]N[6]C)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]N[6]O)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]C)	107.2370	0.000	1	107.2370	0.000	1	107.3130	0.012	2	107.1142	2.027	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:3:1:	4:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(CC[5a]HH)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]C[6]C)(H)	H(C[6]C[6,6]N[6]C)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(CC[5a]HH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]N[6]C)	107.3890	0.000	1	107.3890	0.000	1	107.3130	0.012	2	107.1142	2.027	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:3:2:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]N[6]O)(CN)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]N[6]O)(CN){2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.3300	0.000	1	107.3300	0.000	1	107.3300	0.000	1	106.8185	0.523	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:3:2:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-3:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(O[6]C[6])	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6]2O[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,7|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(O[6]C[6]){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.3070	0.000	1	106.3070	0.000	1	106.3070	0.000	1	106.8185	0.523	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]2)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]C[6]H)(C[6]O[6]O)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[5,6]C[6]2)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,2|O<2>,3|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]C[6]H)(C[6]O[6]O)2{1|C<4>,1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.0150	0.000	1	106.0150	0.000	1	106.0150	0.000	1	105.9282	0.492	14	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6,6](C[6]C[6a]C[6]H)2(C[6]C[6]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|O<2>,5|H<1>,6|C<3>}	C[6,6](C[6]C[6a]C[6]H)2(C[6]C[6]H)2{1|S<4>,4|C<4>,6|C<3>}	H(C[6]C[6,6]C[6a]C[6])	104.3200	0.000	1	104.3200	0.000	1	105.9215	0.533	13	105.9282	0.492	14	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(C[6]C[6]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|C<4>,2|O<2>,4|H<1>,5|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]C[6])	104.8490	0.000	1	104.8490	0.000	1	105.9215	0.533	13	105.9282	0.492	14	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]N[6]O)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,2|N<3>,2|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]N[6]O)2{1|C<4>,3|H<1>,6|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.3250	0.000	1	106.3250	0.000	1	105.9215	0.533	13	105.9282	0.492	14	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(C[6]C[6]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|H<1>,7|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.7590	0.000	1	106.7590	0.000	1	105.9215	0.533	13	105.9282	0.492	14	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](C[6]C[6a]C[6]H)2(C[6]C[6]O)(C[6]O[6]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>,3|O<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)2(C[6]C[6]O)(C[6]O[6]O){5|H<1>,6|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.1285	0.151	2	106.1285	0.023	2	105.9215	0.533	13	105.9282	0.492	14	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](C[6]C[6a]C[6]H)2(C[6]N[6]O)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|N<3>,3|C<3>,3|H<1>,3|O<1>}	C[6,6](C[6]C[6a]C[6]H)2(C[6]N[6]O)2{2|C<4>,4|H<1>,6|C<3>}	H(C[6]C[6,6]C[6a]C[6])	105.7442	0.293	4	105.7442	0.086	4	105.9215	0.533	13	105.9282	0.492	14	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](C[6]C[6a]C[6]H)2(C[6]O[6]O)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|O<1>,2|O<2>,4|C<3>,4|H<1>}	C[6,6](C[6]C[6a]C[6]H)2(C[6]O[6]O)2{1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.2150	0.000	1	106.2150	0.000	1	105.9215	0.533	13	105.9282	0.492	14	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|S<4>,5|C<3>,5|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.6390	0.455	2	106.6390	0.207	2	105.9215	0.533	13	105.9282	0.492	14	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CHHS)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3)(H){1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CHHS){1|C<3>,1|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]C)	107.7250	0.000	1	107.7250	0.000	1	107.7250	0.000	1	107.7250	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(CH3)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6,6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(CH3)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6,6]C)	107.5750	0.000	1	107.5750	0.000	1	107.5750	0.000	1	107.0397	3.781	76	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5a,6]-3:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[5a,6]C[5a,6]C[5a])(CH3)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H)	H(C[6]C[5a,6]C[6,6]C)	C[6](C[6,6]C[5,6,6]C[6]H)(C[5a,6]C[5a,6]C[5a])(CH3)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6,6]C)	107.7353	0.190	3	107.7353	0.036	3	107.7353	0.036	3	107.0397	3.781	76	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	106.5740	0.000	1	106.5740	0.000	1	106.5740	0.000	1	107.0397	3.781	76	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]C)(CH3)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]C)(CH3)(H){3|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	107.0380	0.000	1	107.0380	0.000	1	105.9743	0.117	24	107.0397	3.781	76	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]O)(CH3)(H)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]O)(CH3)(H){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]C)	105.8928	0.261	16	105.8928	0.068	16	105.9743	0.117	24	107.0397	3.781	76	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<2>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	106.1240	0.000	1	106.1240	0.000	1	105.9743	0.117	24	107.0397	3.781	76	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(H)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]C)	106.1300	0.279	2	105.9895	0.081	6	105.9743	0.117	24	107.0397	3.781	76	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(H)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|H<1>,4|O<2>}	H(C[6]C[6,6]C[6]C)	105.7980	0.000	1	105.9895	0.081	6	105.9743	0.117	24	107.0397	3.781	76	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(H)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]C)	105.9597	0.353	3	105.9895	0.081	6	105.9743	0.117	24	107.0397	3.781	76	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(CH3)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(CH3)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]CH)(H){1|H<1>,1|N<2>,3|C<3>,3|C<4>,3|O<1>}	H(C[6]C[6,6]C[6]C)	103.5520	0.000	1	103.5520	0.000	1	103.5520	0.000	1	107.0397	3.781	76	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]N[6]O)(CCHH)(H)	C[6,6](C[5,6]C[5a,6]S[5]2)(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]N[6]O)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>,2|S<2>}	C[6,6](C[5,6]C[5a,6]S[5]2)(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|N<3>}	H(C[6]C[6,6]C[6]C)	106.1300	0.000	1	106.1300	0.000	1	106.1300	0.000	1	107.0397	3.781	76	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(CCHH)(H)	C[6,6](C[6,6]C[5,6,6]CH)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6,6]CH)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]C)	108.1350	0.000	1	108.1350	0.000	1	107.1981	1.412	19	107.0397	3.781	76	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(H){1|Si<4>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	105.4980	0.471	2	105.4980	0.222	2	107.1981	1.412	19	107.0397	3.781	76	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	108.8340	0.042	2	108.8340	0.002	2	107.1981	1.412	19	107.0397	3.781	76	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H){2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]C)	105.8180	0.000	1	105.8180	0.000	1	107.1981	1.412	19	107.0397	3.781	76	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H){1|C<3>,1|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]C)	108.7160	0.000	1	108.7160	0.000	1	107.1981	1.412	19	107.0397	3.781	76	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	108.6610	0.000	1	108.6610	0.000	1	107.1981	1.412	19	107.0397	3.781	76	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[3,6]HH)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[3,6]HH)(C[6]C[6]CH)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	106.8727	0.116	3	106.8727	0.013	3	107.1981	1.412	19	107.0397	3.781	76	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]C)	107.0175	0.651	2	107.0175	0.424	2	107.1981	1.412	19	107.0397	3.781	76	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	108.4420	0.000	1	108.4420	0.000	1	107.1981	1.412	19	107.0397	3.781	76	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]O[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]O[6]CH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]C)	107.8960	0.000	1	107.8960	0.000	1	107.1981	1.412	19	107.0397	3.781	76	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	105.8830	0.018	2	105.8830	0.000	2	107.1981	1.412	19	107.0397	3.781	76	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	106.5460	0.000	1	106.5460	0.000	1	107.1981	1.412	19	107.0397	3.781	76	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6])(CH3)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6])(CH3)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]C)	107.4660	0.000	1	107.4660	0.000	1	107.1981	1.412	19	107.0397	3.781	76	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:N-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NCCH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NCCH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HH)(C[6]C[6]HN)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	H(C[6]C[6,6]C[6]N)	113.9540	0.000	3	113.9540	0.000	3	110.3376	24.538	5	107.0397	3.781	76	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:N-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NCCH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HO)(C[6]C[6]HN)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NCCH)(H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HO)(C[6]C[6]HN)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	H(C[6]C[6,6]C[6]N)	104.9130	0.252	2	104.9130	0.063	2	110.3376	24.538	5	107.0397	3.781	76	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:S-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(SC[6a]OO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HS)(H)	H(C[6]C[6,6]C[6]S)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(SC[6a]OO)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HS)(H){1|C<4>,1|N<3>,2|O<1>,4|H<1>}	H(C[6]C[6,6]C[6]S)	107.5740	0.000	1	107.5740	0.000	1	107.5740	0.000	1	107.0397	3.781	76	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6,6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]2H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(H){2|C<4>,2|N<3>,4|C<3>,5|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.4897	0.284	3	107.4897	0.080	3	107.4897	0.080	3	107.0397	3.781	76	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.9780	0.000	1	107.9780	0.000	1	107.3727	0.787	3	107.0397	3.781	76	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|C<3>,8|H<1>}	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.3540	0.000	1	106.3540	0.000	1	107.3727	0.787	3	107.0397	3.781	76	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,7|H<1>}	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.7860	0.000	1	107.7860	0.000	1	107.3727	0.787	3	107.0397	3.781	76	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,7|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.1405	0.029	2	107.1405	0.001	2	107.0422	1.234	4	107.0397	3.781	76	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]N[6,6]HH)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]N[6,6]HH)(H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6a]C[6])	108.2970	0.000	1	108.2970	0.000	1	107.0422	1.234	4	107.0397	3.781	76	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6,6]C[6a]C[6])	105.5910	0.000	1	105.5910	0.000	1	107.0422	1.234	4	107.0397	3.781	76	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6,6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(C[6,6]O[6]2H)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|O<2>,4|C<3>,5|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(C[6,6]O[6]2H)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.1160	0.000	1	108.1160	0.000	1	108.1160	0.000	1	107.0397	3.781	76	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:N[5a]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]HS)(C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]N[5a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H){1|O<1>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HS)(C[6]N[5a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	H(C[6]C[6,6]N[5a]C[6])	113.8640	0.000	1	113.8640	0.000	1	113.8640	0.000	1	107.0397	3.781	76	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(CHHO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]CH)(C[6]O[6]HO)(H)	H(C[6]C[6,6]N[6,6]C)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(CHHO)(H){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]CH)(C[6]O[6]HO)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]N[6,6]C)	105.7225	0.220	2	105.7225	0.048	2	105.7225	0.048	2	107.0397	3.781	76	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CH3)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]C)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CH3)(H){1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]N[6]HH)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]C)	106.5220	0.000	1	106.6450	0.561	3	107.0645	0.459	6	107.0397	3.781	76	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CH3)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]C)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CH3)(H){1|C<4>,1|N<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]N[6]HH)(H){1|H<1>,5|C<4>}	H(C[6]C[6,6]N[6]C)	106.7065	1.049	2	106.6450	0.561	3	107.0645	0.459	6	107.0397	3.781	76	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCHH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]N[6]CH)(H)	H(C[6]C[6,6]N[6]C)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]N[6]CH)(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]N[6]C)	107.7540	0.000	1	107.7540	0.000	1	107.0645	0.459	6	107.0397	3.781	76	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCHH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]N[6]CH)(C[6]O[6]CH)(H)	H(C[6]C[6,6]N[6]C)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCHH)(H){2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]N[6]CH)(C[6]O[6]CH)(H){1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]C)	107.3490	0.076	2	107.3490	0.006	2	107.0645	0.459	6	107.0397	3.781	76	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]N)(C[6]O[6]O)(CH3)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(NN)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]N)(C[6]O[6]O)(CH3)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(NN){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	105.4490	0.000	1	105.4490	0.000	1	105.4490	0.000	1	106.4558	4.267	5	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(CCCH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(CCCH)(H){2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(OH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	105.0570	0.402	2	105.0570	0.161	2	106.7075	5.267	4	106.4558	4.267	5	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(CH3)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(CH3)(H){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]C)	106.8180	0.000	1	106.8180	0.000	1	106.7075	5.267	4	106.4558	4.267	5	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]O)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]O)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[6]C[6,6]C[6]C)	109.8980	0.000	1	109.8980	0.000	1	106.7075	5.267	4	106.4558	4.267	5	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6,6a]-3:C-4:H-1:	C[6]-4:C[6]-4:C[6,6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(CBrHH)(H)	C[6,6](C[6]C[6,6a]CH)(C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6a]C[6a]2)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(CBrHH)(H){2|C<4>,4|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]CH)(C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6a]C[6a]2){6|C<3>,6|H<1>}	H(C[6]C[6,6a]C[6,6]C)	106.0640	0.000	1	106.0640	0.000	1	106.0640	0.000	1	108.2404	1.195	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-3:N[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]CuC)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO)	H(C[6]C[6,6]C[6]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]CuC)(H){1|C<4>,1|N<4>,1|O<2>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO){1|Cu<5>,1|N<3>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]N[6])	108.9005	0.240	2	108.9005	0.057	2	108.6082	0.160	22	108.2404	1.195	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-3:N[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]CuC)(H)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO)	H(C[6]C[6,6]C[6]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]CuC)(H){1|C<4>,1|N<4>,2|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO){1|Cu<5>,1|N<3>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]N[6])	108.7720	0.261	4	108.5899	0.088	8	108.6082	0.160	22	108.2404	1.195	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-3:N[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]CuC)(H)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO)	H(C[6]C[6,6]C[6]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]CuC)(H){1|C<4>,1|N<4>,2|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO){1|Cu<6>,1|N<3>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]N[6])	108.4077	0.219	4	108.5899	0.088	8	108.6082	0.160	22	108.2404	1.195	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-3:N[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]FeC)(H)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO)	H(C[6]C[6,6]C[6]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]FeC)(H){1|C<4>,1|N<4>,2|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO){1|Fe<6>,1|N<3>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]N[6])	108.9035	0.217	2	108.9035	0.047	2	108.6082	0.160	22	108.2404	1.195	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-3:N[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]MnC)(H)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO)	H(C[6]C[6,6]C[6]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]MnC)(H){1|C<4>,1|N<4>,2|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO){1|Mn<7>,1|N<3>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]N[6])	107.8340	0.127	2	107.8340	0.016	2	108.6082	0.160	22	108.2404	1.195	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-3:N[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]NiC)(H)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO)	H(C[6]C[6,6]C[6]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]NiC)(H){1|C<4>,1|N<4>,2|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO){1|Ni<6>,1|N<3>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]N[6])	108.7015	0.520	4	108.7252	0.163	6	108.6082	0.160	22	108.2404	1.195	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-3:N[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]NiC)(H)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO)	H(C[6]C[6,6]C[6]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]NiC)(H){1|C<4>,1|N<4>,2|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO){1|Ni<7>,1|N<3>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]N[6])	108.7725	0.005	2	108.7252	0.163	6	108.6082	0.160	22	108.2404	1.195	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-3:N[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]ZnC)(H)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO)	H(C[6]C[6,6]C[6]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]ZnC)(H){1|C<4>,1|N<4>,2|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO){1|Zn<6>,1|N<3>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]N[6])	108.5170	0.400	2	108.5170	0.160	2	108.6082	0.160	22	108.2404	1.195	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(NOO)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]N)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(NOO){5|H<1>,7|C<3>}	H(C[6]C[6,6]C[6a]C[6])	105.5390	0.000	1	105.5390	0.000	1	105.2835	0.131	2	108.2404	1.195	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]O[6]HH)(NOO)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]N)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]O[6]HH)(NOO){4|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	105.0280	0.000	1	105.0280	0.000	1	105.2835	0.131	2	108.2404	1.195	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]O[6]O)(CHHO)(H)	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6]C[6,6]HH)(C[6]C[6]CH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]O[6]O)(CHHO)(H){3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6]C[6,6]HH)(C[6]C[6]CH)(CH3){1|O<1>,2|H<1>,3|C<4>,3|O<2>}	H(C[6]C[6,6]C[6]C)	103.1690	0.000	1	103.1690	0.000	1	103.1690	0.000	1	106.4246	1.661	39	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	110.1110	0.000	1	106.5422	1.716	10	106.5192	1.437	36	106.4246	1.661	39	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	106.1457	0.402	9	106.5422	1.716	10	106.5192	1.437	36	106.4246	1.661	39	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]C)	106.8180	1.721	3	106.4447	2.153	15	106.5192	1.437	36	106.4246	1.661	39	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	106.0860	0.000	1	106.4447	2.153	15	106.5192	1.437	36	106.4246	1.661	39	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	106.4225	0.013	2	106.4447	2.153	15	106.5192	1.437	36	106.4246	1.661	39	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]C)	105.7000	0.240	2	106.4447	2.153	15	106.5192	1.437	36	106.4246	1.661	39	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	107.5657	2.894	3	106.4447	2.153	15	106.5192	1.437	36	106.4246	1.661	39	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	105.7970	0.319	4	106.4447	2.153	15	106.5192	1.437	36	106.4246	1.661	39	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	105.8305	0.151	2	105.8305	0.023	2	106.5192	1.437	36	106.4246	1.661	39	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]O[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]O[6]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]C)	106.1120	0.000	1	106.1120	0.000	1	106.5192	1.437	36	106.4246	1.661	39	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6]HH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	106.6300	0.000	1	106.6300	0.000	1	106.5192	1.437	36	106.4246	1.661	39	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6a]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6a]HH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	107.1850	0.000	1	106.8826	0.343	5	106.5192	1.437	36	106.4246	1.661	39	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6a]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6a]HH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	106.8070	0.647	4	106.8826	0.343	5	106.5192	1.437	36	106.4246	1.661	39	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N)(CHHN)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N)(CHHN)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|N<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	106.1250	0.000	1	106.1250	0.000	1	106.5192	1.437	36	106.4246	1.661	39	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CC[6a]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CC[6a]HH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	107.6570	0.000	1	107.6570	0.000	1	106.5192	1.437	36	106.4246	1.661	39	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2O)(C[6]N[6]HH)(CH3)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<4>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2O)(C[6]N[6]HH)(CH3){2|C<4>,3|C<3>,7|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.3200	0.000	1	107.3200	0.000	1	107.3200	0.000	1	106.4246	1.661	39	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(N[6]C[6]C)(CCHH)(H)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]N[6]CH)	H(C[6]C[6,6]N[6]C)	C[6](C[6,6]C[6]3)(N[6]C[6]C)(CCHH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]N[6]CH){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]C)	105.3790	0.000	1	105.3790	0.000	1	105.3790	0.000	1	106.4246	1.661	39	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	2:2:4:3:	4:	C[6]-4:C[6,6]-4:H-1:H-1:	O[6]-2:O[6]-2:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]2)(H)2	C[6,6](O[6]C[6,6a])2(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]2)(H)2{1|H<1>,6|C<3>}	C[6,6](O[6]C[6,6a])2(C[6]C[6]HH)(C[6]C[6]H){2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	109.5955	0.043	2	109.5955	0.002	2	109.5955	0.002	2	109.5955	0.002	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	2:2:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	O[6]-2:O[6]-2:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]CC)(H)2	C[6,6](O[6]C[6,6a])2(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](O[6]C[6,6a])2(C[6]C[6]HH)2{4|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.2485	0.890	23	108.2485	0.793	23	108.3764	0.828	26	108.6297	0.856	34	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	2:2:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	O[6]-2:O[6]-2:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]HH)(H)2	C[6,6](O[6]C[6,6a])2(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](O[6]C[6,6a])2(C[6]C[6]HH)2{4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3570	0.028	3	109.3570	0.001	3	108.3764	0.828	26	108.6297	0.856	34	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	2:2:4:4:	4:	C[6]-4:C[6,6]-4:H-1:H-1:	O[6]-2:O[6]-2:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]2)(H)2	C[6,6](O[6]C[6,6a])2(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]2)(H)2{1|C<4>,2|H<1>,5|C<3>}	C[6,6](O[6]C[6,6a])2(C[6]C[6]HH)2{2|H<1>,6|C<3>}	H(C[6]C[6,6]C[6]H)	109.4530	0.251	8	109.4530	0.063	8	109.4530	0.063	8	108.6297	0.856	34	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	2:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	O[6,6]-2:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](O[6,6]C[6,6])(C[6]C[5,6]N)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6,6](O[6,6]C[6,6])(C[6]C[5,6]N)(C[6]C[6]HH)(H){1|C<4>,2|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2715	0.008	2	109.2715	0.000	2	107.3443	6.913	4	107.3443	6.913	4	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	2:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	O[6,6]-2:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](O[6,6]C[6,6])(C[6]C[6,6]N)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,2|H<1>}	C[6,6](O[6,6]C[6,6])(C[6]C[6,6]N)(C[6]C[6]HH)(H){3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	105.4170	2.425	2	105.4170	5.882	2	107.3443	6.913	4	107.3443	6.913	4	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	2:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[3,6,6]HH)(H)2	C[6,6](O[6]C[3,6,6])(C[6]C[4x6]O)(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[3,6,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](O[6]C[3,6,6])(C[6]C[4x6]O)(C[6]C[6]HH)2{1|O<2>,2|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	107.7195	1.446	2	107.7195	2.091	2	107.5640	0.732	4	107.5640	0.732	4	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	2:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[3x6]CC)(H)2	C[6,6](O[6]C[3,6,6])(C[6]C[4x6]O)(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[3x6]CC)(H)2{1|O<1>,3|H<1>,4|C<4>}	C[6,6](O[6]C[3,6,6])(C[6]C[4x6]O)(C[6]C[6]HH)2{1|O<2>,2|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	107.4085	0.093	2	107.4085	0.009	2	107.5640	0.732	4	107.5640	0.732	4	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	2:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	O[6,6]-2:C[6]-4:S[6]-2:H-1:	C[6]-4:	C[6](C[6,6]O[6,6]S[6]H)(C[6]S[6]CC)(H)2	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(S[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]O[6,6]S[6]H)(C[6]S[6]CC)(H)2{2|C<4>}	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(S[6]C[6])(H){1|H<1>,1|S<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	110.0520	1.763	4	110.0520	3.108	4	110.0520	3.108	4	110.0520	3.108	4	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	2:4:4:1:	4:	C[6,6]-4:C[6]-4:Br-1:H-1:	O[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(Br)(H)	C[6,6](O[6,6]C[6,6])(C[6]C[6]BrH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]Br)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(Br)(H){2|C<4>,4|H<1>}	C[6,6](O[6,6]C[6,6])(C[6]C[6]BrH)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]Br)	107.2550	0.308	2	107.2550	0.095	2	107.2550	0.095	2	108.4669	0.687	65	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	2:4:4:1:	4:	C[6,6]-4:C[6]-4:Br-1:H-1:	Se[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(Br)(H)	C[6,6](Se[6,6]C[6,6])(C[6]C[6]BrH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]Br)	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(Br)(H){2|C<4>,4|H<1>}	C[6,6](Se[6,6]C[6,6])(C[6]C[6]BrH)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]Br)	107.4168	0.336	5	107.4168	0.113	5	107.4168	0.113	5	108.4669	0.687	65	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	2:4:4:1:	4:	C[6,6]-4:C[6]-4:Cl-1:H-1:	Se[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(Cl)(H)	C[6,6](Se[6,6]C[6,6])(C[6]C[6]ClH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]Cl)	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(Cl)(H){2|C<4>,4|H<1>}	C[6,6](Se[6,6]C[6,6])(C[6]C[6]ClH)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]Cl)	107.5560	0.007	2	107.5560	0.000	2	107.5560	0.000	2	108.4669	0.687	65	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	2:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	O[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]CC)(H)2	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8485	0.015	2	108.9645	0.018	4	109.0241	0.416	36	108.4669	0.687	65	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	2:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	O[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]CC)(H)2	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]CC)(H)2{2|C<4>,2|H<1>,2|O<2>}	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|H<1>,1|N<3>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0805	0.011	2	108.9645	0.018	4	109.0241	0.416	36	108.4669	0.687	65	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	2:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	O[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](O[6,6]C[6,6])(C[6]C[6]BrH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](O[6,6]C[6,6])(C[6]C[6]BrH)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.5023	0.047	3	108.5023	0.002	3	109.0241	0.416	36	108.4669	0.687	65	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	2:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	O[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4845	0.102	4	108.9328	0.090	18	109.0241	0.416	36	108.4669	0.687	65	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	2:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	O[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0609	0.188	14	108.9328	0.090	18	109.0241	0.416	36	108.4669	0.687	65	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	2:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	O[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(H)2{2|C<4>,2|H<1>,2|O<2>}	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.5880	0.093	7	108.5880	0.009	7	109.0241	0.416	36	108.4669	0.687	65	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	2:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	O[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]RuH)(H)2	C[6,6](O[6,6]C[6,6])(C[6]C[6]RuH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]RuH)(H)2{2|C<4>,2|H<1>}	C[6,6](O[6,6]C[6,6])(C[6]C[6]RuH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	110.6488	0.137	4	110.6488	0.019	4	109.0241	0.416	36	108.4669	0.687	65	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	2:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	Se[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](Se[6,6]C[6,6])(C[6]C[6]BrH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|Br<1>,2|C<4>,2|H<1>}	C[6,6](Se[6,6]C[6,6])(C[6]C[6]BrH)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.0566	0.192	9	108.0566	0.037	9	108.0586	0.019	17	108.4669	0.687	65	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	2:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	Se[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](Se[6,6]C[6,6])(C[6]C[6]ClH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|Cl<1>,2|C<4>,2|H<1>}	C[6,6](Se[6,6]C[6,6])(C[6]C[6]ClH)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.0648	0.022	4	108.0648	0.000	4	108.0586	0.019	17	108.4669	0.687	65	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	2:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	Se[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](Se[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HI)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|I<1>}	C[6,6](Se[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HI)(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.0572	0.048	4	108.0572	0.002	4	108.0586	0.019	17	108.4669	0.687	65	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	2:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:I-1:	Se[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)(I)	C[6,6](Se[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HI)(H)	H(C[6]C[6,6]C[6]I)	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)(I){2|C<4>,4|H<1>}	C[6,6](Se[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HI)(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]I)	107.2600	0.175	3	107.2600	0.030	3	107.2600	0.030	3	108.4669	0.687	65	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	2:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	O[6,6]-2:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]CC)(H)2	C[6,6](O[6,6]C[6,6])(C[6]C[6]FF)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]CC)(H)2{2|C<4>,2|F<1>,2|H<1>}	C[6,6](O[6,6]C[6,6])(C[6]C[6]FF)(C[6]C[6]HH)(OH){1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9120	0.000	1	108.9120	0.000	1	108.6815	0.014	15	108.9931	0.556	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	2:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	O[6,6]-2:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](O[6,6]C[6,6])(C[6]C[6]FF)(C[6]C[6]HH)(OC)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|F<1>,2|H<1>}	C[6,6](O[6,6]C[6,6])(C[6]C[6]FF)(C[6]C[6]HH)(OC){1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.5105	0.009	2	108.5105	0.000	2	108.6815	0.014	15	108.9931	0.556	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	2:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	O[6,6]-2:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](O[6,6]C[6,6])(C[6]C[6]FF)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|F<1>,2|H<1>}	C[6,6](O[6,6]C[6,6])(C[6]C[6]FF)(C[6]C[6]HH)(OH){1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.6672	0.074	10	108.6672	0.006	10	108.6815	0.014	15	108.9931	0.556	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	2:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	O[6,6]-2:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8090	0.054	2	108.8090	0.003	2	108.6815	0.014	15	108.9931	0.556	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	2:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	C[6,6](O[6]C[4,5,6])(C[6]C[6]HH)2(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](O[6]C[4,5,6])(C[6]C[6]HH)2(O[6]C[6]){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.7560	1.721	4	109.7560	2.963	4	109.4604	1.057	10	108.9931	0.556	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	2:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	C[6,6](O[6]C[6,6a])(C[6]C[6]HH)2(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](O[6]C[6,6a])(C[6]C[6]HH)2(O[6]C[6]){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2633	0.092	6	109.2633	0.009	6	109.4604	1.057	10	108.9931	0.556	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	2:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]N[6]HH)(H)2	C[6,6](O[6]C[6,6a])(C[6]C[6]HH)2(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](O[6]C[6,6a])(C[6]C[6]HH)2(C[6]C[6]H){1|C<2>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1583	0.022	3	109.1583	0.000	3	109.1583	0.000	3	109.1486	0.070	21	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	2:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6]N[6]O[6])(C[6]C[6]CH)(H)2	C[6,6](O[6]C[6,6a])(C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[6]C)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]N[6]O[6])(C[6]C[6]CH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6,6](O[6]C[6,6a])(C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7300	0.017	2	108.7300	0.000	2	109.1469	0.082	18	109.1486	0.070	21	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	2:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6]N[6]O[6])(C[6]C[6]HH)(H)2	C[6,6](O[6]C[6,6a])(C[6]C[6]HH)2(N[6]C[6]C)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]N[6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[6,6](O[6]C[6,6a])(C[6]C[6]HH)2(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1806	0.299	12	109.1806	0.089	12	109.1469	0.082	18	109.1486	0.070	21	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	2:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6]N[6]O[6])(C[6]C[6]HH)(H)2	C[6,6](O[6]C[6,6a])(C[6]C[6]HH)2(N[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]N[6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	C[6,6](O[6]C[6,6a])(C[6]C[6]HH)2(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2545	0.025	4	109.2545	0.001	4	109.1469	0.082	18	109.1486	0.070	21	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	2:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]HH)(H)2	C[6,6](O[6]C[6,6a])(C[6]C[6]HH)3	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](O[6]C[6,6a])(C[6]C[6]HH)3{1|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3070	0.033	2	109.3070	0.001	2	109.0862	0.031	20	108.8617	0.098	42	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	2:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	C[6,6](O[6]C[6,6a])(C[6]C[6]HH)3	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,6|H<1>}	C[6,6](O[6]C[6,6a])(C[6]C[6]HH)3{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0029	0.140	14	109.0029	0.020	14	109.0862	0.031	20	108.8617	0.098	42	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	2:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6a]O[6]H)(H)2	C[6,6](O[6]C[6,6a])(C[6]C[6]HH)3	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6a]O[6]H)(H)2{2|C<4>,3|C<3>,4|H<1>}	C[6,6](O[6]C[6,6a])(C[6]C[6]HH)3{1|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2700	0.051	2	109.2700	0.003	2	109.0862	0.031	20	108.8617	0.098	42	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	2:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]O[6]HH)(H)2	C[6,6](O[6]C[6,6a])(C[6]C[6]HH)3	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](O[6]C[6,6a])(C[6]C[6]HH)3{1|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2645	0.011	2	109.2645	0.000	2	109.0862	0.031	20	108.8617	0.098	42	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	2:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	S[6]-2:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2S[6])(C[6]C[5a,6]CH)(H)2	C[6,6](S[6]C[5a,6])(C[6]C[6]HH)3	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2S[6])(C[6]C[5a,6]CH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[6,6](S[6]C[5a,6])(C[6]C[6]HH)3{1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.5657	0.021	4	108.5657	0.000	4	108.8152	0.037	14	108.8617	0.098	42	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	2:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	S[6]-2:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2S[6])(C[6]C[6]HH)(H)2	C[6,6](S[6]C[5a,6])(C[6]C[6]HH)3	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2S[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,6|H<1>}	C[6,6](S[6]C[5a,6])(C[6]C[6]HH)3{1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9150	0.120	10	108.9150	0.014	10	108.8152	0.037	14	108.8617	0.098	42	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	2:4:4:4:	4:	C[6]-4:C[6,6]-4:H-1:H-1:	S[6]-2:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]2S[6])(H)2	C[6,6](S[6]C[5a,6])(C[6]C[6]HH)3	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]2S[6])(H)2{1|C<4>,4|H<1>,5|C<3>}	C[6,6](S[6]C[5a,6])(C[6]C[6]HH)3{1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.3816	0.095	8	108.3816	0.009	8	108.3816	0.009	8	108.8617	0.098	42	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:2:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6,6]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6,6]O[6]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[6,6](C[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.6045	0.012	2	109.6045	0.000	2	109.6045	0.000	2	109.2676	0.384	29	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:2:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5a,6]HH)(H)2	C[6,6](C[6,6]C[5a,6]C[6])(O[6]C[6,6a])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5a,6]HH)(H)2{4|C<3>}	C[6,6](C[6,6]C[5a,6]C[6])(O[6]C[6,6a])(C[6]C[6]HH)(H){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7725	0.101	2	108.7725	0.010	2	109.1058	0.606	16	109.2676	0.384	29	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:2:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6a]C[6a]H)(H)2	C[6,6](C[6,6]C[6,6a]N[6])(O[6]C[6,6a])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6a]C[6a]H)(H)2{1|N<2>,5|C<3>}	C[6,6](C[6,6]C[6,6a]N[6])(O[6]C[6,6a])(C[6]C[6]HH)(H){1|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	109.9850	0.011	2	109.9850	0.000	2	109.1058	0.606	16	109.2676	0.384	29	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:2:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(O[6]C[6,6a])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6a]HH)(H)2{4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(O[6]C[6,6a])(C[6]C[6]HH)(H){3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.0850	0.007	2	109.0850	0.000	2	109.1058	0.606	16	109.2676	0.384	29	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:2:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9655	0.005	2	108.9655	0.000	2	109.1058	0.606	16	109.2676	0.384	29	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:2:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	107.4425	0.040	2	108.8450	1.308	6	109.1058	0.606	16	109.2676	0.384	29	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:2:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.9450	0.027	2	108.8450	1.308	6	109.1058	0.606	16	109.2676	0.384	29	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:2:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1475	0.030	2	108.8450	1.308	6	109.1058	0.606	16	109.2676	0.384	29	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:2:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]CH)(H)2	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]CH)(H)2{1|S<4>,3|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.5030	0.013	2	109.5030	0.000	2	109.1058	0.606	16	109.2676	0.384	29	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:2:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:O[6,6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6]C[6]HO)(H)2{1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.0835	0.064	2	109.0835	0.004	2	109.0835	0.004	2	109.2676	0.384	29	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:2:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:O[6,6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[5,6]O[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](N[5,6]C[5,6]C[5])(O[6,6]C[6,6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[5,6]O[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](N[5,6]C[5,6]C[5])(O[6,6]C[6,6])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.5435	0.009	2	109.5435	0.000	2	109.5435	0.000	2	109.2676	0.384	29	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:2:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2747	0.030	3	109.5150	0.062	7	109.5150	0.062	7	109.2676	0.384	29	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:2:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.6953	0.149	4	109.5150	0.062	7	109.5150	0.062	7	109.2676	0.384	29	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:2:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:O[6]-2:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(OH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6760	0.071	2	108.6760	0.005	2	108.6760	0.005	2	108.9958	0.063	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:2:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:O[6]-2:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6a]O[6]2)(C[6]C[6,6a]C[6a]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]O[6]2)(C[6]C[6,6a]C[6a]H)(H)2{7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(O[6]C[6]){2|H<1>,7|C<3>}	H(C[6]C[6,6]C[6]H)	109.1557	0.043	4	109.1557	0.002	4	109.1557	0.002	4	108.9958	0.063	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:2:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:O[6]-2:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]CC)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]CC)(H)2{1|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	H(C[6]C[6,6]C[6]H)	108.3068	0.076	6	108.3068	0.006	6	107.9466	0.719	8	107.9466	0.719	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:2:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:O[6]-2:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]HH)(H)2{1|O<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	106.8660	1.376	2	106.8660	1.893	2	107.9466	0.719	8	107.9466	0.719	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:2:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:O[6]-2:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[5a,6]C[5a,6]S[5a])(O[6]C[6,6a])(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]S[5a])(O[6]C[6,6a])(C[6]C[6]HH)2{1|C<4>,1|N<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.4237	2.058	4	108.4237	4.234	4	108.4237	4.234	4	108.8621	1.263	12	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:2:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:O[6]-2:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0500	0.006	2	109.0500	0.000	2	109.0500	0.000	2	108.8621	1.263	12	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:2:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:O[6]-2:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(C[6]C[6]HH)2{2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0865	0.104	4	109.0865	0.011	4	109.0865	0.011	4	108.8621	1.263	12	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:2:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:S[6]-2:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]S[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(S[6]C[6,6a])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]S[6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(S[6]C[6,6a])(C[6]C[6]HH)(CH3){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1020	0.016	2	109.1020	0.000	2	109.1020	0.000	2	108.8621	1.263	12	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:2:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6a]-3:O[6]-2:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]N[6]2)(C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6,6](C[6,6]N[6]2)(C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH){2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.8225	0.030	2	109.8225	0.001	2	109.8225	0.001	2	109.8225	0.001	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5a,6]-3:N[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]N[5a,6]N[6])(C[6]S[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]N[5a,6]N[6])(C[6]S[6]HH)(H)2{1|H<1>,1|N<2>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(C[6]C[6]HH){1|S<2>,3|H<1>,6|C<3>}	H(C[6]C[6,6]C[6]H)	109.0680	0.011	2	109.0680	0.000	2	109.0680	0.000	2	109.0680	0.000	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]H)(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]H)(C[6]C[5,6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6,6]H)	110.9735	1.593	2	110.9735	2.538	2	110.9735	2.538	2	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>,5|C<4>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6,6]HH)(H){2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]2H)	109.5505	0.154	4	109.5037	0.020	6	109.5037	0.020	6	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6,6]HH)(H){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]2H)	109.4100	0.049	2	109.5037	0.020	6	109.5037	0.020	6	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6a]C[6]H)(H)2	C[6,6](C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|N<2>,5|C<3>}	C[6,6](C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	110.1775	0.059	2	110.1775	0.003	2	110.1775	0.003	2	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.7045	0.095	2	109.7045	0.009	2	109.7045	0.009	2	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3252	0.348	4	109.3453	0.075	6	109.1621	0.770	41	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[5,6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3855	0.087	2	109.3453	0.075	6	109.1621	0.770	41	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[5]C[6]H)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[5]C[6]H)(H)2{1|H<1>,1|N<3>,2|C<4>,2|S<2>,3|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.3235	1.009	2	108.3235	1.018	2	109.1621	0.770	41	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	107.5805	1.738	4	107.5805	3.022	4	109.1621	0.770	41	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0870	0.011	4	109.2677	0.449	15	109.1621	0.770	41	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.8885	0.035	2	109.2677	0.449	15	109.1621	0.770	41	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4865	0.052	2	109.2677	0.449	15	109.1621	0.770	41	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.3700	0.263	3	109.2677	0.449	15	109.1621	0.770	41	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0175	0.057	2	109.2677	0.449	15	109.1621	0.770	41	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,5|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	110.3865	0.303	2	109.2677	0.449	15	109.1621	0.770	41	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.6110	0.075	4	109.6110	0.006	4	109.1621	0.770	41	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4608	0.176	6	109.5145	0.024	10	109.1621	0.770	41	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.5950	0.079	4	109.5145	0.024	10	109.1621	0.770	41	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]SS)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]SS)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(H){2|S<4>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.5820	0.160	6	108.5820	0.025	6	108.5820	0.025	6	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6a]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2840	0.044	4	109.2840	0.002	4	109.3833	0.025	6	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[5,6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<4>,2|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5820	0.010	2	109.5820	0.000	2	109.3833	0.025	6	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6,6a]C[6,6a]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6,6a]C[6,6a]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	108.9342	0.166	5	108.9342	0.028	5	108.9342	0.028	5	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{2|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1510	0.004	2	109.1510	0.000	2	109.6238	0.251	6	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]OO)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]OO)(H)2{1|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,3|O<2>}	H(C[6]C[6,6]C[6]H)	109.4780	0.007	2	109.4780	0.000	2	109.6238	0.251	6	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]HH)(H)2{1|S<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	110.2425	0.013	2	110.2425	0.000	2	109.6238	0.251	6	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[5,6]C[6a]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[5,6]C[6a]H)(H)2{3|C<4>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8695	1.289	2	108.8695	1.662	2	109.4802	0.653	10	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0790	0.046	4	109.2973	0.116	6	109.4802	0.653	10	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.7340	0.027	2	109.2973	0.116	6	109.4802	0.653	10	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]O[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]O[6]HH)(H)2{1|C<4>,1|S<3>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	110.6395	0.074	2	110.6395	0.006	2	109.4802	0.653	10	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[5a,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6]C[5a,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3485	0.008	2	109.3485	0.000	2	109.4245	0.011	6	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6]N[6,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6,6](C[6]N[6,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3730	0.008	2	109.4625	0.012	4	109.4245	0.011	6	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6]N[6,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6,6](C[6]N[6,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5520	0.057	2	109.4625	0.012	4	109.4245	0.011	6	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[5,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]N)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[5,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]N)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2915	0.018	2	109.2915	0.000	2	109.2915	0.000	2	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a,6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6,6]N[5a,6]H)(C[6]C[6]HH)(H)2	C[6,6](N[5a,6]N[5a,6]C[5a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6,6]N[5a,6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6](N[5a,6]N[5a,6]C[5a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	110.0925	0.059	2	110.0925	0.003	2	110.0925	0.003	2	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.6960	0.035	2	109.6960	0.001	2	109.6960	0.001	2	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](N[5a,6]C[5a,6]N[5a])(N[6,6]C[6]N[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6,6](N[5a,6]C[5a,6]N[5a])(N[6,6]C[6]N[6])(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8415	0.005	2	108.8415	0.000	2	108.8415	0.000	2	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[5,6]N)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[5,6]N)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0510	0.016	2	109.0510	0.000	2	109.2195	0.038	4	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6,6]N)(C[6]C[5,6]N)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6,6](N[6,6]C[6,6]N)(C[6]C[5,6]N)(C[6]C[6]HH)(H){1|C<4>,2|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3880	0.013	2	109.3880	0.000	2	109.2195	0.038	4	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:N[3x6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[3x6]N[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](N[6,6]C[6,6]C[6])(N[3x6]C[3x6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[3x6]N[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,5|C<4>}	C[6,6](N[6,6]C[6,6]C[6])(N[3x6]C[3x6]2)(C[6]C[6]HH)(H){1|N<3>,5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.5250	0.149	3	109.5250	0.022	3	109.5250	0.022	3	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:N[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[5,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6,6]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[5,6]N[6,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](N[6,6]C[6,6]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.5945	0.006	2	109.5945	0.000	2	109.5945	0.000	2	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[3x6]C[5,6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](N[6,6]C[3x6]C[5,6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.6060	0.017	2	109.6060	0.000	2	109.4896	0.027	25	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.5323	0.042	8	109.5263	0.006	12	109.4896	0.027	25	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.6240	0.017	2	109.5263	0.006	12	109.4896	0.027	25	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]2H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	109.4045	0.015	2	109.5263	0.006	12	109.4896	0.027	25	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6,6]C[6])2(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]2H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	C[6,6](N[6,6]C[6,6]C[6])2(C[6]C[6]HH)(H){1|N<3>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.3742	0.098	6	109.3742	0.010	6	109.4896	0.027	25	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6,6]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]2H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](N[6,6]C[6,6]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<2>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2800	0.182	3	109.2800	0.033	3	109.4896	0.027	25	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]2H)(C[6]C[6a]C[6]H)(H)2	C[6,6](N[6,6]C[6,6,6a]C[6])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]2H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6,6](N[6,6]C[6,6,6a]C[6])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	H(C[6]C[6,6]C[6]H)	109.8135	0.054	2	109.8135	0.003	2	109.4896	0.027	25	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[5,6]C[6a]H)(H)2	C[6,6](N[6,6]C[5,6]C[6])(N[6]C[6,6a]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[5,6]C[6a]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6,6](N[6,6]C[5,6]C[6])(N[6]C[6,6a]H)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	109.1465	0.050	2	109.1465	0.003	2	109.1465	0.003	2	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.7480	0.006	2	109.7480	0.000	2	109.7480	0.000	2	109.3583	0.426	138	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O)(C[6]C[6]HH)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O)(C[6]C[6]HH)(COO){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3175	0.012	2	109.3175	0.000	2	109.3175	0.000	2	108.9927	0.152	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]N[5,6]O)(C[6]C[6]HH)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<1>}	C[6,6](C[6,6]C[6]2)(C[6]N[5,6]O)(C[6]C[6]HH)(COO){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1605	0.011	2	109.1605	0.000	2	108.8303	0.147	4	108.9927	0.152	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]C[6])(C[6]C[6]HH)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]C[6])(C[6]C[6]HH)(COO){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.5000	0.072	2	108.5000	0.005	2	108.8303	0.147	4	108.9927	0.152	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]2C[6])(C[6]C[6]HH)(H)2	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)2{1|N<3>,2|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.3865	0.013	2	108.3865	0.000	2	108.3865	0.000	2	108.7490	0.119	95	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	107.8930	0.972	2	107.8930	0.944	2	108.0920	0.368	4	108.7490	0.119	95	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]N[6]HH)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.2910	0.040	2	108.2910	0.002	2	108.0920	0.368	4	108.7490	0.119	95	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,2|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]HH)(CCHH){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.3630	0.008	2	108.4958	0.069	8	108.5205	0.074	15	108.7490	0.119	95	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]HH)(CCHH){1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.5400	0.295	6	108.4958	0.069	8	108.5205	0.074	15	108.7490	0.119	95	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,2|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]HH)(CH3){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.2803	0.031	3	108.2803	0.001	3	108.5205	0.074	15	108.7490	0.119	95	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]O)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,2|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]O)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.5470	0.031	2	108.5470	0.001	2	108.5205	0.074	15	108.7490	0.119	95	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6a]C[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6a]C[6])(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9530	0.052	2	108.9530	0.003	2	108.5205	0.074	15	108.7490	0.119	95	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]O)(C[6]C[6]HH)(C[6]N[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6,6a]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]O)(C[6]C[6]HH)(C[6]N[6]HH){2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.0080	0.000	1	109.0080	0.000	1	109.0080	0.000	1	108.7490	0.119	95	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]H)(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]H)(C[6]C[6]HH)2{1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9730	0.046	4	108.9730	0.002	4	108.9730	0.002	4	108.7490	0.119	95	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6a]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6a]C)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	108.7760	0.035	2	108.7760	0.001	2	108.7760	0.001	2	108.7490	0.119	95	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.2915	0.028	2	109.3024	0.001	5	109.3024	0.001	5	108.7490	0.119	95	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.3097	0.030	3	109.3024	0.001	5	109.3024	0.001	5	108.7490	0.119	95	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]HH)(H)2{5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8255	0.026	2	108.8255	0.001	2	108.6224	0.083	10	108.7490	0.119	95	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7963	0.150	4	108.5716	0.092	8	108.6224	0.083	10	108.7490	0.119	95	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){2|H<1>,2|O<2>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.3470	0.240	4	108.5716	0.092	8	108.6224	0.083	10	108.7490	0.119	95	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]N[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]N[6])(C[6]C[6,6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8804	0.396	8	108.8804	0.157	8	108.8804	0.157	8	108.7490	0.119	95	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]2H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]2H)(C[6]C[6]HH){1|O<2>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1055	0.022	2	109.1055	0.000	2	109.1055	0.000	2	108.7490	0.119	95	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:4:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]CoC)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]CoC)(H)2{1|C<4>,1|N<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2{1|Co<5>,2|H<1>,3|C<3>,4|C<4>}	H(C[6]C[6,6]N[6]H)	108.8521	0.181	13	108.7858	0.038	19	108.8040	0.047	42	108.7490	0.119	95	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:4:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]CoC)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]CoC)(H)2{1|C<4>,1|N<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2{1|Co<6>,2|H<1>,3|C<3>,4|C<4>}	H(C[6]C[6,6]N[6]H)	108.6422	0.144	6	108.7858	0.038	19	108.8040	0.047	42	108.7490	0.119	95	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:4:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]CuC)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]CuC)(H)2{1|C<4>,1|N<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2{1|Cu<5>,2|H<1>,3|C<3>,4|C<4>}	H(C[6]C[6,6]N[6]H)	108.8543	0.189	16	108.8543	0.036	16	108.8040	0.047	42	108.7490	0.119	95	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:3:4:4:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]ZnC)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]ZnC)(H)2{1|C<4>,1|N<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2{1|Zn<5>,2|H<1>,3|C<3>,4|C<4>}	H(C[6]C[6,6]N[6]H)	108.7386	0.330	7	108.7386	0.109	7	108.8040	0.047	42	108.7490	0.119	95	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:2:1:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6,6]-2:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]O[6,6]H)(C[6,6]C[6,6]O[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(O[6,6]C[4x6])(H)	H(C[6]C[3x6]C[6,6]H)	C[6](C[3x6]C[4x6]O[6,6]H)(C[6,6]C[6,6]O[6,6]H)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(O[6,6]C[4x6])(H){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[3x6]C[6,6]H)	109.0835	0.016	2	109.0835	0.000	2	109.0835	0.000	2	109.1406	0.735	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O[6,6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]O[6,6]H)(C[3x6]C[4x6]O[6,6]O)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(O[6,6]C[4x6])(H)	H(C[6]C[3x6]C[6,6]H)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[3x6]C[4x6]O[6,6]O)(H)2{1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(O[6,6]C[4x6])(H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	H(C[6]C[3x6]C[6,6]H)	108.8868	0.060	4	108.8868	0.004	4	108.8868	0.004	4	109.1406	0.735	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6,6a]O[6]H)(C[5,6]C[5]O[5]O[6])(H)2	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[5,6]HH)(O[6]C[6])(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6,6a]O[6]H)(C[5,6]C[5]O[5]O[6])(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[5,6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|O<2>,3|C<3>}	H(C[6]C[5,6]C[6,6]H)	109.8828	0.159	4	109.8828	0.025	4	109.8742	0.029	6	109.1406	0.735	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6,6a]O[6]H)(C[5,6]C[5]O[5]O[6])(H)2	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[5,6]HH)(O[6]C[6])(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6,6a]O[6]H)(C[5,6]C[5]O[5]O[6])(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[5,6]HH)(O[6]C[6])(H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6,6]H)	109.8570	0.264	2	109.8570	0.070	2	109.8742	0.029	6	109.1406	0.735	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]2)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]HH)(O[6]C[6])(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]2)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]HH)(O[6]C[6])(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.5340	0.008	2	109.5340	0.000	2	109.5340	0.000	2	109.1406	0.735	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]CC)(H)2	C[6,6](C[6,6]C[5,6,6]N[6])(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]CC)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6,6](C[6,6]C[5,6,6]N[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.6005	0.769	2	108.6005	0.591	2	109.2567	0.150	41	109.1406	0.735	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2042	0.185	6	109.0863	0.081	12	109.2567	0.150	41	109.1406	0.735	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8010	0.679	2	109.0863	0.081	12	109.2567	0.150	41	109.1406	0.735	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H){4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0520	0.050	4	109.0863	0.081	12	109.2567	0.150	41	109.1406	0.735	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.4093	0.466	6	109.3173	0.114	22	109.2567	0.150	41	109.1406	0.735	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.2188	0.141	4	109.3173	0.114	22	109.2567	0.150	41	109.1406	0.735	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3042	0.324	12	109.3173	0.114	22	109.2567	0.150	41	109.1406	0.735	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.6170	0.000	2	109.6170	0.000	2	109.2567	0.150	41	109.1406	0.735	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.6010	0.000	1	109.6010	0.000	1	109.2567	0.150	41	109.1406	0.735	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.7360	0.004	2	109.7360	0.000	2	109.2567	0.150	41	109.1406	0.735	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)(N[6]C[6,6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)(N[6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3642	0.132	4	109.3642	0.018	4	109.3642	0.018	4	109.1406	0.735	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[5,6,6]O)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6,6](N[6,6]C[5,6,6]O)(C[6]C[6]HH)(O[6]C[6])(H){3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3550	0.006	2	109.3550	0.000	2	108.0618	3.498	9	109.1406	0.735	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]N[6])(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6,6](N[6,6]C[6]N[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<2>,1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	107.1516	2.154	5	107.1516	4.641	5	108.0618	3.498	9	109.1406	0.735	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6a]C[6]H)(H)2	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6a]C[6]H)(H)2{1|H<1>,6|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.0440	0.016	2	109.0440	0.000	2	108.0618	3.498	9	109.1406	0.735	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:2:2:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6,6]C[6,6]O[6]O)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]HH)(O[6]C[6,6a])(OH)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]O[6]C)(C[6,6]C[6,6]O[6]O)(H)2{1|N<2>,4|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]HH)(O[6]C[6,6a])(OH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6]2H)	109.0425	0.009	2	109.0425	0.000	2	109.0425	0.000	2	109.3341	0.130	12	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6,6])(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[5,6]HH)(H)2{1|C<3>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6,6])(OH){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.7840	0.079	2	108.7840	0.006	2	109.1055	0.140	4	109.3341	0.130	12	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6,6]CH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]O[6])(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]O[6])(OH){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.4270	0.017	2	109.4270	0.000	2	109.1055	0.140	4	109.3341	0.130	12	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:S[6]-2:S[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6a]S[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(S[6]C[6])2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]S[6]2)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(S[6]C[6])2{2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.2920	0.007	2	109.2920	0.000	2	109.2920	0.000	2	109.3341	0.130	12	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2	C[6,6](C[6]C[5,6]O)(C[6]C[6]HH)(O[6]C[6,6])(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[6]C[5,6]O)(C[6]C[6]HH)(O[6]C[6,6])(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.7295	0.042	4	109.7295	0.002	4	109.7295	0.002	4	109.3341	0.130	12	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:2:3:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O[6]-2:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]O[6])2(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6a]C[6]O[6])2(H)2{2|H<1>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	H(C[6]C[6,6]2H)	108.7020	0.016	2	108.7025	0.000	4	108.7025	0.000	4	108.1315	4.937	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:2:3:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O[6]-2:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]O[6])2(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6a]C[6]O[6])2(H)2{2|H<1>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,2|O<2>,6|C<3>}	H(C[6]C[6,6]2H)	108.7030	0.033	2	108.7025	0.000	4	108.7025	0.000	4	108.1315	4.937	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:2:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:O[6]-2:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6]C[6,6a]O)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2{1|C<2>,1|H<1>,1|O<1>,3|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]H){1|Br<1>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	106.9895	4.557	2	106.9895	20.769	2	106.9895	20.769	2	108.1315	4.937	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:2:4:	4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]O[6]C)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[3,6]HH)(O[6]C[6])(CH3)	H(C[6]C[3,6]C[6,6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]O[6]C)(H)2{1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[3,6]HH)(O[6]C[6])(CH3){1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[3,6]C[6,6]H)	108.7573	0.146	14	108.7573	0.021	14	108.7573	0.021	14	108.8369	0.040	18	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:2:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6,6]C[6,6]O[6]O)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6]HH)(O[6]C[6])(CH3)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]O[6]C)(C[6,6]C[6,6]O[6]O)(H)2{1|N<2>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6]HH)(O[6]C[6])(CH3){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	H(C[6]C[6,6]2H)	109.0710	0.030	2	109.0710	0.001	2	109.0710	0.001	2	108.8369	0.040	18	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:2:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6,6]N[6,6]O[6]C)(C[6]C[6a]C[6]H)(H)2	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]O[6]C)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])(CH3){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1600	0.025	2	109.1600	0.001	2	109.1600	0.001	2	108.8369	0.040	18	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]S[6])(C[6]C[5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|N<2>,1|S<4>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[6]S[6])(C[6]C[5,6]HH)(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|O<1>,3|C<4>}	H(C[6]C[5,6]C[6,6]H)	109.5715	0.053	2	109.5715	0.003	2	109.5715	0.003	2	109.3092	0.156	132	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[3,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[3,6]C[3,6]O[3]C)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(N[6,6]C[6]2)(H)	H(C[6]C[3,6]C[6,6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[3,6]C[3,6]O[3]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(N[6,6]C[6]2)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[3,6]C[6,6]H)	108.3485	0.069	2	108.3485	0.005	2	108.3485	0.005	2	109.3092	0.156	132	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,6|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.1960	0.016	2	109.1960	0.000	2	109.4573	0.052	6	109.3092	0.156	132	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]N[5]H)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]N[5]H)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.5880	0.137	4	109.5880	0.019	4	109.4573	0.052	6	109.3092	0.156	132	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]N[5]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]N[5]H)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.6580	0.031	2	109.5360	0.022	4	109.5360	0.022	4	109.3092	0.156	132	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]N[5]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]N[5]H)(H)2{1|H<1>,1|O<2>,3|C<3>,4|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H){1|N<4>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.4140	0.081	2	109.5360	0.022	4	109.5360	0.022	4	109.3092	0.156	132	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]2H)	109.5828	0.032	4	109.4176	0.046	20	109.4176	0.046	20	109.3092	0.156	132	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]2H)	109.4185	0.011	2	109.4176	0.046	20	109.4176	0.046	20	109.3092	0.156	132	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6,6]2H)	109.3585	0.045	2	109.4176	0.046	20	109.4176	0.046	20	109.3092	0.156	132	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){3|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]2H)	109.5275	0.182	4	109.4176	0.046	20	109.4176	0.046	20	109.3092	0.156	132	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,1|S<4>,2|C<4>,4|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6,6]2H)	109.5390	0.119	2	109.4176	0.046	20	109.4176	0.046	20	109.3092	0.156	132	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){1|S<4>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]2H)	109.0950	0.210	4	109.4176	0.046	20	109.4176	0.046	20	109.3092	0.156	132	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]2H)	109.4490	0.044	2	109.4176	0.046	20	109.4176	0.046	20	109.3092	0.156	132	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	N[5,6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]N[5,6,6]C[6]H)(C[6,6]C[6]S[6]2)(H)2	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6,6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]N[5,6,6]C[6]H)(C[6,6]C[6]S[6]2)(H)2{1|O<1>,2|H<1>,5|C<4>}	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6,6]HH)(C[6]C[6]O)(H){2|S<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]2H)	109.3650	0.000	2	109.3650	0.000	2	109.3650	0.000	2	109.3092	0.156	132	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6,6]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.6490	0.007	2	109.6490	0.000	2	109.8645	0.062	4	109.3092	0.156	132	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6,6]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)(N[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)(N[6]C[6]O)(H){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	110.0800	0.021	2	110.0800	0.000	2	109.8645	0.062	4	109.3092	0.156	132	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:F-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(F)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(F){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2992	0.100	12	109.2992	0.010	12	109.2992	0.010	12	109.3092	0.156	132	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]HH)(C[6]O[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|O<2>,2|O<1>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]HH)(C[6]O[6]O)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.6173	0.027	3	109.6173	0.001	3	109.1815	0.364	37	109.3092	0.156	132	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7722	0.957	4	108.7722	0.916	4	109.1815	0.364	37	109.3092	0.156	132	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{2|C<4>,3|O<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.2148	0.042	4	108.2148	0.002	4	109.1815	0.364	37	109.3092	0.156	132	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.7110	0.000	1	109.7110	0.000	1	109.1815	0.364	37	109.3092	0.156	132	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0375	0.083	4	109.0375	0.007	4	109.1815	0.364	37	109.3092	0.156	132	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4625	0.013	2	109.5517	0.011	16	109.1815	0.364	37	109.3092	0.156	132	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5595	0.119	4	109.5517	0.011	16	109.1815	0.364	37	109.3092	0.156	132	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.5665	0.111	10	109.5517	0.011	16	109.1815	0.364	37	109.3092	0.156	132	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(H){4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4980	0.000	1	109.4980	0.000	1	109.1815	0.364	37	109.3092	0.156	132	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SS)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SS)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|S<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.0670	0.020	2	108.0670	0.000	2	109.1815	0.364	37	109.3092	0.156	132	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2980	0.035	2	109.2980	0.001	2	109.1815	0.364	37	109.3092	0.156	132	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(N[6]C[6]N)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(N[6]C[6]N)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5010	0.027	2	109.5010	0.001	2	109.4493	0.004	4	109.3092	0.156	132	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3975	0.006	2	109.3975	0.000	2	109.4493	0.004	4	109.3092	0.156	132	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[3x6]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]N[3x6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[3x6]C[6,6]N[3x6])(C[6]C[6]HH)(N[6]N[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[3x6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,3|H<1>}	C[6,6](N[3x6]C[6,6]N[3x6])(C[6]C[6]HH)(N[6]N[6]H)(H){1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3284	0.178	7	109.3284	0.032	7	109.3284	0.032	7	109.3092	0.156	132	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H){1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3033	0.126	20	109.3355	0.020	25	109.2932	0.037	31	109.3092	0.156	132	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H){1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4644	0.125	5	109.3355	0.020	25	109.2932	0.037	31	109.3092	0.156	132	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5800	0.000	1	109.5800	0.000	1	109.2932	0.037	31	109.3092	0.156	132	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]S[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]S[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H){1|O<1>,1|S<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0240	0.199	5	109.0240	0.040	5	109.2932	0.037	31	109.3092	0.156	132	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0600	0.000	1	109.0600	0.000	1	109.0600	0.000	1	109.3092	0.156	132	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:2:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-3:S-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]N[6,6]C[6]S)(H)2	C[6,6](N[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]N[6]O)(SS)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]N[6,6]C[6]S)(H)2{1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](N[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]N[6]O)(SS){1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]2H)	108.5635	0.127	2	108.5635	0.016	2	108.5635	0.016	2	109.1233	0.150	9	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(CC)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(CC){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1547	0.077	3	109.1547	0.006	3	109.1547	0.006	3	109.1233	0.150	9	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(OH){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.6440	0.010	2	109.6440	0.000	2	109.4580	0.104	3	109.1233	0.150	9	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(H)2{2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(OH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0860	0.000	1	109.0860	0.000	1	109.4580	0.104	3	109.1233	0.150	9	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]N[6]O)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]N[6]O)(O[6]C[6]){1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1450	0.000	1	109.1450	0.000	1	109.1450	0.000	1	109.1233	0.150	9	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:3:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]C[6])(C[5,6]C[5,6a]C[5,6]H)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[5,6]HH)(C[6]C[6,6a]O)(C[6a]C[6a]2)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[5,6]C[5,6a]C[5,6]H)(H)2{1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[5,6]HH)(C[6]C[6,6a]O)(C[6a]C[6a]2){1|C<4>,4|H<1>,7|C<3>}	H(C[6]C[5,6]C[6,6]H)	110.4080	5.008	2	110.4080	25.077	2	110.4080	25.077	2	109.5348	5.488	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]2)(C[6]O[6]HO)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]O[6]HO)(H)2{2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]H)2{2|H<1>,3|O<2>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.0180	0.010	2	109.0180	0.000	2	109.0180	0.000	2	109.5348	5.488	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]Cl)(N[6]C[6]C)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]N[6])(C[6]C[6]HH)(H)2{1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]Cl)(N[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1785	0.217	2	109.1785	0.047	2	109.1785	0.047	2	109.5348	5.488	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[6,6]C)(C[6]C[6,6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C)(C[6]C[6,6]HH)(C[6]C[6]O)(CH3){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6,6]2H)	108.8940	0.226	4	108.8940	0.051	4	108.9230	0.043	5	108.5880	0.447	86	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C)(C[6]C[6,6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|O<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C)(C[6]C[6,6]HH)(C[6]C[6]O)(CH3){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6,6]2H)	109.0390	0.000	1	109.0390	0.000	1	108.9230	0.043	5	108.5880	0.447	86	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.6372	0.139	18	108.6372	0.019	18	108.5294	0.407	77	108.5880	0.447	86	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3){2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.7795	0.021	2	108.7795	0.000	2	108.5294	0.407	77	108.5880	0.447	86	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7995	0.056	2	108.7995	0.003	2	108.5294	0.407	77	108.5880	0.447	86	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	106.5635	1.672	2	107.2647	1.605	4	108.5294	0.407	77	108.5880	0.447	86	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	107.9660	0.225	2	107.2647	1.605	4	108.5294	0.407	77	108.5880	0.447	86	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]N[6]O)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]N[6]O)(CH3){3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.0805	0.005	2	108.2430	0.035	4	108.5294	0.407	77	108.5880	0.447	86	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]N[6]O)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|N<3>,2|C<3>,2|O<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]N[6]O)(CH3){3|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	108.4055	0.016	2	108.2430	0.035	4	108.5294	0.407	77	108.5880	0.447	86	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.3367	1.659	4	108.3367	2.754	4	108.5294	0.407	77	108.5880	0.447	86	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0300	0.028	2	109.0300	0.001	2	108.5294	0.407	77	108.5880	0.447	86	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7530	0.014	2	108.2496	0.134	17	108.5294	0.407	77	108.5880	0.447	86	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.0530	0.519	4	108.2496	0.134	17	108.5294	0.407	77	108.5880	0.447	86	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,2|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.4370	0.027	2	108.2496	0.134	17	108.5294	0.407	77	108.5880	0.447	86	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,2|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.1834	0.265	9	108.2496	0.134	17	108.5294	0.407	77	108.5880	0.447	86	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,2|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|Si<4>,1|C<3>,1|H<1>,1|I<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	107.9655	0.011	2	108.3663	0.214	4	108.5294	0.407	77	108.5880	0.447	86	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{2|C<4>,3|O<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.7670	0.024	2	108.3663	0.214	4	108.5294	0.407	77	108.5880	0.447	86	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.5530	0.006	2	108.6855	0.169	6	108.5294	0.407	77	108.5880	0.447	86	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,2|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7518	0.513	4	108.6855	0.169	6	108.5294	0.407	77	108.5880	0.447	86	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.3250	0.055	2	109.3250	0.003	2	108.5294	0.407	77	108.5880	0.447	86	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9690	0.125	8	108.9690	0.016	8	108.5294	0.407	77	108.5880	0.447	86	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.9750	0.000	1	108.9750	0.000	1	108.5294	0.407	77	108.5880	0.447	86	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0880	0.000	1	109.0880	0.000	1	108.5294	0.407	77	108.5880	0.447	86	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2050	0.011	2	109.2050	0.000	2	108.5294	0.407	77	108.5880	0.447	86	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C[6a])(C[6]N[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.9830	1.468	2	109.9830	2.155	2	109.9830	2.155	2	108.5880	0.447	86	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:3:4:	4:	C[6,6]-4:Si[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(Si[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6a]N[6])(C[6]Si[6]HH)(C[6]N[6]O)(CH3)	H(C[6]C[6,6]Si[6]H)	C[6](C[6,6]C[6,6]C[6]C)(Si[6]C[6]CC)(H)2{1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>}	C[6,6](C[6,6]C[6,6a]N[6])(C[6]Si[6]HH)(C[6]N[6]O)(CH3){2|C<3>,4|C<4>}	H(C[6]C[6,6]Si[6]H)	108.6105	0.026	2	108.6105	0.001	2	108.6105	0.001	2	108.5880	0.447	86	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6a]C[6,6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[5,6,6]HH)(C[6]C[5,6,6]HH)(H)	H(C[6]C[5,6,6]C[6,6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6a]C[6,6]H)(H)2{1|N<4>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[5,6,6]HH)(C[6]C[5,6,6]HH)(H){1|C<3>,1|N<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6,6]H)	108.6570	0.006	2	108.6570	0.000	2	108.6570	0.000	2	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[6a]O[5])(C[6,6]C[6,6a]C[6,6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]O[5,6]C[6a]O[5])(C[6,6]C[6,6a]C[6,6]H)(H)2{1|H<1>,3|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6,6]H)	109.3780	0.017	2	109.3780	0.000	2	109.3780	0.000	2	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[3x6]-3:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[5,6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[6,6](C[3x6]C[4x6]C[6,6])(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[3x6]C[5,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[4x6]C[6,6])(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6,6]H)	109.2270	0.000	1	109.2270	0.000	1	109.2270	0.000	1	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6,6]H)	108.4460	2.106	4	108.4460	4.435	4	108.4460	4.435	4	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[6,6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2O)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<2>,2|O<1>,4|C<4>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2O)(H){2|C<4>,3|C<3>,6|H<1>}	H(C[6]C[5,6]C[6,6]H)	108.7782	0.023	4	108.7782	0.001	4	108.7782	0.001	4	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]2)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]2)(H)2{1|C<2>,1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|C<2>,2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.5850	0.045	2	109.5850	0.002	2	109.5850	0.002	2	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[6,6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2H)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2H)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]2H)	109.9100	0.030	2	109.9100	0.001	2	109.9100	0.001	2	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,2|H<1>,6|C<4>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]2H)	108.4275	0.086	2	108.4275	0.007	2	108.4275	0.007	2	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|O<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]2H)	109.1910	0.027	2	109.1910	0.001	2	109.1910	0.001	2	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]O[6]C)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]O[6]C)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H){1|H<1>,1|O<1>,2|C<3>,3|O<2>,4|C<4>}	H(C[6]C[6,6]2H)	109.0550	0.529	3	109.0550	0.280	3	109.0550	0.280	3	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	N[5,6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[5,6,6]C[6]H)(C[6,6]C[6]S[6]2)(H)2	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6,6]HH)(C[6]C[6]CI)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]N[5,6,6]C[6]H)(C[6,6]C[6]S[6]2)(H)2{1|I<1>,2|H<1>,6|C<4>}	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6,6]HH)(C[6]C[6]CI)(H){2|S<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]2H)	109.4780	0.016	2	109.4780	0.000	2	109.4780	0.000	2	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:N[6,6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[5,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6]HH)(N[6,6]C[6]2C)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]N[5,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,2|H<1>,6|C<4>}	C[6,6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6]HH)(N[6,6]C[6]2C)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]2H)	109.2587	0.302	4	109.2587	0.091	4	109.2587	0.091	4	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:Br-1:H-1:	Se[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(Br)(H)	C[6,6](Se[6,6]C[6,6]Br)(C[6]C[6]BrH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]Br)	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(Br)(H){1|Br<1>,2|C<4>,4|H<1>}	C[6,6](Se[6,6]C[6,6]Br)(C[6]C[6]BrH)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]Br)	107.8752	0.898	4	107.8752	0.807	4	107.8752	0.807	4	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(Cl)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]ClH)(H)	H(C[6]C[6,6]C[6]Cl)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(Cl)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]ClH)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]Cl)	107.4924	0.708	5	107.4924	0.501	5	107.4924	0.501	5	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6,6](B[6,6]C[6,6]2)(C[6]C[6]HH)2(H){1|N<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.5629	0.185	7	108.5629	0.034	7	108.5236	0.156	229	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](B[6,6]C[6,6]C)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4385	0.130	4	108.6628	0.073	96	108.5236	0.156	229	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6,6](B[6,6]C[6,6]C)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6726	0.271	92	108.6628	0.073	96	108.5236	0.156	229	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]C[5])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](B[6,6]C[6,6]C[5])(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.5480	0.302	21	108.5480	0.091	21	108.5236	0.156	229	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](B[6,6]C[6,6]C[6])(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4513	0.276	12	108.4440	0.070	20	108.5236	0.156	229	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6,6](B[6,6]C[6,6]C[6])(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.4331	0.262	8	108.4440	0.070	20	108.5236	0.156	229	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]Ge)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ge<3>,2|C<4>,4|H<1>}	C[6,6](B[6,6]C[6,6]Ge)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.2460	0.124	7	108.2460	0.015	7	108.5236	0.156	229	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]N)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,4|H<1>}	C[6,6](B[6,6]C[6,6]N)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9968	0.059	6	108.4721	0.112	34	108.5236	0.156	229	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]N)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6,6](B[6,6]C[6,6]N)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.3596	0.248	28	108.4721	0.112	34	108.5236	0.156	229	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]N[5])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](B[6,6]C[6,6]N[5])(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.5740	0.139	3	108.1449	0.584	19	108.5236	0.156	229	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]N[5])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6,6](B[6,6]C[6,6]N[5])(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.0644	0.809	16	108.1449	0.584	19	108.5236	0.156	229	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]N[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6,6](B[6,6]C[6,6]N[6])(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.3864	0.078	7	108.3864	0.006	7	108.5236	0.156	229	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]O[4])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<3>,2|C<4>,4|H<1>}	C[6,6](B[6,6]C[6,6]O[4])(C[6]C[6]HH)2(H){2|In<4>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	107.6967	0.251	4	107.6967	0.063	4	108.5236	0.156	229	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]S)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|S<2>,2|C<4>,4|H<1>}	C[6,6](B[6,6]C[6,6]S)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.3849	0.282	7	108.3849	0.079	7	108.5236	0.156	229	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]Si)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Si<3>,2|C<4>,4|H<1>}	C[6,6](B[6,6]C[6,6]Si)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0327	0.080	7	109.0327	0.006	7	108.5236	0.156	229	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[3x6]C[4x6]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[4x6]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|H<1>,1|I<1>,1|N<3>,1|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1265	0.023	2	109.1265	0.001	2	109.1265	0.001	2	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]2)(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]2)(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<3>,1|S<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.8290	0.004	2	109.8290	0.000	2	109.7742	0.004	4	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]N[5,6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>,2|N<3>}	C[6,6](C[5,6,6]N[5,6]2)(C[6]C[6]HH)2(H){4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.7195	0.015	2	109.7195	0.000	2	109.7742	0.004	4	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CH)(H)2	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0905	0.016	2	109.0905	0.000	2	109.2733	0.045	4	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4560	0.004	2	109.4560	0.000	2	109.2733	0.045	4	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>,3|H<1>}	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	109.4250	0.004	2	109.4250	0.000	2	109.4250	0.000	2	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5,6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5a,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5a,6]C[5a,6]S[5a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[5a,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[6,6](C[5a,6]C[5a,6]S[5a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2900	0.000	1	109.2900	0.000	1	109.2900	0.000	1	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[5,6,6]HH)(H)2	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[5,6,6]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	110.0605	0.019	2	110.0605	0.000	2	109.8547	0.127	3	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.4430	0.000	1	109.4430	0.000	1	109.8547	0.127	3	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.7507	0.085	3	109.7507	0.007	3	109.7507	0.007	3	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.7100	0.037	2	109.7100	0.001	2	109.8270	0.041	8	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.5860	0.025	2	109.5860	0.001	2	109.8270	0.041	8	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]O[6]CH)(H)2	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]O[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.9575	0.035	2	109.9575	0.001	2	109.8270	0.041	8	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]O[6]HO)(H)2	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]O[6]HO)(H)2{1|C<4>,4|C<3>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	H(C[6]C[6,6]C[6]H)	110.0545	0.005	2	110.0545	0.000	2	109.8270	0.041	8	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,6,6]HH)(H)2	C[6,6](C[6,6]C[3,6,6]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.9415	0.590	2	108.9415	0.349	2	108.9415	0.349	2	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[3,6,6]HH)(H)2	C[6,6](C[6,6]C[3,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.5200	0.014	2	108.5200	0.000	2	108.8617	0.264	98	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.8830	0.181	6	108.7654	0.242	77	108.8617	0.264	98	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8047	0.215	33	108.7654	0.242	77	108.8617	0.264	98	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.5944	0.076	8	108.7654	0.242	77	108.8617	0.264	98	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.7320	0.017	2	108.7654	0.242	77	108.8617	0.264	98	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.0321	0.981	14	108.7654	0.242	77	108.8617	0.264	98	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.4582	0.339	14	108.7654	0.242	77	108.8617	0.264	98	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.6320	0.098	2	108.6320	0.010	2	108.8617	0.264	98	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|N<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3272	0.037	4	109.3272	0.001	4	108.8617	0.264	98	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3220	0.000	1	109.3220	0.000	1	108.8617	0.264	98	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O[6])(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.6040	0.016	2	108.6040	0.000	2	108.8617	0.264	98	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2090	0.000	1	109.2090	0.000	1	108.8617	0.264	98	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6a]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6a]C[6]H)(H)2{1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|N<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4792	0.247	4	109.4792	0.061	4	108.8617	0.264	98	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6,6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6,6]CH)(C[6]C[6]HH)(H){2|C<4>,2|N<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.5790	0.000	1	109.5790	0.000	1	108.8617	0.264	98	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]O[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]O[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.6665	0.077	4	109.6665	0.006	4	108.8617	0.264	98	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]CH)(H)2	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]CH)(H)2{3|C<3>,4|C<4>}	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.7155	0.009	2	109.7155	0.000	2	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.6705	0.085	4	109.6705	0.007	4	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.3305	0.071	2	108.3305	0.005	2	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9338	0.039	4	108.9338	0.002	4	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(H){1|C<3>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0228	0.052	4	109.0228	0.003	4	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1565	0.025	2	109.1565	0.001	2	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<2>,2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	109.2752	0.363	18	109.2752	0.132	18	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H){1|C<4>,4|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	109.5870	0.045	5	109.5870	0.002	5	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|C<4>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	110.9360	0.000	1	110.9360	0.000	1	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9115	0.252	2	107.9990	2.530	3	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	106.1740	0.000	1	107.9990	2.530	3	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)2(H){1|S<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9622	0.765	4	108.9622	0.585	4	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.8100	0.041	3	109.8100	0.002	3	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.7380	3.362	2	109.7380	11.300	2	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,4|C<3>}	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.7645	0.015	2	109.7645	0.000	2	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(H){1|C<3>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.7447	0.035	4	108.7447	0.001	4	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1465	0.073	2	109.1465	0.005	2	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2717	0.025	4	109.3743	0.026	6	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5795	0.029	2	109.3743	0.026	6	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|N<3>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	108.8940	0.037	2	108.8940	0.001	2	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.6790	0.000	1	108.7295	0.005	2	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7800	0.000	1	108.7295	0.005	2	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2085	0.018	2	109.2085	0.000	2	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|P<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.6375	0.025	2	109.6375	0.001	2	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2848	1.134	6	109.2848	1.285	6	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[5])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[5])(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.5915	3.953	4	108.5915	15.630	4	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5665	0.008	2	109.5665	0.000	2	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6a])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6a])(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4599	0.446	8	108.4599	0.199	8	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]N)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]N)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4855	0.042	2	108.5498	0.006	4	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]N)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]N)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6140	0.007	2	108.5498	0.006	4	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.6287	0.321	4	108.6287	0.103	4	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CO)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CO)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6902	0.106	4	108.6902	0.011	4	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.4460	0.000	1	108.2513	0.029	3	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.1540	0.013	2	108.2513	0.029	3	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1337	0.032	3	109.1544	0.003	5	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1855	0.083	2	109.1544	0.003	5	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1635	0.226	4	109.2590	0.044	7	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.5050	0.000	1	109.2590	0.044	7	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.3270	0.051	2	109.2590	0.044	7	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.9450	0.013	2	109.4367	0.885	9	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5771	1.037	7	109.4367	0.885	9	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HP)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|P<4>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HP)(H){1|B<4>,1|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.2270	0.057	2	109.2270	0.003	2	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.8805	0.006	2	109.8805	0.000	2	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1088	0.102	5	109.0278	1.310	19	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2560	0.038	2	109.0278	1.310	19	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0105	0.011	2	109.0278	1.310	19	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8118	0.061	4	109.0278	1.310	19	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	107.5615	4.076	2	109.0278	1.310	19	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.6315	0.013	2	109.0278	1.310	19	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.9095	0.013	2	109.0278	1.310	19	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4710	0.243	4	109.4710	0.059	4	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.5590	0.013	2	109.4260	0.024	4	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2930	0.010	2	109.4260	0.024	4	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]HO)(H)2	C[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.6867	0.832	6	108.6867	0.693	6	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.3825	0.028	2	109.3825	0.001	2	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	110.8492	1.293	4	110.8492	1.671	4	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CO)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3295	0.021	2	109.3295	0.000	2	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.9703	0.103	3	109.9703	0.011	3	109.1683	0.900	180	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[3x6]H)(C[6]C[6a]O[6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[3x6]H)(C[6]C[6a]O[6]H)(H)2{1|C<4>,1|O<2>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]O)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|O<2>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.3480	0.071	4	109.3480	0.005	4	109.3480	0.005	4	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2706	0.116	8	109.3035	0.042	16	109.3502	0.076	17	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3364	0.271	8	109.3035	0.042	16	109.3502	0.076	17	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6a]O[6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6a]O[6]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	110.0970	0.000	1	110.0970	0.000	1	109.3502	0.076	17	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.5647	0.023	3	109.1060	0.671	246	109.1606	0.561	319	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1353	0.958	170	109.1060	0.671	246	109.1606	0.561	319	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1563	0.155	7	109.1060	0.671	246	109.1606	0.561	319	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1580	0.024	2	109.1060	0.671	246	109.1606	0.561	319	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9590	0.065	2	109.1060	0.671	246	109.1606	0.561	319	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0122	0.355	60	109.1060	0.671	246	109.1606	0.561	319	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6615	0.087	2	109.1060	0.671	246	109.1606	0.561	319	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3315	0.039	2	109.3315	0.002	2	109.1606	0.561	319	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>,2|S<2>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3905	0.052	2	109.3905	0.003	2	109.1606	0.561	319	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	107.6490	0.000	1	107.6490	0.000	1	109.1606	0.561	319	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1743	0.179	4	109.2276	0.031	14	109.1606	0.561	319	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2489	0.180	10	109.2276	0.031	14	109.1606	0.561	319	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]2H)(C[6]C[6]HH)(H){3|H<1>,6|C<3>}	H(C[6]C[6,6]C[6]H)	109.0605	0.008	2	109.0605	0.000	2	109.1606	0.561	319	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)(H){4|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	109.3405	0.162	4	109.3405	0.026	4	109.1606	0.561	319	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|N<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2050	0.038	2	109.2050	0.001	2	109.1606	0.561	319	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9810	0.000	1	109.2317	0.047	3	109.1606	0.561	319	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3570	0.027	2	109.2317	0.047	3	109.1606	0.561	319	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2475	0.100	2	109.2475	0.010	2	109.1606	0.561	319	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,3|O<2>}	H(C[6]C[6,6]C[6]H)	109.3680	0.010	2	109.4896	0.014	5	109.1606	0.561	319	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	H(C[6]C[6,6]C[6]H)	109.5707	0.063	3	109.4896	0.014	5	109.1606	0.561	319	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.4370	0.000	1	109.4370	0.000	1	109.1606	0.561	319	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4828	0.328	10	109.4828	0.108	10	109.1606	0.561	319	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.5170	0.013	2	109.5170	0.000	2	109.1606	0.561	319	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4195	1.708	2	109.4195	2.916	2	109.1606	0.561	319	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[5,6]CH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[5,6]CH)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.7965	0.006	2	109.7965	0.000	2	109.1606	0.561	319	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3160	0.038	2	109.3160	0.001	2	109.1606	0.561	319	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4382	0.293	4	109.4382	0.086	4	109.1606	0.561	319	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5696	0.160	7	109.4809	0.127	11	109.1606	0.561	319	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,3|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3257	0.567	4	109.4809	0.127	11	109.1606	0.561	319	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]S[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]S[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|S<2>,3|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9640	0.013	2	108.9640	0.000	2	109.1606	0.561	319	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6]C[6a])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6]C[6,6]C[6a])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3735	0.026	2	109.3735	0.001	2	109.3735	0.001	2	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[3x6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H){5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4710	0.118	4	108.4710	0.014	4	109.2052	0.204	35	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[3x6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CO)(H)2	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CO)(H)2{3|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H){1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.5725	0.156	4	108.5725	0.024	4	109.2052	0.204	35	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[3x6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2990	0.000	1	109.2990	0.000	1	109.2052	0.204	35	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[3x6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H){1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1760	0.035	2	109.3150	0.027	22	109.2052	0.204	35	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[3x6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H){1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2117	0.165	4	109.3150	0.027	22	109.2052	0.204	35	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[3x6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3909	0.090	12	109.3150	0.027	22	109.2052	0.204	35	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[3x6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H){5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2597	0.281	4	109.3150	0.027	22	109.2052	0.204	35	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[3x6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[3x6]C[6]H)(C[6]N[6]HH)(H)2	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H){2|C<3>,2|N<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.9447	0.123	4	109.9447	0.015	4	109.2052	0.204	35	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5,6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[5,6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[5,6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6]HH)2(H){1|O<2>,2|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7775	0.016	2	108.7775	0.000	2	108.7782	0.001	4	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5,6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[5,6,6]C[6]H)(C[6]N[6]CH)(H)2	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[5,6,6]C[6]H)(C[6]N[6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6]HH)2(H){1|O<2>,2|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7790	0.038	2	108.7790	0.001	2	108.7782	0.001	4	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]N[5,6]H)(C[6]C[6]CH)(H)2	C[6,6](N[5,6]C[5,6]N[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]N[5,6]H)(C[6]C[6]CH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[6,6](N[5,6]C[5,6]N[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9275	2.361	4	108.9275	5.573	4	108.9275	5.573	4	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[5,6]H)(C[6]C[6]HH)(H)2	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	110.4460	0.960	2	110.4460	0.922	2	110.1950	0.283	5	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[5,6]H)(C[6]C[6]HH)(H)2	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	110.0277	0.013	3	110.0277	0.000	3	110.1950	0.283	5	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[5a,6]C[6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[5a,6]C[6]O)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3580	0.000	1	109.3580	0.000	1	109.3580	0.000	1	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,6|H<1>}	H(C[6]C[6,6]C[6]H)	107.5285	0.142	2	107.5285	0.020	2	107.5285	0.020	2	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6,6,6a]C[6])(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](N[6,6]C[6,6,6a]C[6])(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2923	0.036	3	109.2923	0.001	3	109.2923	0.001	3	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6,6](N[6,6]C[5,6,6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{3|C<4>,4|H<1>}	C[6,6](N[6,6]C[5,6,6]H)(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.1042	1.372	6	108.1042	1.883	6	108.9393	0.614	124	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H){1|S<1>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	107.6935	0.938	2	107.6935	0.880	2	108.9393	0.614	124	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO)(H)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO)(H)2{1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2002	0.078	4	108.9938	0.106	6	108.9393	0.614	124	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO)(H)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO)(H)2{1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.5810	0.051	2	108.9938	0.106	6	108.9393	0.614	124	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[5,6,6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6,6](N[6,6]C[5,6,6]H)(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0778	1.544	6	109.0778	2.384	6	108.9393	0.614	124	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2555	0.013	2	109.2555	0.000	2	108.9393	0.614	124	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.4125	0.018	2	108.4125	0.000	2	108.9393	0.614	124	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2280	0.016	2	109.3822	0.018	23	108.9393	0.614	124	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)2(H){1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3969	0.131	21	109.3822	0.018	23	108.9393	0.614	124	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)2(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1375	0.073	11	109.1375	0.005	11	108.9393	0.614	124	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.0285	2.297	4	108.0285	5.277	4	108.9393	0.614	124	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7280	0.013	2	108.7280	0.000	2	108.9393	0.614	124	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6,6]O)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6,6](N[6,6]C[6,6]O)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0367	0.057	4	109.0367	0.003	4	108.9393	0.614	124	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.6265	0.487	2	108.6265	0.237	2	108.9393	0.614	124	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0390	0.020	2	109.0030	0.004	3	108.9393	0.614	124	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9310	0.000	1	109.0030	0.004	3	108.9393	0.614	124	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2912	0.277	4	108.9435	0.884	10	108.9393	0.614	124	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H){1|Pd<4>,1|C<4>,1|N<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8735	0.011	2	108.9435	0.884	10	108.9393	0.614	124	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H){1|S<1>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	107.4995	1.312	2	108.9435	0.884	10	108.9393	0.614	124	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.7620	0.007	2	108.9435	0.884	10	108.9393	0.614	124	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]S[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|S<4>,2|C<4>,4|H<1>}	C[6,6](N[6,6]C[6]S[6])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0390	0.020	2	109.0390	0.000	2	108.9393	0.614	124	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HN)(H)2	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HN)(H)2{3|C<4>,4|H<1>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)2(H){1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1240	0.232	22	109.1240	0.054	22	108.9393	0.614	124	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.4200	0.000	1	108.4200	0.000	1	108.9393	0.614	124	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.6802	0.107	5	108.6802	0.011	5	108.9393	0.614	124	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]O)(H)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]O)(H)2{1|Cl<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3900	0.008	2	109.3748	0.000	4	108.9393	0.614	124	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]O)(H)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]O)(H)2{2|C<4>,3|C<3>,4|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3595	0.016	2	109.3748	0.000	4	108.9393	0.614	124	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2	C[6,6](N[6,6]C[6]S[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](N[6,6]C[6]S[6])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9950	0.000	1	108.9950	0.000	1	108.9393	0.614	124	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]N[6]CH)(H)2	C[6,6](N[6,6]C[6]S[6])(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]N[6]CH)(H)2{1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C[6,6](N[6,6]C[6]S[6])(C[6]C[6]HH)(C[6]O[6]HH)(H){1|N<2>,2|C<4>,2|O<1>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.4303	0.122	4	108.4303	0.015	4	108.9393	0.614	124	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]N[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H){1|Pd<4>,1|C<4>,1|N<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	107.0685	0.272	2	107.0685	0.074	2	108.9393	0.614	124	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:N[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1250	0.000	1	109.1250	0.000	1	109.1250	0.000	1	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	P[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](P[6,6]C[6,6]P)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|P<3>,2|C<4>,4|H<1>}	C[6,6](P[6,6]C[6,6]P)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.2207	0.130	8	108.2207	0.017	8	108.2332	0.016	37	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	P[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](P[6,6]C[6,6]P[6,6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|P<3>,2|C<4>,4|H<1>}	C[6,6](P[6,6]C[6,6]P[6,6])(C[6]C[6]HH)2(H){4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.2423	0.136	22	108.2423	0.018	22	108.2332	0.016	37	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	P[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](P[6,6]C[6,6]Si)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Si<4>,2|C<4>,4|H<1>}	C[6,6](P[6,6]C[6,6]Si)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.2191	0.108	7	108.2191	0.012	7	108.2332	0.016	37	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	Se[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](Se[6,6]C[6,6]Br)(C[6]C[6]BrH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|Br<1>,2|C<4>,2|H<1>}	C[6,6](Se[6,6]C[6,6]Br)(C[6]C[6]BrH)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.1427	0.136	6	108.1427	0.019	6	108.1427	0.019	6	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:N[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]N[6,6]H)	109.2595	0.025	4	109.2595	0.001	4	109.2595	0.001	4	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(N[6]C[6]HH)(H)2	C[6,6](C[6,6]N[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]2H)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[6,6]N[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	108.9640	1.515	4	108.9640	2.294	4	108.9640	2.294	4	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6]HH)(H)2	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	109.6394	0.728	34	109.6394	0.530	34	109.6394	0.530	34	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:S[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(S[6]C[6]OO)(H)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]HO)(C[6]S[6]HH)(H)	H(C[6]C[6,6]S[6]H)	C[6](C[6,6]N[6,6]C[6]H)(S[6]C[6]OO)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HO)(C[6]S[6]HH)(H){1|O<2>,2|C<4>,2|O<1>,5|H<1>}	H(C[6]C[6,6]S[6]H)	109.2895	0.050	2	109.2895	0.003	2	109.2895	0.003	2	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:Si[6]-4:H-1:H-1:	C[3x6]-3:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[5,6]H)(Si[6]C[4x6]CC)(H)2	C[6,6](C[3x6]C[4x6]C[6,6])(C[5,6]C[5,6]C[5]H)(C[6]Si[6]HH)(H)	H(C[6]C[6,6]Si[6]H)	C[6](C[6,6]C[3x6]C[5,6]H)(Si[6]C[4x6]CC)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6,6](C[3x6]C[4x6]C[6,6])(C[5,6]C[5,6]C[5]H)(C[6]Si[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,6|C<4>}	H(C[6]C[6,6]Si[6]H)	109.4595	0.028	2	109.4595	0.001	2	109.4595	0.001	2	108.9721	0.596	1185	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[5,6]C[6]O[5]2)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]HH)(OH)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[5,6]C[6]O[5]2)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]HH)(OH){2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6,6]H)	108.4970	0.165	2	108.4970	0.027	2	108.4970	0.027	2	109.0190	0.349	97	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2O)(H)2	C[6,6](C[6,6]C[6,6]O[6])(C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(OH)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2O)(H)2{1|C<3>,1|H<1>,2|O<2>,6|C<4>}	C[6,6](C[6,6]C[6,6]O[6])(C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(OH){1|Cl<1>,1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]2H)	109.6110	0.024	3	109.6110	0.001	3	109.6110	0.001	3	109.0190	0.349	97	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|N<2>,2|N<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1110	0.008	2	109.1110	0.000	2	109.3025	1.351	8	109.0190	0.349	97	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,2|N<2>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2627	1.563	4	109.3663	1.872	6	109.3025	1.351	8	109.0190	0.349	97	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){1|C<3>,2|N<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5735	1.378	2	109.3663	1.872	6	109.3025	1.351	8	109.0190	0.349	97	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C[6]-4:N[6]-2:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6]N[6])(C[6]N[6]HH)(H)2	C[6,6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)2(N[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6]N[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)2(N[6]C[6]){1|C<4>,1|N<3>,1|O<1>,2|N<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9810	0.140	4	108.9810	0.020	4	108.9810	0.020	4	109.0190	0.349	97	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(OH){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7400	0.025	2	108.7400	0.001	2	109.0290	0.112	4	109.0190	0.349	97	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.3180	0.017	2	109.3180	0.000	2	109.0290	0.112	4	109.0190	0.349	97	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]CH)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CN)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CN){1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9597	0.581	4	108.9597	0.338	4	108.8554	0.191	13	109.0190	0.349	97	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CN)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CN){1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.6383	0.121	3	108.6383	0.015	3	108.8554	0.191	13	109.0190	0.349	97	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CN)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CN){1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0990	0.034	2	108.7053	0.207	4	108.8554	0.191	13	109.0190	0.349	97	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CN)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CN){1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.3115	0.016	2	108.7053	0.207	4	108.8554	0.191	13	109.0190	0.349	97	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CN)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CN){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2725	0.028	2	109.2725	0.001	2	108.8554	0.191	13	109.0190	0.349	97	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[3x6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[3x6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.0300	0.014	2	108.0300	0.000	2	109.1671	0.510	9	109.0190	0.349	97	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]HH)(OH){2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.7605	0.452	2	109.7605	0.204	2	109.1671	0.510	9	109.0190	0.349	97	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3190	0.000	1	109.3190	0.000	1	109.1671	0.510	9	109.0190	0.349	97	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)2(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)2(OH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1095	0.022	2	109.1095	0.000	2	109.1671	0.510	9	109.0190	0.349	97	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)2(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)2(OH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.6925	0.005	2	109.6925	0.000	2	109.1671	0.510	9	109.0190	0.349	97	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(OH){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9265	0.013	2	108.9265	0.000	2	109.1326	0.358	17	109.0190	0.349	97	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]CH)(H)2	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OC)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OC){3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5925	1.171	4	109.5925	1.371	4	109.1326	0.358	17	109.0190	0.349	97	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2470	0.013	2	108.9034	0.101	5	109.1326	0.358	17	109.0190	0.349	97	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6350	0.025	2	108.9034	0.101	5	109.1326	0.358	17	109.0190	0.349	97	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7530	0.000	1	108.9034	0.101	5	109.1326	0.358	17	109.0190	0.349	97	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]N[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]N[6]HH)(H)2{2|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|O<1>,2|C<3>,2|N<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0857	0.047	6	109.0857	0.002	6	109.1326	0.358	17	109.0190	0.349	97	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6]CH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(O[6]C[6,6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6]CH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(O[6]C[6,6]){3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.7280	0.016	2	108.7280	0.000	2	108.8935	0.464	11	109.0190	0.349	97	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]HO)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]HO)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0550	0.013	2	109.0550	0.000	2	108.8935	0.464	11	109.0190	0.349	97	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]N[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]N[6]HH)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	107.8500	1.138	2	107.8500	1.296	2	108.8935	0.464	11	109.0190	0.349	97	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(O[6]C[6,6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(O[6]C[6,6]){3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5215	0.037	2	109.5215	0.001	2	108.8935	0.464	11	109.0190	0.349	97	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(O[6]O[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(O[6]O[6]){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1733	0.130	3	109.1733	0.017	3	108.8935	0.464	11	109.0190	0.349	97	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6]-4:S[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]S[6])(C[6]N[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH)(S[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]S[6])(C[6]N[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH)(S[6]C[6]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8695	0.848	2	108.8695	0.719	2	108.8695	0.719	2	109.0190	0.349	97	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]CH)(H)2	C[6,6](C[6]C[6,6]H)(C[6]C[6]HH)2(O[6]C[6,6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]CH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6,6]H)(C[6]C[6]HH)2(O[6]C[6,6]){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0275	0.023	2	109.0275	0.001	2	109.1889	0.036	8	109.0190	0.349	97	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6]C[6,6]H)(C[6]C[6]HH)2(O[6]C[6,6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6,6]H)(C[6]C[6]HH)2(O[6]C[6,6]){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.4595	0.006	2	109.4595	0.000	2	109.1889	0.036	8	109.0190	0.349	97	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6]C[6,6a]O)(C[6]C[6]HH)2(O[6]C[6,6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[6,6a]O)(C[6]C[6]HH)2(O[6]C[6,6]){4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0310	0.021	2	109.0310	0.000	2	109.1889	0.036	8	109.0190	0.349	97	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6]C[6,6a]O)(C[6]C[6]HH)2(O[6]C[6,6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6]C[6]HH)2(O[6]C[6,6]){4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2375	0.028	2	109.2375	0.001	2	109.1889	0.036	8	109.0190	0.349	97	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5,6,6]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]N[5,6,6]C[6]O)(C[6]C[6,6]HH)(H)2	C[6,6](N[5,6,6]C[5,3x6]C[5,6a])(C[6]C[6]HH)2(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[5,6,6]C[6]O)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](N[5,6,6]C[5,3x6]C[5,6a])(C[6]C[6]HH)2(OH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.6480	0.023	2	108.6480	0.001	2	108.6480	0.001	2	109.0190	0.349	97	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]N[5,6]O)(C[6]C[6]HH)(H)2	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(OH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3970	0.074	2	109.3970	0.005	2	109.3970	0.005	2	109.0190	0.349	97	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[5a,6]C[6a]H)(H)2	C[6,6](N[6,6]C[5a,6]C[6])(C[6]C[6]HH)2(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[5a,6]C[6a]H)(H)2{1|C<4>,2|H<1>,5|C<3>}	C[6,6](N[6,6]C[5a,6]C[6])(C[6]C[6]HH)2(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9677	0.153	4	108.9677	0.023	4	108.7092	0.068	12	109.0190	0.349	97	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]CC)(H)2	C[6,6](N[6,6]C[5a,6]C[6])(C[6]C[6]HH)2(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6,6](N[6,6]C[5a,6]C[6])(C[6]C[6]HH)2(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.4168	0.148	4	108.4168	0.022	4	108.7092	0.068	12	109.0190	0.349	97	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]FF)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]HH)(H)2{2|F<1>,2|H<1>,3|C<4>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]FF)(C[6]C[6]HH)(OH){1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.7635	0.018	2	108.7635	0.000	2	108.7092	0.068	12	109.0190	0.349	97	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]FF)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|F<1>,3|H<1>}	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]FF)(C[6]C[6]HH)(OH){1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.7230	0.040	2	108.7230	0.002	2	108.7092	0.068	12	109.0190	0.349	97	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:3:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]C[6])(C[5,6]O[5,6]O[5]C)(H)2	C[6,6](C[6,6]C[5,6]N[6])(C[6]C[6,6a]HO)(C[6]C[5,6]HH)(C[6a]C[6a]2)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[5,6]O[5,6]O[5]C)(H)2{1|C<4>,1|H<1>,1|N<2>,2|O<2>,3|C<3>}	C[6,6](C[6,6]C[5,6]N[6])(C[6]C[6,6a]HO)(C[6]C[5,6]HH)(C[6a]C[6a]2){2|C<4>,2|H<1>,3|O<2>,4|C<3>}	H(C[6]C[5,6]C[6,6]H)	108.9745	0.042	2	108.9745	0.002	2	108.9745	0.002	2	108.9887	0.135	142	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:3:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)2(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6]HH)(C[6]N[6]HH)(COO)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]C)2(H)2{1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6]HH)(C[6]N[6]HH)(COO){1|S<4>,3|C<3>,3|C<4>}	H(C[6]C[6,6]2H)	108.4590	0.000	1	108.4590	0.000	1	108.4590	0.000	1	108.9887	0.135	142	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)2(N[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6]N[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,5|H<1>}	C[6,6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)2(N[6]C[6]H){1|O<1>,2|C<4>,2|N<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9575	0.038	4	108.9575	0.001	4	109.0310	0.024	18	108.9887	0.135	142	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6]N[6])(C[6]N[6]HH)(H)2	C[6,6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)2(N[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6]N[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)2(N[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|N<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0520	0.169	14	109.0520	0.029	14	109.0310	0.024	18	108.9887	0.135	142	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[4,6]HH)(H)2	C[6,6](C[6,6]C[4,6,6]O)(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[4,6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[4,6,6]O)(C[6]C[6]HH)2(COO){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0925	0.549	2	108.2650	1.283	4	108.9873	0.205	63	108.9887	0.135	142	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[4,6]HH)(H)2	C[6,6](C[6,6]C[4,6,6]O)(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[4,6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[4,6,6]O)(C[6]C[6]HH)2(COO){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	107.4375	0.899	2	108.2650	1.283	4	108.9873	0.205	63	108.9887	0.135	142	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CCH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CCH){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1300	0.037	2	108.8010	0.066	6	108.9873	0.205	63	108.9887	0.135	142	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CCH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CCH){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6365	0.041	4	108.8010	0.066	6	108.9873	0.205	63	108.9887	0.135	142	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(COO){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2173	0.090	4	109.2467	0.050	12	108.9873	0.205	63	108.9887	0.135	142	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(COO){3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4455	0.040	2	109.2467	0.050	12	108.9873	0.205	63	108.9887	0.135	142	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(COO){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9330	0.021	2	109.2467	0.050	12	108.9873	0.205	63	108.9887	0.135	142	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(COO){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3335	0.267	4	109.2467	0.050	12	108.9873	0.205	63	108.9887	0.135	142	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)2(COO){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0785	0.009	2	109.0990	0.001	4	108.9873	0.205	63	108.9887	0.135	142	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)2(COO){3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1195	0.028	2	109.0990	0.001	4	108.9873	0.205	63	108.9887	0.135	142	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(COO){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4825	0.046	2	109.4825	0.002	2	108.9873	0.205	63	108.9887	0.135	142	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]HH)2(COO){1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1015	0.009	2	109.1015	0.000	2	108.9873	0.205	63	108.9887	0.135	142	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CCH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CCH){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4310	0.006	2	109.2830	0.016	6	108.9873	0.205	63	108.9887	0.135	142	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CCH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CCH){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2090	0.063	4	109.2830	0.016	6	108.9873	0.205	63	108.9887	0.135	142	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(COO){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9805	0.290	4	108.8632	0.084	12	108.9873	0.205	63	108.9887	0.135	142	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(COO){3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.3640	0.124	2	108.8632	0.084	12	108.9873	0.205	63	108.9887	0.135	142	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(COO){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0120	0.067	4	108.8632	0.084	12	108.9873	0.205	63	108.9887	0.135	142	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(COO){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8300	0.028	2	108.8632	0.084	12	108.9873	0.205	63	108.9887	0.135	142	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(COO){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1410	0.011	2	109.1727	0.002	4	108.9873	0.205	63	108.9887	0.135	142	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(COO){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2045	0.050	2	109.1727	0.002	4	108.9873	0.205	63	108.9887	0.135	142	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)2(COO){3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1350	0.000	1	109.1103	0.001	3	108.9873	0.205	63	108.9887	0.135	142	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)2(COO){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0980	0.031	2	109.1103	0.001	3	108.9873	0.205	63	108.9887	0.135	142	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(CNO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(CNO){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3150	0.006	2	109.3150	0.000	2	108.9873	0.205	63	108.9887	0.135	142	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.2520	0.047	4	108.2520	0.002	4	108.9873	0.205	63	108.9887	0.135	142	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[5,6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]HH)2(COO){1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0455	0.035	2	109.0455	0.001	2	108.9873	0.205	63	108.9887	0.135	142	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]HO)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]N[6]H)(C[6]C[6]HH)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]N[6]H)(C[6]C[6]HH)(COO){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1270	0.011	2	109.1270	0.000	2	109.1270	0.000	2	108.9887	0.135	142	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]CH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CO)(C[6]C[6]HH)(NCH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CO)(C[6]C[6]HH)(NCH){1|C<3>,1|N<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0095	0.016	2	109.0095	0.000	2	109.0095	0.000	2	108.9887	0.135	142	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]C[6]H){1|C<4>,1|P<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.6980	0.035	2	108.6980	0.001	2	109.0363	0.113	6	108.9887	0.135	142	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]2)(C[6]O[6]CH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]C[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]O[6]CH)(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9700	0.018	2	108.9700	0.000	2	109.0363	0.113	6	108.9887	0.135	142	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]2)(C[6]O[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]C[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]O[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4410	0.014	2	109.4410	0.000	2	109.0363	0.113	6	108.9887	0.135	142	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[5,6]C)(C[6]C[6]HH)2(C[6]O[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6]C[5,6]C)(C[6]C[6]HH)2(C[6]O[6]O){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9670	0.099	2	108.9670	0.010	2	109.3032	0.097	5	108.9887	0.135	142	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]O[6]HH)(H)2	C[6,6](C[6]C[6,6a]C)(C[6]C[6]HH)(C[6]N[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]O[6]HH)(H)2{1|N<3>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]C)(C[6]C[6]HH)(C[6]N[6]HH)(C[6]C[6]H){1|O<2>,1|S<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5273	0.011	3	109.5273	0.000	3	109.3032	0.097	5	108.9887	0.135	142	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]CH)(H)2	C[6,6](N[6]C[6a]C[6])(C[6]C[6]HH)2(C[6]C[6]N)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]CH)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](N[6]C[6a]C[6])(C[6]C[6]HH)2(C[6]C[6]N){1|C<2>,2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.2455	0.012	2	108.2455	0.000	2	108.6695	0.240	4	108.9887	0.135	142	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	C[6,6](N[6]C[6a]C[6])(C[6]C[6]HH)2(C[6]C[6]N)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](N[6]C[6a]C[6])(C[6]C[6]HH)2(C[6]C[6]N){1|C<2>,2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0935	0.023	2	109.0935	0.001	2	108.6695	0.240	4	108.9887	0.135	142	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6]N[6]2)(C[6]C[6]HH)(H)2	C[6,6](N[6]C[5,6]H)(C[6]C[6]HH)2(N[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]N[6]2)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,6|H<1>}	C[6,6](N[6]C[5,6]H)(C[6]C[6]HH)2(N[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0422	0.063	4	109.0422	0.004	4	109.0160	0.023	31	108.9887	0.135	142	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6]N[6]2)(C[6]C[6]HH)(H)2	C[6,6](N[6]C[6,6a]H)(C[6]C[6]HH)2(N[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]N[6]2)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,6|H<1>}	C[6,6](N[6]C[6,6a]H)(C[6]C[6]HH)2(N[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9905	0.112	10	109.0361	0.022	23	109.0160	0.023	31	108.9887	0.135	142	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6]N[6]2)(C[6]C[6]HH)(H)2	C[6,6](N[6]C[6,6a]H)(C[6]C[6]HH)2(N[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]N[6]2)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,6|H<1>}	C[6,6](N[6]C[6,6a]H)(C[6]C[6]HH)2(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0712	0.168	13	109.0361	0.022	23	109.0160	0.023	31	108.9887	0.135	142	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6]N[6]2)(C[6]S[6]HH)(H)2	C[6,6](N[6]C[6,6a]H)(C[6]C[6]HH)2(N[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]N[6]2)(C[6]S[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6,6](N[6]C[6,6a]H)(C[6]C[6]HH)2(N[6]C[6]H){1|O<1>,1|S<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8740	0.171	4	108.8740	0.029	4	109.0160	0.023	31	108.9887	0.135	142	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6,6]C[6]3)(H)2	C[6,6](C[6]C[6,6]C)(C[6]C[6]HH)(C[6]O[6]CC)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6]HH)(C[6,6]C[6]3)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[6,6](C[6]C[6,6]C)(C[6]C[6]HH)(C[6]O[6]CC)(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7890	0.598	6	108.7572	0.259	8	108.7572	0.259	8	108.9887	0.135	142	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6,6]C[6]3)(H)2	C[6,6](C[6]C[6,6]C)(C[6]C[6]HH)(C[6]O[6]CC)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6]HH)(C[6,6]C[6]3)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[6,6](C[6]C[6,6]C)(C[6]C[6]HH)(C[6]O[6]CC)(C[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.6620	0.040	2	108.7572	0.259	8	108.7572	0.259	8	108.9887	0.135	142	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2	C[6,6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]CH)(C[6]C[5,6]HH)(CH3)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]CH)(C[6]C[5,6]HH)(CH3){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6,6]H)	109.0100	0.011	2	109.0100	0.000	2	109.0100	0.000	2	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	P[6]-3:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2P[6])(H)2	C[6,6](P[6]C[6,6]C[6a])(C[6]C[5,6]HH)(C[6]C[6]HH)2	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2P[6])(H)2{1|C<3>,5|C<4>,6|H<1>}	C[6,6](P[6]C[6,6]C[6a])(C[6]C[5,6]HH)(C[6]C[6]HH)2{2|C<3>,2|O<2>,4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6,6]H)	107.7653	0.125	4	107.7653	0.016	4	107.7653	0.016	4	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]2)(C[5,6]C[5,6]C[5]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6]C[6]HH)2	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6a]C[6]2)(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6]C[6]HH)2{2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.1725	0.042	2	109.1725	0.002	2	109.1725	0.002	2	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]2H)(H)2{1|H<1>,1|O<1>,2|O<2>,6|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]CH)(CH3){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]2H)	108.6465	0.026	2	108.6465	0.001	2	108.6465	0.001	2	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.9953	0.147	6	108.9673	0.012	14	108.9673	0.012	14	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9462	0.079	8	108.9673	0.012	14	108.9673	0.012	14	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[3,6]HH)(H)2	C[6,6](C[3x6]C[3,6,6]C[6,6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[3,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[3,6,6]C[6,6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9420	0.006	2	108.9420	0.000	2	109.1475	0.064	4	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[4,4,6,6]C[6,6])(C[6]C[6]HH)(C[6]H[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[4,4,6,6]C[6,6])(C[6]C[6]HH)(C[6]H[6]HH)(CH3){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.3530	0.154	2	109.3530	0.024	2	109.1475	0.064	4	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,5,6]C[5,6])(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6])(C[6]C[6]HH)2(CH3){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8555	0.057	2	108.8555	0.003	2	108.8980	0.005	4	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,5,6]C[5,6])(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6])(C[6]C[6]HH)2(CH3){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9405	0.062	2	108.9405	0.004	2	108.8980	0.005	4	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[3,5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[5,6]C[3,5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.4400	0.010	2	109.4400	0.000	2	109.2172	0.026	29	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1935	0.028	2	109.1935	0.001	2	109.2172	0.026	29	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2365	0.088	4	109.2187	0.020	23	109.2172	0.026	29	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2602	0.042	4	109.2187	0.020	23	109.2172	0.026	29	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2660	0.000	1	109.2187	0.020	23	109.2172	0.026	29	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2925	0.009	2	109.2187	0.020	23	109.2172	0.026	29	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2062	0.194	10	109.2187	0.020	23	109.2172	0.026	29	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0650	0.031	2	109.2187	0.020	23	109.2172	0.026	29	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2160	0.000	1	109.2160	0.000	1	109.2172	0.026	29	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H)2	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7860	0.000	1	108.7860	0.000	1	109.2172	0.026	29	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)2(C[6]N[6]CH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)2(C[6]N[6]CH){2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.9843	0.246	4	108.9843	0.061	4	108.9843	0.061	4	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)2(CCHH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.3000	0.078	4	109.3000	0.006	4	109.3000	0.006	4	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[6,6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[5,6]C[6]H)(C[5]C[5]2H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|S<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[5,6]C[6]H)(C[5]C[5]2H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,4|C<3>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.5740	0.010	2	108.5740	0.000	2	108.5740	0.000	2	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2930	0.030	2	109.2930	0.001	2	109.1397	0.016	6	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6]C)(C[6]N[5,6]HH)(H)2	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6,6]C)(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,1|S<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0630	0.045	4	109.0630	0.002	4	109.1397	0.016	6	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6,6a]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6,6a]C[6]C)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2(CH3){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.4015	0.005	2	109.4015	0.000	2	109.4015	0.000	2	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[5,6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4392	0.458	6	109.4392	0.210	6	109.4392	0.210	6	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8105	0.036	2	108.8105	0.001	2	108.9378	0.101	105	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6]H)(H)2	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8320	0.028	3	108.8320	0.001	3	108.9378	0.101	105	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.7090	0.051	2	108.7090	0.003	2	108.9378	0.101	105	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[3,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8100	0.018	2	108.8100	0.000	2	108.9378	0.101	105	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[3x6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9518	0.088	4	108.9518	0.008	4	108.9378	0.101	105	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.6620	0.045	2	108.7703	0.016	4	108.9378	0.101	105	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){5|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.8785	0.015	2	108.7703	0.016	4	108.9378	0.101	105	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0344	0.155	5	108.9588	0.119	86	108.9378	0.101	105	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9366	0.193	7	108.9588	0.119	86	108.9378	0.101	105	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3080	0.062	2	108.9588	0.119	86	108.9378	0.101	105	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8075	0.010	4	108.9588	0.119	86	108.9378	0.101	105	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.2650	0.021	2	108.9588	0.119	86	108.9378	0.101	105	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.2360	0.000	1	108.9588	0.119	86	108.9378	0.101	105	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2225	0.012	2	108.9588	0.119	86	108.9378	0.101	105	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.1255	0.135	4	108.9588	0.119	86	108.9378	0.101	105	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.0790	0.035	2	108.9588	0.119	86	108.9378	0.101	105	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.9610	0.218	4	108.9588	0.119	86	108.9378	0.101	105	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7120	0.789	8	108.9588	0.119	86	108.9378	0.101	105	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0370	0.029	7	108.9588	0.119	86	108.9378	0.101	105	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8315	0.324	10	108.9588	0.119	86	108.9378	0.101	105	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.9440	0.070	4	108.9588	0.119	86	108.9378	0.101	105	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0995	0.035	2	108.9588	0.119	86	108.9378	0.101	105	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1025	0.050	2	108.9588	0.119	86	108.9378	0.101	105	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1448	0.134	4	108.9588	0.119	86	108.9378	0.101	105	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.0240	0.006	2	108.9588	0.119	86	108.9378	0.101	105	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.0505	0.015	2	108.9588	0.119	86	108.9378	0.101	105	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9605	0.033	4	108.9588	0.119	86	108.9378	0.101	105	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,4|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.1000	0.056	3	108.9588	0.119	86	108.9378	0.101	105	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1696	0.026	5	108.9588	0.119	86	108.9378	0.101	105	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9840	0.037	2	108.9840	0.001	2	108.9378	0.101	105	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,5,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,5,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.6685	0.036	2	108.6685	0.001	2	108.7982	0.543	118	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.3475	0.026	2	108.3475	0.001	2	108.7982	0.543	118	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CH3){1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0500	0.008	2	108.6959	0.098	13	108.7982	0.543	118	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6315	0.296	11	108.6959	0.098	13	108.7982	0.543	118	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[5,6])(C[6]C[6]HH)(C[6]O[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[5,6])(C[6]C[6]HH)(C[6]O[6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.5030	0.011	2	108.5030	0.000	2	108.7982	0.543	118	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3){1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2080	0.011	2	109.2080	0.000	2	108.7982	0.543	118	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,3|O<2>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.6125	0.050	2	109.1537	0.066	19	108.7982	0.543	118	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1555	0.019	2	109.1537	0.066	19	108.7982	0.543	118	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2272	0.258	8	109.1537	0.066	19	108.7982	0.543	118	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2237	0.091	7	109.1537	0.066	19	108.7982	0.543	118	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CH3){3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.6400	1.129	2	108.6400	1.274	2	108.7982	0.543	118	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){3|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	109.2000	0.075	2	109.2000	0.006	2	108.7982	0.543	118	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.6855	0.537	2	108.6855	0.288	2	108.7982	0.543	118	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(CH3){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2965	1.439	2	108.9025	1.190	4	108.7982	0.543	118	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(CH3){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.5085	0.937	2	108.9025	1.190	4	108.7982	0.543	118	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.3270	0.038	2	108.5916	0.055	8	108.7982	0.543	118	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.6052	0.207	4	108.5916	0.055	8	108.7982	0.543	118	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8290	0.008	2	108.5916	0.055	8	108.7982	0.543	118	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8485	0.009	2	109.0155	0.022	11	108.7982	0.543	118	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0526	0.136	9	109.0155	0.022	11	108.7982	0.543	118	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CH3){3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	105.8255	1.122	2	105.8255	1.259	2	108.7982	0.543	118	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.6620	0.000	1	108.2893	0.066	4	108.7982	0.543	118	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.1650	0.080	3	108.2893	0.066	4	108.7982	0.543	118	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1850	0.006	2	109.0900	0.051	12	108.7982	0.543	118	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1675	0.025	2	109.0900	0.051	12	108.7982	0.543	118	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1160	0.027	2	109.0900	0.051	12	108.7982	0.543	118	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.6135	0.013	2	109.0900	0.051	12	108.7982	0.543	118	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2290	0.022	4	109.0900	0.051	12	108.7982	0.543	118	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9945	0.008	2	108.8596	0.065	21	108.7982	0.543	118	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8340	0.016	2	108.8596	0.065	21	108.7982	0.543	118	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3){3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8693	0.052	3	108.8596	0.065	21	108.7982	0.543	118	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8180	0.000	1	108.8596	0.065	21	108.7982	0.543	118	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.5018	0.159	4	108.8596	0.065	21	108.7982	0.543	118	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3){1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2190	0.000	1	108.8596	0.065	21	108.7982	0.543	118	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3){1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.7368	0.039	4	108.8596	0.065	21	108.7982	0.543	118	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3){3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1990	0.047	4	108.8596	0.065	21	108.7982	0.543	118	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>,3|C<4>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2(CH3){2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.4185	2.872	4	108.4185	8.250	4	108.7982	0.543	118	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	107.9825	0.006	2	107.9825	0.000	2	108.7982	0.543	118	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CH3){1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7565	0.021	2	108.7565	0.000	2	108.7982	0.543	118	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]O[6]CC)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]O[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0550	0.861	2	109.0550	0.742	2	108.7982	0.543	118	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6,6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6,6]HH)(H)2{1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4610	0.026	4	108.4610	0.001	4	109.0492	0.218	232	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1890	0.020	2	108.9465	0.079	4	109.0492	0.218	232	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7040	0.014	2	108.9465	0.079	4	109.0492	0.218	232	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7460	0.163	4	108.8820	0.035	31	109.0492	0.218	232	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9790	0.011	2	108.8820	0.035	31	109.0492	0.218	232	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9355	0.841	2	108.8820	0.035	31	109.0492	0.218	232	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8858	0.104	13	108.8820	0.035	31	109.0492	0.218	232	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9660	0.025	2	108.8820	0.035	31	109.0492	0.218	232	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8852	0.041	8	108.8820	0.035	31	109.0492	0.218	232	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1320	0.017	2	109.1320	0.000	2	109.0492	0.218	232	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0965	0.018	2	109.0839	0.228	181	109.0492	0.218	232	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9710	0.000	1	109.0839	0.228	181	109.0492	0.218	232	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9920	0.000	2	109.0839	0.228	181	109.0492	0.218	232	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8620	0.014	2	109.0839	0.228	181	109.0492	0.218	232	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0855	0.019	2	109.0839	0.228	181	109.0492	0.218	232	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0850	0.000	1	109.0839	0.228	181	109.0492	0.218	232	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6835	0.081	4	109.0839	0.228	181	109.0492	0.218	232	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2415	0.025	2	109.0839	0.228	181	109.0492	0.218	232	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2760	0.114	7	109.0839	0.228	181	109.0492	0.218	232	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0880	0.000	1	109.0839	0.228	181	109.0492	0.218	232	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9288	0.037	4	109.0839	0.228	181	109.0492	0.218	232	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2770	0.082	6	109.0839	0.228	181	109.0492	0.218	232	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1957	0.037	3	109.0839	0.228	181	109.0492	0.218	232	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|N<3>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5650	2.110	2	109.0839	0.228	181	109.0492	0.218	232	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|Se<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0960	0.040	2	109.0839	0.228	181	109.0492	0.218	232	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6920	0.011	2	109.0839	0.228	181	109.0492	0.218	232	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,5|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7410	0.021	2	109.0839	0.228	181	109.0492	0.218	232	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|N<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0775	0.009	2	109.0839	0.228	181	109.0492	0.218	232	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1380	0.014	2	109.0839	0.228	181	109.0492	0.218	232	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9950	0.051	2	109.0839	0.228	181	109.0492	0.218	232	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2087	0.222	4	109.0839	0.228	181	109.0492	0.218	232	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1435	0.168	35	109.0839	0.228	181	109.0492	0.218	232	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0766	0.235	9	109.0839	0.228	181	109.0492	0.218	232	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1045	0.057	2	109.0839	0.228	181	109.0492	0.218	232	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0010	0.031	4	109.0839	0.228	181	109.0492	0.218	232	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9598	0.208	62	109.0839	0.228	181	109.0492	0.218	232	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.5236	1.539	12	109.0839	0.228	181	109.0492	0.218	232	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3520	0.167	2	109.0839	0.228	181	109.0492	0.218	232	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]N[5,6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0207	0.062	4	109.0207	0.004	4	109.0492	0.218	232	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]N[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]HH)(CH3){1|C<4>,1|N<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0940	2.237	2	109.0940	5.005	2	109.0492	0.218	232	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]O[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4245	0.033	2	109.4245	0.001	2	109.0492	0.218	232	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]O[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.4280	0.006	2	109.4280	0.000	2	109.0492	0.218	232	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[5,6]HH)(H)2{2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6]C[6]HH)2{2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7810	0.018	2	108.7810	0.000	2	108.9420	0.038	13	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6]C[6]HH)2{2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9875	0.011	2	108.9875	0.000	2	108.9420	0.038	13	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]N[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]N[6]HH){1|C<4>,1|O<2>,1|S<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2560	0.000	1	109.2560	0.000	1	108.9420	0.038	13	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6a]O[6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]N[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6a]O[6]H)(H)2{1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]N[6]HH){1|C<4>,1|O<2>,1|S<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.7477	0.080	4	108.7477	0.006	4	108.9420	0.038	13	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]2)(C[6]O[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]N[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]O[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]N[6]HH){1|C<4>,1|O<2>,1|S<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1155	0.070	4	109.1155	0.005	4	108.9420	0.038	13	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[5,6,6]C)(C[6]C[6]HH)2(C[6]O[6]CC)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6]C[5,6,6]C)(C[6]C[6]HH)2(C[6]O[6]CC){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9890	0.017	2	108.9890	0.000	2	108.9890	0.000	2	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,5|H<1>}	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]HH)2(CH3){1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.4410	1.020	4	108.4410	1.041	4	108.4410	1.041	4	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[5,6]HH)(H)2	C[6,6](N[6]C[5,6]H)(C[6]C[6]HH)2(C[6]N[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[5,6]HH)(H)2{1|N<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](N[6]C[5,6]H)(C[6]C[6]HH)2(C[6]N[6]HH){4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0545	0.151	4	109.0545	0.023	4	109.5251	6.287	30	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]CH)(H)2	C[6,6](N[6]C[6,6a]C)(C[6]C[6]HH)3	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]CH)(H)2{2|C<4>,3|C<3>,4|H<1>}	C[6,6](N[6]C[6,6a]C)(C[6]C[6]HH)3{2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	111.7110	7.044	2	111.7110	49.621	2	109.5251	6.287	30	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	C[6,6](N[6]C[6,6]O)(C[6]C[6]HH)3	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6,6](N[6]C[6,6]O)(C[6]C[6]HH)3{1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0538	0.056	6	109.0556	0.005	10	109.5251	6.287	30	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	C[6,6](N[6]C[6,6]O)(C[6]C[6]HH)3	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,6|H<1>}	C[6,6](N[6]C[6,6]O)(C[6]C[6]HH)3{1|N<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0583	0.092	4	109.0556	0.005	10	109.5251	6.287	30	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	C[6,6](N[6]C[6,6a]C)(C[6]C[6]HH)3	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[6,6](N[6]C[6,6a]C)(C[6]C[6]HH)3{2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	111.5420	5.775	4	111.5420	33.351	4	109.5251	6.287	30	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	C[6,6](N[6]N[5a,6]H)(C[6]C[6]HH)2(C[6]S[6]CH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|S<2>,6|H<1>}	C[6,6](N[6]N[5a,6]H)(C[6]C[6]HH)2(C[6]S[6]CH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9236	0.161	8	108.9236	0.026	8	109.5251	6.287	30	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HN)(H)2	C[6,6](N[6]C[6,6]O)(C[6]C[6]HH)3	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HN)(H)2{1|O<1>,3|C<4>,6|H<1>}	C[6,6](N[6]C[6,6]O)(C[6]C[6]HH)3{1|N<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9995	0.036	2	108.9995	0.001	2	109.5251	6.287	30	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	P[6]-3:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2P[6])(C[6]C[6]HH)(H)2	C[6,6](P[6]C[6,6]C[6a])(C[6]C[5,6]HH)(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2P[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[6,6](P[6]C[6,6]C[6a])(C[6]C[5,6]HH)(C[6]C[6]HH)2{2|C<3>,2|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9667	0.172	6	108.9667	0.030	6	108.9667	0.030	6	108.9982	0.570	595	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(O[6]C[5a,6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(O[6]C[5a,6])(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2240	0.000	1	109.2240	0.000	1	109.2207	0.000	3	109.1640	0.565	27	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2190	0.023	2	109.2190	0.001	2	109.2207	0.000	3	109.1640	0.565	27	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.7640	0.034	2	109.7640	0.001	2	109.7640	0.001	2	109.1640	0.565	27	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[6,6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]O[6,6]H)(C[6]C[6]CC)(H)2	C[6,6](C[5,6]C[5,6]O[5]H)(O[6,6]C[6,6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]O[6,6]H)(C[6]C[6]CC)(H)2{2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[5,6]C[5,6]O[5]H)(O[6,6]C[6,6])(C[6]C[6]HH)(H){1|H<1>,2|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9000	0.024	2	108.9000	0.001	2	108.9000	0.001	2	109.1640	0.565	27	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a])(C[6]C[6]HH)(H){2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9270	0.045	2	108.9270	0.002	2	108.3768	0.404	4	109.1640	0.565	27	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	107.8265	0.018	2	107.8265	0.000	2	108.3768	0.404	4	109.1640	0.565	27	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O[6,6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(O[6,6]C[6,6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6,6]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(O[6,6]C[6,6])(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	107.4270	0.563	2	107.4270	0.317	2	107.4270	0.317	2	109.1640	0.565	27	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[5,6,6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[5,6,6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1030	0.000	1	109.1030	0.000	1	109.5592	0.123	12	109.1640	0.565	27	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]O[6]H)(O[6]C[5,6,6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]O[6]H)(O[6]C[5,6,6])(C[6]C[6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.9385	0.074	4	109.9385	0.005	4	109.5592	0.123	12	109.1640	0.565	27	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2572	0.037	4	109.2592	0.001	5	109.5592	0.123	12	109.1640	0.565	27	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2670	0.000	1	109.2592	0.001	5	109.5592	0.123	12	109.1640	0.565	27	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.7785	0.006	2	109.7785	0.000	2	109.5592	0.123	12	109.1640	0.565	27	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:S[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(S[6]C[6,6a])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(S[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.6830	0.023	2	109.6830	0.001	2	109.6830	0.001	2	109.1640	0.565	27	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:2:4:2:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:O[6]-2:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]O[6]2)(H)2	C[6,6](C[6]C[5,6]HH)(O[6]C[6,6a])(C[6]C[6]CH)(O[6]C[6])	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]O[6]2)(H)2{2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6]C[5,6]HH)(O[6]C[6,6a])(C[6]C[6]CH)(O[6]C[6]){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6,6]H)	108.9523	0.060	12	108.9523	0.004	12	108.9523	0.004	12	109.0848	0.093	32	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:2:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:O[6]-2:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[5,6]O[6]2)(C[6]C[6]HO)(H)2	C[6,6](C[5,6]C[5,6,6]C[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]O[6]2)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(O[6]C[6]){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4430	0.007	2	109.4430	0.000	2	109.4430	0.000	2	109.0848	0.093	32	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:2:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(C[6]C[6]HH)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.6635	0.021	2	109.3942	0.097	4	109.1334	0.137	18	109.0848	0.093	32	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:2:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(C[6]C[6]HH)(OH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1250	0.040	2	109.3942	0.097	4	109.1334	0.137	18	109.0848	0.093	32	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:2:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(OH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1535	0.022	2	109.1535	0.000	2	109.1334	0.137	18	109.0848	0.093	32	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:2:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(OH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0087	0.056	6	109.0087	0.003	6	109.1334	0.137	18	109.0848	0.093	32	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:2:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(OH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9365	0.028	2	108.7310	0.067	4	109.1334	0.137	18	109.0848	0.093	32	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:2:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(OH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.5255	0.173	2	108.7310	0.067	4	109.1334	0.137	18	109.0848	0.093	32	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:2:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]O[6]2O)(O[6]C[6,6a])(C[6]C[6]HH)(OC[6a])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|O<2>}	C[6,6](C[6,6]O[6]2O)(O[6]C[6,6a])(C[6]C[6]HH)(OC[6a]){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.7705	0.012	2	109.7705	0.000	2	109.1334	0.137	18	109.0848	0.093	32	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:2:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(COO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1925	0.021	2	109.1925	0.000	2	109.1925	0.000	2	109.1642	0.001	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:2:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(N[6]C[6]2)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(N[6]C[6]2){1|N<3>,2|C<3>,3|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	109.1255	0.026	2	109.1255	0.001	2	109.1255	0.001	2	109.1642	0.001	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:2:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[5a,6]HH)(H)2	C[6,6](C[6]C[5a,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[5a,6]HH)(H)2{1|N<3>,3|C<3>,3|H<1>}	C[6,6](C[6]C[5a,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H){1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1745	0.022	2	109.1745	0.000	2	109.1745	0.000	2	109.1642	0.001	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4,6,6]-4:O[6]-2:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[4,6,6]O[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4,6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[4,6,6]C[4,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3432	0.074	5	109.3432	0.006	5	109.3432	0.006	5	108.9042	0.356	73	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[6]-2:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]O[6]C)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]O[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.4803	0.171	3	108.5672	0.029	5	108.5672	0.029	5	108.9042	0.356	73	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:O[6]-2:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]O[6]C)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]O[6]C)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6975	0.040	2	108.5672	0.029	5	108.5672	0.029	5	108.9042	0.356	73	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[3x6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	107.5593	1.026	7	107.5593	1.053	7	108.8047	0.459	49	108.9042	0.356	73	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8175	0.053	2	108.8175	0.003	2	108.8047	0.459	49	108.9042	0.356	73	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9865	0.294	15	108.9991	0.086	19	108.8047	0.459	49	108.9042	0.356	73	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0460	0.332	4	108.9991	0.086	19	108.8047	0.459	49	108.9042	0.356	73	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	108.6120	0.028	2	108.6120	0.001	2	108.8047	0.459	49	108.9042	0.356	73	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(CCCH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(CCCH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8470	0.014	2	108.8470	0.000	2	108.8047	0.459	49	108.9042	0.356	73	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0287	0.148	3	108.9022	0.041	5	108.8047	0.459	49	108.9042	0.356	73	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7125	0.005	2	108.9022	0.041	5	108.8047	0.459	49	108.9042	0.356	73	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]HO)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6]HO)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0267	0.057	4	109.0267	0.003	4	108.8047	0.459	49	108.9042	0.356	73	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4710	0.000	1	109.2952	0.020	8	108.8047	0.459	49	108.9042	0.356	73	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|F<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0190	0.000	1	109.2952	0.020	8	108.8047	0.459	49	108.9042	0.356	73	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|I<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2837	0.111	3	109.2952	0.020	8	108.8047	0.459	49	108.9042	0.356	73	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3220	0.000	1	109.2952	0.020	8	108.8047	0.459	49	108.9042	0.356	73	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3495	0.012	2	109.2952	0.020	8	108.8047	0.459	49	108.9042	0.356	73	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:S[6]-2:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]S[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]N[6,6]O[6]H)(S[6]C[6,6a])(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]S[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6,6](C[6,6]N[6,6]O[6]H)(S[6]C[6,6a])(C[6]C[6]HH)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2051	0.081	7	109.2051	0.007	7	109.2051	0.007	7	108.9042	0.356	73	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]N[6]O[6]H)(O[6]C[6,6a])(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6,6](C[6]N[6]O[6]H)(O[6]C[6,6a])(C[6]C[6]HH)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2273	0.076	7	109.2273	0.006	7	109.2273	0.006	7	108.9042	0.356	73	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]HH)(C[6]C[6]H)(O[6]C[6])2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6]C[6]HH)(C[6]C[6]H)(O[6]C[6])2{4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4178	0.303	6	109.4178	0.092	6	109.4178	0.092	6	109.4178	0.092	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:2:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O[6]-2:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(O[6]C[6,6a])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(O[6]C[6,6a])(C[6]C[6]HH){3|H<1>,6|C<3>}	H(C[6]C[6,6]C[6]H)	109.3310	0.004	2	109.3310	0.000	2	109.3310	0.000	2	109.3310	0.000	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[3,5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6,6]N[6,6]C[6]H)(H)2	C[6,6](C[6]C[3,5,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[3,5,6]C[6,6]H)	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6,6]N[6,6]C[6]H)(H)2{1|C<3>,2|H<1>,6|C<4>}	C[6,6](C[6]C[3,5,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[3,5,6]C[6,6]H)	109.3570	0.059	2	109.3570	0.004	2	109.3570	0.004	2	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[3,6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]N[6,6]C[6]H)(H)2	C[6,6](C[6]C[3,6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[3,6,6]C[6,6]H)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]N[6,6]C[6]H)(H)2{1|C<3>,2|H<1>,6|C<4>}	C[6,6](C[6]C[3,6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[3,6,6]C[6,6]H)	108.6135	0.015	2	108.6135	0.000	2	108.6135	0.000	2	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H)	H(C[6]C[3,6]C[6,6]H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2{1|C<3>,5|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H){1|C<3>,3|C<4>,3|O<2>,5|H<1>}	H(C[6]C[3,6]C[6,6]H)	108.9040	0.175	4	108.9478	0.023	6	108.9478	0.023	6	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H)	H(C[6]C[3,6]C[6,6]H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2{3|C<3>,3|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H){1|O<1>,3|H<1>,3|O<2>,4|C<4>}	H(C[6]C[3,6]C[6,6]H)	109.0355	0.029	2	108.9478	0.023	6	108.9478	0.023	6	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[6a]O[3])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6]C[3,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[3,6]C[6,6]H)	C[6](C[3,6]C[3,6]C[6a]O[3])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6]C[3,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	H(C[6]C[3,6]C[6,6]H)	108.8725	0.047	2	108.8725	0.002	2	108.8725	0.002	2	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]2H)(H)2{1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|O<2>,4|H<1>,7|C<4>}	H(C[6]C[5,6]C[6,6]H)	108.5918	0.037	4	108.5918	0.001	4	108.5918	0.001	4	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[5,5,6]C[5,6]H)(C[6]C[5,6,6]O)(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,5,6]C[5,6]H)(C[6]C[5,6,6]O)(C[6]C[5,6]HH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6,6]H)	109.5560	0.008	2	109.5560	0.000	2	109.5560	0.000	2	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{2|H<1>,3|C<4>,4|C<3>}	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.8760	0.023	2	109.8760	0.001	2	109.5408	0.304	6	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6,6]H)	108.8300	0.028	2	108.8300	0.001	2	109.5408	0.304	6	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|Br<1>,1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.9165	0.045	2	109.9165	0.002	2	109.5408	0.304	6	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]N[6,6]C[6]H)(H)2	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]N[6,6]C[6]H)(H)2{1|N<3>,2|H<1>,7|C<4>}	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|O<2>,4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.4327	0.036	6	109.4219	0.001	8	109.4219	0.001	8	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]N[6,6]C[6]H)(H)2	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]N[6,6]C[6]H)(H)2{1|O<2>,2|H<1>,7|C<4>}	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.3895	0.015	2	109.4219	0.001	8	109.4219	0.001	8	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:B[6]-4:H-1:H-1:	P[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]P[6]H)(B[6]C[6a]2O[6])(H)2	C[6,6](P[6]C[6a]2C[6])(C[6,6]C[6]2)(C[6]B[6]HH)(H)	H(C[6]C[6,6]B[6]H)	C[6](C[6,6]C[6,6]P[6]H)(B[6]C[6a]2O[6])(H)2{1|C<4>,8|C<3>}	C[6,6](P[6]C[6a]2C[6])(C[6,6]C[6]2)(C[6]B[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,7|C<3>}	H(C[6]C[6,6]B[6]H)	110.1635	0.015	2	110.1635	0.000	2	110.1635	0.000	2	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6,6]H)	108.6515	0.845	2	109.0150	0.722	4	108.9755	0.437	6	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6,6]H)	109.3785	0.961	2	109.0150	0.722	4	108.9755	0.437	6	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]2)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]2)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>,3|O<2>}	H(C[6]C[5,6]C[6,6]H)	108.8965	0.037	2	108.8965	0.001	2	108.9755	0.437	6	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]O[5,6]C[5]H)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]O[5,6]C[5]H)(H)2{3|C<3>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H){2|C<3>,2|O<2>,3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6,6]H)	109.7640	0.055	2	109.7640	0.003	2	109.7640	0.003	2	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5a,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5a,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5,6,6]C[5a,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,1|N<4>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H){1|N<4>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]2H)	109.1610	0.021	2	109.1610	0.000	2	109.1610	0.000	2	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)2(H)2	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)2(H)2{1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]2H)	107.7840	0.635	2	108.6245	0.246	10	108.6245	0.246	10	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)2(H)2	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)2(H)2{2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6]2H)	108.8346	0.083	8	108.6245	0.246	10	108.6245	0.246	10	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]N[6,6]C[6]H)(H)2	C[6,6](C[6]C[6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]N[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>,6|C<4>}	C[6,6](C[6]C[6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]2H)	109.2635	0.025	2	109.2635	0.001	2	109.2635	0.001	2	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.5110	0.028	2	108.5110	0.001	2	108.5110	0.001	2	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]N[5,6]HH)(H)2	C[6,6](C[3,6,6]C[5,6,6]C[3]O[3])(C[6]C[5,6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]N[5,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[3,6,6]C[5,6,6]C[3]O[3])(C[6]C[5,6]C)(C[6]C[6]HH)(H){2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.6850	0.061	2	109.6850	0.004	2	109.6850	0.004	2	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	C[6,6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2)(C[6]C[6]HH)(H){10|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2515	0.023	2	109.2515	0.001	2	109.3431	0.035	10	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<2>,2|O<1>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.4825	0.016	2	109.4748	0.001	6	109.3431	0.035	10	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<3>,2|O<1>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.4710	0.040	4	109.4748	0.001	6	109.3431	0.035	10	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]N[6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]N)(C[6,6]C[6,6]N)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]N[6]HH)(H)2{1|N<2>,1|N<3>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]N)(C[6,6]C[6,6]N)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|N<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0395	0.040	2	109.0395	0.002	2	109.3431	0.035	10	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[3x6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[3x6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.6840	0.033	2	109.6840	0.001	2	109.6840	0.001	2	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]N[6,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|N<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]N[6,6]O)(C[6]C[6]HH)(H){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.6190	0.044	2	109.6190	0.002	2	109.6190	0.002	2	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[4x6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[4x6]C[5,3x6]C[6,6]2)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4x6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	C[6,6](C[4x6]C[5,3x6]C[6,6]2)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){2|O<2>,4|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	109.5760	0.000	1	109.5760	0.000	1	109.5880	0.003	3	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[4x6]C[5,3x6]C[6,6]2)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[4x6]C[5,3x6]C[6,6]2)(C[6,6]C[6]2)(C[6]C[6]HH)(H){10|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.5940	0.078	2	109.5940	0.006	2	109.5880	0.003	3	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6,6]H)(C[6]C[6]HH)(H){2|N<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.4135	0.797	4	109.4135	0.635	4	109.4135	0.635	4	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,5,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,5,6]C[5,5,6]N[5]O[5])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[5,5,6]C[5,5,6]N[5]O[5])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0725	0.043	2	109.0725	0.002	2	109.0725	0.002	2	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.2390	0.572	3	109.2390	0.327	3	109.1035	0.291	4	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.6970	0.000	1	108.6970	0.000	1	109.1035	0.291	4	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9950	0.050	3	108.9955	0.002	4	109.0094	0.104	7	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9970	0.000	1	108.9955	0.002	4	109.0094	0.104	7	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6,6a]C[6a]H)(H)2	C[6,6](C[5,6,6]C[6,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6,6a]C[6a]H)(H)2{1|C<4>,1|N<3>,6|C<3>}	C[6,6](C[5,6,6]C[6,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){2|C<4>,3|H<1>,7|C<3>}	H(C[6]C[6,6]C[6]H)	108.7070	0.013	2	108.7070	0.000	2	109.0094	0.104	7	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[5,6,6]C[6,6a]C[5,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,4|C<3>}	C[6,6](C[5,6,6]C[6,6a]C[5,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|O<2>,3|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	109.6700	0.000	1	109.6700	0.000	1	109.0094	0.104	7	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6,6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6,6]C)(C[6]C[6]HH)(H){4|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	108.8335	0.005	2	108.8335	0.000	2	108.9630	0.021	6	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6a]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9100	0.004	2	108.9100	0.000	2	108.9630	0.021	6	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1455	0.026	2	109.1455	0.001	2	108.9630	0.021	6	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]N[6,6]H)(C[6]C[6,6a]N[5]H)(H)2	C[6,6](C[5,6,6]C[5,5,6,6]O[5,6]O)(N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]N[6,6]H)(C[6]C[6,6a]N[5]H)(H)2{2|C<4>,2|O<2>,4|C<3>}	C[6,6](C[5,6,6]C[5,5,6,6]O[5,6]O)(N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	110.2070	0.027	2	110.2070	0.001	2	109.2845	1.135	4	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]N[6,6]H)(C[6]C[6]HO)(H)2	C[6,6](C[5,6,6]C[5,6,6]O[5]C)(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]N[6,6]H)(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6,6]O[5]C)(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.3620	0.004	2	108.3620	0.000	2	109.2845	1.135	4	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:N[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[5,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.8105	0.008	2	108.8105	0.000	2	108.8105	0.000	2	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1980	0.039	4	109.2438	0.006	6	109.2588	0.005	8	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,1|S<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3355	0.011	2	109.2438	0.006	6	109.2588	0.005	8	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5]2C[6])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6]C[5]2C[6])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3035	0.008	2	109.3035	0.000	2	109.2588	0.005	8	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5a,6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	109.7055	0.021	2	109.7055	0.000	2	109.7055	0.000	2	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.8405	1.749	2	109.5070	0.510	22	109.2975	0.320	65	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.9275	0.352	4	109.5070	0.510	22	109.2975	0.320	65	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0830	0.033	2	109.5070	0.510	22	109.2975	0.320	65	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3585	1.582	2	109.5070	0.510	22	109.2975	0.320	65	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4460	0.008	2	109.5070	0.510	22	109.2975	0.320	65	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){3|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9415	0.011	2	109.5070	0.510	22	109.2975	0.320	65	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	110.0575	0.048	4	109.5070	0.510	22	109.2975	0.320	65	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.9690	0.171	4	109.5070	0.510	22	109.2975	0.320	65	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.6280	0.000	1	109.6280	0.000	1	109.2975	0.320	65	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<2>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.2695	0.052	2	109.2695	0.003	2	109.2975	0.320	65	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,1|S<3>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.7945	0.009	2	109.4403	0.036	16	109.2975	0.320	65	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5500	0.025	2	109.4403	0.036	16	109.2975	0.320	65	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4310	0.011	2	109.4403	0.036	16	109.2975	0.320	65	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){1|Br<1>,2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.5055	0.021	2	109.4403	0.036	16	109.2975	0.320	65	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){1|Cl<1>,2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2240	0.033	3	109.4403	0.036	16	109.2975	0.320	65	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3640	0.033	2	109.4403	0.036	16	109.2975	0.320	65	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){2|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2485	0.056	2	109.4403	0.036	16	109.2975	0.320	65	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){3|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.5860	0.000	1	109.4403	0.036	16	109.2975	0.320	65	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2085	0.549	2	109.2085	0.302	2	109.2975	0.320	65	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.6575	0.008	2	109.6575	0.000	2	109.2975	0.320	65	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0418	0.071	4	109.0418	0.005	4	109.2975	0.320	65	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|B<3>,1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.7890	0.085	2	109.7890	0.007	2	109.2975	0.320	65	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.7115	0.066	2	109.7115	0.004	2	109.2975	0.320	65	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6,6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.4922	0.139	4	108.4922	0.019	4	109.2975	0.320	65	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.6953	0.049	4	108.6953	0.002	4	109.2975	0.320	65	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.5645	0.015	2	108.5645	0.000	2	109.2975	0.320	65	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]O[5,6]C[6a]C[5])(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[5,6]O[5,6]C[6a]C[5])(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.5970	0.004	2	108.5970	0.000	2	109.2975	0.320	65	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	110.2680	0.337	2	109.6362	0.263	6	109.6362	0.263	6	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	109.3445	0.009	2	109.6362	0.263	6	109.6362	0.263	6	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.2960	0.040	2	109.6362	0.263	6	109.6362	0.263	6	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[3x6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[3x6]C[6]H)(C[3x6]C[6,6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[3x6]C[6,6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	109.1865	0.035	2	109.1865	0.001	2	109.1865	0.001	2	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[4x6]HH)(H)2	C[6,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[4x6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.0590	0.152	3	109.0590	0.023	3	109.4427	0.264	7	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.2945	0.069	2	109.2945	0.005	2	109.4427	0.264	7	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{2|C<4>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	110.1665	0.019	2	110.1665	0.000	2	109.4427	0.264	7	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6]O[6]CC)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6]O[6]CC)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(H){1|H<1>,3|C<3>,3|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3435	0.018	2	109.3435	0.000	2	109.3435	0.000	2	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[3,5,6]CH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[3,5,6]CH)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.7760	0.037	2	108.7760	0.001	2	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[3,5,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[3,5,6]HH)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1890	0.013	2	109.1890	0.000	2	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8137	0.025	4	108.8137	0.001	4	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	110.6490	0.897	2	109.9755	0.873	4	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3020	0.044	2	109.9755	0.873	4	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.5512	0.071	4	108.7566	0.272	49	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8392	0.106	4	108.7566	0.272	49	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.6540	0.006	2	108.7566	0.272	49	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.2620	0.066	2	108.7566	0.272	49	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|O<2>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.2592	0.020	5	108.7566	0.272	49	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.7320	0.280	4	108.7566	0.272	49	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.3882	0.305	17	108.7566	0.272	49	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9325	0.611	4	108.7566	0.272	49	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.9435	0.459	2	108.7566	0.272	49	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{3|C<4>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,2|O<1>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1933	0.276	3	108.7566	0.272	49	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{3|C<4>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){2|O<1>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.3290	1.162	2	108.7566	0.272	49	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.5440	0.000	1	109.4640	0.005	3	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<4>,2|O<2>,3|C<3>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.4240	0.018	2	109.4640	0.005	3	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|S<2>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.1080	0.048	2	109.1080	0.002	2	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6,6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6,6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9820	0.051	2	108.9820	0.003	2	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.0125	0.013	2	109.1011	0.290	13	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	110.2510	0.188	2	109.1011	0.290	13	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<1>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8652	0.188	9	109.1011	0.290	13	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8675	0.026	2	108.9733	0.034	3	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1850	0.000	1	108.9733	0.034	3	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<2>,4|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.5625	0.032	2	109.5625	0.001	2	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){1|Br<1>,2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4968	0.045	4	109.4968	0.002	4	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2{3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.5535	0.111	4	109.5535	0.012	4	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5600	0.006	2	109.5600	0.000	2	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.0355	0.015	2	109.0355	0.000	2	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.6750	0.024	2	109.4601	2.486	62	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.3830	0.000	1	109.4601	2.486	62	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.5990	0.013	2	109.4601	2.486	62	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.9481	0.255	14	109.4601	2.486	62	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	116.1490	6.729	2	109.4601	2.486	62	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4440	0.078	2	109.4601	2.486	62	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.8470	0.018	2	109.4601	2.486	62	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4125	1.077	8	109.4601	2.486	62	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.5325	0.012	2	109.4601	2.486	62	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.7195	0.029	2	109.4601	2.486	62	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.9470	0.040	2	109.4601	2.486	62	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.3540	0.105	8	109.4601	2.486	62	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.1815	0.326	14	109.4601	2.486	62	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3730	0.000	1	109.4601	2.486	62	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.1449	0.681	29	109.1614	0.372	38	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|F<1>,2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1860	0.000	1	109.1614	0.372	38	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4835	0.067	2	109.1614	0.372	38	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.8150	0.023	2	109.1614	0.372	38	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0585	0.129	2	109.1614	0.372	38	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.5160	0.018	2	109.1614	0.372	38	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]3)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]3)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<2>,1|O<1>,2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8770	0.028	2	108.8770	0.001	2	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]O[6])(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6]O[6])(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3840	0.000	1	109.3840	0.000	1	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.2980	0.007	2	109.5284	0.079	29	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2890	0.072	2	109.5284	0.079	29	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.6431	0.194	21	109.5284	0.079	29	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2{3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1612	0.374	4	109.5284	0.079	29	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6a]O[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6a]O[6]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	111.1090	0.789	2	111.1090	0.623	2	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]O[6]CH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]O[6]CH)(H)2{2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.5990	0.000	1	109.5648	0.094	9	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]O[6]CH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]O[6]CH)(H)2{2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.5605	0.327	8	109.5648	0.094	9	109.2486	0.912	241	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:Cl-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6]ClH)(H)2	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]HH)(Cl)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6]ClH)(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]HH)(Cl){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.7515	0.018	2	109.7515	0.000	2	109.7515	0.000	2	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]N[5,6]H)(C[6]C[5,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6]N[5,6]H)(C[6]C[5,6]O)(C[6]C[6]HH)(H){1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1180	0.027	4	109.1180	0.001	4	109.2143	0.685	38	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]HH)(H){2|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.4625	0.006	2	109.4625	0.000	2	109.2143	0.685	38	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]N)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]N)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	107.9515	2.630	2	107.9515	6.915	2	109.2143	0.685	38	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]N)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]N)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,2|N<3>}	H(C[6]C[6,6]C[6]H)	109.0325	0.009	2	109.0325	0.000	2	109.2143	0.685	38	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3380	0.000	1	109.3380	0.000	1	109.2143	0.685	38	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|O<1>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6a]O)(C[6]C[6]HH)(H){1|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2220	0.055	3	109.2220	0.003	3	109.2143	0.685	38	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]O)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0940	0.102	2	109.0940	0.010	2	109.2143	0.685	38	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4300	0.034	2	109.4300	0.001	2	109.2143	0.685	38	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	107.5570	0.694	2	107.5570	0.482	2	109.2143	0.685	38	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1965	0.030	2	109.1965	0.001	2	109.2143	0.685	38	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4513	0.094	4	109.4227	0.007	6	109.2143	0.685	38	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3655	0.012	2	109.4227	0.007	6	109.2143	0.685	38	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]C)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2810	0.021	2	109.2810	0.000	2	109.2143	0.685	38	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>,3|O<2>}	H(C[6]C[6,6]C[6]H)	109.4245	0.042	4	109.4245	0.002	4	109.2143	0.685	38	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]CO)(C[6]C[5,6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]CO)(C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<4>,2|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	110.5855	1.343	2	110.5855	1.803	2	109.2143	0.685	38	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]HH)(H)2	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[3,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[3,6]O)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.6270	1.577	2	109.6270	2.486	2	109.2143	0.685	38	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[3,6]C[3x6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[3,6]C[3x6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3985	0.019	2	109.3985	0.000	2	109.2124	1.067	66	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|N<3>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.1743	0.197	4	109.1743	0.039	4	109.2124	1.067	66	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.5160	0.020	2	109.3364	0.027	27	109.2124	1.067	66	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.2565	0.149	11	109.3364	0.027	27	109.2124	1.067	66	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<4>,1|O<1>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.4990	0.230	4	109.3364	0.027	27	109.2124	1.067	66	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.3755	0.008	2	109.3364	0.027	27	109.2124	1.067	66	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.2635	0.005	2	109.3364	0.027	27	109.2124	1.067	66	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,1|N<4>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.4580	0.007	2	109.3364	0.027	27	109.2124	1.067	66	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	109.2600	0.066	4	109.3364	0.027	27	109.2124	1.067	66	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	107.4995	2.286	2	109.0904	2.251	31	109.2124	1.067	66	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.3028	0.180	4	109.0904	2.251	31	109.2124	1.067	66	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<4>,1|O<1>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.6125	0.052	2	109.0904	2.251	31	109.2124	1.067	66	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,2|O<1>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1562	0.950	6	109.0904	2.251	31	109.2124	1.067	66	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){10|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.4680	3.200	4	109.0904	2.251	31	109.2124	1.067	66	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.3300	0.139	11	109.0904	2.251	31	109.2124	1.067	66	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<2>,1|N<3>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	107.4645	3.804	2	109.0904	2.251	31	109.2124	1.067	66	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HS)(H)2	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HS)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|S<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3205	0.063	2	109.3205	0.004	2	109.2124	1.067	66	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(N[6]C[5a,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(N[6]C[5a,6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4050	0.132	4	109.4050	0.017	4	109.0727	0.312	32	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H){2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8880	0.000	1	108.8880	0.000	1	109.0727	0.312	32	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]H)(C[6]C[6]HH)(H){2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8955	0.012	2	108.8955	0.000	2	109.0727	0.312	32	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(C[6]C[6]HH)(H){3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.5457	1.166	4	108.5457	1.359	4	109.0727	0.312	32	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1070	0.017	2	109.1070	0.000	2	109.0727	0.312	32	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0910	0.509	10	109.0910	0.259	10	109.0727	0.312	32	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|S<4>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.2740	0.000	1	109.0634	0.149	7	109.0727	0.312	32	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H){1|S<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1950	0.184	6	109.0634	0.149	7	109.0727	0.312	32	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]S[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,1|S<4>,3|H<1>}	C[6,6](C[6,6]C[6]S[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.6385	0.023	2	109.6385	0.001	2	109.0727	0.312	32	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9860	0.017	2	108.9860	0.000	2	108.8616	0.239	132	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.4651	0.155	10	108.4651	0.024	10	108.8616	0.239	132	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3380	0.008	2	109.3380	0.000	2	108.8616	0.239	132	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|Br<1>,1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0015	0.073	2	109.0572	0.006	4	108.8616	0.239	132	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1130	0.024	2	109.0572	0.006	4	108.8616	0.239	132	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[5a,6]CC)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6]C[5a,6]CC)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.8165	0.033	2	108.8165	0.001	2	108.8616	0.239	132	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	109.5965	0.011	2	109.5965	0.000	2	108.8616	0.239	132	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2570	0.068	2	109.0929	0.025	10	108.8616	0.239	132	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1910	0.110	2	109.0929	0.025	10	108.8616	0.239	132	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0055	0.134	6	109.0929	0.025	10	108.8616	0.239	132	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	109.5560	0.010	2	109.5560	0.000	2	108.8616	0.239	132	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6,6]N)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6,6]N)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.5335	0.021	2	108.5335	0.000	2	108.8616	0.239	132	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.5978	0.512	6	108.5978	0.262	6	108.8616	0.239	132	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0520	0.183	4	109.3455	0.092	10	108.8616	0.239	132	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|P<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.6252	0.141	4	109.3455	0.092	10	108.8616	0.239	132	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,3|C<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3730	0.105	2	109.3455	0.092	10	108.8616	0.239	132	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)(H){1|P<4>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.6870	0.024	2	109.6870	0.001	2	108.8616	0.239	132	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]C)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8363	0.084	4	108.8363	0.007	4	108.8616	0.239	132	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]N)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]N)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.7832	0.130	8	108.7832	0.017	8	108.8616	0.239	132	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.7086	0.093	51	108.7143	0.008	56	108.8616	0.239	132	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7724	0.040	5	108.7143	0.008	56	108.8616	0.239	132	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6]N[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6,6](C[6]N[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1720	0.010	2	109.1720	0.000	2	108.8616	0.239	132	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|H<1>,5|C<3>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,2|H<1>,6|C<3>}	H(C[6]C[6,6]C[6]H)	109.1155	0.015	2	109.1155	0.000	2	108.8616	0.239	132	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	108.6860	0.000	1	108.6860	0.000	1	108.8616	0.239	132	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	C[6,6](C[6]C[5a,6]CC)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,1|O<1>,4|C<3>}	C[6,6](C[6]C[5a,6]CC)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,2|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	107.7905	3.509	2	107.7905	12.316	2	108.8616	0.239	132	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	C[6,6](C[6]C[3,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6]C[3,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.9115	0.009	2	109.9115	0.000	2	108.8616	0.239	132	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5790	0.000	1	109.5790	0.000	1	108.8616	0.239	132	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6a]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6a]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,2|O<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9330	0.025	2	108.9330	0.001	2	109.1241	0.253	34	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[3,5,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[3,5,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4440	0.000	1	109.4440	0.000	1	109.1241	0.253	34	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[5,6]CH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6]C[5,6]CH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0510	0.020	4	109.0510	0.000	4	109.1241	0.253	34	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[5,6]CO)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6]C[5,6]CO)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.4060	0.007	2	109.4060	0.000	2	109.1241	0.253	34	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9750	0.006	2	108.9750	0.000	2	109.1241	0.253	34	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[5,6]HO)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6]C[5,6]HO)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.2930	0.000	1	109.2930	0.000	1	109.1241	0.253	34	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6]CO)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[6,6](C[6]C[6,6]CO)(N[6,6]C[6]2)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0865	0.116	6	109.0865	0.013	6	109.1241	0.253	34	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1020	0.083	4	109.1020	0.007	4	109.1241	0.253	34	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6]C[3,6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[3,6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0795	0.008	2	109.0795	0.000	2	109.1241	0.253	34	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.7813	0.023	6	108.7813	0.001	6	109.1241	0.253	34	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6]C[6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1060	0.025	2	109.1060	0.001	2	109.1241	0.253	34	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]O[6]HH)(H)2	C[6,6](C[6]C[6,6a]C[6a]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	110.3315	2.046	2	110.3315	4.185	2	109.1241	0.253	34	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:1:	4:	N[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]Pd)(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6]N[6,6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6]Pd)(C[6,6]C[6,6]2H)(H)2{1|N<4>,4|C<4>,5|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6]N[6,6]HH)(H){1|Pd<5>,3|H<1>,5|C<4>}	H(C[6]C[6,6]N[6,6]H)	112.1902	2.699	4	112.1902	7.285	4	112.1902	7.285	4	109.1776	0.658	747	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:2:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(H)2	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(OH)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(H)2{1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(OH){4|C<4>,5|H<1>}	H(C[6]C[6,6]2H)	109.3975	0.032	2	109.3975	0.001	2	109.3975	0.001	2	109.0412	0.376	57	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]O)(C[6]C[6]HH)(H)2{3|C<3>,4|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5600	0.030	2	109.5600	0.001	2	109.5600	0.001	2	109.0412	0.376	57	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]HH)(H)2{3|C<3>,4|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|O<1>,2|O<2>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.9500	0.198	2	108.9500	0.039	2	108.9500	0.039	2	109.0412	0.376	57	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:N[5,6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]N[5,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]N[5,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9765	0.045	2	108.9765	0.002	2	108.9765	0.002	2	109.0412	0.376	57	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6,6a]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6,6a]C[5,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6,6a]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(OH){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3060	0.000	1	109.1858	0.011	5	109.1858	0.011	5	109.0412	0.376	57	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6,6a]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6,6a]C[5,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6,6a]C[5,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(OH){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1557	0.096	4	109.1858	0.011	5	109.1858	0.011	5	109.0412	0.376	57	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH){2|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.6000	0.044	2	109.6000	0.002	2	109.6000	0.002	2	109.0412	0.376	57	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8937	0.047	4	108.8937	0.002	4	109.0203	0.060	22	109.0412	0.376	57	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.5645	0.073	2	108.7473	0.047	4	109.0203	0.060	22	109.0412	0.376	57	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(OH){1|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.9300	0.038	2	108.7473	0.047	4	109.0203	0.060	22	109.0412	0.376	57	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{3|C<4>,4|C<3>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2167	0.009	4	109.2167	0.000	4	109.0203	0.060	22	109.0412	0.376	57	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2255	0.022	2	109.2255	0.000	2	109.0203	0.060	22	109.0412	0.376	57	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.9570	0.252	4	108.9570	0.064	4	109.0203	0.060	22	109.0412	0.376	57	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9630	0.054	2	109.1843	0.066	4	109.0203	0.060	22	109.0412	0.376	57	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4055	0.018	2	109.1843	0.066	4	109.0203	0.060	22	109.0412	0.376	57	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:C-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]N[5,6]O)(C[6]C[6]HH)(CN)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[5,6]O)(C[6]C[6]HH)(CN){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4565	0.040	2	109.4565	0.002	2	109.4565	0.002	2	109.0412	0.376	57	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]N[5,6]O)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[5,6]O)(C[6]C[6]HH)(OH){3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3535	0.009	2	109.3535	0.000	2	109.3535	0.000	2	109.0412	0.376	57	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:S-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]S)(C[6]O[6]CH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6a]O)(C[6]C[6]HH)(SC[6,6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]S)(C[6]O[6]CH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6a]O)(C[6]C[6]HH)(SC[6,6]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1093	0.126	4	109.1093	0.016	4	109.1093	0.016	4	109.0412	0.376	57	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,4|C<3>,9|H<1>}	H(C[6]C[6,6]C[6]H)	108.8060	0.000	1	108.8060	0.000	1	108.8060	0.000	1	109.0412	0.376	57	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(OH){1|N<3>,2|C<4>,2|O<1>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.4570	0.898	5	108.4570	0.806	5	108.4570	0.806	5	109.0412	0.376	57	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6]HN)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6]C[6,6]HN)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5960	0.011	2	109.5960	0.000	2	109.5960	0.000	2	109.0412	0.376	57	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[5,6]HO)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6]C[5,6]HO)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3730	0.020	2	109.3730	0.000	2	109.3730	0.000	2	109.0412	0.376	57	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]N[6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[5,6]CH)(N[6]C[6,6]H)(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]N[6]O[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[5,6]CH)(N[6]C[6,6]H)(C[6]C[6]HH)(O[6]C[6]){2|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	107.4595	2.586	2	107.4595	6.687	2	107.4595	6.687	2	109.0412	0.376	57	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:3:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]C)(C[5,6]C[5,6]C[5]C)(H)2	C[6,6](C[3x6]C[5,5,6,6]C[6,6]C)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCO)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[3x6]C[6,6]C)(C[5,6]C[5,6]C[5]C)(H)2{1|O<1>,2|C<3>,5|C<4>}	C[6,6](C[3x6]C[5,5,6,6]C[6,6]C)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCO){4|C<3>,4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6,6]H)	108.3825	0.011	2	108.3825	0.000	2	108.3825	0.000	2	108.9041	1.496	38	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[5a]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[5a]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|O<1>,2|S<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7755	0.037	2	108.7755	0.001	2	108.7755	0.001	2	108.9041	1.496	38	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO){5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.5870	0.084	5	108.6094	0.006	7	108.3248	4.761	11	108.9041	1.496	38	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO){5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.6655	0.021	2	108.6094	0.006	7	108.3248	4.761	11	108.9041	1.496	38	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	106.7915	6.459	2	106.7915	41.724	2	108.3248	4.761	11	108.9041	1.496	38	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(COO){1|C<3>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.8620	0.024	2	108.8620	0.001	2	108.3248	4.761	11	108.9041	1.496	38	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:N-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]N[6,6]O)(C[6]C[6]HH)(NCH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[5,6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|O<2>}	C[6,6](C[6,6]C[6]2O)(C[6]N[6,6]O)(C[6]C[6]HH)(NCH){4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.5135	0.019	2	109.5135	0.000	2	109.5135	0.000	2	108.9041	1.496	38	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6a]HH)(N[6]N[5a]C[6])(C[6]C[6]HH)(C[6]C[6]C)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6](C[6]C[6,6a]HH)(N[6]N[5a]C[6])(C[6]C[6]HH)(C[6]C[6]C){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1296	0.055	8	109.1296	0.003	8	109.1296	0.003	8	108.9041	1.496	38	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:3:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]CuC)(H)2	C[6,6](C[6]C[6]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]CuC)(H)2{1|C<3>,1|C<4>,1|N<4>,1|O<1>,3|H<1>}	C[6,6](C[6]C[6]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO){1|Cu<6>,1|N<3>,2|C<3>,4|C<4>}	H(C[6]C[6,6]N[6]H)	109.4465	0.200	4	109.4465	0.040	4	109.4465	0.040	4	108.9041	1.496	38	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:3:	4:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2	C[6,6](C[6]C[6,6a]CH)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[6]O[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2{1|C<4>,1|H<1>,1|O<2>,2|O<1>,3|C<3>}	C[6,6](C[6]C[6,6a]CH)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[6]O[6]O){2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.0203	0.063	4	109.0203	0.004	4	109.1798	0.041	9	108.9041	1.496	38	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:3:	4:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2	C[6,6](C[6]C[6,6a]C[6a]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[6]O[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2{1|H<1>,1|O<2>,2|O<1>,4|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[6]O[6]O){2|H<1>,6|C<3>}	H(C[6]C[6,6]C[6]H)	109.4293	0.095	3	109.4293	0.009	3	109.1798	0.041	9	108.9041	1.496	38	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:3:	4:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[6]N[6]S)	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<1>,3|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[6]N[6]S){4|H<1>,6|C<3>}	H(C[6]C[6,6]C[6]H)	109.1245	0.011	2	109.1245	0.000	2	109.1798	0.041	9	108.9041	1.496	38	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(H)2	C[6,6](C[6]C[3,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3)	H(C[6]C[3,6]C[6,6]H)	C[6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6]C[3,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[3,6]C[6,6]H)	108.8210	0.007	2	108.8210	0.000	2	108.8210	0.000	2	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(H)2	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3){3|C<4>,6|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.1610	0.000	1	109.1610	0.000	1	108.5545	0.096	6	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6,6]H)	108.4530	0.025	2	108.4530	0.001	2	108.5545	0.096	6	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6,6]H)	108.2640	0.000	1	108.2640	0.000	1	108.5545	0.096	6	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6,6]H)	108.4980	0.021	2	108.4980	0.000	2	108.5545	0.096	6	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6,6]2H)	108.7770	0.013	2	108.7770	0.000	2	108.7770	0.000	2	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2453	0.097	7	109.2453	0.009	7	109.1523	0.041	9	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]2)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8270	0.021	2	108.8270	0.000	2	109.1523	0.041	9	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6,6]O)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6,6]O)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8882	0.100	4	108.8882	0.010	4	108.8882	0.010	4	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[5a]O[6]H)(H)2	C[6,6](C[3x6]C[3x6]2H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[5a]O[6]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[3x6]C[3x6]2H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1640	0.014	2	109.1640	0.000	2	109.1640	0.000	2	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[4x6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4x6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){2|C<3>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.9810	0.010	2	108.9810	0.000	2	108.9810	0.000	2	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{3|C<4>,4|C<3>}	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5850	1.928	2	109.4880	1.886	3	109.4880	1.886	3	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{3|C<4>,4|C<3>}	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|H<1>,3|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2940	0.000	1	109.4880	1.886	3	109.4880	1.886	3	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]2C[6])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]2C[6])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(CH3){1|O<2>,7|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.5775	0.030	2	108.5775	0.001	2	108.5775	0.001	2	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2{3|C<4>,4|C<3>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|H<1>,3|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.4160	0.000	1	109.4160	0.000	1	109.0319	0.164	15	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3333	0.438	6	109.3333	0.192	6	109.0319	0.164	15	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HO)(H)2	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){2|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7578	0.080	8	108.7578	0.006	8	109.0319	0.164	15	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2	C[6,6](C[5,6]C[6,6]C[5]2)(C[6,6]N[5,6]C[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,4|C<4>}	C[6,6](C[5,6]C[6,6]C[5]2)(C[6,6]N[5,6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.8880	0.000	1	108.8880	0.000	1	108.7355	1.283	20	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5]O[6]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5]O[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.5500	0.000	1	108.5500	0.000	1	108.7355	1.283	20	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5a]O[6]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5a]O[6]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0870	0.143	4	109.0870	0.020	4	108.7355	1.283	20	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{2|C<4>,5|C<3>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2810	0.007	2	109.2810	0.000	2	108.7355	1.283	20	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0525	0.039	2	109.0525	0.002	2	108.7355	1.283	20	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	105.4770	0.074	2	105.4770	0.005	2	108.7355	1.283	20	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0835	0.013	2	109.0835	0.000	2	108.7355	1.283	20	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>}	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0510	0.054	4	109.0510	0.003	4	108.7355	1.283	20	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]O[6]CH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]O[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4665	0.030	2	109.4665	0.001	2	108.7355	1.283	20	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2{2|C<4>,5|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.5295	0.356	4	109.2865	0.454	8	109.2865	0.454	8	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6,6](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2{2|C<4>,5|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0435	0.880	4	109.2865	0.454	8	109.2865	0.454	8	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6,6]HH)(H)2{1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.6775	0.056	2	108.7593	0.006	6	108.6307	0.029	11	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6,6]HH)(H)2{1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(C[6]C[6]HH)2{1|O<2>,3|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8003	0.056	4	108.7593	0.006	6	108.6307	0.029	11	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]CC)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]CC)(H)2{1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.6550	0.000	1	108.4764	0.011	5	108.6307	0.029	11	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]CC)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]CC)(H)2{1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(C[6]C[6]HH)2{1|O<2>,3|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.4317	0.027	4	108.4764	0.011	5	108.6307	0.029	11	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5a,6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3){1|N<2>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0703	0.085	4	109.0703	0.007	4	109.0703	0.007	4	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	107.5435	0.151	2	107.5435	0.023	2	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9380	0.010	2	108.9380	0.000	2	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	107.7195	1.817	2	107.7195	3.300	2	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.4490	0.061	2	108.4490	0.004	2	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4762	1.607	6	108.5011	2.156	7	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6510	0.000	1	108.5011	2.156	7	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5a,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5a,6]C[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5a,6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5a,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|S<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8097	0.065	6	108.8097	0.004	6	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0470	0.000	1	109.0470	0.000	1	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6600	0.016	2	108.7454	0.006	8	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8030	0.064	4	108.7454	0.006	8	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7155	0.022	2	108.7454	0.006	8	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.6430	0.068	2	108.6409	0.202	108	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.6710	0.035	2	108.6409	0.202	108	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.6605	0.328	31	108.6409	0.202	108	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8294	0.350	5	108.6409	0.202	108	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.7135	0.139	17	108.6409	0.202	108	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4430	0.004	2	108.6409	0.202	108	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.6793	0.070	6	108.6409	0.202	108	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.5487	0.037	4	108.6409	0.202	108	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.5399	0.558	26	108.6409	0.202	108	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.4878	1.011	9	108.6409	0.202	108	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<1>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0725	0.036	2	108.6409	0.202	108	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{3|C<4>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0520	0.006	2	108.6409	0.202	108	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.7735	0.016	2	108.7190	0.007	17	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.7117	0.086	15	108.7190	0.007	17	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9338	0.087	6	108.9338	0.007	6	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	107.5285	0.006	2	107.5285	0.000	2	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[3,6]C[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[3,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.9795	0.028	2	108.8385	0.013	6	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[3,6]C[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[3,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.7680	0.045	4	108.8385	0.013	6	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.6385	0.062	6	108.7244	0.089	464	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.7800	0.186	4	108.7244	0.089	464	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.8780	0.125	20	108.7244	0.089	464	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8415	0.024	4	108.7244	0.089	464	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.8362	0.383	102	108.7244	0.089	464	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.8185	0.016	2	108.7244	0.089	464	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|Cl<1>,1|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.9725	0.008	2	108.7244	0.089	464	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9155	0.013	2	108.7244	0.089	464	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.0480	0.000	1	108.7244	0.089	464	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.7075	0.141	6	108.7244	0.089	464	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.7526	0.160	14	108.7244	0.089	464	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.6554	0.116	5	108.7244	0.089	464	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.7135	0.021	2	108.7244	0.089	464	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.5353	0.172	4	108.7244	0.089	464	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|N<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.7133	0.138	4	108.7244	0.089	464	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.8323	0.221	10	108.7244	0.089	464	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.6361	0.228	208	108.7244	0.089	464	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.6430	0.000	1	108.7244	0.089	464	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.6248	0.056	4	108.7244	0.089	464	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9280	2.804	2	108.7244	0.089	464	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.6360	0.013	2	108.7244	0.089	464	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.6997	0.113	12	108.7244	0.089	464	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7900	0.020	2	108.7244	0.089	464	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|Br<1>,2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9700	0.011	2	108.7244	0.089	464	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7174	0.129	16	108.7244	0.089	464	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.8893	0.024	6	108.7244	0.089	464	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7995	0.057	2	108.7244	0.089	464	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<2>,1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0302	0.067	4	108.7244	0.089	464	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.6920	0.000	1	108.7244	0.089	464	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.5805	0.028	2	108.7244	0.089	464	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0135	0.073	2	108.7244	0.089	464	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1525	0.029	2	108.7244	0.089	464	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.5607	0.107	8	108.7244	0.089	464	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO){1|C<3>,1|F<1>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7725	0.008	2	108.8668	0.159	6	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO){4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.4760	0.008	2	108.8668	0.159	6	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3520	0.016	2	108.8668	0.159	6	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9835	0.080	2	108.9835	0.006	2	108.7037	0.140	641	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[5,6]O)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|O<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[5,6]O)(C[6]C[6]HH)(CH3){5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9265	0.028	2	108.9265	0.001	2	108.5611	13.372	18	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]O)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]O)(C[6]C[6]HH)(CH3){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1065	0.016	2	109.1343	0.001	4	108.5611	13.372	18	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]O)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]O)(C[6]C[6]HH)(CH3){1|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1620	0.025	2	109.1343	0.001	4	108.5611	13.372	18	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[5a,6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5a,6]H)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	105.3545	13.939	2	105.3545	194.299	2	108.5611	13.372	18	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[5a,6]O)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5a,6]O)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.0735	2.749	2	108.0735	7.554	2	108.5611	13.372	18	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5]C[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5]C[6])(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2470	0.041	2	109.2470	0.002	2	108.5611	13.372	18	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6a]O[6]C)(H)2	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6a]O)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6a]O[6]C)(H)2{1|O<1>,2|O<2>,4|C<3>}	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6a]O)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.7110	0.021	2	108.7110	0.000	2	108.5611	13.372	18	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6a]O[6]H)(H)2	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6a]O)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6a]O[6]H)(H)2{1|O<1>,2|O<2>,4|C<3>}	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6a]O)(C[6]C[6]HH)(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.2345	0.109	4	109.2345	0.012	4	108.5611	13.372	18	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]S)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]O)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]S)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]O)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2330	0.027	2	109.2330	0.001	2	109.2330	0.001	2	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.5530	0.000	1	108.5530	0.000	1	108.5530	0.000	1	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(CC[6a]HH){1|N<3>,1|O<1>,2|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.8250	0.006	2	108.8250	0.000	2	108.8250	0.000	2	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(N[6]C[5a,6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6]C[5a,6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2103	0.035	4	109.2103	0.001	4	109.2414	0.009	8	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]C)(C[6]O[6]HO)(H)2	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]C)(C[6]O[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.2725	0.129	4	109.2725	0.017	4	109.2414	0.009	8	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7635	0.021	2	108.7635	0.000	2	108.7866	0.178	29	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.3100	0.090	3	109.1729	0.019	13	108.7866	0.178	29	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.1108	0.149	6	109.1729	0.019	13	108.7866	0.178	29	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.1633	0.075	4	109.1729	0.019	13	108.7866	0.178	29	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0825	0.052	2	109.0825	0.003	2	108.7866	0.178	29	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.2863	0.074	6	108.3227	0.005	12	108.7866	0.178	29	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.3590	0.036	6	108.3227	0.005	12	108.7866	0.178	29	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]N[6]O[6]H)(N[6]C[6,6a]H)(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,6|H<1>}	C[6,6](C[6]N[6]O[6]H)(N[6]C[6,6a]H)(C[6]C[6]HH)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0149	0.232	7	109.0149	0.054	7	109.0149	0.054	7	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2	C[6,6](C[6]C[3]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[6]O[6]HO)	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2{1|C<4>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6,6](C[6]C[3]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[6]O[6]HO){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.6283	0.087	3	108.6283	0.007	3	108.7778	0.046	5	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2	C[6,6](C[6]C[6,6a]HO)(C[6]C[6,6a]O)(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6,6a]HO)(C[6]C[6,6a]O)(C[6]C[6]HH)2{1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.0020	0.044	2	109.0020	0.002	2	108.7778	0.046	5	108.7368	0.462	803	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[3x6]O[6]H)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(O[6]C[5,6])(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[3x6]O[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(O[6]C[5,6])(H){1|O<2>,2|C<3>,7|C<4>}	H(C[6]C[5,6]C[6,6]H)	109.2890	0.047	2	109.2890	0.002	2	109.4338	0.030	4	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3x6]O[6]H)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6]C[5,6]HH)(O[6]Si[6])(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3x6]O[6]H)(H)2{1|Si<4>,1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6]C[5,6]HH)(O[6]Si[6])(H){2|H<1>,2|O<2>,6|C<4>}	H(C[6]C[5,6]C[6,6]H)	109.5785	0.054	2	109.5785	0.003	2	109.4338	0.030	4	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(O[6]C[6])(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.5760	0.081	5	109.5760	0.007	5	109.6384	0.016	7	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]O[6]H)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(O[6]C[6])(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]O[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(O[6]C[6])(H){2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.7945	0.032	2	109.7945	0.001	2	109.6384	0.016	7	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,3x6]O[6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]C[5,6])(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5,3x6]O[6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,2|O<2>,6|C<4>}	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]C[5,6])(H){1|C<3>,3|O<2>,4|H<1>,5|C<4>}	H(C[6]C[5,6]C[6,6]H)	108.4975	0.062	2	108.3575	0.028	4	108.7794	0.316	10	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,3x6]O[6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]C[5,6])(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5,3x6]O[6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,2|O<2>,6|C<4>}	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]C[5,6])(H){3|O<2>,4|H<1>,6|C<4>}	H(C[6]C[5,6]C[6,6]H)	108.2175	0.043	2	108.3575	0.028	4	108.7794	0.316	10	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,3x6]O[6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]C[6])(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5,3x6]O[6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,2|O<2>,6|C<4>}	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]C[6])(H){3|O<2>,4|H<1>,6|C<4>}	H(C[6]C[5,6]C[6,6]H)	108.3380	0.007	2	108.3380	0.000	2	108.7794	0.316	10	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,3x6]O[6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]Si[6])(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5,3x6]O[6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|Si<4>,1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]Si[6])(H){1|O<1>,2|H<1>,3|O<2>,6|C<4>}	H(C[6]C[5,6]C[6,6]H)	109.4220	0.045	4	109.4220	0.002	4	108.7794	0.316	10	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2{4|C<3>,5|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]2H)	108.8935	0.028	2	108.8935	0.001	2	108.8935	0.001	2	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5,3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,6|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]2H)	109.4555	0.008	2	109.2652	1.054	8	109.2652	1.054	8	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5,3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,6|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]2H)	109.7420	0.024	2	109.2652	1.054	8	109.2652	1.054	8	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5,3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,6|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]2H)	109.7945	0.012	2	109.2652	1.054	8	109.2652	1.054	8	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5,3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2{3|C<3>,5|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]2H)	108.0690	1.851	2	109.2652	1.054	8	109.2652	1.054	8	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,2|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H){1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6,6]2H)	109.0855	2.679	2	109.0855	7.178	2	109.0855	7.178	2	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(H)2{1|S<2>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H){1|N<2>,2|C<4>,2|O<1>,3|H<1>}	H(C[6]C[6,6]2H)	109.6800	0.095	2	109.9382	0.093	4	110.2501	0.344	15	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(H)2{2|H<1>,7|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]2H)	110.1965	0.062	2	109.9382	0.093	4	110.2501	0.344	15	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6,6])(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6,6])(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]2H)	110.1240	0.000	1	110.1240	0.000	1	110.2501	0.344	15	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]2C)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6,6])(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]2C)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6,6])(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]2H)	109.3150	0.023	2	109.3150	0.001	2	110.2501	0.344	15	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)2(H)2	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(O[6]C[6,6])(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]O[6]H)2(H)2{1|O<2>,6|C<4>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(O[6]C[6,6])(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]2H)	111.0410	0.011	2	111.0410	0.000	2	110.2501	0.344	15	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)2(H)2	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]O[6]H)2(H)2{1|O<2>,6|C<4>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(O[6]C[6])(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]2H)	110.9990	0.061	2	110.9990	0.004	2	110.2501	0.344	15	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)2(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]O[6]H)2(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6])(H){1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]2H)	110.2895	0.009	2	110.2910	0.000	4	110.2501	0.344	15	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)2(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]O[6]H)2(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6])(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]2H)	110.2925	0.023	2	110.2910	0.000	4	110.2501	0.344	15	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:Br-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]BrC)(Br)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]BrH)(O[6]C[5,6])(H)	H(C[6]C[6,6]C[6]Br)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]BrC)(Br)(H){2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]BrH)(O[6]C[5,6])(H){1|Br<1>,3|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]Br)	107.5940	0.000	1	107.5940	0.000	1	107.5940	0.000	1	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:F-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]FH)(F)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]FH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]F)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]FH)(F)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]FH)(O[6]C[6])(H){1|F<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]F)	109.1720	0.412	2	109.1720	0.169	2	109.1720	0.169	2	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2{6|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.2190	2.663	2	108.2190	7.091	2	109.7965	0.913	17	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.9465	0.056	4	109.9057	0.025	8	109.7965	0.913	17	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.8650	0.224	4	109.9057	0.025	8	109.7965	0.913	17	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<2>,1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	110.4045	0.490	4	110.4045	0.240	4	109.7965	0.913	17	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[3x6]C[6,6]2O)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)(H)2{2|O<2>,4|C<4>}	C[6,6](C[3x6]C[6,6]2O)(C[6]C[6]HH)(O[6]C[6])(H){2|C<4>,4|H<1>,4|O<2>}	H(C[6]C[6,6]C[6]H)	109.8440	0.061	2	109.8440	0.004	2	109.7965	0.913	17	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CC)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CC)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.5510	0.000	1	109.5510	0.000	1	109.7965	0.913	17	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,5|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.6650	0.037	2	109.6650	0.001	2	109.9302	0.244	26	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[5,6,6]C[5,5,6]C[5,6]C)(C[6]C[6]HH)(O[6]C[5,6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]CH)(H)2{2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6]C)(C[6]C[6]HH)(O[6]C[5,6])(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2865	2.193	2	109.2865	4.808	2	109.9302	0.244	26	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	110.1253	0.035	3	110.1253	0.001	3	109.9302	0.244	26	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.9738	0.098	12	109.9951	0.007	19	109.9302	0.244	26	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	110.0478	0.033	4	109.9951	0.007	19	109.9302	0.244	26	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,2|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	110.0100	0.063	3	109.9951	0.007	19	109.9302	0.244	26	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6])(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4654	0.081	9	109.4654	0.007	9	109.4654	0.007	9	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6,6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6,6])(H){1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.5427	0.173	7	109.5427	0.030	7	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.9395	0.156	4	109.5677	0.270	47	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.8450	0.057	2	109.5677	0.270	47	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.9510	0.007	2	109.5677	0.270	47	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5143	1.173	3	109.5677	0.270	47	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2940	0.020	4	109.5677	0.270	47	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3417	0.382	22	109.5677	0.270	47	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.9096	0.570	10	109.5677	0.270	47	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	110.1235	0.613	2	110.1235	0.376	2	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.6100	0.500	4	109.4657	2.593	14	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,2|C<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	110.0965	0.824	2	109.4657	2.593	14	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.4040	0.010	2	109.4657	2.593	14	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	110.7223	2.563	4	109.4657	2.593	14	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|P<4>,1|S<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0950	0.006	2	109.4657	2.593	14	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.9980	0.057	2	109.9980	0.003	2	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CO)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CO)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	H(C[6]C[6,6]C[6]H)	109.6495	0.039	4	109.6423	0.001	6	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CO)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CO)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,2|F<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.6280	0.000	2	109.6423	0.001	6	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]FH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]FH)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|F<1>,1|O<2>,1|S<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.6530	0.000	1	109.6530	0.000	1	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6,6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6,6])(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9635	0.012	2	108.9635	0.000	2	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2585	0.033	2	109.2585	0.001	2	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5300	0.000	1	109.5300	0.000	1	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	110.0965	0.009	2	109.2678	1.247	4	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.4390	0.997	2	109.2678	1.247	4	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[6]C[6,6]C[6]H)	107.1920	0.863	2	108.9038	1.067	9	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4970	0.014	2	108.9038	1.067	9	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2873	0.310	3	108.9038	1.067	9	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4470	0.017	2	108.9038	1.067	9	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]N[6,6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]N[6,6])(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.7835	0.009	2	109.7835	0.000	2	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	H(C[6]C[6,6]C[6]H)	107.7560	2.039	2	107.7560	4.159	2	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|S<4>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9940	0.008	2	108.9940	0.000	2	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]O[6])(C[6]C[6]HH)(O[6]C[6,6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]N[6]O[6])(C[6]C[6]HH)(O[6]C[6,6])(H){1|N<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.7675	0.042	2	108.7675	0.002	2	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[5,6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[5,6])(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	110.0355	0.006	2	110.0355	0.000	2	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,5|C<4>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6])(H){2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	107.8615	0.479	4	107.8615	0.229	4	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[5,6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[5,6])(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	110.0920	0.071	3	110.0920	0.005	3	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(H){3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	110.0400	0.000	1	110.0400	0.000	1	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5854	0.439	8	109.4352	0.824	36	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	110.0020	0.045	4	109.4352	0.824	36	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.7322	1.224	8	109.4352	0.824	36	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5427	0.274	4	109.4352	0.824	36	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.7515	0.095	4	109.4352	0.824	36	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|S<4>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4928	1.000	8	109.4352	0.824	36	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(O[6]N[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(O[6]N[6])(H){1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3630	0.027	2	109.3630	0.001	2	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6,6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6,6])(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	110.0760	0.008	2	110.0760	0.000	2	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2{1|O<2>,5|C<4>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	110.3222	0.215	4	110.3222	0.046	4	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[5,6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[5,6])(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.6495	0.005	2	109.6495	0.000	2	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.8005	0.026	2	109.8005	0.001	2	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	110.3945	0.012	2	110.1562	0.076	4	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.9180	0.044	2	110.1562	0.076	4	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HS)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HS)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|S<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.4338	0.206	12	109.4338	0.042	12	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]O[6]H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]O[6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3030	0.037	2	109.3030	0.001	2	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]HH)(H)2	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6]C[6,6]C[6]H)	107.5855	0.357	2	107.5855	0.128	2	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1133	0.049	4	109.1133	0.002	4	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HH)(H)2{4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.2710	0.004	2	109.2710	0.000	2	109.4376	0.706	189	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:S[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(S[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(S[6]C[6])(H){2|C<4>,2|O<2>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2230	0.017	2	109.2230	0.000	2	108.7340	2.892	8	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:S[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(S[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(S[6]C[6])(H){1|O<2>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.2955	0.011	2	109.2955	0.000	2	108.7340	2.892	8	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:S[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)(S[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)(S[6]C[6])(H){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.2087	2.452	4	108.2087	6.011	4	108.7340	2.892	8	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:I-1:	C[4,6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[4,6,6]O[6]H)(C[6]C[6]HH)(H)(I)	C[6,6](C[4,6,6]C[4,6]2H)(C[6]C[6]HI)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]I)	C[6](C[6,6]C[4,6,6]O[6]H)(C[6]C[6]HH)(H)(I){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6]C[6]HI)(O[6]C[6])(H){1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]I)	107.9875	0.375	2	107.9875	0.141	2	107.9875	0.141	2	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:O-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)(O)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	107.3170	0.000	1	107.3170	0.000	1	107.3170	0.000	1	109.4705	0.783	303	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:S[6]-2:S[6]-2:	C[6]-4:	C[6](C[5,6]N[5,6,6]C[5]H)(C[6,6]C[6]S[6]2)(H)2	C[6,6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(S[6]C[6])2	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]N[5,6,6]C[5]H)(C[6,6]C[6]S[6]2)(H)2{4|H<1>,5|C<4>}	C[6,6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(S[6]C[6])2{1|C<3>,1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.1230	0.012	4	109.1813	0.009	6	109.1813	0.009	6	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:S[6]-2:S[6]-2:	C[6]-4:	C[6](C[5,6]N[5,6,6]C[5]H)(C[6,6]C[6]S[6]2)(H)2	C[6,6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(S[6]C[6])2	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]N[5,6,6]C[5]H)(C[6,6]C[6]S[6]2)(H)2{4|H<1>,5|C<4>}	C[6,6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(S[6]C[6])2{1|N<3>,3|C<4>,6|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.2980	0.049	2	109.1813	0.009	6	109.1813	0.009	6	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]2)(H)2	C[6,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])2	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]2)(H)2{4|H<1>,6|C<4>}	C[6,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])2{3|C<4>,7|H<1>}	H(C[6]C[6,6]2H)	108.8075	0.035	2	108.8075	0.001	2	108.6094	0.018	8	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6,6]C[6]S[6]2)(H)2	C[6,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])2	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6]O[6]2)(C[6,6]C[6]S[6]2)(H)2{4|H<1>,5|C<4>}	C[6,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])2{2|S<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]2H)	108.5433	0.061	6	108.5433	0.004	6	108.6094	0.018	8	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:S[6]-2:S[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6,6]C[6]S[6]2)(H)2	C[6,6](C[6]C[6,6]HH)(C[6]C[6]HH)(S[6]C[6])2	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6]O[6]2)(C[6,6]C[6]S[6]2)(H)2{4|H<1>,5|C<4>}	C[6,6](C[6]C[6,6]HH)(C[6]C[6]HH)(S[6]C[6])2{2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]2H)	108.5527	0.102	6	108.5527	0.011	6	108.9623	0.190	12	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:S[6]-2:S[6]-2:	C[6]-4:	C[6](C[6,6]N[5,6,6]C[6]H)(C[6,6]C[6]S[6]2)(H)2	C[6,6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(S[6]C[6])2	H(C[6]C[6,6]2H)	C[6](C[6,6]N[5,6,6]C[6]H)(C[6,6]C[6]S[6]2)(H)2{1|I<1>,2|H<1>,6|C<4>}	C[6,6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(S[6]C[6])2{1|N<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]2H)	109.4440	0.051	2	109.3720	0.004	6	108.9623	0.190	12	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:S[6]-2:S[6]-2:	C[6]-4:	C[6](C[6,6]N[5,6,6]C[6]H)(C[6,6]C[6]S[6]2)(H)2	C[6,6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(S[6]C[6])2	H(C[6]C[6,6]2H)	C[6](C[6,6]N[5,6,6]C[6]H)(C[6,6]C[6]S[6]2)(H)2{1|O<1>,2|H<1>,5|C<4>}	C[6,6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(S[6]C[6])2{1|C<3>,1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]2H)	109.3360	0.013	4	109.3720	0.004	6	108.9623	0.190	12	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(Br)(H)	C[6,6](C[6]C[6]BrH)(C[6]C[6]HH)(O[6]C[6])2	H(C[6]C[6,6]C[6]Br)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(Br)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6]C[6]BrH)(C[6]C[6]HH)(O[6]C[6])2{2|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]Br)	107.7630	0.000	1	107.7630	0.000	1	107.7630	0.000	1	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:O[6]-2:O-2:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]O[6,6]C[6]2)(C[6]C[6]HH)(O[6]O[6])(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]O[6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]O[6,6]C[6]2)(C[6]C[6]HH)(O[6]O[6])(OH){3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3300	0.044	2	109.3300	0.002	2	109.3300	0.002	2	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O[6]-2:O-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]O[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(O[6]C[6])(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]O[6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(O[6]C[6])(OH){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0650	0.141	2	109.0650	0.020	2	109.0650	0.020	2	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[5,6]O[6]2)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(O[6]C[6])2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]O[6]2)(C[6]C[5,6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(O[6]C[6])2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.9215	0.005	2	108.9215	0.000	2	108.9215	0.000	2	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:S[6]-2:S[6]-2:	C[6]-4:	C[6](C[6,6]C[5,6]S[6]2)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(S[6]C[6])2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]S[6]2)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[6,6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(S[6]C[6])2{4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.4435	0.176	8	109.4435	0.031	8	109.4435	0.031	8	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-2:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6])(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6])(OH){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2445	0.026	2	109.2445	0.001	2	109.2368	0.002	6	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-2:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6a]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6])(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6])(OH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2330	0.051	4	109.2330	0.003	4	109.2368	0.002	6	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[5,5,6]HH)(H)2	C[6,6](C[6,6]C[5,5,6,6]HH)(C[6]C[6]HH)(O[6]C[5,6])(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[5,5,6]HH)(H)2{1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,5,6,6]HH)(C[6]C[6]HH)(O[6]C[5,6])(OH){1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0355	0.037	4	109.0355	0.001	4	109.1542	0.299	26	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6,6]HH)(H)2{2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(OH){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4560	0.014	2	109.4560	0.000	2	109.1542	0.299	26	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(O[6]C[6,6])(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(O[6]C[6,6])(OH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5415	0.018	2	109.5415	0.000	2	109.1542	0.299	26	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(OH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.0222	0.043	4	108.0222	0.002	4	109.1542	0.299	26	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(OC)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(OC){1|C<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2275	0.047	2	109.2275	0.002	2	109.1542	0.299	26	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(OH){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3025	0.005	2	109.3025	0.000	2	109.1542	0.299	26	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(OH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4571	0.324	8	109.4571	0.105	8	109.1542	0.299	26	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6a]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(OH){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.5325	0.032	2	109.5325	0.001	2	109.1542	0.299	26	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(O[6]C[6])2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]2)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(O[6]C[6])2{1|O<1>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4290	0.048	2	109.5385	0.017	4	109.5385	0.017	4	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(O[6]C[6])2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]2)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(O[6]C[6])2{1|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.6480	0.021	2	109.5385	0.017	4	109.5385	0.017	4	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:S[6]-2:S[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]S[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(S[6]C[6])2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]S[6]2)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(S[6]C[6])2{1|C<2>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	111.0460	0.369	2	111.0460	0.136	2	110.0405	1.394	4	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:S[6]-2:S[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]S[6]2)(C[6]O[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(S[6]C[6])2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]S[6]2)(C[6]O[6]HO)(H)2{1|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(S[6]C[6])2{2|O<2>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.0350	0.017	2	109.0350	0.000	2	110.0405	1.394	4	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]CH)(H)2	C[6,6](C[6]C[6]HH)2(O[6]C[6,6])(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6]C[6]HH)2(O[6]C[6,6])(O[6]C[6]){2|H<1>,3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.7407	0.047	3	108.7407	0.002	3	109.2340	0.303	156	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2	C[6,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])2{1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	110.4020	4.446	2	110.0580	10.240	3	109.2340	0.303	156	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2	C[6,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	C[6,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])2{3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.3700	0.000	1	110.0580	10.240	3	109.2340	0.303	156	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2	C[6,6](C[6]C[6,6a]HH)(C[6]C[6]HH)(O[6]C[6,6])(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6]C[6,6a]HH)(C[6]C[6]HH)(O[6]C[6,6])(O[6]C[6]){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9973	0.277	7	109.0687	0.078	9	109.2340	0.303	156	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2	C[6,6](C[6]C[6,6a]HH)(C[6]C[6]HH)(O[6]C[6,6])(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6]C[6,6a]HH)(C[6]C[6]HH)(O[6]C[6,6])(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3185	0.026	2	109.0687	0.078	9	109.2340	0.303	156	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2	C[6,6](C[6]C[6]HH)2(O[6]C[6])2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6]C[6]HH)2(O[6]C[6])2{2|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.2572	0.215	4	109.2572	0.046	4	109.2340	0.303	156	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2	C[6,6](C[6]C[6]HH)2(O[6]O[6])2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6]C[6]HH)2(O[6]O[6])2{2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.7815	0.013	2	109.7815	0.000	2	109.2340	0.303	156	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6]HH)2(O[6]C[6,6])(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[6]HH)2(O[6]C[6,6])(O[6]C[6]){2|H<1>,3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.4925	0.181	4	108.4925	0.033	4	109.2340	0.303	156	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]CH)(H)2	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(O[6]C[6,6])(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(O[6]C[6,6])(O[6]C[6]){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8368	0.440	6	108.8368	0.193	6	109.2340	0.303	156	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]CH)(H)2	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(O[6]C[6])2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]CH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(O[6]C[6])2{4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7125	0.016	2	108.7125	0.000	2	109.2340	0.303	156	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])2{2|S<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3505	0.239	6	109.3505	0.057	6	109.2340	0.303	156	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]BrC)(C[6]C[6]HH)(O[6]C[6])2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|Br<1>,2|H<1>,4|C<4>}	C[6,6](C[6]C[6]BrC)(C[6]C[6]HH)(O[6]C[6])2{2|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.6790	1.188	2	109.6790	1.411	2	109.2340	0.303	156	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]BrH)(C[6]C[6]HH)(O[6]C[6])2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6]C[6]BrH)(C[6]C[6]HH)(O[6]C[6])2{2|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.3060	0.027	2	109.3060	0.001	2	109.2340	0.303	156	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(O[6]C[6])2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(O[6]C[6])2{1|N<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.6080	0.000	1	109.6752	0.275	5	109.2340	0.303	156	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(O[6]C[6])2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(O[6]C[6])2{1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.8635	0.989	2	109.6752	0.275	5	109.2340	0.303	156	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(O[6]C[6])2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|C<3>,5|C<4>}	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(O[6]C[6])2{1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5205	0.009	2	109.6752	0.275	5	109.2340	0.303	156	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]FeH)(C[6]C[6]HH)(O[6]C[6])2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|Fe<7>,3|C<4>,3|H<1>}	C[6,6](C[6]C[6]FeH)(C[6]C[6]HH)(O[6]C[6])2{3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4327	0.075	4	109.4327	0.006	4	109.2340	0.303	156	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]HH)2(O[6]C[5,6])(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6]C[6]HH)2(O[6]C[5,6])(O[6]C[6]){2|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2535	0.045	2	109.1807	0.008	4	109.2340	0.303	156	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]HH)2(O[6]C[5,6])(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6]C[6]HH)2(O[6]C[5,6])(O[6]C[6]){2|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1080	0.027	2	109.1807	0.008	4	109.2340	0.303	156	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]HH)2(O[6]C[6])(O[6]O[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6]HH)2(O[6]C[6])(O[6]O[6]){2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1520	0.054	3	109.1520	0.003	3	109.2340	0.303	156	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]HH)2(O[6]C[6])2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6]C[6]HH)2(O[6]C[6])2{2|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.2320	0.127	8	109.3358	0.025	76	109.2340	0.303	156	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]HH)2(O[6]C[6])2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6]C[6]HH)2(O[6]C[6])2{1|C<3>,1|C<4>,2|O<1>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4187	0.115	27	109.3358	0.025	76	109.2340	0.303	156	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]HH)2(O[6]C[6])2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6]C[6]HH)2(O[6]C[6])2{2|C<4>,2|O<1>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3629	0.165	24	109.3358	0.025	76	109.2340	0.303	156	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]HH)2(O[6]C[6])2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6]C[6]HH)2(O[6]C[6])2{1|N<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1700	0.137	4	109.3358	0.025	76	109.2340	0.303	156	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]HH)2(O[6]C[6])2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6]C[6]HH)2(O[6]C[6])2{2|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.2285	0.125	13	109.3358	0.025	76	109.2340	0.303	156	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]HH)2(O[6]O[6])2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6]C[6]HH)2(O[6]O[6])2{2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5837	0.032	4	109.4322	0.015	12	109.2340	0.303	156	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]HH)2(O[6]O[6])2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6]C[6]HH)2(O[6]O[6])2{2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3564	0.057	8	109.4322	0.015	12	109.2340	0.303	156	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HO)(H)2	C[6,6](C[6]C[6]HH)2(O[6]C[5,6])(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6]C[6]HH)2(O[6]C[5,6])(O[6]C[6]){2|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1200	0.000	1	109.1200	0.000	1	109.2340	0.303	156	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]N[6]CC)(H)2	C[6,6](C[6]C[6]HH)2(O[6]C[6])2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]N[6]CC)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6]C[6]HH)2(O[6]C[6])2{1|N<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.1617	0.199	8	108.1617	0.039	8	109.2340	0.303	156	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S[6]-2:S[6]-2:	C[6]-4:	C[6](C[6,6]C[6]S[6]2)(C[6]C[5]C[6]C)(H)2	C[6,6](C[6]C[6]HH)2(S[6]C[6])2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]S[6]2)(C[6]C[5]C[6]C)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6]C[6]HH)2(S[6]C[6])2{4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	107.9520	0.045	2	107.9520	0.002	2	109.0999	0.197	22	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S[6]-2:S[6]-2:	C[6]-4:	C[6](C[6,6]C[6]S[6]2)(C[6]C[5]C[6]H)(H)2	C[6,6](C[6]C[6]HH)2(S[6]C[6])2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]S[6]2)(C[6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6]C[6]HH)2(S[6]C[6])2{3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.9720	0.006	2	108.9720	0.000	2	109.0999	0.197	22	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S[6]-2:S[6]-2:	C[6]-4:	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]HH)(C[6]O[6]HO)(S[6]C[6])2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6]C[6]HH)(C[6]O[6]HO)(S[6]C[6])2{2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1255	0.445	2	109.2412	0.053	6	109.0999	0.197	22	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S[6]-2:S[6]-2:	C[6]-4:	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]HH)(C[6]O[6]HO)(S[6]C[6])2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6]C[6]HH)(C[6]O[6]HO)(S[6]C[6])2{2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2990	0.097	4	109.2412	0.053	6	109.0999	0.197	22	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S[6]-2:S[6]-2:	C[6]-4:	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]HH)2(S[6]C[6])2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6]C[6]HH)2(S[6]C[6])2{2|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.0287	0.037	3	109.0390	0.003	6	109.0999	0.197	22	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S[6]-2:S[6]-2:	C[6]-4:	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]HH)2(S[6]C[6])2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6]C[6]HH)2(S[6]C[6])2{3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0080	0.054	2	109.0390	0.003	6	109.0999	0.197	22	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S[6]-2:S[6]-2:	C[6]-4:	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]HH)2(S[6]C[6])2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6]C[6]HH)2(S[6]C[6])2{4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1320	0.000	1	109.0390	0.003	6	109.0999	0.197	22	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S[6]-2:S[6]-2:	C[6]-4:	C[6](C[6,6]C[6]S[6]2)(C[6]O[6]CH)(H)2	C[6,6](C[6]C[6,6]HH)(C[6]C[6]HH)(S[6]C[6])2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]S[6]2)(C[6]O[6]CH)(H)2{2|H<1>,3|C<4>}	C[6,6](C[6]C[6,6]HH)(C[6]C[6]HH)(S[6]C[6])2{2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4447	0.254	6	109.4447	0.064	6	109.0999	0.197	22	109.1965	0.292	259	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:3:	4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:C[6]-3:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2O[6])(H)2	C[6,6](C[6]C[3,6]HH)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]O)	H(C[6]C[3,6]C[6,6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2O[6])(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[6]C[3,6]HH)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]O){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[3,6]C[6,6]H)	109.0678	0.112	4	109.0678	0.013	4	109.0678	0.013	4	109.1515	0.087	26	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:O[6]-2:C-3:	C[6]-4:	C[6](C[6,6]C[3,6,6]O[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)(O[6]N[6])(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]O[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)(O[6]N[6])(COO){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9970	0.016	2	108.9970	0.000	2	108.9970	0.000	2	109.1515	0.087	26	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:N-3:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]N)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(NCC)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]N)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(NCC){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4195	0.006	2	109.4195	0.000	2	109.4195	0.000	2	109.1515	0.087	26	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(N[6]C[6]2)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]O[6])(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(N[6]C[6]2){5|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	109.2075	0.011	2	109.2075	0.000	2	109.2075	0.000	2	109.1515	0.087	26	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-2:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]CH)(H)2	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[3x6])(C[6]O[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[3x6])(C[6]O[6]O){3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.5080	0.014	2	108.5080	0.000	2	108.5080	0.000	2	109.1515	0.087	26	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6]C[3,6]HH)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6]C[3,6]HH)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]O){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4303	0.147	4	109.4303	0.022	4	109.2431	0.074	14	109.1515	0.087	26	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,5|C<4>}	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]O){1|Br<1>,1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4570	0.014	2	109.4570	0.000	2	109.2431	0.074	14	109.1515	0.087	26	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6]C[6]HH)2(O[6]C[6,6])(C[6]C[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[6]HH)2(O[6]C[6,6])(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2225	0.049	2	109.2225	0.002	2	109.2431	0.074	14	109.1515	0.087	26	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]HH)2(O[6]C[6,6])(C[6]C[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6]C[6]HH)2(O[6]C[6,6])(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4325	0.012	2	109.4325	0.000	2	109.2431	0.074	14	109.1515	0.087	26	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]O){1|C<4>,3|H<1>,6|C<3>}	H(C[6]C[6,6]C[6]H)	108.8025	0.028	2	108.8025	0.001	2	109.2431	0.074	14	109.1515	0.087	26	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(H)2	C[6,6](C[6]C[6]CO)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6]C[6]CO)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]O){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9270	0.004	2	108.9270	0.000	2	109.2431	0.074	14	109.1515	0.087	26	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[3x6]O[6]C)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[5,6]HH)(O[6]C[6])(CH3)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[3x6]O[6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[5,6]HH)(O[6]C[6])(CH3){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	H(C[6]C[5,6]C[6,6]H)	110.0030	0.014	2	110.0030	0.000	2	110.0030	0.000	2	109.0536	1.021	87	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]C)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(O[6]C[6])(CH3)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(O[6]C[6])(CH3){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6,6]H)	110.0130	0.034	2	110.0130	0.001	2	110.0130	0.001	2	109.0536	1.021	87	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)2(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6,6])(CH3)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]O[6]C)2(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6,6])(CH3){1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]2H)	109.0990	0.025	2	109.0990	0.001	2	109.0109	0.095	8	109.0536	1.021	87	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)2(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6])(CH3)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]O[6]C)2(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6])(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]2H)	109.0620	0.038	2	109.0620	0.001	2	109.0109	0.095	8	109.0536	1.021	87	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]O[6]C)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6]HH)(O[6]C[6,6a])(CH3)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]O[6]C)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6]HH)(O[6]C[6,6a])(CH3){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]2H)	108.9412	0.456	4	108.9412	0.208	4	109.0109	0.095	8	109.0536	1.021	87	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(CH3){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2560	0.000	1	109.2560	0.000	1	109.2596	0.010	5	109.0536	1.021	87	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]S[6])(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|S<3>,2|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]S[6])(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2605	0.118	4	109.2605	0.014	4	109.2596	0.010	5	109.0536	1.021	87	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]O[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(O[6]C[6])(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]O[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(O[6]C[6])(CH3){3|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.3145	0.079	4	109.3145	0.006	4	109.1816	0.023	8	109.0536	1.021	87	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]O[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]C[6]HH)(O[6]C[6])(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]C[6]HH)(O[6]C[6])(CCHH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0487	0.037	4	109.0487	0.001	4	109.1816	0.023	8	109.0536	1.021	87	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(CCCO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[5,6]HH)(H)2{2|C<4>,3|C<3>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(CCCO){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9480	0.000	1	108.9480	0.000	1	109.1070	0.388	60	109.0536	1.021	87	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[5,6]HH)(H)2{1|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3){3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2835	0.039	2	109.2835	0.002	2	109.1070	0.388	60	109.0536	1.021	87	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HH)(O[6]C[6])(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HH)(O[6]C[6])(CH3){1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9617	0.029	4	108.9617	0.001	4	109.1070	0.388	60	109.0536	1.021	87	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[5,6])(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[5,6])(CH3){1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2460	0.000	1	109.2460	0.000	1	109.1070	0.388	60	109.0536	1.021	87	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6,6])(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6,6])(CH3){4|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.3052	0.159	6	109.3052	0.025	6	109.1070	0.388	60	109.0536	1.021	87	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2730	0.030	2	109.1245	1.314	8	109.1070	0.388	60	109.0536	1.021	87	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3){1|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.7085	2.580	2	109.1245	1.314	8	109.1070	0.388	60	109.0536	1.021	87	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3){1|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0930	0.057	2	109.1245	1.314	8	109.1070	0.388	60	109.0536	1.021	87	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3){4|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.4235	0.907	2	109.1245	1.314	8	109.1070	0.388	60	109.0536	1.021	87	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3725	0.245	4	109.3725	0.060	4	109.1070	0.388	60	109.0536	1.021	87	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(CH3){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1906	0.165	9	109.1489	0.031	11	109.1070	0.388	60	109.0536	1.021	87	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(CH3){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9615	0.050	2	109.1489	0.031	11	109.1070	0.388	60	109.0536	1.021	87	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|Cl<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(CH3){5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2540	0.042	3	109.2540	0.002	3	109.1070	0.388	60	109.0536	1.021	87	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(CH3){1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2596	0.049	8	109.2596	0.002	8	109.1070	0.388	60	109.0536	1.021	87	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(CH3){4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4020	0.020	2	109.4020	0.000	2	109.1070	0.388	60	109.0536	1.021	87	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3){4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.6132	0.036	4	108.6499	1.360	8	109.1070	0.388	60	109.0536	1.021	87	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3){4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	107.6865	0.835	4	108.6499	1.360	8	109.1070	0.388	60	109.0536	1.021	87	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]O[6]HO)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]O[6]HO)(H)2{1|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(CH3){2|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.5065	0.032	2	108.5065	0.001	2	109.1070	0.388	60	109.0536	1.021	87	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:2:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:S[6]-2:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]S[6]C)(C[6]C[3,6]HH)(H)2	C[6,6](C[6,6]C[3,6]S[6]H)(C[6]C[6]HH)(S[6]C[5,6])(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]S[6]C)(C[6]C[3,6]HH)(H)2{1|C<3>,1|S<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[3,6]S[6]H)(C[6]C[6]HH)(S[6]C[5,6])(CH3){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	104.6875	4.661	2	104.6875	21.721	2	104.6875	21.721	2	109.0536	1.021	87	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(C[6,6]C[6]2)(H)	H(C[6]C[3,6,6]C[6,6]H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|O<2>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(C[6,6]C[6]2)(H){1|O<2>,5|C<4>,6|H<1>}	H(C[6]C[3,6,6]C[6,6]H)	109.7015	0.008	2	109.7125	0.000	4	109.7125	0.000	4	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[3,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(C[6,6]C[6]2)(H)	H(C[6]C[3,6,6]C[6,6]H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]2H)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(C[6,6]C[6]2)(H){1|O<2>,5|C<4>,6|H<1>}	H(C[6]C[3,6,6]C[6,6]H)	109.7235	0.011	2	109.7125	0.000	4	109.7125	0.000	4	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]O[5,6]C)(C[6,6]C[5,6,6]C[6]H)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6,6]C[6,6]H)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]C)(C[6,6]C[5,6,6]C[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6,6]HH)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|O<2>,6|C<4>}	H(C[6]C[5,6,6]C[6,6]H)	109.0317	0.141	7	109.0317	0.020	7	109.0317	0.020	7	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6,6]-3:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6]C[5,6,6]HH)(C[6]C[5a,6]HN)(C[6,6]C[6]2)(H)	H(C[6]C[5,6,6]C[6,6]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|N<4>,2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6]C[5,6,6]HH)(C[6]C[5a,6]HN)(C[6,6]C[6]2)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6,6]C[6,6]H)	108.6445	0.053	2	108.6445	0.003	2	108.6445	0.003	2	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,6|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(H){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.1667	0.180	10	109.1667	0.033	10	109.4687	0.254	41	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]C)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,4|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.8813	0.152	7	109.8813	0.023	7	109.4687	0.254	41	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(C[6]C[6]C)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,3|H<1>,3|O<2>}	H(C[6]C[5,6]C[6,6]H)	109.4760	0.000	1	109.4760	0.000	1	109.4687	0.254	41	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]O[6]O)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]O[6]O)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6,6]H)	111.1190	0.000	1	111.1190	0.000	1	109.4687	0.254	41	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6,6]C)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2{1|O<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6,6]C)(H){2|H<1>,4|C<3>,4|C<4>}	H(C[6]C[5,6]C[6,6]H)	108.9550	0.014	2	108.9550	0.000	2	109.4687	0.254	41	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,2|C<3>,2|O<2>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(H){3|C<4>,7|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.0925	0.085	4	109.0925	0.007	4	109.4687	0.254	41	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]N)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]N)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6,6]H)	110.2915	0.006	2	110.2915	0.000	2	109.4687	0.254	41	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]O)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2{1|O<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.9725	0.125	4	109.9725	0.016	4	109.4687	0.254	41	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6,6]H)	109.5777	0.028	3	109.5777	0.001	3	109.4687	0.254	41	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6,6a]O)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>,5|C<3>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[5,6]C[6,6]H)	109.0823	0.113	4	109.0823	0.013	4	109.4687	0.254	41	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6,6a]O)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[5,6]C[6,6]H)	109.1140	0.000	1	108.9900	0.012	3	109.4687	0.254	41	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6,6a]O)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[5,6]C[6,6]H)	108.9280	0.010	2	108.9900	0.012	3	109.4687	0.254	41	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|C<2>,1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.4993	0.870	3	109.5347	2.824	23	109.5347	2.824	23	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6,6]H)	110.4230	0.100	2	109.5347	2.824	23	109.5347	2.824	23	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.7150	0.030	2	109.5347	2.824	23	109.5347	2.824	23	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6,6]H)	110.0809	0.777	14	109.5347	2.824	23	109.5347	2.824	23	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6,6]H)	104.6960	0.318	2	109.5347	2.824	23	109.5347	2.824	23	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(H)2	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6,6a]O)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(H)2{1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6,6a]O)(H){1|C<4>,6|C<3>}	H(C[6]C[5,6]C[6,6]H)	108.6092	0.113	5	108.6092	0.013	5	108.6092	0.013	5	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[4x6]C[6]H)2(H)2	C[6,6](C[4x6]C[5x6]O[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[4x6]C[6]H)2(H)2{3|H<1>,3|O<2>,4|C<4>}	C[6,6](C[4x6]C[5x6]O[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]H)(H){3|H<1>,5|C<4>}	H(C[6]C[6,6]2H)	109.2470	0.563	2	109.2470	0.317	2	109.2470	0.317	2	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5,3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,6|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]2H)	109.7710	0.058	2	109.7540	0.003	3	109.1871	1.948	17	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5,3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,6|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H){2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]2H)	109.7200	0.000	1	109.7540	0.003	3	109.1871	1.948	17	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5,3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2{3|C<3>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]2H)	106.3835	3.577	2	106.3835	12.797	2	109.1871	1.948	17	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5,3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]2H)	109.4845	0.004	2	109.4845	0.000	2	109.1871	1.948	17	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(C[6]C[6,6]2H)	109.3690	0.092	2	109.3690	0.008	2	109.1871	1.948	17	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(C[6]C[6,6]2H)	109.3665	0.019	2	109.5698	0.065	6	109.1871	1.948	17	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,2|O<2>,4|H<1>}	H(C[6]C[6,6]2H)	109.6715	0.260	4	109.5698	0.065	6	109.1871	1.948	17	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2S)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,1|S<4>,2|C<4>,4|C<3>}	C[6,6](C[6,6]C[6]2S)(C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[6,6]2H)	109.5130	0.082	2	109.5130	0.007	2	109.1871	1.948	17	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6,6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)2(H)2	C[6,6](C[6]C[6,6a]CO)(C[6]C[6,6]HH)(C[6,6]C[6]2)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)2(H)2{1|C<4>,1|H<1>,1|N<4>,2|O<2>,5|C<3>}	C[6,6](C[6]C[6,6a]CO)(C[6]C[6,6]HH)(C[6,6]C[6]2)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]2H)	109.4075	1.925	6	109.4075	3.707	6	109.4075	3.707	6	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,3|H<1>}	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)(C[6]C[6]H)(H){3|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9325	0.037	2	108.9325	0.001	2	108.9325	0.001	2	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.8890	0.000	1	109.8890	0.000	1	109.8890	0.000	1	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]CH)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){3|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.4760	0.151	2	108.4760	0.023	2	109.2419	0.316	36	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4810	0.025	2	109.4810	0.001	2	109.2419	0.316	36	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1390	0.144	6	109.1390	0.021	6	109.2419	0.316	36	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|N<4>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9305	0.036	2	108.9305	0.001	2	109.2419	0.316	36	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1960	0.008	2	109.2552	0.035	6	109.2419	0.316	36	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<2>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0850	0.083	2	109.2552	0.035	6	109.2419	0.316	36	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<2>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<2>,2|C<4>,2|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4845	0.012	2	109.2552	0.035	6	109.2419	0.316	36	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5675	0.040	2	109.5675	0.002	2	109.2419	0.316	36	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.5445	0.015	2	109.1784	1.150	8	109.2419	0.316	36	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|O<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5943	1.104	4	109.1784	1.150	8	109.2419	0.316	36	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	107.9805	0.753	2	109.1784	1.150	8	109.2419	0.316	36	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|B<4>,1|C<3>,2|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	109.1500	0.000	1	109.1500	0.000	1	109.2419	0.316	36	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]C)(H){2|C<4>,3|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3210	0.000	1	109.3463	0.001	3	109.2419	0.316	36	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3590	0.008	2	109.3463	0.001	3	109.2419	0.316	36	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HH)(H)2	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.7048	0.017	4	109.7048	0.000	4	109.2419	0.316	36	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]N[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]N[6]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7095	0.890	2	108.7095	0.793	2	108.7095	0.793	2	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.8745	0.013	2	109.7433	0.066	8	109.7433	0.066	8	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	110.0690	0.006	2	109.7433	0.066	8	109.7433	0.066	8	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.5405	0.052	2	109.7433	0.066	8	109.7433	0.066	8	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<2>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4890	0.024	2	109.7433	0.066	8	109.7433	0.066	8	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,5,6]BrH)(H)2	C[6,6](C[5,6,6]C[5,5]O[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,5,6]BrH)(H)2{1|O<1>,1|O<2>,5|C<4>}	C[6,6](C[5,6,6]C[5,5]O[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|Br<1>,1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2055	0.010	4	109.2055	0.000	4	109.3622	0.502	21	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(C[6]O[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(C[6]O[6]O)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.8065	0.005	2	109.8065	0.000	2	109.3622	0.502	21	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.6825	0.069	2	109.6825	0.005	2	109.3622	0.502	21	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,2|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.2026	1.128	8	109.2026	1.272	8	109.3622	0.502	21	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]HH)(C[6]N[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]HH)(C[6]N[6]O)(H){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.6745	0.015	2	109.6745	0.000	2	109.3622	0.502	21	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]N[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[5,6,6]N[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2787	0.049	3	109.2787	0.002	3	109.3622	0.502	21	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<1>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5695	0.016	2	109.5695	0.000	2	108.8548	0.290	12	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.3170	0.016	2	108.5254	0.082	8	108.8548	0.290	12	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.5948	0.302	6	108.5254	0.082	8	108.8548	0.290	12	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]N[5,6]C[6a])(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[5,6,6]C[5,6]N[5,6]C[6a])(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	109.4580	0.059	2	109.4580	0.004	2	108.8548	0.290	12	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HO)(H)2	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HO)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8460	0.024	2	108.8460	0.001	2	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6]HO)(H)2	C[6,6](C[6,6]C[5,5,6,6]HH)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,5,6,6]HH)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	110.0730	1.983	2	110.0730	3.931	2	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.8065	0.033	2	109.8065	0.001	2	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.6718	0.027	4	109.5970	0.014	6	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4475	0.009	2	109.5970	0.014	6	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.2460	0.174	2	108.2460	0.030	2	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(H)2	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]HH)(C[6]C[6]C)(H){1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.4723	0.051	4	108.4723	0.003	4	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(H)2{3|C<3>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.6230	0.000	1	109.6230	0.000	1	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O[6]H)(H)2	C[6,6](C[6,6]C[5]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O[6]H)(H)2{1|O<2>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[5]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.5325	0.009	2	108.5325	0.000	2	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CC)(H)2	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CC)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5730	0.004	2	109.5730	0.000	2	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[3x6]CH)(C[6]C[6]HH)(C[6]O[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[3x6]CH)(C[6]C[6]HH)(C[6]O[6]O)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.4280	0.030	2	109.4280	0.001	2	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|Cl<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8360	0.017	2	109.3419	0.058	12	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4368	0.048	8	109.3419	0.058	12	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.4685	0.021	2	109.3419	0.058	12	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.6480	0.043	6	109.6296	0.004	13	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.6139	0.073	7	109.6296	0.004	13	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.7480	0.033	2	109.5100	0.039	7	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|Cl<1>,1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2740	0.045	2	109.5100	0.039	7	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5087	0.060	3	109.5100	0.039	7	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4510	0.318	10	109.3643	0.124	12	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(H){3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9305	0.005	2	109.3643	0.124	12	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	106.4035	2.664	2	106.4035	7.095	2	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3615	0.026	2	109.5517	0.049	4	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.7420	0.025	2	109.5517	0.049	4	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<2>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.2835	0.012	2	108.2835	0.000	2	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.8150	0.027	4	109.8150	0.001	4	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|Br<1>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.6680	0.099	2	109.6680	0.010	2	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.3960	2.027	2	109.3960	4.107	2	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2675	0.129	6	109.2675	0.017	6	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7250	0.021	2	108.7250	0.000	2	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0973	0.047	4	109.1084	0.018	15	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1125	0.156	11	109.1084	0.018	15	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.2000	0.000	1	108.4306	0.374	7	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.6060	0.386	4	108.4306	0.374	7	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(H){3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	107.6950	0.020	2	108.4306	0.374	7	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4226	0.132	11	109.4226	0.018	11	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1635	0.005	4	109.2213	0.004	9	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2676	0.046	5	109.2213	0.004	9	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3438	0.077	4	109.3438	0.006	4	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{1|Br<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.6955	0.019	2	109.0220	0.142	4	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.3485	0.015	2	109.0220	0.142	4	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]ClH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]ClH)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.9950	0.024	2	109.9950	0.001	2	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]ClH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]ClH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|Cl<1>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.7205	0.021	2	109.7205	0.000	2	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8250	0.129	2	108.8250	0.017	2	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5340	0.000	1	109.5340	0.000	1	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0930	0.000	1	109.0930	0.000	1	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5907	0.163	6	109.5907	0.027	6	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]BrH)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]BrH)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	112.4885	0.421	2	112.4885	0.177	2	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3340	0.052	2	109.3340	0.003	2	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0215	0.985	2	109.0215	0.970	2	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]N[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]N[6]O)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1950	0.000	1	109.1950	0.000	1	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	107.8430	1.727	12	108.2799	2.047	20	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7717	0.062	4	108.2799	2.047	20	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0987	0.216	4	108.2799	2.047	20	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]S)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<1>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]S)(H){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1000	0.048	2	109.1000	0.002	2	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4380	0.006	2	109.2035	0.056	10	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2612	0.094	6	109.2035	0.056	10	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H){3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7960	0.007	2	109.2035	0.056	10	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.3080	0.006	2	109.3080	0.000	2	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|S<2>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.2497	0.070	3	109.4352	0.266	9	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|O<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2087	0.072	4	109.4352	0.266	9	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|O<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	110.1665	0.852	2	109.4352	0.266	9	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.6300	0.013	2	109.4119	0.034	7	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3630	0.121	4	109.4119	0.034	7	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1710	0.000	1	109.4119	0.034	7	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.5462	1.707	16	108.7214	2.583	20	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.4455	1.702	2	108.7214	2.583	20	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3985	0.047	2	108.7214	2.583	20	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]N)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]N)(H){1|O<2>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	106.7730	0.781	2	106.7730	0.609	2	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4865	0.022	2	109.4494	0.060	10	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<2>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2000	0.004	2	109.4494	0.060	10	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.7670	0.020	2	109.4494	0.060	10	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.3967	0.255	4	109.4494	0.060	10	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]H)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	111.5735	0.414	2	111.5735	0.171	2	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]O)(H){1|C<3>,1|S<4>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2660	0.000	1	109.2660	0.000	1	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)(H){4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.6185	0.029	2	109.6185	0.001	2	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1365	0.060	2	109.1365	0.004	2	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]O)(H){3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.5445	0.220	2	109.5445	0.048	2	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.8125	0.623	2	109.6662	0.158	4	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5200	0.025	2	109.6662	0.158	4	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,3|C<3>}	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<2>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.4160	0.000	1	109.4160	0.000	1	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6]HH)(C[6]O[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|O<2>}	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6]HH)(C[6]O[6]O)(H){3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	107.9520	2.335	2	107.9520	5.452	2	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|N<3>,4|H<1>}	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.6905	0.023	2	108.6905	0.001	2	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8085	0.016	2	108.8085	0.000	2	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2555	0.023	2	109.2555	0.001	2	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.9755	0.040	2	109.9755	0.002	2	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]N)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|N<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]N)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.6387	0.057	3	109.6387	0.003	3	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3517	0.239	4	109.2813	0.046	6	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1405	0.015	2	109.2813	0.046	6	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7840	0.025	2	108.7840	0.001	2	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	111.4990	2.432	2	111.4990	5.917	2	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.9850	0.000	1	109.9850	0.000	1	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SiH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SiH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H){1|Si<4>,1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1850	0.035	2	109.1850	0.001	2	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2{2|H<1>,3|C<4>,4|C<3>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	110.9605	0.005	2	110.9605	0.000	2	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.6695	0.135	4	109.6800	0.026	6	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.7010	0.269	2	109.6800	0.026	6	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	C[6,6](C[6,6]C[6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2040	0.933	2	109.2040	0.871	2	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HO)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HO)(H)2{1|C<2>,1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9820	0.008	2	108.9820	0.000	2	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	C[6,6](C[6,6]B[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{1|B<3>,1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]B[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1800	0.018	2	109.1800	0.000	2	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,2|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3133	0.060	3	109.3133	0.004	3	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	110.6080	1.142	6	110.2891	0.897	10	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.8107	0.107	4	110.2891	0.897	10	109.2572	0.903	313	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[3,6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[3,6,6]HH)(H)2{1|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<2>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.2880	0.000	1	109.2880	0.000	1	109.3200	0.286	84	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.5340	0.696	2	108.5340	0.484	2	109.3200	0.286	84	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]C)(H){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9820	0.024	2	108.9820	0.001	2	109.3200	0.286	84	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3920	0.350	3	109.3920	0.123	3	109.3200	0.286	84	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]ClH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]ClH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|Cl<1>,1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3060	0.447	6	109.3060	0.200	6	109.3200	0.286	84	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3680	0.000	1	109.3680	0.000	1	109.3200	0.286	84	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6]S)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|O<1>,1|S<4>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2350	0.615	2	109.2350	0.378	2	109.3200	0.286	84	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.0973	1.323	4	109.2372	0.451	13	109.3200	0.286	84	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<2>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.2895	0.013	2	109.2372	0.451	13	109.3200	0.286	84	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.3021	0.083	7	109.2372	0.451	13	109.3200	0.286	84	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4470	0.000	1	109.2600	0.026	3	109.3200	0.286	84	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,1|S<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1665	0.021	2	109.2600	0.026	3	109.3200	0.286	84	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]O)(H){2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.6150	0.027	2	109.6150	0.001	2	109.3200	0.286	84	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]P)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|P<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]P)(H){2|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.3960	0.016	2	109.3960	0.000	2	109.3200	0.286	84	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]S[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]S[6]C)(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2046	0.387	5	109.2046	0.150	5	109.3200	0.286	84	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2985	0.091	8	109.2985	0.008	8	109.3200	0.286	84	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.7078	0.163	4	109.3005	0.551	22	109.3200	0.286	84	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.6525	0.032	2	109.3005	0.551	22	109.3200	0.286	84	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.7365	0.692	4	109.3005	0.551	22	109.3200	0.286	84	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8365	0.712	2	109.3005	0.551	22	109.3200	0.286	84	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8525	1.341	2	109.3005	0.551	22	109.3200	0.286	84	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9407	0.944	6	109.3005	0.551	22	109.3200	0.286	84	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.2530	0.034	2	109.3005	0.551	22	109.3200	0.286	84	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(N[6]C[6]S)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|O<2>,1|S<4>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3355	0.022	2	109.3355	0.000	2	109.3200	0.286	84	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.5867	0.017	4	109.5867	0.000	4	109.3200	0.286	84	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(N[6]C[6]P)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(H)2{1|H<1>,1|P<4>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(N[6]C[6]P)(H){1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	110.1505	0.019	2	110.1505	0.000	2	109.3200	0.286	84	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.6208	0.113	4	109.6208	0.013	4	109.3200	0.286	84	109.2835	0.797	586	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[3,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[3,6,6]C[3,6]C[3x6]O[3])(C[6,6]C[6,6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[3,6,6]HH)(C[6]C[6]O)(OH)	H(C[6]C[3,6,6]C[6,6]H)	C[6](C[3,6,6]C[3,6]C[3x6]O[3])(C[6,6]C[6,6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[3,6,6]HH)(C[6]C[6]O)(OH){1|H<1>,1|O<2>,2|C<3>,5|C<4>}	H(C[6]C[3,6,6]C[6,6]H)	108.1315	0.008	2	108.1315	0.000	2	108.1315	0.000	2	108.9386	0.363	104	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]C)(C[6,6]C[3x6]C[6]O)(H)2	C[6,6](C[3x6]C[5,3x6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6]O)(OH)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]O[5,6]O[5]C)(C[6,6]C[3x6]C[6]O)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[3x6]C[5,3x6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6]O)(OH){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6,6]H)	108.6375	0.052	2	108.6375	0.003	2	108.6375	0.003	2	108.9386	0.363	104	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]O)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(OH)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]O)(H)2{1|H<1>,1|O<2>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(OH){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[5,6]C[6,6]H)	108.8335	0.037	2	108.8335	0.001	2	108.8335	0.001	2	108.9386	0.363	104	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6,6]C[6,6]2H)(H)2	C[6,6](C[5,6,6]C[5,6]O[5]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)(OH)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|O<1>,2|O<2>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]O[5]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)(OH){1|C<3>,2|H<1>,6|C<4>}	H(C[6]C[6,6]2H)	109.2135	0.018	2	109.2135	0.000	2	109.2135	0.000	2	108.9386	0.363	104	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(OH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0470	0.100	2	109.0470	0.010	2	109.0470	0.010	2	108.9386	0.363	104	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:N[6]-3:O-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]N[6]O)(C[6]C[6]CH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]C)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]N[6]O)(C[6]C[6]CH)(H)2{2|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]C)(OH){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	107.2155	2.297	2	107.2155	5.278	2	107.2155	5.278	2	108.9386	0.363	104	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6,6]HH)(H)2	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(OH){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.7555	0.009	2	108.7555	0.000	2	109.0495	0.109	45	108.9386	0.363	104	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(H)2	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OC)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OC){3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1640	0.136	4	109.1640	0.019	4	109.0495	0.109	45	108.9386	0.363	104	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(H)2	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OC)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OC){3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4535	0.043	2	109.4535	0.002	2	109.0495	0.109	45	108.9386	0.363	104	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OC)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OC){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.6700	0.000	2	109.6700	0.000	2	109.0495	0.109	45	108.9386	0.363	104	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2882	0.118	5	109.3056	0.010	7	109.0495	0.109	45	108.9386	0.363	104	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.3490	0.016	2	109.3056	0.010	7	109.0495	0.109	45	108.9386	0.363	104	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(OH){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7355	0.025	2	108.7355	0.001	2	109.0495	0.109	45	108.9386	0.363	104	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH){2|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.2015	0.016	2	109.1647	0.002	4	109.0495	0.109	45	108.9386	0.363	104	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1280	0.037	2	109.1647	0.002	4	109.0495	0.109	45	108.9386	0.363	104	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]N)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]N)(OH){1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9725	0.115	4	108.9725	0.013	4	109.0495	0.109	45	108.9386	0.363	104	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(OH){2|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.6605	0.129	4	108.6853	0.010	7	109.0495	0.109	45	108.9386	0.363	104	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<2>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.7183	0.027	3	108.6853	0.010	7	109.0495	0.109	45	108.9386	0.363	104	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(OH){1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.5877	0.324	4	108.5877	0.105	4	109.0495	0.109	45	108.9386	0.363	104	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]N)(ON)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|N<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]N)(ON){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4660	0.008	2	109.4660	0.000	2	109.0495	0.109	45	108.9386	0.363	104	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(OH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0810	0.103	4	109.1150	0.014	5	109.0495	0.109	45	108.9386	0.363	104	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(OH){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2510	0.000	1	109.1150	0.014	5	109.0495	0.109	45	108.9386	0.363	104	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(O[6]C[6]){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.3370	0.020	2	108.3370	0.000	2	108.5877	0.084	4	108.9386	0.363	104	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(O[6]N[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(O[6]N[6]){1|C<2>,1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8385	0.026	2	108.8385	0.001	2	108.5877	0.084	4	108.9386	0.363	104	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:C-2:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(CC)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6]CH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(CC){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9920	0.007	2	108.9920	0.000	2	108.9920	0.000	2	108.9386	0.363	104	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]N[6]C)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]N[6]C)(OH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0155	0.047	2	109.0155	0.002	2	108.3435	1.696	6	108.9386	0.363	104	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(OH){1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	106.8205	1.218	2	106.8205	1.484	2	108.3435	1.696	6	108.9386	0.363	104	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(OO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(OO){1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1945	0.022	2	109.1945	0.000	2	108.3435	1.696	6	108.9386	0.363	104	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]2)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]O[6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]2)(O[6]C[6]){3|C<3>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.9940	0.000	1	108.9940	0.000	1	108.9940	0.000	1	108.9386	0.363	104	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:N[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]HH)2(C[6]N[6]O)(N[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6]C[6]HH)2(C[6]N[6]O)(N[6]C[6]){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.3847	0.921	4	108.3847	0.848	4	108.3847	0.848	4	108.9386	0.363	104	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]HH)(C[6]C[6]HO)(C[6]C[6]O)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[6]HH)(C[6]C[6]HO)(C[6]C[6]O)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.6593	0.101	4	109.6593	0.010	4	109.3031	0.099	10	108.9386	0.363	104	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]HH)2(C[6]C[6]C)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6]HH)2(C[6]C[6]C)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0990	0.020	4	109.0990	0.000	4	109.3031	0.099	10	108.9386	0.363	104	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(O[6]C[6]){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9990	0.031	2	108.9990	0.001	2	109.3031	0.099	10	108.9386	0.363	104	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:N[6]-2:	C[6]-4:	C[6](C[6,6]C[6]N[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]HH)2(N[6]C[6]2)(N[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]N[6]2)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6]C[6]HH)2(N[6]C[6]2)(N[6]C[6]){1|Ta<12>,1|C<5>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2684	0.206	8	109.2775	0.029	12	109.2775	0.029	12	108.9386	0.363	104	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:N[6]-2:	C[6]-4:	C[6](C[6,6]C[6]N[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]HH)2(N[6]C[6]2)(N[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]N[6]2)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6]HH)2(N[6]C[6]2)(N[6]C[6]){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2957	0.073	4	109.2775	0.029	12	109.2775	0.029	12	108.9386	0.363	104	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S[6]-3:S[6]-2:	C[6]-4:	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]CH)(H)2	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(S[6]C[6]O)(S[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]CH)(H)2{1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(S[6]C[6]O)(S[6]C[6]){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.9380	0.014	2	108.8670	0.005	8	108.8670	0.005	8	108.9386	0.363	104	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S[6]-3:S[6]-2:	C[6]-4:	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]CH)(H)2	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(S[6]C[6]O)(S[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]CH)(H)2{1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(S[6]C[6]O)(S[6]C[6]){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8433	0.070	6	108.8670	0.005	8	108.8670	0.005	8	108.9386	0.363	104	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[5,6,6]C[5,6]2C[6])(C[6,6]C[6]3)(H)2	C[6,6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]H)2	H(C[6]C[5,6,6]C[6,6]H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6,6]C[6]3)(H)2{1|O<2>,2|C<4>,3|C<3>,8|H<1>}	C[6,6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6,6]H)	108.3930	0.004	2	108.3930	0.000	2	108.3930	0.000	2	108.8955	0.228	69	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]3)(H)2	C[6,6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]H)2	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]3)(H)2{1|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6,6]H)	108.8650	0.011	2	108.8650	0.000	2	108.8650	0.000	2	108.8955	0.228	69	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:3:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]3)(H)2	C[6,6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(C[6]N[6]O)2	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]3)(H)2{1|C<4>,1|O<2>,2|C<3>,2|N<3>,2|O<1>,4|H<1>}	C[6,6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(C[6]N[6]O)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6]C[6,6]2H)	108.5882	0.050	6	108.5882	0.002	6	108.5882	0.002	6	108.8955	0.228	69	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]N[6]O)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]N[6]O)(COO){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2527	0.340	4	109.2527	0.116	4	109.2527	0.116	4	108.8955	0.228	69	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]H)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]H)(COO){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.8955	0.070	2	109.8955	0.005	2	109.8955	0.005	2	108.8955	0.228	69	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(COO){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1160	0.033	2	109.1160	0.001	2	108.6696	0.163	16	108.8955	0.228	69	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]C[6a]H)(H)2	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6]HH)(C[6]O[6]O)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]C[6a]H)(H)2{1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6]HH)(C[6]O[6]O)(COO){1|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	108.5160	0.027	2	108.5160	0.001	2	108.6696	0.163	16	108.8955	0.228	69	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(COO){2|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	108.7950	0.024	4	108.7950	0.001	4	108.6696	0.163	16	108.8955	0.228	69	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(COO){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.1072	0.328	4	108.1072	0.107	4	108.6696	0.163	16	108.8955	0.228	69	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(COO){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9603	0.060	4	108.9603	0.004	4	108.6696	0.163	16	108.8955	0.228	69	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(COO){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.5310	0.000	1	108.5310	0.000	1	108.5310	0.000	1	108.8955	0.228	69	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]CH)(H)2	C[6,6](C[6]C[6]HH)2(C[6]N[6]O)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]CH)(H)2{1|C<4>,2|N<3>,2|O<1>,4|H<1>}	C[6,6](C[6]C[6]HH)2(C[6]N[6]O)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4230	0.000	1	109.4230	0.000	1	109.2729	0.019	15	108.8955	0.228	69	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(C[6]C[6]O)(C[6]O[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(C[6]C[6]O)(C[6]O[6]O){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2878	0.043	4	109.2878	0.002	4	109.2729	0.019	15	108.8955	0.228	69	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(C[6]C[6]C)(C[6]C[6]H){1|Br<1>,1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1913	0.035	3	109.2877	0.016	7	109.2729	0.019	15	108.8955	0.228	69	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(C[6]C[6]C)(C[6]C[6]H){1|Br<1>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3600	0.121	4	109.2877	0.016	7	109.2729	0.019	15	108.8955	0.228	69	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]HH)2(C[6]N[6]O)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,2|O<1>,4|H<1>}	C[6,6](C[6]C[6]HH)2(C[6]N[6]O)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2965	0.049	2	109.2965	0.002	2	109.2729	0.019	15	108.8955	0.228	69	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(C[6]O[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(C[6]O[6]O){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9130	0.000	1	108.9130	0.000	1	109.2729	0.019	15	108.8955	0.228	69	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6a]HH)(C[6]C[6]HH)(C[6]N[6]O)(N[6]C[6]C)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6]C[6]HH)(C[6]N[6]O)(N[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4565	0.006	2	109.4565	0.000	2	108.7328	0.302	18	108.8955	0.228	69	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]HH)(C[6]C[6]HO)(C[6]C[6]O)(N[6]C[6]S)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,1|S<4>,3|C<4>,3|H<1>}	C[6,6](C[6]C[6]HH)(C[6]C[6]HO)(C[6]C[6]O)(N[6]C[6]S){2|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.1694	0.154	8	108.1694	0.024	8	108.7328	0.302	18	108.8955	0.228	69	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]HH)2(C[6]N[6]O)(N[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6,6](C[6]C[6]HH)2(C[6]N[6]O)(N[6]C[6]H){1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1154	0.172	8	109.1154	0.030	8	108.7328	0.302	18	108.8955	0.228	69	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6]N[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]HH)2(N[6]C[6]2)(N[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]N[6]2)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6]C[6]HH)2(N[6]C[6]2)(N[6]C[6]H){1|C<3>,1|N<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1383	0.055	3	109.1383	0.003	3	109.1383	0.003	3	108.8955	0.228	69	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[3,6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(H)2	C[6,6](C[6]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]O)(CHHS)	H(C[6]C[3,6,6]C[6,6]H)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(H)2{1|O<1>,3|H<1>,5|C<4>}	C[6,6](C[6]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]O)(CHHS){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[3,6,6]C[6,6]H)	108.6945	0.377	2	108.6945	0.142	2	108.6945	0.142	2	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]C[6]C)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]O)(CHHS)	H(C[6]C[3,6]C[6,6]H)	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]C[6]C)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]O)(CHHS){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[3,6]C[6,6]H)	108.4550	0.055	4	108.4550	0.003	4	108.4550	0.003	4	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[5,6]C[6,6]H)	108.7460	0.000	1	108.7460	0.000	1	108.7915	0.004	2	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]O)(CH3){1|C<4>,2|C<3>,3|H<1>,3|O<2>}	H(C[6]C[5,6]C[6,6]H)	108.8370	0.000	1	108.8370	0.000	1	108.7915	0.004	2	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:B[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(B[6,6]C[6]O[6]2)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]B[6,6]HH)(C[6]C[6]H)(CH3)	H(C[6]B[6,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]C)(B[6,6]C[6]O[6]2)(H)2{1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]B[6,6]HH)(C[6]C[6]H)(CH3){1|H<1>,2|O<2>,3|C<4>}	H(C[6]B[6,6]C[6,6]H)	109.0378	0.124	4	109.0378	0.015	4	109.0378	0.015	4	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(C[6]N[6]O)(CH3)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(H)2{1|N<2>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(C[6]N[6]O)(CH3){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]2H)	109.1565	0.012	2	109.1565	0.000	2	109.1565	0.000	2	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3,6,6]C[3,6]2H)(C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[3,6,6]C[3,6]2H)(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.0435	0.071	2	108.0435	0.005	2	108.6635	0.514	4	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3,6,6]C[3,6]C[5,6]C[3])(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,5|C<4>}	C[6,6](C[3,6,6]C[3,6]C[5,6]C[3])(C[6]C[6]HH)(C[6]C[6]O)(CH3){3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.2835	0.013	2	109.2835	0.000	2	108.6635	0.514	4	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<4>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2470	0.006	2	109.2470	0.000	2	109.1219	0.009	14	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)(CCHO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)(CCHO){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0837	0.025	4	109.0837	0.001	4	109.1219	0.009	14	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9520	0.054	2	108.9520	0.003	2	109.1219	0.009	14	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1497	0.020	4	109.1497	0.000	4	109.1219	0.009	14	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1875	0.042	2	109.1875	0.002	2	109.1219	0.009	14	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[4x6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[4x6]C[5x6]C[6,6]H)(C[6]C[6]HH)(C[6]N[6]O)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[4x6]C[5x6]C[6,6]H)(C[6]C[6]HH)(C[6]N[6]O)(CH3){1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.1585	0.630	2	108.1585	0.397	2	108.1585	0.397	2	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,5,3x6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[5,5,3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,5,3x6]C[5,5,6,6]N[5,6,6]O[5,5])(C[6]C[6]HH)(C[6]N[6]O)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,3x6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	C[6,6](C[5,5,3x6]C[5,5,6,6]N[5,6,6]O[5,5])(C[6]C[6]HH)(C[6]N[6]O)(CH3){2|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8340	0.021	2	108.8340	0.000	2	108.8340	0.000	2	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.7545	0.029	2	108.7545	0.001	2	108.5480	0.192	7	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CCCH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CCCH){5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6790	0.018	2	108.6790	0.000	2	108.5480	0.192	7	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|B<3>,1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0890	0.000	1	109.0890	0.000	1	108.5480	0.192	7	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]O[6]CC)(H)2	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]O[6]CC)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	107.9400	0.028	2	107.9400	0.001	2	108.5480	0.192	7	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6,6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0525	0.022	2	109.0525	0.000	2	108.7003	0.556	191	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.5810	0.025	2	108.8392	0.094	4	108.7003	0.556	191	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0975	0.122	2	108.8392	0.094	4	108.7003	0.556	191	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8870	0.000	1	108.8870	0.000	1	108.7003	0.556	191	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]O[6]C)(C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6]O[6]C)(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0425	0.066	4	109.0425	0.004	4	108.7003	0.556	191	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]CH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0350	0.000	1	109.0350	0.000	1	108.7003	0.556	191	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.5213	0.047	3	108.7238	0.040	21	108.7003	0.556	191	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9583	0.060	6	108.7238	0.040	21	108.7003	0.556	191	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8215	0.039	4	108.7238	0.040	21	108.7003	0.556	191	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.5750	0.121	8	108.7238	0.040	21	108.7003	0.556	191	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]N)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]N)(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1840	0.045	3	109.1840	0.002	3	108.7003	0.556	191	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.6123	0.078	3	108.8792	0.138	5	108.7003	0.556	191	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2795	0.077	2	108.8792	0.138	5	108.7003	0.556	191	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CHHO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CHHO){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1350	0.013	2	109.1350	0.000	2	108.7003	0.556	191	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]N[6]O)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1068	0.090	9	109.1068	0.008	9	108.7003	0.556	191	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.3540	0.014	2	108.3540	0.000	2	108.7003	0.556	191	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CC[6a]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CC[6a]HH){3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	107.1874	1.828	8	107.1874	3.341	8	108.7003	0.556	191	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3){1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.2565	0.008	2	108.3263	0.013	37	108.7003	0.556	191	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.2613	0.047	4	108.3263	0.013	37	108.7003	0.556	191	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3){2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.3308	0.131	11	108.3263	0.013	37	108.7003	0.556	191	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3){3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.3438	0.113	20	108.3263	0.013	37	108.7003	0.556	191	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1310	0.135	6	109.1310	0.018	6	108.7003	0.556	191	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9655	0.040	2	108.9655	0.002	2	108.7003	0.556	191	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.6860	0.004	2	108.6860	0.000	2	108.7003	0.556	191	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0205	0.016	2	109.3325	0.061	6	108.7003	0.556	191	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,2|O<1>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4885	0.064	4	109.3325	0.061	6	108.7003	0.556	191	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(CH3){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9605	0.021	2	108.9605	0.000	2	108.7003	0.556	191	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(CHHO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6550	0.013	2	108.6550	0.000	2	108.7003	0.556	191	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.5970	0.020	2	108.5970	0.000	2	108.7003	0.556	191	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9795	0.060	2	108.8877	0.675	50	108.7003	0.556	191	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0205	0.056	2	108.8877	0.675	50	108.7003	0.556	191	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|S<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5255	0.781	2	108.8877	0.675	50	108.7003	0.556	191	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.5219	1.197	20	108.8877	0.675	50	108.7003	0.556	191	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1146	0.131	22	108.8877	0.675	50	108.7003	0.556	191	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1880	0.025	2	108.8877	0.675	50	108.7003	0.556	191	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0155	0.047	2	108.9868	0.002	6	108.7003	0.556	191	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,2|O<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.0040	0.011	2	108.9868	0.002	6	108.7003	0.556	191	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|O<2>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.9410	0.038	2	108.9868	0.002	6	108.7003	0.556	191	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CHHO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CHHO){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9755	0.012	2	108.9755	0.000	2	108.7003	0.556	191	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.5915	0.015	2	108.5915	0.000	2	108.7003	0.556	191	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.3320	0.024	2	108.9128	0.160	8	108.7003	0.556	191	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.8473	0.440	4	108.9128	0.160	8	108.7003	0.556	191	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.6245	0.032	2	108.9128	0.160	8	108.7003	0.556	191	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]O[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[6,6](C[6,6]O[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	106.6470	1.734	2	106.6470	3.006	2	108.7003	0.556	191	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:Si-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]Si)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(SiC3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]Si)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(SiC3){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1610	0.336	5	109.1610	0.113	5	109.1610	0.113	5	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]C)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]C)(CH3){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.9908	0.018	4	108.9908	0.000	4	109.1685	0.076	6	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]H)(CH3){2|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5240	0.030	2	109.5240	0.001	2	109.1685	0.076	6	108.7429	0.476	245	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3,5,6]C[3,5,6,6]C[3,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[3x6]HH)(C[6]C[3,5,6]HH)(C[6]C[6,6]HH)(H)	H(C[6]C[3,5,6]C[6,6]H)	C[6](C[3,5,6]C[3,5,6,6]C[3,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2{3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(C[6]C[3,5,6]HH)(C[6]C[6,6]HH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[3,5,6]C[6,6]H)	108.8910	0.042	2	108.8910	0.002	2	108.8910	0.002	2	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6]C[3,6,6]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[3,6,6]C[6,6]H)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6]C[3,6,6]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[3,6,6]C[6,6]H)	108.5685	0.147	4	108.5685	0.021	4	108.5685	0.021	4	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,6]-4:C[6,6]-4:Cl-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(Cl)(H)	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]ClH)(H)	H(C[6]C[3,6]C[6,6]Cl)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(Cl)(H){2|H<1>,5|C<4>}	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]ClH)(H){1|C<3>,1|O<2>,4|H<1>,7|C<4>}	H(C[6]C[3,6]C[6,6]Cl)	109.0130	0.000	1	109.0130	0.000	1	109.0130	0.000	1	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)	H(C[6]C[3,6]C[6,6]H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6]C[3,6]C[6,6]H)	109.1130	1.630	6	109.1642	1.907	8	109.2078	1.491	10	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)	H(C[6]C[3,6]C[6,6]H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	H(C[6]C[3,6]C[6,6]H)	109.3180	0.023	2	109.1642	1.907	8	109.2078	1.491	10	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)	H(C[6]C[3,6]C[6,6]H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H){1|C<3>,2|O<2>,4|H<1>,6|C<4>}	H(C[6]C[3,6]C[6,6]H)	109.3820	0.013	2	109.3820	0.000	2	109.2078	1.491	10	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,5,6,6]C[3,5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[3x6]HH)(C[6]C[3,6]HH)(C[6]C[6,6]HH)(H)	H(C[6]C[3,6]C[6,6]H)	C[6](C[3,6]C[3,5,6,6]C[3,5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(C[6]C[3,6]HH)(C[6]C[6,6]HH)(H){3|H<1>,4|C<4>}	H(C[6]C[3,6]C[6,6]H)	108.3935	0.035	2	108.3935	0.001	2	108.7728	0.092	29	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,5,6,6]O[3]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[3,6]HH)(C[6]C[6]CH)(H)	H(C[6]C[3,6]C[6,6]H)	C[6](C[3,6]C[3,5,6,6]O[3]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[3,6]HH)(C[6]C[6]CH)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[3,6]C[6,6]H)	109.0554	0.169	5	109.0554	0.029	5	108.7728	0.092	29	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(C[6]C[6]CC)(H)	H(C[6]C[3,6]C[6,6]H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[3,6]C[6,6]H)	109.0195	0.043	2	109.0195	0.002	2	108.7728	0.092	29	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]CH)(H)	H(C[6]C[3,6]C[6,6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[3,6]C[6,6]H)	108.2235	0.016	2	108.2235	0.000	2	108.7728	0.092	29	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[3,6]C[6,6]H)	C[6](C[3,6]C[3,6]N[3]H)(C[6,6]C[6,6]C[6]H)(H)2{1|S<4>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,6|H<1>}	H(C[6]C[3,6]C[6,6]H)	109.0500	0.011	2	109.0500	0.000	2	108.7728	0.092	29	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[3,6]C[6,6]H)	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[3,6]C[6,6]H)	108.6010	0.008	2	108.5683	0.002	4	108.7728	0.092	29	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[3,6]C[6,6]H)	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[3,6]C[6,6]H)	108.5355	0.015	2	108.5683	0.002	4	108.7728	0.092	29	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]CC)(H)	H(C[6]C[3,6]C[6,6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<2>,1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,2|O<2>,5|H<1>}	H(C[6]C[3,6]C[6,6]H)	109.0078	0.161	6	109.0078	0.026	6	108.7728	0.092	29	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]O[6]HH)(H)	H(C[6]C[3,6]C[6,6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]O[6]HH)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[3,6]C[6,6]H)	108.5737	0.051	6	108.5737	0.003	6	108.7728	0.092	29	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[6,6]-4:Cl-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(Cl)(H)	C[6,6](C[6]C[5,5,6]ClH)(C[6,6]C[6,6]HH)(C[6]C[6]Cl2)(H)	H(C[6]C[5,5,6]C[6,6]Cl)	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(Cl)(H){2|Cl<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6]C[5,5,6]ClH)(C[6,6]C[6,6]HH)(C[6]C[6]Cl2)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[5,5,6]C[6,6]Cl)	108.2450	0.000	1	108.2450	0.000	1	108.2450	0.000	1	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6,6]C[5,6,6]C[6]H)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]O)(C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H)	H(C[6]C[5,6,6]C[6,6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6,6]C[5,6,6]C[6]H)(H)2{2|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]O)(C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H){2|C<3>,7|C<4>}	H(C[6]C[5,6,6]C[6,6]H)	109.5710	0.044	2	109.5710	0.002	2	109.5710	0.002	2	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[3,5,6]O[5,6]O[6])(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6,6]HH)(H)	H(C[6]C[5,6,6]C[6,6]H)	C[6](C[5,6,6]C[3,5,6]O[5,6]O[6])(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|O<2>,7|C<4>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6,6]HH)(H){3|O<2>,5|C<4>,5|H<1>}	H(C[6]C[5,6,6]C[6,6]H)	109.4785	0.013	2	109.4785	0.000	2	109.4785	0.000	2	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]I)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]N[5,6,6]HH)(C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[5,6,6]C[6,6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]I)(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]N[5,6,6]HH)(C[6]C[5,6,6]HH)(C[6]C[6]HH)(H){1|H<1>,1|I<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6,6]C[6,6]H)	108.8139	0.244	28	108.8139	0.060	28	108.8139	0.060	28	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6]C[5,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	H(C[6]C[5,6,6]C[6,6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|O<2>,5|C<4>,7|H<1>}	C[6,6](C[6]C[5,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|C<3>,2|H<1>,6|C<4>}	H(C[6]C[5,6,6]C[6,6]H)	109.1315	0.023	2	109.1315	0.001	2	109.1315	0.001	2	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:Br-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6]C[5,6,6]C[6,6]H)(Br)(H)	C[6,6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[5,6]BrH)(H)	H(C[6]C[5,6]C[6,6]Br)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6]C[5,6,6]C[6,6]H)(Br)(H){4|H<1>,7|C<4>}	C[6,6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[5,6]BrH)(H){1|Br<1>,5|C<4>,7|H<1>}	H(C[6]C[5,6]C[6,6]Br)	106.3740	0.000	1	106.3740	0.000	1	106.3740	0.000	1	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]N[5]C)(C[6,6]C[3x6]C[6]H)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6,6]N[5]C)(C[6,6]C[3x6]C[6]H)(H)2{1|C<3>,1|N<3>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){2|N<3>,4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6,6]H)	110.3810	1.405	4	110.3810	1.975	4	110.3817	1.186	6	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3x6]C[6]H)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3x6]C[6]H)(H)2{1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6,6]H)	110.3830	0.083	2	110.3830	0.007	2	110.3817	1.186	6	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[3,5]O)(C[6,6]C[5,6,6]C[5,6]H)(H)2	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]C[3,5]C[5,6]C)(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6,6]C[3,5]O)(C[6,6]C[5,6,6]C[5,6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]C[3,5]C[5,6]C)(C[6]C[5,6]HH)(H){1|O<2>,2|H<1>,4|C<4>,5|C<3>}	H(C[6]C[5,6]C[6,6]H)	109.0350	0.000	1	109.0350	0.000	1	109.0350	0.000	1	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[5,6]C[6,6]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[5,6]C[6,6]H)(H)2{3|C<3>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H){1|C<3>,1|N<2>,2|C<4>,2|O<2>,5|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.0180	0.000	1	109.0180	0.000	1	109.0180	0.000	1	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[5,6]C[6,6]H)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[5,6]C[6,6]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6]C[5,6]C[6,6]H)	109.5377	0.081	3	109.5377	0.007	3	109.4758	0.020	4	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]S[5]H)(C[6,6]C[5,6]C[6,6]H)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6,6]S[5]H)(C[6,6]C[5,6]C[6,6]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H){1|C<3>,1|S<2>,5|H<1>,6|C<4>}	H(C[6]C[5,6]C[6,6]H)	109.2900	0.000	1	109.2900	0.000	1	109.4758	0.020	4	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]2H)(H)2{2|C<3>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[5,6]C[6,6]H)	108.8730	0.004	2	108.8730	0.000	2	109.5430	0.440	24	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]2H)(H)2{1|H<1>,8|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[5,6]HH)(H){2|O<2>,5|H<1>,6|C<4>}	H(C[6]C[5,6]C[6,6]H)	109.8247	0.099	8	109.8247	0.010	8	109.5430	0.440	24	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2H)(H)2{4|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){2|O<2>,4|C<4>,7|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.8200	0.044	2	109.8200	0.002	2	109.5430	0.440	24	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]2)(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]2)(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,8|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H){2|O<2>,5|C<4>,6|H<1>}	H(C[6]C[5,6]C[6,6]H)	110.8305	0.747	2	110.8305	0.559	2	109.5430	0.440	24	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]2H)(H)2{1|C<3>,8|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[5,6]HH)(H){2|C<3>,2|O<2>,4|C<4>,5|H<1>}	H(C[6]C[5,6]C[6,6]H)	108.7005	0.056	2	108.7005	0.003	2	109.5430	0.440	24	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|O<2>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H){2|C<3>,2|O<2>,3|C<4>,6|H<1>}	H(C[6]C[5,6]C[6,6]H)	108.3985	0.008	2	108.3985	0.000	2	109.5430	0.440	24	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){1|C<3>,2|H<1>,4|C<4>,6|O<2>}	H(C[6]C[5,6]C[6,6]H)	109.7082	0.152	4	109.7082	0.023	4	109.5430	0.440	24	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5a]O[5])(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6,6]CH)(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]O[5,6]C[5a]O[5])(C[6,6]C[6,6]2H)(H)2{1|H<1>,2|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6,6]CH)(C[6]C[5,6]HH)(H){1|C<3>,3|C<4>,3|H<1>,3|O<2>}	H(C[6]C[5,6]C[6,6]H)	109.1785	0.045	2	109.1785	0.002	2	109.5430	0.440	24	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]HH)2(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]HH)2(H){1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.0935	0.009	2	109.0935	0.000	2	109.1175	0.640	40	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]CC)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,3|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]CC)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.1445	0.032	2	109.1445	0.001	2	109.1175	0.640	40	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6,6]H)	107.9100	0.006	2	107.9100	0.000	2	109.1175	0.640	40	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,8|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	H(C[6]C[5,6]C[6,6]H)	108.3995	0.006	2	108.3995	0.000	2	109.1175	0.640	40	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]CC)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2{1|O<1>,2|C<3>,6|C<4>}	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]CC)(H){3|C<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6,6]H)	108.8935	0.006	2	108.8935	0.000	2	109.1175	0.640	40	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){5|C<4>,5|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.2960	0.020	2	109.2960	0.000	2	109.1175	0.640	40	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2{2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6,6]H)	108.8800	0.024	2	108.8800	0.001	2	109.1175	0.640	40	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6,6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[5,6]C[6,6]H)	108.0010	0.578	2	108.0010	0.335	2	109.1175	0.640	40	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.4420	0.503	2	109.4420	0.253	2	109.1175	0.640	40	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]CC)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]CC)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6,6]H)	108.3470	0.020	2	108.3470	0.000	2	109.1175	0.640	40	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{3|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6,6]H)	108.7970	0.074	2	108.7970	0.005	2	109.1175	0.640	40	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]HH)2(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{3|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]HH)2(H){1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6,6]H)	108.3620	0.024	2	108.3620	0.001	2	109.1175	0.640	40	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6,6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6,6]H)	110.0275	0.500	2	110.0275	0.250	2	109.1175	0.640	40	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6,6]H)	110.6630	0.129	2	110.6630	0.017	2	109.1175	0.640	40	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.6900	0.000	1	109.6900	0.000	1	109.1175	0.640	40	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.3957	0.050	4	109.3957	0.002	4	109.1175	0.640	40	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]2C[6])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6a]2C[6])(C[6,6]C[6,6]C[6]H)(H)2{4|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6,6]H)	108.6970	0.000	1	108.6970	0.000	1	109.1175	0.640	40	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[5,6]C[6,6]H)	110.4130	1.827	2	110.4130	3.339	2	109.1175	0.640	40	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.2960	0.014	2	109.2960	0.000	2	109.1175	0.640	40	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CC)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<2>,1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CC)(H){1|N<3>,2|C<4>,2|O<1>,3|H<1>}	H(C[6]C[5,6]C[6,6]H)	108.9150	0.000	1	108.9150	0.000	1	109.1175	0.640	40	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.8830	0.000	1	109.8830	0.000	1	109.1175	0.640	40	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6,6]N[6]H)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(N[6]C[6]CH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6,6]N[6]H)(H)2{2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(N[6]C[6]CH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.7330	2.288	2	109.7330	5.236	2	109.7330	5.236	2	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6,6]H)	108.7710	0.480	8	108.7710	0.230	8	109.2121	0.336	16	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.6531	0.215	8	109.6531	0.046	8	109.2121	0.336	16	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:N[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]N[6,6]C[6]H)(H)2	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]N[6,6]C[6]H)(H)2{1|N<3>,3|H<1>,7|C<4>}	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){2|O<2>,4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.7395	0.033	2	109.7395	0.001	2	109.7395	0.001	2	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:B[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(B[6,6]C[6]O[6]2)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]B[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]B[6,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(B[6,6]C[6]O[6]2)(H)2{1|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]B[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|C<4>}	H(C[6]B[6,6]C[6,6]H)	108.6587	0.294	4	108.6587	0.086	4	108.6587	0.086	4	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:B[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(B[6]C[6a]2O[6])(H)2	C[6,6](C[5,6,6]C[5,6]2H)(C[6]B[6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]B[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(B[6]C[6a]2O[6])(H)2{2|C<4>,3|H<1>,5|C<3>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]B[6]HH)(C[6]C[6]HH)(H){1|P<4>,2|H<1>,2|O<2>,4|C<3>}	H(C[6]C[6,6]B[6]H)	109.1650	0.048	2	109.1650	0.002	2	109.1650	0.002	2	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:B[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(B[6]C[6]CO)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]B[6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]B[6]H)	C[6](C[6,6]C[6,6]C[6]H)(B[6]C[6]CO)(H)2{2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]B[6]HH)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]B[6]H)	108.2698	2.178	8	108.2698	4.743	8	108.2698	4.743	8	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[3,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]2C[6])(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[3,6]HH)2(H)	H(C[6]C[3,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]2C[6])(H)2{2|Cl<1>,2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[3,6]HH)2(H){7|C<4>}	H(C[6]C[3,6]C[6,6]H)	108.5913	0.048	4	108.5913	0.002	4	108.5913	0.002	4	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[4,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[4,6]C[4]2C[6])(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[4,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[4,6]C[4]2C[6])(H)2{1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[4,6]HH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[4,6]C[6,6]H)	109.2627	0.090	4	109.2627	0.008	4	109.2627	0.008	4	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,6]O[5]H)(H)2	C[6,6](C[3,6,6]C[3,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,6]O[5]H)(H)2{1|H<1>,2|C<3>,6|C<4>}	C[6,6](C[3,6,6]C[3,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H){1|O<2>,6|C<4>,7|H<1>}	H(C[6]C[5,6]C[6,6]H)	107.7715	0.028	2	107.7715	0.001	2	107.7715	0.001	2	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[5,6]C[5,6]O[5]O)(H)2	C[6,6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[5,6]C[5,6]O[5]O)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){1|C<3>,4|C<4>,4|O<2>,7|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.2255	0.050	2	109.2255	0.003	2	109.2255	0.003	2	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]O[5]2)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]O[5]2)(H)2{1|H<1>,2|C<3>,7|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,7|H<1>}	H(C[6]C[5,6]C[6,6]H)	107.5175	0.018	2	107.5175	0.000	2	107.5175	0.000	2	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]O[5]O)(H)2	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]O[5]O)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){3|C<3>,3|H<1>,3|O<2>}	H(C[6]C[5,6]C[6,6]H)	109.5718	0.051	4	109.5718	0.003	4	109.5718	0.003	4	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[5]H)(H)2	C[6,6](C[5,6]C[5,5,6]C[5]C)(C[6,6]C[5,6]2H)(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[5]H)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,5,6]C[5]C)(C[6,6]C[5,6]2H)(C[6]C[5,6]HH)(H){2|C<3>,3|C<4>,3|O<2>,5|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.6290	0.038	2	109.6290	0.001	2	109.2046	0.151	5	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]O[5,6]C[5]C)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]O[5,6]C[5]C)(H)2{3|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	H(C[6]C[5,6]C[6,6]H)	108.9217	0.033	3	108.9217	0.001	3	109.2046	0.151	5	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]2)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]2)(H)2{2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6,6]H)	108.8205	0.302	4	108.8205	0.091	4	109.0512	0.254	10	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]2)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]2)(H)2{1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6,6]H)	108.7965	0.036	2	108.7965	0.001	2	109.0512	0.254	10	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]2)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]2)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6,6]H)	108.8770	0.024	2	108.8770	0.001	2	109.0512	0.254	10	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]S[5]2)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[5,6]HS)(H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]S[5]2)(H)2{1|C<3>,1|S<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[5,6]HS)(H){1|O<2>,2|H<1>,3|S<2>,4|C<4>}	H(C[6]C[5,6]C[6,6]H)	109.9415	0.155	2	109.9415	0.024	2	109.0512	0.254	10	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[4x6]C[6]H)2(H)2	C[6,6](C[4x6]C[5x6]O[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[4x6]C[6]H)2(H)2{3|H<1>,3|O<2>,4|C<4>}	C[6,6](C[4x6]C[5x6]O[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6]2H)	109.2035	1.231	2	109.2035	1.516	2	109.2035	1.516	2	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[3,6]C)(C[6,6]C[5,6,6]C[6]H)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6,6]HH)2(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5,6,6]C[3,6]C)(C[6,6]C[5,6,6]C[6]H)(H)2{1|O<2>,2|N<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6,6]HH)2(H){2|C<3>,7|C<4>}	H(C[6]C[6,6]2H)	109.5240	0.000	1	109.5240	0.000	1	109.4518	0.002	5	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]2)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6,6]HH)2(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]2)(H)2{1|O<2>,2|N<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6,6]HH)2(H){2|C<3>,7|C<4>}	H(C[6]C[6,6]2H)	109.4275	0.013	2	109.4275	0.000	2	109.4518	0.002	5	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]2)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]O)(C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]2)(H)2{2|N<3>,2|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]O)(C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H){2|C<3>,7|C<4>}	H(C[6]C[6,6]2H)	109.4400	0.021	2	109.4400	0.000	2	109.4518	0.002	5	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6,6]HH)(H){4|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]2H)	108.8293	0.231	3	108.8293	0.053	3	109.0607	0.307	7	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[6,6]C[6]O)2(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]2H)(H)2{1|H<1>,1|O<1>,2|O<2>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]O)2(C[6]C[6,6]HH)(H){3|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6]2H)	108.6320	0.007	2	108.6320	0.000	2	109.0607	0.307	7	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2{1|H<1>,2|O<2>,8|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(H){5|C<4>,6|H<1>}	H(C[6]C[6,6]2H)	109.8365	0.026	2	109.8365	0.001	2	109.0607	0.307	7	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2{4|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]2H)	108.9850	0.031	2	108.9850	0.001	2	109.2952	0.514	71	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5a,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5,6,6]C[5a,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,1|N<4>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6,6]HH)(C[6]N[5,6]HH)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6,6]2H)	109.1555	0.067	2	109.1555	0.005	2	109.2952	0.514	71	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,2|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]2H)	108.9905	2.037	2	108.9905	4.150	2	109.2952	0.514	71	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|N<3>,2|O<2>,5|H<1>}	H(C[6]C[6,6]2H)	109.6060	0.049	2	109.5190	0.011	4	109.2952	0.514	71	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]2H)	109.4320	0.038	2	109.5190	0.011	4	109.2952	0.514	71	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,6|H<1>}	H(C[6]C[6,6]2H)	109.0847	0.213	4	109.3475	0.193	6	109.2952	0.514	71	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|N<4>,1|O<2>,6|H<1>}	H(C[6]C[6,6]2H)	109.8730	0.024	2	109.3475	0.193	6	109.2952	0.514	71	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	H(C[6]C[6,6]2H)	109.5580	0.024	2	109.5466	0.003	5	109.2952	0.514	71	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[6,6]2H)	109.5790	0.017	2	109.5466	0.003	5	109.2952	0.514	71	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[6,6]2H)	109.4590	0.000	1	109.5466	0.003	5	109.2952	0.514	71	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,2|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]2H)	108.3895	0.030	2	108.3895	0.001	2	109.2952	0.514	71	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|O<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H){3|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]2H)	108.9425	0.070	2	108.9425	0.005	2	109.2952	0.514	71	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[6,6]2H)	108.8095	0.056	2	108.8095	0.003	2	109.2952	0.514	71	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(H)2{1|N<2>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|S<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]2H)	109.1300	0.024	2	109.1300	0.001	2	109.2952	0.514	71	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]O[6]CH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2{1|H<1>,2|O<2>,8|C<4>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]O[6]CH)(H){3|C<4>,3|H<1>}	H(C[6]C[6,6]2H)	109.8455	0.053	2	109.8455	0.003	2	109.2952	0.514	71	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2O)(H)2	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2O)(H)2{1|C<3>,1|H<1>,2|O<2>,6|C<4>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]2H)	109.6143	0.025	3	109.6143	0.001	3	109.2952	0.514	71	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]2H)	110.1045	0.005	2	110.1045	0.000	2	109.2952	0.514	71	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(H)2{2|H<1>,7|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,7|H<1>}	H(C[6]C[6,6]2H)	110.2375	0.033	2	110.2375	0.001	2	109.2952	0.514	71	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HS)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(H)2{1|S<2>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HS)(H){2|C<4>,2|O<2>,6|H<1>}	H(C[6]C[6,6]2H)	109.6800	0.030	2	109.6800	0.001	2	109.2952	0.514	71	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O[6])(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O[6])(H)2{1|C<3>,1|N<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]2H)	108.8455	0.005	2	108.8455	0.000	2	109.2952	0.514	71	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]3)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]3)(H)2{1|C<4>,1|O<2>,2|C<3>,2|N<3>,2|O<1>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6]2H)	108.6210	0.000	1	108.6128	0.004	4	109.2952	0.514	71	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]3)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]3)(H)2{1|C<4>,1|O<2>,2|C<3>,2|N<3>,2|O<1>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H){3|C<4>,4|C<3>}	H(C[6]C[6,6]2H)	108.6100	0.075	3	108.6128	0.004	4	109.2952	0.514	71	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]2)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]2)(H)2{4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]2H)	108.8195	0.008	2	108.8195	0.000	2	109.2952	0.514	71	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)2(H)2	C[6,6](C[6,6]C[3x6]HH)(C[6]C[3,5,6]HH)(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)2(H)2{3|C<4>,8|H<1>}	C[6,6](C[6,6]C[3x6]HH)(C[6]C[3,5,6]HH)(C[6]C[6,6]HH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]2H)	108.7985	0.088	2	108.7985	0.008	2	109.2952	0.514	71	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)2(H)2	C[6,6](C[6,6]C[3x6]HH)(C[6]C[3,6]HH)(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)2(H)2{3|C<4>,8|H<1>}	C[6,6](C[6,6]C[3x6]HH)(C[6]C[3,6]HH)(C[6]C[6,6]HH)(H){3|H<1>,4|C<4>}	H(C[6]C[6,6]2H)	108.7590	0.008	2	108.7590	0.000	2	109.2952	0.514	71	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)2(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)2(H)2{1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6,6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]2H)	110.9695	3.279	2	110.9695	10.751	2	109.2952	0.514	71	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)2(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)2(H)2{1|C<4>,1|H<1>,1|N<4>,2|O<2>,5|C<3>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HH)(C[6]C[6]HN)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	H(C[6]C[6,6]2H)	108.8695	0.018	6	108.8695	0.000	6	109.2952	0.514	71	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)2(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)2(H)2{1|N<4>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|B<4>,3|C<4>,6|H<1>}	H(C[6]C[6,6]2H)	110.0083	0.017	3	109.6701	0.101	7	109.2952	0.514	71	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)2(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)2(H)2{1|N<4>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]2H)	109.4165	0.039	4	109.6701	0.101	7	109.2952	0.514	71	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[5,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]N[5,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,2|H<1>,6|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,1|N<4>,1|O<2>,6|H<1>}	H(C[6]C[6,6]2H)	109.2350	0.323	4	109.2350	0.104	4	109.2952	0.514	71	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(H)2	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(H)2{1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	H(C[6]C[6,6]2H)	109.4275	0.012	2	109.4275	0.000	2	109.4275	0.000	2	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:Br-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(Br)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]BrH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]Br)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(Br)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]BrH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]Br)	109.1900	0.000	1	109.1900	0.000	1	109.1900	0.000	1	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:Cl-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6,6]HH)(Cl)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(Cl)	H(C[6]C[6,6]C[6]Cl)	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6,6]HH)(Cl)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(Cl){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]Cl)	107.2110	0.000	1	107.2110	0.000	1	107.2110	0.000	1	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(Cl)(H)	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(C[6]C[6]ClH)(H)	H(C[6]C[6,6]C[6]Cl)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(Cl)(H){1|N<3>,2|C<3>,5|H<1>}	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(C[6]C[6]ClH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]Cl)	107.6077	0.289	3	107.6077	0.083	3	107.6606	0.469	7	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(Cl)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]Cl)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(Cl)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]Cl)	107.7002	0.937	4	107.7002	0.878	4	107.6606	0.469	7	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:F-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(F)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]FH)(H)	H(C[6]C[6,6]C[6]F)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(F)(H){2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]FH)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]F)	108.3280	0.000	1	108.3280	0.000	1	108.3280	0.000	1	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[3,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[3,6,6]C[6,6]B[3]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[3,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|B<4>,1|B<5>,2|C<4>,4|H<1>}	C[6,6](B[3,6,6]C[6,6]B[3]2)(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.4541	0.329	8	108.4541	0.108	8	108.4541	0.108	8	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[3x6]C[6,6]C[6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](B[3x6]C[6,6]C[6]2)(C[6]C[6]HH)2(H){2|C<4>,2|S<3>,9|H<1>}	H(C[6]C[6,6]C[6]H)	108.4567	0.054	4	108.4567	0.003	4	108.4531	0.213	121	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[3x6]C[6,6]C[6]S[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|S<3>,3|C<4>,4|H<1>}	C[6,6](B[3x6]C[6,6]C[6]S[6])(C[6]C[6]HH)2(H){1|S<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.2661	0.324	7	108.2661	0.105	7	108.4531	0.213	121	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[3x6]C[6,6]H[6]N[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|H<2>,1|N<3>,2|C<4>,4|H<1>}	C[6,6](B[3x6]C[6,6]H[6]N[6])(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4539	0.101	14	108.4539	0.010	14	108.4531	0.213	121	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[3x6]C[6,6]N[6,6]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[6,6](B[3x6]C[6,6]N[6,6]C[6])(C[6]C[6]HH)2(H){3|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.4380	0.293	42	108.4380	0.086	42	108.4531	0.213	121	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[3x6]C[6,6]N[6,6]O[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](B[3x6]C[6,6]N[6,6]O[6])(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4750	0.307	8	108.4750	0.094	8	108.4531	0.213	121	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H){1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4548	0.224	12	108.5308	0.602	34	108.4531	0.213	121	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4786	0.155	14	108.5308	0.602	34	108.4531	0.213	121	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7361	1.628	8	108.5308	0.602	34	108.4531	0.213	121	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[3x6]C[6,6]S[6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|S<3>,4|H<1>}	C[6,6](B[3x6]C[6,6]S[6]2)(C[6]C[6]HH)2(H){5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.4900	0.024	4	108.4900	0.001	4	108.4531	0.213	121	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[3x6]N[6,6a]C[6,6]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[6,6](B[3x6]N[6,6a]C[6,6]C[6])(C[6]C[6]HH)2(H){3|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.3222	0.136	8	108.3222	0.019	8	108.4531	0.213	121	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[4,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[4,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[4,6,6]C[6,6]N[4]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[4,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[6,6](B[4,6,6]C[6,6]N[4]2)(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4920	0.156	6	108.4920	0.024	6	108.4920	0.024	6	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[4a,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[4a,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[4a,6,6]C[6,6]C[4a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[4a,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](B[4a,6,6]C[6,6]C[4a]2)(C[6]C[6]HH)2(H){1|B<4>,2|C<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4739	0.066	8	108.4739	0.004	8	108.4739	0.004	8	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[5,6,6]C[6,6]C[5]N[5])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,4|H<1>}	C[6,6](B[5,6,6]C[6,6]C[5]N[5])(C[6]C[6]HH)2(H){6|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.6596	0.858	8	109.6596	0.736	8	108.6362	0.298	58	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[5,6,6]C[6,6]C[5]O[5])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](B[5,6,6]C[6,6]C[5]O[5])(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4650	0.138	6	108.4650	0.019	6	108.6362	0.298	58	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6,6](B[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)2(H){1|Si<4>,2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4511	0.161	8	108.4735	0.047	44	108.6362	0.298	58	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6,6](B[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)2(H){2|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4724	0.288	13	108.4735	0.047	44	108.6362	0.298	58	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6,6](B[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)2(H){3|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.5012	0.195	16	108.4735	0.047	44	108.6362	0.298	58	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[6,6](B[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.4377	0.203	7	108.4735	0.047	44	108.6362	0.298	58	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[5a,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[5a,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[5a,6,6]C[6,6]C[5a]N[5a])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[5a,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6,6](B[5a,6,6]C[6,6]C[5a]N[5a])(C[6]C[6]HH)2(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4174	0.159	8	108.4174	0.025	8	108.4101	0.021	47	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[5a,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[5a,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[5a,6,6]N[5a,6a]2C[6,6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[5a,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[6,6](B[5a,6,6]N[5a,6a]2C[6,6])(C[6]C[6]HH)2(H){2|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4087	0.143	39	108.4087	0.020	39	108.4101	0.021	47	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6,6a]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6,6a]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6,6a]N[6a,6a]C[6,6]C[6a])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6,6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6,6](B[6,6,6a]N[6a,6a]C[6,6]C[6a])(C[6]C[6]HH)2(H){2|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4000	0.149	8	108.4000	0.022	8	108.4000	0.022	8	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,3|C<4>,4|H<1>}	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4380	0.085	21	108.4571	0.042	131	108.4916	0.206	466	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,4|H<1>}	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4608	0.220	110	108.4571	0.042	131	108.4916	0.206	466	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]CO)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6,6](B[6,6]C[6,6]CO)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.5155	0.091	8	108.4753	0.009	22	108.4916	0.206	466	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]CO)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<3>,3|C<4>,4|H<1>}	C[6,6](B[6,6]C[6,6]CO)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4524	0.091	14	108.4753	0.009	22	108.4916	0.206	466	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]CS)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|S<3>,3|C<4>,4|H<1>}	C[6,6](B[6,6]C[6,6]CS)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4193	0.088	10	108.4193	0.008	10	108.4916	0.206	466	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]C[5]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](B[6,6]C[6,6]C[5]2)(C[6]C[6]HH)2(H){2|C<4>,4|N<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.1559	0.993	8	108.1559	0.986	8	108.4916	0.206	466	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4464	0.062	7	108.7354	0.093	83	108.4916	0.206	466	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7620	0.305	76	108.7354	0.093	83	108.4916	0.206	466	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]C[5]I)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|I<1>,2|C<4>,4|H<1>}	C[6,6](B[6,6]C[6,6]C[5]I)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4481	1.521	7	108.4481	2.314	7	108.4916	0.206	466	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6,6](B[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.3845	0.074	8	108.3845	0.006	8	108.4916	0.206	466	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]C[6a]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,2|C<4>,4|H<1>}	C[6,6](B[6,6]C[6,6]C[6a]C)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.3284	0.268	8	108.3284	0.072	8	108.4916	0.206	466	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,6|H<1>}	C[6,6](B[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4810	0.043	7	108.4810	0.002	7	108.4916	0.206	466	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]HP)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|P<4>,2|C<4>,5|H<1>}	C[6,6](B[6,6]C[6,6]HP)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.5171	0.127	7	108.5171	0.016	7	108.4916	0.206	466	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,3|H<1>}	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H){2|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4430	0.048	2	108.4063	0.039	65	108.4916	0.206	466	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H){1|H<2>,2|C<3>,2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.3457	0.147	4	108.4063	0.039	65	108.4916	0.206	466	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,2|N<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.3768	0.225	35	108.4063	0.039	65	108.4916	0.206	466	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H){2|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4565	0.163	24	108.4063	0.039	65	108.4916	0.206	466	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]N[5]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	C[6,6](B[6,6]C[6,6]N[5]H)(C[6]C[6]HH)2(H){1|Fe<10>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4814	0.205	13	108.4814	0.042	13	108.4916	0.206	466	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]N[5]O)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<3>,2|C<4>,4|H<1>}	C[6,6](B[6,6]C[6,6]N[5]O)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4271	0.138	7	108.4271	0.019	7	108.4916	0.206	466	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]N[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[6,6](B[6,6]C[6,6]N[6]C)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.3744	0.187	21	108.3744	0.035	21	108.4916	0.206	466	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]N[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6,6](B[6,6]C[6,6]N[6]H)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4503	0.117	7	108.4503	0.014	7	108.4916	0.206	466	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]OO)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[6,6](B[6,6]C[6,6]OO)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4954	1.018	49	108.4954	1.037	49	108.4916	0.206	466	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]RuC)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ru<7>,3|C<4>,4|H<1>}	C[6,6](B[6,6]C[6,6]RuC)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4225	0.121	13	108.4225	0.015	13	108.4916	0.206	466	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.2475	0.019	2	109.2475	0.000	2	109.2475	0.000	2	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[3x6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3x6]C[4x6]C[6,6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[3x6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3x6]C[4x6]C[6,6]C)(C[6]C[6]HH)(H){2|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3770	0.007	2	109.3770	0.000	2	109.3770	0.000	2	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[4x6]HH)(H)2	C[6,6](C[3,6,6]C[3,3x6]C[3]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[4x6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6,6](C[3,6,6]C[3,3x6]C[3]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|Br<1>,1|O<1>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.8480	0.037	2	108.8480	0.001	2	109.1411	0.468	44	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){1|N<2>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4820	0.030	2	109.3198	0.213	35	109.1411	0.468	44	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){6|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.4730	0.027	2	109.3198	0.213	35	109.1411	0.468	44	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	107.6030	0.011	2	109.3198	0.213	35	109.1411	0.468	44	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){1|O<2>,6|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.3405	0.240	6	109.3198	0.213	35	109.1411	0.468	44	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.5545	0.025	2	109.3198	0.213	35	109.1411	0.468	44	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){6|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.4250	0.173	21	109.3198	0.213	35	109.1411	0.468	44	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	107.3740	0.583	3	107.7990	0.509	5	109.1411	0.468	44	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.4365	0.008	2	107.7990	0.509	5	109.1411	0.468	44	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3,6,6]C[3,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[3,6,6]C[3,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){6|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.6620	0.066	2	109.6620	0.004	2	109.1411	0.468	44	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[3,6,6]C[3,5,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6,6](C[3,6,6]C[3,5,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.5485	0.047	2	109.5485	0.002	2	109.3019	0.717	9	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	107.8360	0.011	2	108.8750	1.440	4	109.3019	0.717	9	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,3|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	109.9140	0.024	2	108.8750	1.440	4	109.3019	0.717	9	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5955	0.023	2	109.5955	0.001	2	109.3019	0.717	9	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.9290	0.000	1	109.9290	0.000	1	109.3019	0.717	9	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.9054	0.087	7	109.6038	0.271	30	109.5366	0.323	32	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.1603	0.876	8	109.6038	0.271	30	109.5366	0.323	32	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.6995	0.076	15	109.6038	0.271	30	109.5366	0.323	32	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.5295	0.059	2	108.5295	0.003	2	109.5366	0.323	32	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6]C[3x6]H)(C[6]C[6]CH)(H)2	C[6,6](C[3,6]C[3,6]C[3]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6]C[3x6]H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[3,6]C[3,6]C[3]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){2|Br<1>,1|N<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.3355	0.172	2	108.3355	0.030	2	108.3355	0.030	2	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[5,6,6]HH)(H)2	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.6810	0.041	3	109.6810	0.002	3	109.3477	0.139	21	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6,6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9172	0.140	4	108.9172	0.020	4	109.3477	0.139	21	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[3,6]C[3,5,6]O[3]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3,6]C[3,5,6]O[3]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.3675	0.035	2	109.3675	0.001	2	109.3477	0.139	21	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5151	0.217	8	109.5151	0.047	8	109.3477	0.139	21	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]CH)(H)2	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0980	0.008	2	109.0980	0.000	2	109.3477	0.139	21	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2690	0.977	2	109.2690	0.955	2	109.3477	0.139	21	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3247	0.030	3	109.4854	0.054	5	109.3869	0.049	46	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|O<2>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.8240	0.000	1	109.4854	0.054	5	109.3869	0.049	46	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){3|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.6290	0.000	1	109.4854	0.054	5	109.3869	0.049	46	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){10|H<1>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9925	0.022	2	109.1628	0.018	6	109.3869	0.049	46	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2480	0.017	4	109.1628	0.018	6	109.3869	0.049	46	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[3x6]O[6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]O[6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){4|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.0330	0.019	4	109.0330	0.000	4	109.3869	0.049	46	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	109.3705	0.030	2	109.3705	0.001	2	109.3869	0.049	46	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.6650	0.000	1	109.4844	0.031	25	109.3869	0.049	46	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|N<4>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2480	0.000	1	109.4844	0.031	25	109.3869	0.049	46	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|N<4>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5598	0.097	4	109.4844	0.031	25	109.3869	0.049	46	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|N<4>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1360	0.025	2	109.4844	0.031	25	109.3869	0.049	46	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|N<4>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.6695	0.022	2	109.4844	0.031	25	109.3869	0.049	46	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4888	0.080	11	109.4844	0.031	25	109.3869	0.049	46	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3570	0.000	1	109.4844	0.031	25	109.3869	0.049	46	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1770	0.000	1	109.4844	0.031	25	109.3869	0.049	46	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{2|N<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.7185	0.011	2	109.4844	0.031	25	109.3869	0.049	46	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]N[3x6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|N<3>,4|H<1>}	C[6,6](C[3x6]N[3x6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2350	0.035	2	109.3525	0.019	4	109.3869	0.049	46	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]N[3x6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|N<3>,4|H<1>}	C[6,6](C[3x6]N[3x6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){4|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.4700	0.016	2	109.3525	0.019	4	109.3869	0.049	46	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[3x6]HH)(H)2	C[6,6](C[3x6]O[6,6]C[6]O[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[3x6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[3x6]O[6,6]C[6]O[6])(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3535	0.063	2	109.3535	0.004	2	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]CH)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)2(H){1|C<3>,2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.3705	0.947	2	108.8283	0.309	6	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]CH)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]CH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)2(H){1|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0572	0.083	4	108.8283	0.309	6	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1945	0.173	2	109.1945	0.030	2	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CN)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0385	1.702	2	109.0588	1.034	4	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CN)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{1|N<2>,2|H<1>,5|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CN)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0790	0.453	2	109.0588	1.034	4	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CO)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CO)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3097	0.095	3	109.3097	0.009	3	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9007	0.139	6	108.9007	0.019	6	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]N[5a,6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,4|C<4>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]N[5a,6]CC)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.7630	0.000	1	108.7630	0.000	1	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	110.0910	0.030	2	109.9840	0.016	4	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6]HH)2(H){4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.8770	0.027	2	109.9840	0.016	4	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HO)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0675	0.009	2	109.0675	0.000	2	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CC)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)2(H){1|C<3>,2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.3535	1.713	2	109.3535	2.935	2	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)2(H){1|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0400	0.126	4	109.0400	0.016	4	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1180	0.000	1	109.1180	0.000	1	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.6093	0.433	3	108.6093	0.187	3	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.4830	3.305	6	109.2590	6.153	10	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9230	0.058	4	109.2590	6.153	10	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.6830	0.000	1	108.6830	0.000	1	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,1|N<4>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	107.7700	0.004	2	107.7700	0.000	2	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.7950	0.014	2	108.7950	0.000	2	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[3x6]C[4x6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[4x6]C[6]H)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9483	0.041	3	108.9483	0.002	3	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[3x6]C[4x6]C[6]O)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[4x6]C[6]O)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9200	0.016	2	108.9200	0.000	2	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[3x6]C[4x6]O[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[4x6]O[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0840	0.000	1	109.0840	0.000	1	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|N<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.6490	0.052	2	108.6490	0.003	2	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.7002	0.201	4	108.7002	0.041	4	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){2|N<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5730	0.830	4	109.5730	0.689	4	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.2565	0.005	2	109.2565	0.000	2	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0385	2.268	2	109.0385	5.142	2	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,5|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	110.7630	2.014	2	109.5803	1.405	8	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,5|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.3705	0.182	2	109.5803	1.405	8	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5938	0.090	4	109.5803	1.405	8	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	107.8365	2.432	2	107.8365	5.913	2	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]N[5a,6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]N[5a,6]CC)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.6617	0.282	3	109.6617	0.079	3	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5370	0.000	1	109.5370	0.000	1	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]2Cr)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|Cr<9>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2Cr)(C[6]C[6]HH)2(H){4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.6694	0.091	7	109.7349	0.018	15	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]2Cr)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|Cr<9>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2Cr)(C[6]C[6]HH)2(H){4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.7921	0.144	8	109.7349	0.018	15	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){4|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.1295	0.037	2	109.1295	0.001	2	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<2>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.6475	0.029	2	109.6304	0.267	8	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	110.3315	0.589	2	109.6304	0.267	8	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<2>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3395	0.018	2	109.6304	0.267	8	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2030	0.014	2	109.6304	0.267	8	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CN)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	111.8980	0.194	2	111.2293	1.360	3	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CN)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.8920	0.000	1	111.2293	1.360	3	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3895	0.005	2	109.3895	0.000	2	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	111.2430	1.096	2	109.7598	1.878	6	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2995	0.851	2	109.7598	1.878	6	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7370	0.741	2	109.7598	1.878	6	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.5914	0.175	7	108.8941	0.104	15	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	109.2020	0.065	4	108.8941	0.104	15	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	109.1157	0.109	4	108.8941	0.104	15	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5671	0.087	27	109.4881	0.112	50	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5762	0.075	5	109.4881	0.112	50	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<2>,2|C<4>,3|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2845	0.039	2	109.4881	0.112	50	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,4|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3525	0.560	16	109.4881	0.112	50	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2220	0.013	2	109.2950	0.016	3	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6]HH)2(H){4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4410	0.000	1	109.2950	0.016	3	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.2430	0.030	2	109.2430	0.001	2	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.9120	0.000	1	109.9120	0.000	1	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8860	0.024	2	108.8860	0.001	2	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4145	0.018	2	109.4145	0.000	2	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9456	0.078	5	109.2053	0.180	13	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.9020	0.004	2	109.2053	0.180	13	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9725	0.032	2	109.2053	0.180	13	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(H){4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2980	0.478	4	109.2053	0.180	13	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.5830	0.011	2	109.4201	0.035	37	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|N<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8915	0.047	2	109.4201	0.035	37	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|N<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5013	0.297	3	109.4201	0.035	37	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|N<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){3|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.4455	0.056	2	109.4201	0.035	37	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.4270	0.123	23	109.4201	0.035	37	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3240	0.025	2	109.4201	0.035	37	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.4530	0.000	1	109.4201	0.035	37	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.6395	0.006	2	109.4201	0.035	37	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2372	0.210	30	109.2372	0.044	30	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]N[6,6]C[6]O[6])(C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[3x6]N[6,6]C[6]O[6])(C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(H){3|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0018	0.073	4	109.0018	0.005	4	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]O[6,6]C[6]O[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[3x6]O[6,6]C[6]O[6])(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4555	0.066	2	109.4555	0.004	2	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4550	0.079	8	109.4550	0.006	8	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|H<1>,4|O<2>}	H(C[6]C[6,6]C[6]H)	109.5445	0.016	2	109.5445	0.000	2	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]HH)(H)2	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.7505	0.084	4	109.7505	0.007	4	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]HH)(H)2	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,3|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.7915	0.513	2	108.7915	0.263	2	109.3208	0.525	302	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4,3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[4,3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[4,3x6]C[4,6,6]N[6,6]C[4])(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4,3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[4,3x6]C[4,6,6]N[6,6]C[4])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	110.3875	0.025	2	110.3875	0.001	2	110.3875	0.001	2	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6,6](C[4,6,6]C[4,6,6]C[4,6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6,6]HO)(H)2{2|C<3>,5|C<4>}	C[6,6](C[4,6,6]C[4,6,6]C[4,6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	110.0680	0.083	2	110.0680	0.007	2	109.2284	0.274	8	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[4,6,6]C[4,6]N[4,5]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,4|H<1>}	C[6,6](C[4,6,6]C[4,6]N[4,5]C[6])(C[6]C[6]HH)2(H){1|B<4>,1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0435	0.023	2	109.0435	0.001	2	109.2284	0.274	8	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[4,6,6]C[4,6]N[4,6]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,4|H<1>}	C[6,6](C[4,6,6]C[4,6]N[4,6]C[6])(C[6]C[6]HH)2(H){1|B<4>,1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9010	0.039	4	108.9010	0.002	4	109.2284	0.274	8	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[4x6]C[5,6]H)(C[6]C[3x6]HH)(H)2	C[6,6](C[4x6]C[4x6]O[6,6]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4x6]C[5,6]H)(C[6]C[3x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[4x6]C[4x6]O[6,6]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,8|C<4>}	H(C[6]C[6,6]C[6]H)	109.0980	0.129	4	109.0980	0.017	4	109.0980	0.017	4	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.3100	0.007	2	108.3100	0.000	2	107.4425	8.606	4	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[4x6]C[5x6]O[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[4x6]C[5x6]O[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	106.5750	4.776	2	106.5750	22.808	2	107.4425	8.606	4	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]O[6]CH)(H)2	C[6,6](C[5,3x6]C[5,6,6]2C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[5,3x6]C[5,6,6]2C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|O<2>,4|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.7760	0.020	2	108.7760	0.000	2	108.7760	0.000	2	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[5,5,6,6]HO)(H)2	C[6,6](C[5,3x6]C[5,5,4x6]C[5,6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[5,5,6,6]HO)(H)2{3|H<1>,5|C<4>}	C[6,6](C[5,3x6]C[5,5,4x6]C[5,6]H)(C[6]C[6]HH)2(H){1|N<4>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	107.9055	0.015	2	107.9055	0.000	2	109.1868	0.283	15	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[5,3x6]C[5,5,4x6]C[5,6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,5,4x6]C[5,6]H)(C[6]C[6]HH)2(H){1|N<4>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4290	0.017	2	109.4290	0.000	2	109.1868	0.283	15	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3757	0.131	11	109.3757	0.017	11	109.1868	0.283	15	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[5,6]H)(C[6]C[5,6,6]HH)(H)2	C[6,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[5,6]H)(C[6]C[5,6,6]HH)(H)2{2|H<1>,6|C<4>}	C[6,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,6|H<1>,8|C<4>}	H(C[6]C[6,6]C[6]H)	108.0830	0.539	2	108.0830	0.290	2	108.0830	0.290	2	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]O[5,6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]O[5,6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.3000	0.017	2	109.3000	0.000	2	109.2518	0.712	14	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.6460	0.481	4	109.2437	0.841	12	109.2518	0.712	14	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.4680	0.023	2	109.2437	0.841	12	109.2518	0.712	14	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,3|C<4>,3|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,6|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.8440	1.295	4	109.2437	0.841	12	109.2518	0.712	14	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]N[5,6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0145	0.665	2	109.2437	0.841	12	109.2518	0.712	14	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[3,6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[5,6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[5,6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HH)(H){1|O<2>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.6565	0.087	4	108.6565	0.008	4	108.6565	0.008	4	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[4x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[4x6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H){1|C<3>,2|O<1>,2|O<2>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.3665	0.043	2	108.9278	1.282	4	108.9278	1.282	4	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[4x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[4x6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H){2|C<3>,2|O<2>,3|C<4>,3|O<1>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4890	1.608	2	108.9278	1.282	4	108.9278	1.282	4	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<3>,2|O<1>,2|O<2>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.8930	0.044	2	108.8930	0.002	2	108.6914	0.332	8	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|O<1>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	107.7900	0.013	2	107.7900	0.000	2	108.6914	0.332	8	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,4|O<2>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.0413	0.203	4	109.0413	0.041	4	108.6914	0.332	8	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,3|O<2>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.9660	0.000	1	109.9660	0.000	1	108.8930	1.437	3	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]N[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]N[6]HH)(H)2{2|O<2>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H){1|C<3>,2|N<3>,3|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	108.3565	1.071	2	108.3565	1.148	2	108.8930	1.437	3	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[3x5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[3x5,6]HH)(H)2{1|O<2>,7|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,6|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.2267	0.186	8	108.2267	0.034	8	108.8039	0.230	125	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[3,5]C[5,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{8|C<4>}	C[6,6](C[5,6,6]C[3,5]C[5,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,5|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.2320	0.061	2	109.2320	0.004	2	108.8039	0.230	125	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	109.1690	0.030	4	109.1732	0.001	6	108.8039	0.230	125	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|S<2>,4|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	109.1815	0.013	2	109.1732	0.001	6	108.8039	0.230	125	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|O<1>,4|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	108.9620	0.065	2	109.1125	0.032	4	108.8039	0.230	125	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|O<1>,4|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	109.2630	0.027	2	109.1125	0.032	4	108.8039	0.230	125	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){10|H<1>,1|C<3>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.1065	0.036	2	108.6311	0.232	54	108.8039	0.230	125	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.0725	0.056	2	108.6311	0.232	54	108.8039	0.230	125	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.2726	0.029	5	108.6311	0.232	54	108.8039	0.230	125	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,7|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){10|H<1>,1|Br<1>,1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8240	0.000	1	108.6311	0.232	54	108.8039	0.230	125	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,7|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){10|H<1>,1|C<3>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1675	0.039	2	108.6311	0.232	54	108.8039	0.230	125	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,7|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){10|H<1>,1|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9562	0.211	4	108.6311	0.232	54	108.8039	0.230	125	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,7|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9356	0.117	20	108.6311	0.232	54	108.8039	0.230	125	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.4335	0.059	2	108.6311	0.232	54	108.8039	0.230	125	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.0255	0.057	2	108.6311	0.232	54	108.8039	0.230	125	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	108.2435	0.016	4	108.6311	0.232	54	108.8039	0.230	125	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){10|H<1>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.3225	0.019	2	108.6311	0.232	54	108.8039	0.230	125	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.1135	0.035	2	108.6311	0.232	54	108.8039	0.230	125	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.6502	1.005	6	108.6311	0.232	54	108.8039	0.230	125	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|O<1>,4|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	108.5135	0.012	2	108.8557	0.071	6	108.8039	0.230	125	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HH)(H){2|C<3>,2|O<1>,2|O<2>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.9945	0.026	2	108.8557	0.071	6	108.8039	0.230	125	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,3|O<1>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0590	0.007	2	108.8557	0.071	6	108.8039	0.230	125	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){10|H<1>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8485	0.016	2	108.8485	0.000	2	108.8039	0.230	125	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.9715	0.043	2	108.8593	0.025	4	108.8039	0.230	125	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|O<2>,7|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	108.7470	0.151	2	108.8593	0.025	4	108.8039	0.230	125	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HO)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HO)(H)2{8|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){10|H<1>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9455	0.006	2	108.9455	0.000	2	108.8039	0.230	125	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.3487	0.078	3	109.0237	0.089	22	108.8039	0.230	125	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.9724	0.288	19	109.0237	0.089	22	108.8039	0.230	125	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]2C[6])(C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	C[6,6](C[5,6,6]C[5,6]2C[6])(C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,3|O<2>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	110.1815	0.033	2	110.1815	0.001	2	108.8039	0.230	125	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.2235	0.019	2	109.2305	0.000	4	108.8039	0.230	125	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2375	0.029	2	109.2305	0.000	4	108.8039	0.230	125	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|O<2>,7|C<4>}	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H){3|O<2>,4|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.0550	0.033	2	109.0550	0.001	2	108.8039	0.230	125	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,5,6]C[5]N[6])(C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,5,6]C[5]N[6])(C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.4880	0.000	1	109.4880	0.000	1	108.8039	0.230	125	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HH)(H){12|H<1>,1|C<3>,2|C<4>,4|O<2>}	H(C[6]C[6,6]C[6]H)	109.0750	0.061	2	109.0750	0.004	2	108.8039	0.230	125	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.3125	0.067	2	108.3125	0.005	2	108.8039	0.230	125	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HO)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,2|O<2>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.1500	0.007	2	108.1500	0.000	2	108.8039	0.230	125	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|O<2>,2|C<3>,5|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.7340	0.020	2	108.8160	0.009	4	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|O<2>,2|C<3>,5|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.8980	0.017	2	108.8160	0.009	4	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)2(H){3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2780	0.016	2	109.2780	0.000	2	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2{1|O<2>,2|C<3>,5|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,3|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6985	0.019	2	108.6985	0.000	2	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.6322	0.100	6	109.6322	0.010	6	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]O[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]O[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.4450	0.023	2	108.4450	0.001	2	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.7763	0.030	3	108.7763	0.001	3	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8245	0.016	2	108.8245	0.000	2	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[6,6a]C[5,6]O[5])(C[6]C[6]HH)(C[6]O[6]CC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,3|O<2>,4|C<4>}	C[6,6](C[5,6,6]C[6,6a]C[5,6]O[5])(C[6]C[6]HH)(C[6]O[6]CC)(H){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.5610	0.079	4	108.5610	0.006	4	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2{2|H<1>,3|C<4>,3|O<2>}	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9627	0.047	4	108.9627	0.002	4	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HO)(H)2	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HO)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)2(H){2|O<2>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.5145	0.025	2	108.5145	0.001	2	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.8957	0.069	4	109.8957	0.005	4	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5622	0.091	6	109.5622	0.008	6	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2320	0.027	2	109.2320	0.001	2	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.7212	0.073	6	109.7212	0.005	6	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(C[6]N[6]CO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|C<3>}	C[6,6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(C[6]N[6]CO)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.6830	0.007	2	109.6830	0.000	2	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)2(H){2|O<2>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.0470	0.027	2	109.0470	0.001	2	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9010	0.035	2	108.9010	0.001	2	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.6675	0.016	2	109.6675	0.000	2	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	109.6975	0.008	2	109.6975	0.000	2	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.5940	0.707	4	109.5940	0.500	4	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.7530	0.000	1	109.7530	0.000	1	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){3|C<3>,3|H<1>,3|O<2>}	H(C[6]C[6,6]C[6]H)	108.8473	0.043	4	108.8473	0.002	4	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5662	0.070	4	109.5662	0.005	4	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1883	0.144	3	109.1883	0.021	3	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2343	0.057	4	109.2343	0.003	4	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.3600	0.027	2	108.7295	0.182	4	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0990	0.010	2	108.7295	0.182	4	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	108.6930	0.035	2	109.1117	0.058	14	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.1785	0.004	2	109.1117	0.058	14	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,2|O<1>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2035	0.047	2	109.1117	0.058	14	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H){1|C<3>,2|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3520	0.033	2	109.1117	0.058	14	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.8255	0.021	2	109.1117	0.058	14	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,2|O<1>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2730	0.011	2	109.1117	0.058	14	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	109.2565	0.043	2	109.1117	0.058	14	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.5120	0.006	2	109.1125	0.213	4	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.7130	0.037	2	109.1125	0.213	4	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4530	0.020	2	109.4530	0.000	2	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8240	0.025	2	108.8240	0.001	2	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]HH)(C[6]N[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.9530	0.065	2	109.9530	0.004	2	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]C[6]HH)2(H){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.5969	0.129	8	108.5969	0.017	8	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	110.3033	2.012	3	110.3033	4.050	3	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|N<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)2(H){4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	110.0385	0.022	2	109.8336	0.073	5	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)2(H){1|O<2>,3|C<3>,7|H<1>}	H(C[6]C[6,6]C[6]H)	110.0140	0.000	1	109.8336	0.073	5	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)2(H){4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.5385	0.005	2	109.8336	0.073	5	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]N[5,6]C[6]O[5])(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[5,6,6]N[5,6]C[6]O[5])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3745	0.022	2	109.3745	0.000	2	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)2(H){3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3115	0.006	2	109.3115	0.000	2	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>,4|O<2>}	H(C[6]C[6,6]C[6]H)	109.2965	0.030	2	110.5198	3.595	4	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	H(C[6]C[6,6]C[6]H)	111.7430	2.191	2	110.5198	3.595	4	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]N[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,2|N<3>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.5685	0.262	2	109.5685	0.069	2	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]P[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]2H)(C[6]B[6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]P[6]HH)(H)2{1|B<4>,1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]B[6]HH)(C[6]C[6]HH)(H){1|P<4>,2|H<1>,2|O<2>,4|C<3>}	H(C[6]C[6,6]C[6]H)	108.7425	0.030	2	108.7425	0.001	2	109.2692	0.420	135	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]CH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]CH)(H){1|C<3>,5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.7240	0.014	4	109.7240	0.000	4	108.9309	0.763	8	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.1377	0.319	4	108.1377	0.102	4	108.9309	0.763	8	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,5,6]HO)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,5,6]HO)(H)2{2|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.3442	0.300	9	109.3442	0.090	9	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.2520	0.000	1	109.2520	0.000	1	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[4x6]HH)(H)2	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[4x6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.0535	0.025	2	109.0535	0.001	2	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[4x6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[4x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.0898	0.064	4	109.0898	0.004	4	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[4x6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[4x6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.9450	0.000	1	108.9450	0.000	1	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1683	0.098	3	108.6581	1.097	15	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.7305	0.012	2	108.6581	1.097	15	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.4906	1.259	10	108.6581	1.097	15	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|O<2>,7|C<4>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(H){1|O<2>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5465	0.040	2	109.5465	0.002	2	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9550	0.000	1	108.9550	0.000	1	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|N<3>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.1705	0.011	2	109.1705	0.000	2	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.9025	0.008	2	108.9025	0.000	2	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{2|C<4>,2|H<1>,4|O<2>}	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.3690	0.028	3	108.3690	0.001	3	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HO)(H)2	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.5980	0.000	1	109.3554	0.019	5	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HO)(H)2	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HO)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2845	0.030	2	109.3554	0.019	5	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HO)(H)2	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HO)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.3050	0.017	2	109.3554	0.019	5	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]CH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.5473	0.042	3	108.6934	0.041	5	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]CH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.9125	0.012	2	108.6934	0.041	5	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]ClH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]ClH)(H)2{1|Cl<1>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,5|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.6515	0.033	2	109.0056	0.112	7	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]ClH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]ClH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.4505	0.021	2	109.0056	0.112	7	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]ClH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]ClH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,5|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.9450	0.087	3	109.0056	0.112	7	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]FH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]FH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|F<1>,1|O<2>,4|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.5075	0.042	2	109.5075	0.002	2	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.4590	0.067	6	109.4410	0.003	10	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.4140	0.025	4	109.4410	0.003	10	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,5]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,5]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.1135	0.023	2	109.1135	0.001	2	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4020	0.030	2	109.1598	0.039	12	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.1975	0.006	2	109.1598	0.039	12	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0899	0.198	8	109.1598	0.039	12	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.2293	0.139	19	109.1988	0.038	34	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.3503	0.071	8	109.1988	0.038	34	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|H<1>,8|C<4>}	H(C[6]C[6,6]C[6]H)	108.9429	0.190	7	109.1988	0.038	34	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|F<1>,1|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8886	0.474	13	108.9541	0.196	19	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|F<1>,1|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H){1|O<2>,3|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6820	0.327	2	108.9541	0.196	19	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|F<1>,1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.3028	0.111	4	108.9541	0.196	19	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.7050	0.011	2	109.1084	0.616	617	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1770	0.148	2	109.1084	0.616	617	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.2003	0.248	20	109.1084	0.616	617	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.7445	4.755	2	109.1084	0.616	617	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0197	1.092	26	109.1084	0.616	617	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2308	0.514	68	109.1084	0.616	617	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|N<2>,3|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3365	0.022	2	109.1084	0.616	617	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7142	0.983	11	109.1084	0.616	617	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2940	0.017	2	109.1084	0.616	617	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,2|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.6140	0.027	2	109.1084	0.616	617	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.4342	0.080	4	109.1084	0.616	617	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1692	0.275	30	109.1084	0.616	617	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2322	0.408	17	109.1084	0.616	617	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<4>,4|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2345	0.029	2	109.1084	0.616	617	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2485	0.092	11	109.1084	0.616	617	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.9346	0.109	10	109.1084	0.616	617	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|N<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0675	0.015	2	109.1084	0.616	617	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|N<3>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1400	0.000	1	109.1084	0.616	617	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.8745	0.355	6	109.1084	0.616	617	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2793	0.103	3	109.1084	0.616	617	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.9920	0.320	4	109.1084	0.616	617	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.3311	0.102	9	109.1084	0.616	617	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.1058	0.201	14	109.1084	0.616	617	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1442	0.062	4	109.1084	0.616	617	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	110.0265	0.006	2	109.1084	0.616	617	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4175	0.036	2	109.1084	0.616	617	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.6555	6.161	2	109.1084	0.616	617	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.5540	2.677	2	109.1084	0.616	617	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.2840	0.000	1	109.1084	0.616	617	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0931	0.593	95	109.1084	0.616	617	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3340	0.093	10	109.1084	0.616	617	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.2395	0.016	2	109.1084	0.616	617	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.4970	0.048	2	109.1084	0.616	617	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.0334	0.906	245	109.1084	0.616	617	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2765	0.022	2	109.2084	0.035	39	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1753	0.094	4	109.2084	0.035	39	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.2055	0.016	2	109.2084	0.035	39	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.1360	0.381	4	109.2084	0.035	39	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.1887	0.287	4	109.2084	0.035	39	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3595	0.005	2	109.2084	0.035	39	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.2116	0.165	21	109.2084	0.035	39	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|C<3>,4|C<4>}	C[6,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|N<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5510	0.000	1	109.5510	0.000	1	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HN)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HN)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|N<3>,5|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.8535	0.033	2	108.8535	0.001	2	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.9913	0.179	6	108.9590	0.057	34	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4625	0.030	2	108.9590	0.057	34	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|Cl<1>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.8710	0.077	3	108.9590	0.057	34	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|N<3>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.8745	0.012	2	108.9590	0.057	34	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.0195	0.021	2	108.9590	0.057	34	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.8513	0.111	9	108.9590	0.057	34	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.1630	0.052	2	108.9590	0.057	34	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.9181	0.348	8	108.9590	0.057	34	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(H)2{3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9930	0.027	2	108.9930	0.001	2	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){3|C<4>,3|O<2>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.6855	0.005	2	109.6855	0.000	2	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.5320	0.037	2	109.4879	0.005	7	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4563	0.109	3	109.4879	0.005	7	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|O<2>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.4910	0.004	2	109.4879	0.005	7	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5799	0.176	13	109.5681	0.025	18	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5602	0.120	4	109.5681	0.025	18	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.4460	0.000	1	109.5681	0.025	18	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H){1|C<2>,1|C<3>,1|N<2>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.7655	0.033	2	109.7655	0.001	2	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	114.7070	0.000	1	114.7070	0.000	1	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9945	0.026	2	109.3388	0.038	13	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3694	0.137	7	109.3388	0.038	13	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.5670	0.010	2	109.3388	0.038	13	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.3480	0.004	2	109.3388	0.038	13	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]O[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]O[6]2H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3805	2.027	2	109.3805	4.110	2	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6]S[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|S<2>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6]S[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.6020	0.030	2	109.6020	0.001	2	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6a]C[5,6]O)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[5,6]C[5,6a]C[5,6]O)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.4155	0.585	2	109.4155	0.342	2	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5]O[5]O[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[5,6]C[5]O[5]O[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.5633	0.039	4	109.5633	0.001	4	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	110.4315	1.694	2	110.4315	2.868	2	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HO)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HO)(H)2{1|C<3>,7|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3655	0.076	2	109.3655	0.006	2	109.1358	0.525	890	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5x6]C[6]H)(C[6]O[6]HH)(H)2	C[6,6](C[5x6]C[3x6]2C[6,6])(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5x6]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[5x6]C[3x6]2C[6,6])(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.3540	3.176	2	108.3540	10.089	2	108.3540	10.089	2	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[3x6]C[6,6]2O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[3x6]C[6,6]2O)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1088	0.100	4	109.1088	0.010	4	109.0550	0.013	6	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]O)(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){3|C<3>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9475	0.015	2	108.9475	0.000	2	109.0550	0.013	6	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[4,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[4,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[4,6]C[4,6]C[4]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[4,6]C[4,6]C[4]C)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5750	0.000	1	109.5750	0.000	1	109.5750	0.000	1	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|S<2>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2C)(C[6]C[6]HH)(H){2|C<3>,2|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2435	0.006	2	109.2435	0.000	2	109.2435	0.000	2	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5a,6]HH)(H)2	C[6,6](C[6,6]C[5a,6]C[6]C)(C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5a,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|S<2>,3|C<4>}	C[6,6](C[6,6]C[5a,6]C[6]C)(C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.7048	0.060	4	109.7048	0.004	4	109.4635	1.588	270	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5a,6]HH)(H)2	C[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5a,6]HH)(H)2{1|C<2>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4905	0.043	2	109.4905	0.002	2	109.4635	1.588	270	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2940	0.000	1	109.2940	0.000	1	109.4635	1.588	270	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]Br)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|Br<1>,1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]Br)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1515	0.018	2	108.8630	0.111	4	109.4635	1.588	270	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]Br)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|Br<1>,1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]Br)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.5745	0.013	2	108.8630	0.111	4	109.4635	1.588	270	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0850	0.149	12	109.0514	0.026	14	109.4635	1.588	270	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|Cl<1>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.8495	0.040	2	109.0514	0.026	14	109.4635	1.588	270	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	110.1990	0.007	2	110.1990	0.000	2	109.4635	1.588	270	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|O<2>,4|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.6280	0.047	2	109.6125	0.001	4	109.4635	1.588	270	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|O<2>,4|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5970	0.018	2	109.6125	0.001	4	109.4635	1.588	270	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.6935	0.036	4	109.6935	0.001	4	109.4635	1.588	270	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4448	1.562	159	109.4786	1.852	228	109.4635	1.588	270	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<4>,4|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3220	0.270	18	109.4786	1.852	228	109.4635	1.588	270	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.6392	0.794	51	109.4786	1.852	228	109.4635	1.588	270	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.7145	0.237	4	109.6787	0.037	6	109.4635	1.588	270	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.6070	0.018	2	109.6787	0.037	6	109.4635	1.588	270	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5a,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5a,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|S<2>,2|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0580	0.000	1	109.0580	0.000	1	109.4635	1.588	270	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[3,6,6]HH)(H)2	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.8605	0.045	2	109.8605	0.002	2	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[3,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[3,6]HH)(H)2{1|O<2>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.4375	0.043	2	109.4375	0.002	2	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[3x6]ClH)(H)2	C[6,6](C[6,6]C[4x6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[3x6]ClH)(H)2{8|C<4>}	C[6,6](C[6,6]C[4x6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|Cl<1>,1|O<2>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9210	0.027	2	108.9210	0.001	2	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,5,6]HH)(H)2	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8615	0.021	2	108.8615	0.000	2	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.9035	0.006	2	108.9035	0.000	2	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,5,6]HO)(H)2	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,5,6]HO)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0975	0.022	2	109.0975	0.000	2	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6,6]HH)(H)2{1|O<2>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.2510	0.138	3	109.2510	0.019	3	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6,6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6,6]HO)(H)2{1|O<2>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.6487	0.011	3	109.6487	0.000	3	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,7|C<4>}	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6435	0.044	4	109.1324	0.391	7	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,6|C<4>}	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5170	0.000	1	109.1324	0.391	7	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{3|C<3>,5|C<4>}	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.9180	0.061	2	109.1324	0.391	7	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[3,5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[3,5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.8400	0.035	2	108.8400	0.001	2	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3325	0.344	2	108.9431	0.094	10	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1935	0.005	2	108.9431	0.094	10	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,1|O<2>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.6465	0.026	2	108.9431	0.094	10	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.8010	0.031	2	108.9431	0.094	10	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.7420	0.004	2	108.9431	0.094	10	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0970	0.000	1	109.3157	0.160	7	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.7925	0.515	2	109.3157	0.160	7	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1320	0.138	4	109.3157	0.160	7	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8510	0.023	4	108.9444	0.020	8	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1630	0.006	2	108.9444	0.020	8	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.9125	0.052	2	108.9444	0.020	8	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]BrH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|Br<1>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]BrH)(C[6]C[6]HH)(H){1|Br<1>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2810	0.020	2	109.2810	0.000	2	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]O[6]C)(C[6,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]O[6]C)(C[6,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.8400	0.031	2	109.8400	0.001	2	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3350	0.086	2	108.9819	0.154	44	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0271	0.457	10	108.9819	0.154	44	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.6915	1.634	2	108.9819	0.154	44	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.9517	0.147	18	108.9819	0.154	44	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.2945	0.006	2	108.9819	0.154	44	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6124	0.048	5	108.9819	0.154	44	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1115	0.008	2	108.9819	0.154	44	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{3|C<3>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|O<1>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1990	0.000	1	108.9819	0.154	44	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{3|C<4>,4|C<3>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3375	0.021	2	108.9819	0.154	44	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.7380	0.013	2	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1090	0.047	2	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.9280	0.047	4	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.6143	0.095	10	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|S<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2008	0.256	10	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.7848	0.275	262	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.8883	0.120	15	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4690	1.273	2	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|Cl<1>,5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.8942	0.060	4	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|N<2>,5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.9240	0.000	1	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|N<3>,5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.8197	0.044	4	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7685	0.144	12	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.9310	0.080	4	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.9570	0.209	11	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.9050	0.695	16	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.6760	0.007	2	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|O<2>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3765	0.015	2	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){3|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.7740	0.000	1	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.8769	0.726	82	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3812	0.125	4	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7940	0.118	6	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.9625	0.088	4	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9082	0.073	6	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|S<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4780	0.004	2	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.5865	0.025	2	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.6566	0.334	75	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0880	0.168	28	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.7226	0.140	11	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9350	0.034	2	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,2|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.6527	0.085	4	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|O<1>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.3790	2.216	2	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.6667	0.250	6	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8885	0.019	2	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2410	0.000	1	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6955	0.016	2	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.0690	0.020	4	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0108	0.043	4	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.9709	0.143	78	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0470	0.051	2	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|Cl<1>,5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.8740	0.006	2	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|N<3>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.1110	0.016	2	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.7940	0.073	10	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0360	0.290	45	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7785	0.098	4	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.9529	0.078	10	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|O<2>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1873	0.209	4	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.7124	1.052	135	108.8397	0.293	903	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.7572	0.690	30	108.7500	0.345	42	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.7830	0.086	3	108.7500	0.345	42	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.5285	0.005	2	108.7500	0.345	42	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.5205	0.063	2	108.7500	0.345	42	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8860	0.000	1	108.7500	0.345	42	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.7850	0.044	2	108.7500	0.345	42	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.9395	0.021	2	108.7500	0.345	42	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]N)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]N)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1050	0.006	2	109.1050	0.000	2	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0475	0.161	2	109.0857	0.017	3	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1620	0.000	1	109.0857	0.017	3	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]N)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]N)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4758	0.259	6	109.4758	0.067	6	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4580	0.000	1	109.2550	0.031	3	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1535	0.018	2	109.2550	0.031	3	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.9560	0.006	2	109.9560	0.000	2	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HN)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HN)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|N<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.4015	0.019	4	108.4015	0.000	4	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5580	1.284	2	109.5580	1.649	2	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8403	0.239	41	108.8403	0.057	41	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7145	0.018	2	108.5910	1.110	251	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0810	0.135	3	108.5910	1.110	251	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4673	0.250	4	108.5910	1.110	251	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.6363	0.140	4	108.5910	1.110	251	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7610	0.048	2	108.5910	1.110	251	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9040	0.048	2	108.5910	1.110	251	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7437	4.939	3	108.5910	1.110	251	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.4490	0.323	4	108.5910	1.110	251	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.8579	0.593	46	108.5910	1.110	251	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|O<2>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.5107	1.071	181	108.5910	1.110	251	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5a]O[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5a]O[6]H)(H)2{2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|O<1>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.8255	0.021	2	109.8255	0.000	2	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.5210	0.153	8	108.8005	0.364	11	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{2|C<3>,6|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.9900	0.052	2	108.8005	0.364	11	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{8|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){3|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6570	0.000	1	108.8005	0.364	11	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[5a,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5a,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0173	0.047	4	109.0173	0.002	4	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.1857	0.177	8	109.1902	0.020	19	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.3155	0.005	2	109.1902	0.020	19	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.0635	0.009	2	109.1902	0.020	19	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.9950	0.000	1	109.1902	0.020	19	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.3125	0.032	2	109.1902	0.020	19	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.1825	0.009	2	109.1902	0.020	19	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.1925	0.022	2	109.1902	0.020	19	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.9015	0.093	4	109.9015	0.009	4	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2230	0.033	2	109.0600	0.098	78	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.3360	0.000	1	109.0600	0.098	78	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.4760	0.000	1	109.0600	0.098	78	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.5888	0.061	8	109.0600	0.098	78	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.3162	0.126	6	109.0600	0.098	78	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0371	0.242	56	109.0600	0.098	78	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{8|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.6848	0.209	4	109.0600	0.098	78	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|C<3>,1|N<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3430	0.037	2	109.3504	0.570	15	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0050	0.000	1	109.3504	0.570	15	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|N<3>,2|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2117	0.035	3	109.3504	0.570	15	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8430	0.000	1	109.3504	0.570	15	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9690	0.011	2	109.3504	0.570	15	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|O<2>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1630	0.008	2	109.3504	0.570	15	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.9557	1.380	4	109.3504	0.570	15	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2{1|C<3>,7|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,3|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.4305	0.039	2	108.4305	0.002	2	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2{1|C<3>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.9625	0.028	2	108.8544	0.718	8	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2{8|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.8183	0.999	6	108.8544	0.718	8	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]CH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]CH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.9180	0.024	2	109.9180	0.001	2	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	110.2265	0.725	11	109.9981	0.288	26	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.7150	0.055	4	109.9981	0.288	26	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.8964	0.299	10	109.9981	0.288	26	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2{3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.6340	0.000	1	109.9981	0.288	26	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.8465	1.412	2	109.2634	0.684	16	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.0998	0.540	4	109.2634	0.684	16	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<4>,4|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.6123	0.090	10	109.2634	0.684	16	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HO)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HO)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5625	0.043	2	109.5625	0.002	2	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.5316	0.073	7	108.2922	0.158	15	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.3192	0.051	4	108.2922	0.158	15	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{2|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	107.3515	0.011	2	108.2922	0.158	15	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{2|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.3410	0.011	2	108.2922	0.158	15	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.8510	0.000	1	108.6809	0.010	7	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.6525	0.073	6	108.6809	0.010	7	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3965	0.009	2	109.3965	0.000	2	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]FH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]FH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|F<1>,1|N<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.2795	0.039	2	109.2795	0.002	2	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[4x6]C[6]H)(C[6,6]O[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[4x6]C[6]H)(C[6,6]O[6]2H)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4360	0.000	1	109.4360	0.000	1	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,2|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0485	0.016	2	108.7200	0.144	4	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){3|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.3915	0.023	2	108.7200	0.144	4	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.4815	0.035	2	109.4815	0.001	2	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6,6a]O[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>,3|O<2>}	C[6,6](C[6,6]C[6,6,6a]O[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5900	0.059	2	109.5900	0.004	2	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.3817	0.091	6	109.3189	0.223	48	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,3|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.6490	0.027	2	109.3189	0.223	48	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.2145	0.047	4	109.3189	0.223	48	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.4993	0.173	3	109.3189	0.223	48	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.2120	0.011	2	109.3189	0.223	48	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.4484	0.173	14	109.3189	0.223	48	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.6604	0.045	8	109.3189	0.223	48	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.5650	0.040	2	109.3189	0.223	48	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.6465	0.012	2	109.3189	0.223	48	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|N<2>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.2805	0.012	2	109.3189	0.223	48	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|O<2>,3|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.9155	0.071	2	109.3189	0.223	48	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|O<1>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.5630	0.000	1	109.3189	0.223	48	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.5505	0.028	2	109.6381	0.801	18	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.6225	0.030	2	109.6381	0.801	18	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	112.0470	0.313	2	109.6381	0.801	18	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.2875	0.113	8	109.6381	0.801	18	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.1865	0.073	4	109.6381	0.801	18	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2O)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5340	0.036	4	109.5340	0.001	4	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	111.6545	0.363	2	110.0496	1.328	8	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.9465	0.025	4	110.0496	1.328	8	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|O<2>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.6510	0.242	2	110.0496	1.328	8	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2Br)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2Br)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3852	0.064	4	109.3852	0.004	4	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.1100	0.000	1	109.0772	0.035	5	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.2510	0.008	2	109.0772	0.035	5	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.8870	0.066	2	109.0772	0.035	5	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	109.7705	0.895	4	109.8899	1.207	9	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){4|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	109.9854	1.337	5	109.8899	1.207	9	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.2845	0.016	2	109.2845	0.000	2	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0545	0.057	2	109.0545	0.003	2	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.6570	0.000	1	109.6193	0.002	3	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]C)(C[6]C[6]HH)(H){5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.6005	0.037	2	109.6193	0.002	3	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.2820	0.049	2	109.4253	0.049	6	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.4970	0.246	4	109.4253	0.049	6	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.7125	0.022	2	109.7125	0.000	2	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.1290	0.008	2	109.0880	0.002	4	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(H){1|O<2>,2|O<1>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0470	0.013	2	109.0880	0.002	4	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>,3|O<2>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.3420	0.016	2	109.3420	0.000	2	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|S<2>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5760	0.018	2	109.5760	0.000	2	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3145	0.381	2	109.3145	0.145	2	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9920	0.014	4	108.9920	0.000	4	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]N[5a]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]N[5a]C[6]H)(H)2{1|H<1>,1|N<2>,1|O<2>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4910	0.066	2	109.4910	0.004	2	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]O[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]O[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.6190	0.037	2	109.6190	0.001	2	108.9092	0.473	1712	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:Cl-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(Cl)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6]HO)(H)2{1|Cl<1>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(Cl){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2385	0.025	2	109.2385	0.001	2	109.0808	0.017	6	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:Cl-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(Cl)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(Cl){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0020	0.054	4	109.0020	0.003	4	109.0808	0.017	6	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,5,6,6]HH)(H)2	C[6,6](C[6,6]C[3,3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,5,6,6]HH)(H)2{1|C<3>,7|C<4>}	C[6,6](C[6,6]C[3,3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3914	0.099	5	109.3914	0.010	5	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,5,6]HH)(H)2{1|C<3>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.5690	0.000	1	109.5690	0.000	1	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6,6]HH)(H)2	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3760	0.000	1	109.3760	0.000	1	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6,6]HH)(H)2	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3570	1.503	2	109.3570	2.260	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6,6]HH)(H)2{1|O<2>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.5797	0.046	3	109.5797	0.002	3	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)2	C[6,6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HH)(C[6]O[6]CC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)2{3|O<2>,5|C<4>}	C[6,6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.9520	0.013	2	109.9520	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)2	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7406	1.121	5	108.7406	1.257	5	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)2{1|O<2>,7|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.5735	0.042	2	109.5735	0.002	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3x4]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3x4]C[6]H)(H)2{4|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2440	2.677	2	109.2440	7.167	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3x6]HH)(H)2	C[6,6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3x6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3580	0.058	2	109.3580	0.003	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3x6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3x6]HH)(H)2{1|C<3>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.7713	0.097	3	109.7713	0.009	3	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4,5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4,5,6]HH)(H)2{8|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.3225	0.061	6	109.3225	0.004	6	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4,6,6]HH)(H)2	C[6,6](C[6,6]C[4,6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4,6,6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.6157	1.660	4	108.6157	2.755	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4,6]HH)(H)2	C[6,6](C[6,6]C[4,6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.5263	0.023	4	108.5263	0.001	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4]C[6]H)(H)2{1|Fe<7>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.5363	0.118	25	108.5363	0.014	25	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{1|C<3>,7|C<4>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.7615	0.032	2	109.2275	0.469	56	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{1|C<3>,7|C<4>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5400	0.021	2	109.2275	0.469	56	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{1|C<3>,7|C<4>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.5451	0.137	11	109.2275	0.469	56	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{2|C<3>,6|C<4>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	107.8030	0.423	5	109.2275	0.469	56	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{2|C<3>,6|C<4>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.6285	0.113	17	109.2275	0.469	56	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{3|C<3>,5|C<4>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.2607	0.062	9	109.2275	0.469	56	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{8|C<4>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.6935	0.022	2	109.2275	0.469	56	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{8|C<4>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.5362	0.051	4	109.2275	0.469	56	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{8|C<4>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.6412	0.045	4	109.2275	0.469	56	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(H)2	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(H)2{1|C<3>,7|C<4>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.7198	0.108	6	109.7016	0.010	8	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(H)2	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(H)2{8|C<4>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.6470	0.075	2	109.7016	0.010	8	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(H)2{2|C<3>,6|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2375	0.108	4	109.2375	0.012	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(H)2{2|C<3>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8242	0.197	5	108.8242	0.039	5	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HO)(H)2	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HO)(H)2{1|C<3>,7|C<4>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.7790	0.417	2	109.7790	0.174	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6,6]HH)(H)2	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6,6]HH)(H)2{1|O<2>,7|C<4>}	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.3605	0.016	2	109.3605	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8760	0.000	1	108.8760	0.000	1	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]CH)(H)2	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]CH)(H)2{2|C<4>,3|H<1>,3|O<2>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(H){2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.3600	0.008	2	108.3600	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8400	0.000	1	108.8400	0.000	1	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{3|C<3>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2370	0.000	1	109.2370	0.000	1	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|O<2>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.6525	0.013	2	109.6525	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4100	0.231	2	109.4975	0.181	64	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6636	0.036	5	109.4975	0.181	64	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.6895	0.028	2	109.4975	0.181	64	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.6135	0.037	2	109.4975	0.181	64	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.7040	0.153	37	109.4975	0.181	64	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{2|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8525	0.016	2	109.4975	0.181	64	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{2|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6170	0.054	2	109.4975	0.181	64	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{2|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	110.0395	0.019	2	109.4975	0.181	64	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{3|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1217	0.180	4	109.4975	0.181	64	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{3|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5090	0.000	1	109.4975	0.181	64	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{8|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.8064	0.067	5	109.4975	0.181	64	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9340	0.065	2	108.9340	0.004	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2{1|C<3>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.7520	0.058	2	109.6707	0.047	10	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2{1|C<3>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	110.0175	0.018	2	109.6707	0.047	10	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2{2|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5733	0.068	4	109.6707	0.047	10	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2{8|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4375	0.026	2	109.6707	0.047	10	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1675	0.078	4	109.1675	0.006	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CC)(H)2	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CC)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]HH)2(H){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2613	0.058	4	109.2613	0.003	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C[6a]O)(H)2	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C[6a]O)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7610	0.011	2	108.7610	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2335	0.029	2	109.2335	0.001	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7453	0.764	9	109.0974	0.155	72	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6085	0.005	2	109.0974	0.155	72	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.4840	0.035	2	109.0974	0.155	72	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<2>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4862	0.082	4	109.0974	0.155	72	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.3853	0.388	3	109.0974	0.155	72	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.7560	0.058	2	109.0974	0.155	72	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8452	0.078	6	109.0974	0.155	72	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9850	0.062	3	109.0974	0.155	72	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8560	0.014	2	109.0974	0.155	72	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0615	0.076	2	109.0974	0.155	72	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|N<3>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.6190	0.013	2	109.0974	0.155	72	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|O<2>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2634	0.347	5	109.0974	0.155	72	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|O<2>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0827	0.150	16	109.0974	0.155	72	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4090	0.222	5	109.0974	0.155	72	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{2|C<3>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2840	0.061	2	109.0974	0.155	72	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{2|C<3>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0325	0.019	4	109.0974	0.155	72	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{8|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3560	0.000	1	109.0974	0.155	72	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{8|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3335	0.022	2	109.0974	0.155	72	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2668	0.106	4	109.3112	0.012	6	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)2(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4000	0.031	2	109.3112	0.012	6	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6,6]CO)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6,6]CO)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2408	0.351	4	109.2408	0.123	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8780	0.016	2	109.0008	0.038	12	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0840	0.173	7	109.0008	0.038	12	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.6050	0.000	1	109.0008	0.038	12	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0305	0.019	2	109.0008	0.038	12	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]N[5,6]H)(C[6]C[5,6]CO)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6]N[5,6]H)(C[6]C[5,6]CO)(C[6]C[6]HH)(H){1|C<3>,2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.0720	0.008	2	109.0720	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{2|C<3>,6|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.7285	0.015	2	109.7285	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.5920	0.033	2	108.5920	0.001	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(H)2{1|C<3>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1550	0.000	1	109.1550	0.000	1	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(H)2	C[6,6](C[6,6]N[5,6,6]HH)(C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]N[5,6,6]HH)(C[6]C[5,6,6]HH)(C[6]C[6]HH)(H){1|H<1>,1|I<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.7103	0.254	32	109.7103	0.064	32	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8230	0.491	19	108.6657	0.098	82	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7550	0.046	3	108.6657	0.098	82	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{1|Cl<1>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.5415	0.313	4	108.6657	0.098	82	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.5630	0.279	4	108.6657	0.098	82	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.6432	0.128	42	108.6657	0.098	82	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.5250	0.414	10	108.6657	0.098	82	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]O[6]O)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]O[6]O)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1725	0.047	2	109.1725	0.002	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]O[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]O[6]H)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9935	0.023	2	108.9935	0.001	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1228	0.066	5	109.1228	0.004	5	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(H)2	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(H)2{2|C<4>,3|H<1>,3|O<2>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(H){2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.2380	0.038	6	108.2380	0.001	6	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CO)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.7345	0.140	4	108.7345	0.020	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,6|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|N<2>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.7945	0.008	2	109.7945	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)2(H){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.7580	0.010	2	109.7580	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.6450	0.050	3	109.6450	0.003	3	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,1|S<2>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.3410	0.030	2	109.3410	0.001	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3255	0.016	2	109.3255	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[4,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[4,6]HH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.5387	0.151	4	109.5387	0.023	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0263	0.148	7	109.2123	0.075	13	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.6740	0.018	2	109.2123	0.075	13	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.5080	0.000	1	109.2123	0.075	13	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2400	0.073	3	109.2123	0.075	13	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.6015	0.015	2	109.5341	0.005	9	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.5356	0.060	5	109.5341	0.005	9	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4630	0.054	2	109.5341	0.005	9	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1980	0.117	23	109.2046	0.022	46	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2111	0.178	23	109.2046	0.022	46	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.5625	0.026	2	109.4547	0.047	7	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.6505	0.008	2	109.4547	0.047	7	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3525	0.028	2	109.4547	0.047	7	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0520	0.000	1	109.4547	0.047	7	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2530	0.025	2	109.0923	0.078	3	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7710	0.000	1	109.0923	0.078	3	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]BrH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|Br<1>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]BrH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5015	0.009	2	109.5015	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<2>,3|C<4>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4720	0.045	4	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.6430	0.000	1	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.2170	0.021	2	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.6903	0.069	3	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.6942	0.330	6	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.6079	0.211	12	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.6083	0.040	3	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.5647	0.087	6	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.6698	0.195	6	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.5203	0.179	8	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3955	0.018	2	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|N<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.5755	0.009	2	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.6760	1.533	2	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.5562	0.221	34	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.6255	0.286	19	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.5678	0.187	8	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5145	0.013	2	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|Cr<9>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|Cr<9>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	106.8570	2.104	2	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0775	0.101	4	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4160	0.267	2	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2630	0.000	1	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3405	0.022	2	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.2310	0.007	2	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0515	0.633	4	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4185	0.026	2	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|Br<1>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5495	0.037	2	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.3965	0.006	2	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|I<1>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5983	0.082	4	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5145	0.006	2	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.4786	0.301	24	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.6175	0.242	6	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.6330	0.084	8	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.8762	0.026	4	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.6066	0.191	11	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.8740	0.013	2	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.6355	0.054	2	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6575	0.019	2	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5785	0.152	4	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.5880	0.010	2	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.6825	0.115	4	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.7865	0.071	2	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.7803	0.082	3	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.8162	0.067	4	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	110.6800	0.485	2	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5267	0.172	25	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.4887	0.045	3	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5323	0.223	129	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4320	0.047	2	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.3903	0.195	26	109.5193	0.120	414	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.5870	0.030	2	109.2490	0.359	12	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.9685	0.265	2	109.2490	0.359	12	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.5355	0.029	2	109.2490	0.359	12	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.1343	0.551	6	109.2490	0.359	12	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.7727	0.029	3	109.7727	0.001	3	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|Cl<1>,1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3710	0.281	2	109.4349	0.143	7	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|Cl<1>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4604	0.438	5	109.4349	0.143	7	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4265	0.019	2	109.4265	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2534	0.298	9	109.2534	0.089	9	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0400	0.000	1	109.2815	0.636	302	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3535	0.008	2	109.2815	0.636	302	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.8485	0.006	2	109.2815	0.636	302	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.6759	0.072	7	109.2815	0.636	302	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.7525	0.036	4	109.2815	0.636	302	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.6417	0.117	9	109.2815	0.636	302	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3580	0.107	8	109.2815	0.636	302	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2742	0.094	4	109.2815	0.636	302	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3870	0.127	2	109.2815	0.636	302	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2468	0.076	4	109.2815	0.636	302	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|N<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9940	0.033	2	109.2815	0.636	302	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.6030	0.000	1	109.2815	0.636	302	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8159	2.088	35	109.2815	0.636	302	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.6710	0.013	2	109.2815	0.636	302	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.6360	0.067	4	109.2815	0.636	302	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.5455	0.021	2	109.2815	0.636	302	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<2>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3215	0.185	4	109.2815	0.636	302	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4257	0.172	7	109.2815	0.636	302	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|Cl<1>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2485	0.021	2	109.2815	0.636	302	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|N<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1810	0.028	2	109.2815	0.636	302	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|N<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2809	0.092	7	109.2815	0.636	302	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1485	0.170	2	109.2815	0.636	302	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2759	0.362	165	109.2815	0.636	302	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|Br<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.6060	0.000	1	109.2815	0.636	302	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|N<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.6905	0.052	2	109.2815	0.636	302	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9690	0.000	1	109.2815	0.636	302	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.4524	0.657	16	109.2815	0.636	302	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5220	0.369	4	109.2815	0.636	302	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[5]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[5]H)(C[6]C[6]HH)(H){1|O<1>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4990	0.000	1	109.4990	0.000	1	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|N<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6]H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3585	0.008	2	109.3585	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1440	0.000	1	109.1440	0.000	1	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.5535	0.008	2	108.8150	0.094	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0765	0.088	2	108.8150	0.094	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0415	0.015	2	109.3000	0.022	10	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3435	0.072	4	109.3000	0.022	10	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){3|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3858	0.050	4	109.3000	0.022	10	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.5602	1.627	4	108.8087	1.730	16	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5264	0.227	7	108.8087	1.730	16	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.0026	1.628	5	108.8087	1.730	16	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4370	0.028	2	109.4370	0.001	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,6|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|O<1>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.8530	0.057	2	109.6780	0.027	5	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|C<3>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|O<1>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5613	0.040	3	109.6780	0.027	5	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HN)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HN)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|N<3>,1|N<4>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.5175	0.032	4	108.5175	0.001	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.6620	0.016	2	109.4460	0.176	37	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.6015	0.063	2	109.4460	0.176	37	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3085	0.149	8	109.4460	0.176	37	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.8745	0.287	4	109.4460	0.176	37	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4180	0.011	2	109.4460	0.176	37	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|O<2>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.3695	0.021	2	109.4460	0.176	37	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|O<2>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	110.1410	0.194	2	109.4460	0.176	37	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4390	0.013	2	109.4460	0.176	37	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.6312	0.169	4	109.4460	0.176	37	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{2|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5798	0.138	6	109.4460	0.176	37	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{3|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4155	0.023	2	109.4460	0.176	37	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{8|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,3|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4400	0.000	1	109.4460	0.176	37	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.5447	0.149	4	109.5447	0.022	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.6040	0.031	2	108.5054	3.022	186	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.3780	0.000	1	108.5054	3.022	186	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4465	0.187	6	108.5054	3.022	186	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.5070	1.782	177	108.5054	3.022	186	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.1465	0.011	2	108.1465	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[5a]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[5a]C[6]C)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|S<2>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3603	0.407	4	109.3603	0.166	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|C<2>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.5965	0.067	2	109.8377	0.481	114	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.8225	0.013	2	109.8377	0.481	114	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.7097	0.200	4	109.8377	0.481	114	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.8630	0.031	4	109.8377	0.481	114	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.7945	0.215	37	109.8377	0.481	114	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	110.0765	1.201	2	109.8377	0.481	114	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|Se<2>,1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.8750	0.010	2	109.8377	0.481	114	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	110.6305	2.036	10	109.8377	0.481	114	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.6580	0.185	4	109.8377	0.481	114	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.7648	0.292	45	109.8377	0.481	114	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{3|C<4>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.8570	0.011	2	109.8377	0.481	114	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.9030	0.142	4	109.6564	0.041	16	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4955	0.013	2	109.6564	0.041	16	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5900	0.157	10	109.6564	0.041	16	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CN)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|N<2>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.7850	0.034	2	109.7850	0.001	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|O<2>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.8990	0.004	2	109.8167	0.020	3	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|O<2>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.6520	0.000	1	109.8167	0.020	3	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5190	0.007	2	109.5190	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|S<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5045	0.070	2	109.5045	0.005	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5168	0.456	10	109.5168	0.208	10	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]N[6]CH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]N[6]CH)(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5285	0.013	2	109.5285	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.7469	0.062	8	109.7469	0.004	8	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]S[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]S[6]H)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5675	0.012	2	109.5675	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.6005	0.022	2	109.6005	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]O[6]N)(C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6,6](C[6,6]C[6,6a]O[6]N)(C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H){2|H<1>,6|C<3>}	H(C[6]C[6,6]C[6]H)	109.0430	0.071	3	109.0430	0.005	3	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2C)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2C)(H)2{1|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.3475	0.015	2	108.3475	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2{1|C<3>,1|N<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3728	0.127	5	109.3728	0.016	5	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.2113	1.030	4	108.5729	0.409	11	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.6877	0.098	3	108.5729	0.409	11	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8485	0.089	4	108.5729	0.409	11	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2O)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2O)(H)2{5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.0287	0.382	3	108.0287	0.146	3	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Br2)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Br2)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|Br<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4945	0.008	2	109.4945	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|Br<1>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.7450	0.014	2	109.7450	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1115	0.016	2	109.1115	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.4360	0.000	1	108.4360	0.000	1	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.7465	0.013	2	108.7911	0.029	8	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8060	0.199	6	108.7911	0.029	8	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.5553	0.081	4	109.5553	0.007	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8240	0.011	2	108.8240	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.7230	0.038	2	108.7230	0.001	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.5413	0.234	8	108.5413	0.055	8	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HN)(H){4|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.7075	0.006	2	108.7075	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.5440	0.033	2	108.5108	0.909	8	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.6650	0.048	2	108.5108	0.909	8	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	107.2035	0.476	2	108.5108	0.909	8	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.6305	0.398	2	108.5108	0.909	8	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7190	0.149	4	108.7190	0.022	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){4|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.8070	0.042	2	109.8070	0.002	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8420	0.023	2	108.8420	0.001	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.7550	0.000	1	108.7550	0.000	1	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,2|H<1>,2|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.6930	0.481	2	109.1425	0.233	6	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7875	0.009	2	109.1425	0.233	6	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9470	0.008	2	109.1425	0.233	6	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8923	0.168	3	108.8923	0.028	3	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1002	0.052	6	109.1002	0.003	6	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]B[6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|B<4>,1|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]B[6]HH)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.0358	1.342	8	108.0358	1.801	8	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.4800	0.030	2	108.4800	0.001	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CO)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	107.3845	0.040	2	107.3845	0.002	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.7423	0.153	3	108.9719	0.117	28	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8229	0.113	14	108.9719	0.117	28	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9040	0.286	8	108.9719	0.117	28	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0773	0.319	3	108.9719	0.117	28	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1382	1.920	4	109.1382	3.688	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.1355	0.022	2	109.1355	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0175	0.180	4	109.0175	0.033	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|H<1>,2|O<2>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1785	0.022	2	108.8987	3.403	18	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.4875	4.215	4	108.8987	3.403	18	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2225	0.028	2	108.8987	3.403	18	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.7747	0.016	3	108.8987	3.403	18	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.5859	0.290	7	108.8987	3.403	18	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HN)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HN)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8680	0.000	1	108.8680	0.000	1	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9595	0.005	2	108.9595	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0370	0.132	3	109.1887	0.051	11	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.9240	0.008	2	109.1887	0.051	11	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.3528	0.143	6	109.1887	0.051	11	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<2>,2|F<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2235	0.206	2	109.2235	0.042	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.8285	0.009	2	109.8285	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.6840	0.006	2	108.8285	0.033	11	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8606	0.187	9	108.8285	0.033	11	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<2>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0185	0.270	4	108.9543	0.029	22	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8475	0.103	8	108.9543	0.029	22	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0141	0.140	10	108.9543	0.029	22	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.3437	0.105	3	109.3437	0.011	3	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	107.9972	0.177	4	107.9972	0.031	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.3910	0.014	2	108.3910	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]FH)(H)2	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]FH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2570	0.021	2	109.2570	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6]HH)(H){3|C<4>,3|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1010	0.021	2	109.1010	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5]C[6]C)(C[6]C[6]HH)(H){3|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0945	0.005	2	108.8817	0.302	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5]C[6]C)(C[6]C[6]HH)(H){3|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6690	0.851	2	108.8817	0.302	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2780	0.020	2	109.1585	0.020	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0390	0.048	2	109.1585	0.020	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	107.9140	0.847	4	108.4939	2.357	8	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0738	1.971	4	108.4939	2.357	8	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1525	1.508	2	109.1525	2.275	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.6432	0.146	4	109.5546	0.010	21	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4870	0.018	2	109.5546	0.010	21	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.5399	0.079	15	109.5546	0.010	21	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9810	0.215	4	108.9810	0.046	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.6660	0.069	2	109.6660	0.005	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4075	0.019	2	109.4075	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.6730	0.035	2	109.6497	0.374	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.6265	1.057	2	109.6497	0.374	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]HH)2(H){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.5100	0.082	3	109.5100	0.007	3	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.3300	0.021	3	109.3300	0.000	3	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5a,6]C[6]O)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5a,6]C[6]O)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7798	0.970	4	108.7798	0.941	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]BrH)(C[6]C[6]BrH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|Br<1>,1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]BrH)(C[6]C[6]BrH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	110.9155	1.377	2	110.9155	1.895	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1090	0.028	2	108.5730	0.083	22	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.5194	0.243	20	108.5730	0.083	22	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1840	0.130	4	109.1840	0.017	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5090	0.010	2	109.3690	0.512	21	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0870	0.042	2	109.3690	0.512	21	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.3857	0.792	17	109.3690	0.512	21	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2322	0.059	5	109.2322	0.003	5	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5032	0.268	6	109.5032	0.072	6	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3625	0.018	2	109.3625	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3340	0.006	2	109.3340	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2360	0.028	2	109.2360	0.001	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6000	0.059	3	108.6000	0.003	3	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]CC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]CC)(H){2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9185	0.033	2	108.9185	0.001	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0002	0.113	6	109.0002	0.013	6	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1190	0.034	2	108.8135	0.149	13	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2810	0.006	2	108.8135	0.149	13	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.7689	0.255	7	108.8135	0.149	13	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<4>,1|P<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.1970	0.052	2	108.8135	0.149	13	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9299	1.543	8	108.9299	2.382	8	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.6895	0.016	2	108.6895	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.0493	1.640	4	108.0493	2.690	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]HS)(C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]HS)(C[6]N[5a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.3025	6.287	2	108.3025	39.525	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4440	0.012	4	109.4440	0.000	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.6377	0.079	3	109.4098	0.348	22	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1947	0.526	11	109.4098	0.348	22	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.7185	0.008	2	109.4098	0.348	22	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5873	0.834	6	109.4098	0.348	22	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){4|H<1>,7|C<3>}	H(C[6]C[6,6]C[6]H)	109.0485	0.012	2	109.0485	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.9330	0.038	4	109.9330	0.001	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.4427	0.218	27	109.4427	0.048	27	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1290	0.010	2	109.1290	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3940	0.024	2	109.2613	0.013	6	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1435	0.039	2	109.2613	0.013	6	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2465	0.018	2	109.2613	0.013	6	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.6215	0.043	2	109.6215	0.002	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2567	0.081	12	109.2567	0.007	12	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]BrH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]BrH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2315	0.072	4	109.2315	0.005	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8576	1.516	20	109.3665	0.564	128	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.6570	0.006	2	109.3665	0.564	128	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4420	0.049	2	109.3665	0.564	128	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.6195	0.013	2	109.3665	0.564	128	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2108	0.446	12	109.3665	0.564	128	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|Br<1>,1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3930	0.007	2	109.3665	0.564	128	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4783	0.242	7	109.3665	0.564	128	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.2431	1.475	8	109.3665	0.564	128	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.2725	0.018	2	109.3665	0.564	128	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,7|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.4710	0.016	2	109.3665	0.564	128	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.5543	0.099	6	109.3665	0.564	128	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.9795	0.023	2	109.3665	0.564	128	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3180	0.031	2	109.3665	0.564	128	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5460	0.118	4	109.3665	0.564	128	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,7|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.4625	0.037	2	109.3665	0.564	128	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,7|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.5607	0.157	6	109.3665	0.564	128	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,7|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5675	0.145	4	109.3665	0.564	128	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,7|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.5290	0.144	25	109.3665	0.564	128	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.4411	0.126	9	109.3665	0.564	128	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0783	0.034	3	109.3665	0.564	128	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{8|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.6898	0.151	6	109.3665	0.564	128	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1775	0.016	2	109.3425	0.037	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5075	0.057	2	109.3425	0.037	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.9490	0.020	2	108.9490	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CS)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CS)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	110.4045	0.612	2	110.4045	0.374	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.4547	0.120	3	109.4547	0.014	3	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]OO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>,3|O<2>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]OO)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	110.0665	2.928	2	110.0665	8.574	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1190	0.221	4	109.1987	0.242	26	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.1485	0.124	2	109.1987	0.242	26	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4325	1.513	2	109.1987	0.242	26	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4620	0.038	2	109.1987	0.242	26	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0005	0.019	2	109.1987	0.242	26	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5060	0.000	1	109.1987	0.242	26	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1255	0.046	2	109.1987	0.242	26	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1760	0.047	2	109.1987	0.242	26	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,2|O<1>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.6400	0.026	3	109.1987	0.242	26	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){2|C<4>,2|O<1>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0230	0.010	2	109.1987	0.242	26	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1950	0.014	2	109.1987	0.242	26	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.5685	0.012	2	109.1987	0.242	26	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3882	0.029	4	109.3882	0.001	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.5655	0.248	2	108.5655	0.062	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.1770	0.563	2	109.0523	1.877	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.9275	1.500	2	109.0523	1.877	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2815	0.042	2	109.1380	0.037	6	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|S<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2345	0.084	2	109.1380	0.037	6	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.8980	0.018	2	109.1380	0.037	6	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4230	0.035	2	109.5000	0.020	6	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5385	0.164	4	109.5000	0.020	6	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9705	0.025	2	109.5929	5.107	50	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1985	0.022	2	109.5929	5.107	50	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2800	0.050	4	109.5929	5.107	50	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.2195	0.047	2	109.5929	5.107	50	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	110.4887	3.962	12	109.5929	5.107	50	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0588	0.495	4	109.5929	5.107	50	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4640	0.000	1	109.5929	5.107	50	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2690	0.010	2	109.5929	5.107	50	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.6913	0.079	9	109.5929	5.107	50	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4575	0.010	4	109.5929	5.107	50	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.0210	0.790	4	109.5929	5.107	50	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1277	4.465	4	109.5929	5.107	50	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5567	0.035	4	109.5567	0.001	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|N<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5845	1.114	2	109.5845	1.240	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HS)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HS)(H){1|C<4>,1|N<3>,2|O<1>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3900	0.000	1	109.3900	0.000	1	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]HH)(H){3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3757	0.182	4	109.4055	0.017	8	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]HH)(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.4352	0.062	4	109.4055	0.017	8	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1755	0.030	2	109.1755	0.001	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]CH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]CH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4545	0.016	2	109.4545	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7575	0.394	4	108.9930	0.251	90	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3208	0.070	4	108.9930	0.251	90	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2550	0.530	2	108.9930	0.251	90	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4110	0.004	2	108.9930	0.251	90	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1990	0.000	1	108.9930	0.251	90	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1385	0.005	2	108.9930	0.251	90	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2145	0.022	2	108.9930	0.251	90	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.3815	0.027	6	108.9930	0.251	90	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0378	0.045	6	108.9930	0.251	90	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0130	0.000	1	108.9930	0.251	90	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1747	0.171	6	108.9930	0.251	90	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0390	0.044	2	108.9930	0.251	90	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0327	0.032	4	108.9930	0.251	90	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.9480	0.072	4	108.9930	0.251	90	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.1723	0.137	8	108.9930	0.251	90	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){2|B<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0695	0.023	2	108.9930	0.251	90	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2963	0.041	4	108.9930	0.251	90	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){2|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.8778	0.334	21	108.9930	0.251	90	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	107.9393	1.138	7	108.9930	0.251	90	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2670	0.016	2	108.9930	0.251	90	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2490	0.000	1	109.5957	0.028	7	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.6015	0.060	2	109.5957	0.028	7	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.6795	0.071	4	109.5957	0.028	7	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2Ir)(C[6]C[6]HH)(C[6]P[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ir<5>,1|P<4>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2Ir)(C[6]C[6]HH)(C[6]P[6]HH)(H){4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2407	0.194	6	109.3224	0.086	9	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2Ir)(C[6]C[6]HH)(C[6]P[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ir<6>,1|P<4>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2Ir)(C[6]C[6]HH)(C[6]P[6]HH)(H){4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.9910	0.000	1	109.3224	0.086	9	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2Ir)(C[6]C[6]HH)(C[6]P[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ir<7>,1|P<4>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2Ir)(C[6]C[6]HH)(C[6]P[6]HH)(H){4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2335	0.013	2	109.3224	0.086	9	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2940	0.028	2	109.2940	0.001	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.2812	0.242	16	109.2561	0.044	22	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.1892	0.049	6	109.2561	0.044	22	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CO)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.4060	0.024	2	109.4060	0.001	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]N[6]CH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]N[6]CH)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	106.9185	1.380	2	106.9185	1.903	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(H){1|C<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1239	0.109	8	108.9446	0.547	16	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	107.1030	0.068	2	108.9446	0.547	16	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1795	0.032	2	108.9446	0.547	16	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3895	0.239	4	108.9446	0.547	16	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|N<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.7575	0.013	2	109.7575	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|B<4>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7802	0.075	4	109.0126	0.069	8	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.2450	0.105	4	109.0126	0.069	8	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3665	0.028	2	109.1215	0.037	6	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0135	0.036	2	109.1215	0.037	6	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9845	0.012	2	109.1215	0.037	6	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4945	0.064	2	109.4945	0.004	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.8360	0.047	2	109.8360	0.002	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2000	0.013	2	109.2000	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]CH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]CH)(H){1|S<4>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0328	0.118	5	109.0328	0.014	5	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<1>,2|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.8675	0.036	2	109.8675	0.001	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2970	0.014	2	109.2197	0.190	47	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0955	0.011	2	109.2197	0.190	47	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.7755	0.162	4	109.2197	0.190	47	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H){2|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.0130	0.035	2	109.2197	0.190	47	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8808	0.118	6	109.2197	0.190	47	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H){1|P<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2285	0.164	4	109.2197	0.190	47	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9550	0.831	4	109.2197	0.190	47	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H){3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5019	0.272	14	109.2197	0.190	47	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H){2|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.1175	0.056	2	109.2197	0.190	47	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.8761	0.441	7	109.2197	0.190	47	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9975	0.053	2	108.9975	0.003	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]O)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]N[6]O)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.9477	1.050	4	108.7930	0.618	8	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]O)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]O)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.6382	0.525	4	108.7930	0.618	8	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]O[6])(C[6]C[6,6a]HN)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]O[6])(C[6]C[6,6a]HN)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0685	0.013	2	109.0685	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[5,6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[5,6]CC)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.9010	0.013	2	109.9010	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2565	0.046	2	109.2565	0.002	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CN)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CN)(C[6]C[6]HH)(H){2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	107.8985	1.710	2	107.8985	2.926	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.5270	0.027	2	109.5270	0.001	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]N[6]CC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]N[6]CC)(H){1|S<4>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4000	0.000	1	109.4000	0.000	1	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]N[6]CH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]N[6]CH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.7065	1.602	2	109.7065	2.565	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]S[6]CC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,1|S<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]S[6]CC)(H){1|Co<5>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3010	0.013	2	109.3010	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6a]HN)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6a]HN)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2900	0.034	2	109.2900	0.001	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|S<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	107.6215	0.042	2	107.5545	0.022	6	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	107.5210	0.178	4	107.5545	0.022	6	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1025	0.026	2	109.1025	0.001	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6a]C[6]O[6])(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6a]C[6]O[6])(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9650	0.013	2	108.9650	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]In[6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|In<4>,1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]In[6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|Br<1>,1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.6670	0.170	2	108.6670	0.029	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	110.6675	1.893	2	110.6675	3.583	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]S[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|S<2>,6|H<1>}	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]S[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8980	0.158	4	108.8980	0.025	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,6|H<1>}	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8203	0.146	3	108.9217	0.022	7	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9040	0.011	2	108.9217	0.022	7	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0915	0.008	2	108.9217	0.022	7	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]CH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.6130	0.040	2	109.6130	0.002	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8945	0.028	2	108.8945	0.001	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|N<3>,4|H<1>}	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0750	0.007	2	109.0750	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]O[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,5|H<1>}	C[6,6](C[6,6]O[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.8090	0.008	2	109.8090	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|N<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.4495	0.005	2	109.2301	0.247	9	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|N<3>,1|N<4>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.6575	0.025	4	109.2301	0.247	9	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|N<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1807	0.099	3	109.2301	0.247	9	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.6985	0.429	4	109.6985	0.184	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7825	0.111	16	108.9590	0.860	24	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1972	2.449	4	108.9590	0.860	24	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.4270	0.035	4	108.9590	0.860	24	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5373	0.082	3	109.5373	0.007	3	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)2(H){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0310	0.035	2	109.0310	0.001	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5]C[6]C)(C[6]C[6]HH)(H){4|H<1>,4|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.6140	0.010	2	108.6140	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,3|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.7020	0.000	1	109.7020	0.000	1	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4667	0.150	4	109.4667	0.023	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)2(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4550	0.000	1	109.4550	0.000	1	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|N<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HN)(H){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	110.0575	0.052	2	110.0575	0.003	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2548	0.534	6	109.2548	0.285	6	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2046	0.249	10	109.0213	0.745	382	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3584	0.353	8	109.0213	0.745	382	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4340	0.028	2	109.0213	0.745	382	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.8860	0.004	2	109.0213	0.745	382	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5060	0.024	2	109.0213	0.745	382	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.8175	0.057	2	109.0213	0.745	382	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|Cl<1>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.6035	0.009	2	109.0213	0.745	382	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.0200	0.266	6	109.0213	0.745	382	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0965	0.029	2	109.0213	0.745	382	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1456	0.525	157	109.0213	0.745	382	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8918	1.087	189	109.0213	0.745	382	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.7378	0.680	5	109.7378	0.462	5	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.6755	0.005	2	109.4515	0.067	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2275	0.035	2	109.4515	0.067	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.6690	0.008	2	109.6690	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{2|H<1>,6|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.3825	0.018	2	109.3825	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.4565	0.013	2	109.4565	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2370	0.006	2	109.2370	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.1695	2.099	2	108.1695	4.407	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.6450	0.043	3	109.6450	0.002	3	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3150	0.016	2	109.3150	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1530	0.068	4	109.1530	0.005	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)(H)2	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|S<4>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4115	0.045	8	109.4115	0.002	8	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]NN)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]NN)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|N<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0745	0.025	2	109.0745	0.001	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N[5]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N[5]H)(H)2{2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|N<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0510	0.052	4	109.0510	0.003	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]RhH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RhH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]RhH)(H)2{2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RhH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.8918	0.049	4	109.8918	0.002	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]RuH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]RuH)(H)2{2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuC)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	110.4091	0.122	7	110.4471	0.011	17	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]RuH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]RuH)(H)2{3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuC)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	110.4736	0.084	10	110.4471	0.011	17	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]RuH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]RuH)(H)2{2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	110.4803	0.274	16	110.4699	0.064	26	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]RuH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]RuH)(H)2{3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RuH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	110.4532	0.227	10	110.4699	0.064	26	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SiH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SiH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|Si<4>,1|C<3>,1|H<1>,2|C<4>,2|O<1>}	H(C[6]C[6,6]C[6]H)	109.0730	0.040	2	109.0730	0.002	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.1355	0.034	4	109.1355	0.001	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	110.8845	4.361	2	110.8845	19.016	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6185	0.045	2	108.6185	0.002	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CS)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|N<3>,1|S<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CS)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8140	0.000	1	108.8140	0.000	1	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9758	1.346	4	108.9758	1.811	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,2|O<1>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3607	0.137	3	109.3607	0.019	3	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]Rh)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RhH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]Rh)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RhH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.7775	2.737	2	111.5066	4.893	14	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]Rh)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RhH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]Rh)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RhH)(C[6]C[6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	111.7948	2.113	12	111.5066	4.893	14	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2{1|C<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.5460	0.000	1	108.5460	0.000	1	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2{2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8260	0.004	2	108.8260	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2{1|C<4>,2|H<1>,6|C<3>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>}	H(C[6]C[6,6]C[6]H)	109.5740	0.013	2	109.5740	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]CH)(H)2	C[6,6](C[6,6]C[5a,6]C[6]O)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]CH)(H)2{1|C<3>,1|N<2>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[5a,6]C[6]O)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	111.5805	0.288	2	111.5805	0.083	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]CH)(H)2	C[6,6](C[6,6]C[5a,6]C[6]O)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]CH)(H)2{1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5a,6]C[6]O)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	110.2608	0.895	4	110.2608	0.800	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]CH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]CH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6,6]C[6]H)	109.3385	0.015	2	109.1349	0.061	9	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]CH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]CH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.1917	0.261	4	109.1349	0.061	9	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]CH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]CH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.9233	0.163	3	109.1349	0.061	9	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	C[6,6](C[6,6]C[6,6]CH)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]CH)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H){1|C<3>,2|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9218	0.087	4	108.9218	0.008	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	C[6,6](C[6,6]C[6,6]CH)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]CH)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9048	1.218	4	108.9048	1.485	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	110.2840	0.031	2	109.9115	0.186	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.5390	0.024	2	109.9115	0.186	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4465	0.026	2	109.6275	0.044	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.8085	0.019	2	109.6275	0.044	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,2|O<1>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.6950	0.161	4	108.6950	0.026	4	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.3670	0.479	2	108.3670	0.230	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9730	0.040	2	108.9730	0.002	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]CH)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6,6]CH)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.8060	0.006	2	109.8060	0.000	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){2|C<3>,2|O<2>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.7107	0.117	6	109.7107	0.014	6	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]P[6]HH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]P[6]HH)(H)2{1|Se<1>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){1|C<4>,1|P<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6930	0.058	2	108.6930	0.003	2	109.2248	0.784	3390	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(O){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	111.8015	1.020	2	111.8015	1.041	2	111.8015	1.041	2	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]CH)(H){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.1630	0.027	2	109.1630	0.001	2	109.2313	0.112	6	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.8990	0.062	2	108.8990	0.004	2	109.2313	0.112	6	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.6320	0.045	2	109.6320	0.002	2	109.2313	0.112	6	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:In[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]In[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(In[6]O[6]Br2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]In[6]H)(C[6]C[6]HH)(H)2{2|Br<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(In[6]O[6]Br2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.7540	0.389	2	108.7540	0.151	2	108.7540	0.151	2	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2C)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	109.2980	0.013	2	109.2980	0.000	2	109.1958	1.441	164	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Cu)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|Cu<4>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Cu)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.0075	0.598	11	109.2354	0.519	19	109.1958	1.441	164	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Cu)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|Cu<5>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Cu)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.5489	0.794	8	109.2354	0.519	19	109.1958	1.441	164	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	108.3310	3.927	2	109.1221	0.640	28	109.1958	1.441	164	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){10|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.1946	0.157	16	109.1221	0.640	28	109.1958	1.441	164	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.2267	0.077	4	109.1221	0.640	28	109.1958	1.441	164	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	109.0525	0.032	2	109.1221	0.640	28	109.1958	1.441	164	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<4>,3|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	109.1583	0.165	4	109.1221	0.640	28	109.1958	1.441	164	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Hg)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|Hg<4>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Hg)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.0422	0.126	4	109.0422	0.016	4	109.1958	1.441	164	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Li)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|Li<4>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Li)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.2916	0.319	29	109.2916	0.102	29	109.1958	1.441	164	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Ni)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|Ni<4>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Ni)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.2823	0.042	3	109.2823	0.002	3	109.1958	1.441	164	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Pd)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|Pd<4>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Pd)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.2954	1.560	58	109.1494	3.327	62	109.1958	1.441	164	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Pd)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|Pd<5>,1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Pd)(C[6]C[6]HH)(H){1|N<4>,2|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	107.0312	3.871	4	109.1494	3.327	62	109.1958	1.441	164	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Rh)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|Rh<6>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Rh)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.5290	0.500	4	109.5290	0.250	4	109.1958	1.441	164	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Zn)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|Zn<4>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2Zn)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.2134	0.189	13	109.2134	0.036	13	109.1958	1.441	164	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6]BH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6]BH)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.7062	0.085	4	109.7062	0.007	4	109.0002	0.149	42	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6]HH)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.7960	0.144	4	109.7960	0.021	4	109.0002	0.149	42	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6]CuC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|Cu<4>,1|N<4>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6]CuC)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0005	0.013	2	109.0005	0.000	2	109.0002	0.149	42	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6]CuH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|Cu<3>,1|N<4>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6]CuH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.8420	0.000	1	108.7786	0.004	23	109.0002	0.149	42	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6]CuH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|Cu<4>,1|N<4>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6]CuH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.7757	0.064	22	108.7786	0.004	23	109.0002	0.149	42	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6]PdC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|Pd<4>,1|N<4>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6]PdC)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9412	0.084	8	108.9412	0.007	8	109.0002	0.149	42	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6]PdH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|Pd<4>,1|N<4>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6]PdH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.5620	0.000	1	108.5620	0.000	1	109.0002	0.149	42	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:P[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]P[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]HH)(P[6]C[6]SeC)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]P[6]H)(C[6]C[6]HH)(H)2{1|Se<1>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(P[6]C[6]SeC)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.5925	0.053	2	108.5925	0.003	2	108.5925	0.003	2	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.9915	0.127	4	108.9915	0.016	4	109.3851	1.246	62	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6]B[6a]B[5]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|B<3>,3|C<4>,3|H<1>}	C[6,6](C[6]B[6a]B[5]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<4>,2|N<3>,2|O<2>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.0810	0.017	2	109.0810	0.000	2	109.3851	1.246	62	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[3,6,6]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6]C[3,6,6]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2795	0.070	4	109.2795	0.005	4	109.3851	1.246	62	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[3,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6]C[3,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1600	0.035	2	109.1600	0.001	2	109.3851	1.246	62	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[3]O[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6]C[3]O[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0285	0.061	4	109.0285	0.004	4	109.3851	1.246	62	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9720	0.035	2	108.9720	0.001	2	109.3851	1.246	62	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]N)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]N)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1990	0.025	2	109.1990	0.001	2	109.3851	1.246	62	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]N[6]O[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]N[6]O[6]H)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.7940	0.000	1	109.7940	0.000	1	109.3851	1.246	62	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.9235	0.008	2	109.2671	0.202	7	109.3851	1.246	62	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0046	0.030	5	109.2671	0.202	7	109.3851	1.246	62	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0675	0.029	2	109.0675	0.001	2	109.3851	1.246	62	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6a]HH)(C[6,6]O[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]O[6]2C)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.6880	0.000	1	109.6880	0.000	1	109.3851	1.246	62	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3155	0.011	2	109.3155	0.000	2	109.3851	1.246	62	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	C[6,6](C[6]C[6a]O[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6]C[6a]O[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	110.0360	2.461	2	110.0360	6.055	2	109.3851	1.246	62	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	107.0520	1.888	4	107.0520	3.566	4	109.3851	1.246	62	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0607	0.170	4	109.0607	0.029	4	109.3851	1.246	62	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6]C[6a]N[6]H)(C[6,6]O[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<2>,2|O<2>,3|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]O[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.9215	0.030	2	109.9215	0.001	2	109.3851	1.246	62	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|N<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0860	0.247	2	109.0860	0.061	2	109.3851	1.246	62	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	110.9557	0.043	7	110.9199	0.455	11	109.3851	1.246	62	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|N<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	110.8572	1.226	4	110.9199	0.455	11	109.3851	1.246	62	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.6400	0.025	2	108.6400	0.001	2	109.3851	1.246	62	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3995	0.052	2	109.3995	0.003	2	109.3851	1.246	62	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2{3|C<4>,5|H<1>}	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){2|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3675	0.047	2	109.3675	0.002	2	109.3675	0.002	2	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.5165	0.036	2	108.5165	0.001	2	108.9377	0.117	9	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]HH)2(H){5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8240	0.024	2	108.8240	0.001	2	108.9377	0.117	9	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]HH)2(H){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.6040	0.000	1	109.1516	0.081	5	108.9377	0.117	9	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]HH)2(H){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1690	0.018	2	109.1516	0.081	5	108.9377	0.117	9	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]HH)2(H){5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9080	0.041	2	109.1516	0.081	5	108.9377	0.117	9	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6,6](N[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|S<2>,2|H<1>,5|C<4>}	C[6,6](N[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.7600	0.007	2	108.8067	0.003	4	108.8198	0.788	25	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6,6](N[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{2|H<1>,6|C<4>}	C[6,6](N[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.8535	0.028	2	108.8067	0.003	4	108.8198	0.788	25	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](N[6,6]C[6]2C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	C[6,6](N[6,6]C[6]2C)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0090	0.065	2	109.0090	0.004	2	108.8198	0.788	25	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0990	0.000	1	109.0990	0.000	1	108.8198	0.788	25	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6,6](N[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.5005	0.012	2	109.5005	0.000	2	108.8198	0.788	25	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6,6]CH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6,6](N[6,6]C[6,6]CH)(C[6]C[6]HH)2(H){1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1960	0.033	4	109.1960	0.001	4	108.8198	0.788	25	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2B)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	C[6,6](N[6,6]C[6]2B)(C[6]C[6]HH)2(H){2|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	107.7860	2.619	2	107.7860	6.860	2	108.8198	0.788	25	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2C)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](N[6,6]C[6]2C)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0995	0.012	2	109.0995	0.000	2	108.8198	0.788	25	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.4010	2.192	2	108.7067	2.683	3	108.8198	0.788	25	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.3180	0.000	1	108.7067	2.683	3	108.8198	0.788	25	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HN)(H)2	C[6,6](N[6,6]C[6,6]CH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HN)(H)2{3|C<4>,5|H<1>}	C[6,6](N[6,6]C[6,6]CH)(C[6]C[6]HH)2(H){1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9293	0.047	3	108.9293	0.002	3	108.8198	0.788	25	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2{3|C<4>,5|H<1>}	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	107.8440	0.865	2	107.8440	0.749	2	108.8198	0.788	25	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	P[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](P[6,6]C[6,6]CC)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](P[6,6]C[6,6]CC)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.2228	0.255	8	108.2228	0.065	8	108.1867	0.050	186	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	P[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](P[6,6]C[6,6]C[6]Co)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Co<4>,3|C<4>,4|H<1>}	C[6,6](P[6,6]C[6,6]C[6]Co)(C[6]C[6]HH)2(H){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.2327	0.157	8	108.2327	0.025	8	108.1867	0.050	186	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	P[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](P[6,6]C[6,6]C[6a]Pd)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Pd<4>,1|C<3>,2|C<4>,4|H<1>}	C[6,6](P[6,6]C[6,6]C[6a]Pd)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.0787	0.060	7	108.0787	0.004	7	108.1867	0.050	186	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	P[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](P[6,6]C[6,6]CoC)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Co<4>,3|C<4>,4|H<1>}	C[6,6](P[6,6]C[6,6]CoC)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.2111	0.307	13	108.2111	0.094	13	108.1867	0.050	186	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	P[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](P[6,6]C[6,6]CrN)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Cr<6>,1|N<3>,2|C<4>,4|H<1>}	C[6,6](P[6,6]C[6,6]CrN)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.2006	0.187	20	108.2006	0.035	20	108.1867	0.050	186	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	P[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](P[6,6]C[6,6]NP)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|P<3>,2|C<4>,4|H<1>}	C[6,6](P[6,6]C[6,6]NP)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.1351	0.124	8	108.1351	0.015	8	108.1867	0.050	186	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	P[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](P[6,6]C[6,6]PdC)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Pd<4>,1|C<2>,2|C<4>,4|H<1>}	C[6,6](P[6,6]C[6,6]PdC)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.2270	0.247	26	108.2225	0.035	59	108.1867	0.050	186	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	P[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](P[6,6]C[6,6]PdC)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Pd<4>,3|C<4>,4|H<1>}	C[6,6](P[6,6]C[6,6]PdC)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.2188	0.126	33	108.2225	0.035	59	108.1867	0.050	186	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	P[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](P[6,6]C[6,6]PtC)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Pt<4>,3|C<4>,4|H<1>}	C[6,6](P[6,6]C[6,6]PtC)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.1126	0.400	21	108.1126	0.160	21	108.1867	0.050	186	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	P[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](P[6,6]C[6,6]PtN)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Pt<4>,1|N<3>,2|C<4>,4|H<1>}	C[6,6](P[6,6]C[6,6]PtN)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.1759	0.138	8	108.1759	0.019	8	108.1867	0.050	186	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	P[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](P[6,6]C[6,6]RuC)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ru<8>,3|C<4>,4|H<1>}	C[6,6](P[6,6]C[6,6]RuC)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.1415	0.163	12	108.1703	0.037	28	108.1867	0.050	186	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	P[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](P[6,6]C[6,6]RuC)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ru<9>,3|C<4>,4|H<1>}	C[6,6](P[6,6]C[6,6]RuC)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.1919	0.213	16	108.1703	0.037	28	108.1867	0.050	186	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	P[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](P[6,6]C[6,6]SeC)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Se<1>,3|C<4>,4|H<1>}	C[6,6](P[6,6]C[6,6]SeC)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.1728	0.068	6	108.1728	0.005	6	108.1867	0.050	186	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	Si[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]Si[6]H)(C[6]C[6]CH)(H)2	C[6,6](Si[6]C[6,6a]C[6a]C)(C[6,6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]Si[6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6](Si[6]C[6,6a]C[6a]C)(C[6,6]N[6,6]HH)(C[6]C[6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.0550	0.000	1	109.0550	0.000	1	109.0920	0.003	4	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	Si[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]Si[6]H)(C[6]C[6]HH)(H)2	C[6,6](Si[6]C[6,6a]C[6a]C)(C[6,6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]Si[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6](Si[6]C[6,6a]C[6a]C)(C[6,6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.1043	0.064	3	109.1043	0.004	3	109.0920	0.003	4	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:O-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)(O)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)(O){3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){6|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]O)	108.4620	0.000	2	108.4620	0.000	2	108.4620	0.000	2	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6]C)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6]C)(H)2{1|N<3>,4|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){3|H<1>,6|C<4>}	H(C[6]C[6,6]N[6,6]H)	108.8500	0.054	2	108.8500	0.003	2	108.8500	0.003	2	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6]C)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6]C)(H)2{1|N<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]N[6,6]H)	108.5783	0.099	3	108.5783	0.010	3	108.7606	0.068	5	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6]H)(H)2{1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]N[6,6]H)	109.0340	0.038	2	109.0340	0.001	2	108.7606	0.068	5	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]CH)(H)2	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]HH)(C[6]N[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6,6]N[6]H)	109.4155	0.004	2	109.4155	0.000	2	109.4918	0.006	6	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]CH)(H)2	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]N[6]HH)2(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]CH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]N[6]HH)2(H){6|C<4>,6|H<1>}	H(C[6]C[6,6]N[6]H)	109.5300	0.059	4	109.5300	0.003	4	109.4918	0.006	6	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CC)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]N[6]HH)(H){1|H<1>,5|C<4>}	H(C[6]C[6,6]N[6]H)	108.3637	0.073	4	108.3637	0.005	4	109.2145	0.351	87	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CC)(H)2{1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H){1|H<1>,5|C<4>}	H(C[6]C[6,6]N[6]H)	108.0497	0.020	3	108.0497	0.000	3	109.2145	0.351	87	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CH)(H)2{1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H){2|H<1>,4|C<4>}	H(C[6]C[6,6]N[6]H)	109.2895	0.044	4	109.2895	0.002	4	109.2145	0.351	87	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]HH)(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]N[6]H)	108.8780	0.062	3	108.8780	0.004	3	109.2145	0.351	87	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CuC)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CuC)(H)2{1|C<4>,1|N<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H){1|Cu<4>,1|H<1>,4|C<4>}	H(C[6]C[6,6]N[6]H)	109.0005	0.040	4	109.0005	0.002	4	109.2145	0.351	87	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]HH)(H)2{1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]N[6]H)	109.1873	0.061	4	109.1873	0.004	4	109.2145	0.351	87	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6a]HH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]HH)(H)2{1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6a]HH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]N[6]H)	109.3259	0.827	32	109.3259	0.684	32	109.2145	0.351	87	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]PtH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]PtH)(H)2{1|C<4>,1|N<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H){1|Pt<4>,2|C<4>,3|H<1>}	H(C[6]C[6,6]N[6]H)	109.3663	0.093	33	109.3663	0.009	33	109.2145	0.351	87	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]HH)(H)2	C[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2H)(C[6]N[6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2H)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]N[6]H)	109.2975	0.063	2	109.2975	0.004	2	109.2975	0.004	2	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:P[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(P[6]C[6]IrC)(H)2	C[6,6](C[6,6]C[6]2Ir)(C[6]C[6]HH)(C[6]P[6]HH)(H)	H(C[6]C[6,6]P[6]H)	C[6](C[6,6]C[6,6]C[6]H)(P[6]C[6]IrC)(H)2{2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2Ir)(C[6]C[6]HH)(C[6]P[6]HH)(H){4|C<4>,4|H<1>}	H(C[6]C[6,6]P[6]H)	110.1325	0.108	8	110.2115	0.037	10	110.2115	0.037	10	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:P[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(P[6]C[6]IrC)(H)2	C[6,6](C[6,6]C[6]2Ir)(C[6]C[6]HH)(C[6]P[6]HH)(H)	H(C[6]C[6,6]P[6]H)	C[6](C[6,6]C[6,6]C[6]H)(P[6]C[6]IrC)(H)2{2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2Ir)(C[6]C[6]HH)(C[6]P[6]HH)(H){4|C<4>,5|H<1>}	H(C[6]C[6,6]P[6]H)	110.5275	0.053	2	110.2115	0.037	10	110.2115	0.037	10	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:S[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6]OO)(H)2	C[6,6](C[6,6]C[6,6]CO)(C[6]N[6]HH)(C[6]S[6]HH)(H)	H(C[6]C[6,6]S[6]H)	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6]OO)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]CO)(C[6]N[6]HH)(C[6]S[6]HH)(H){1|H<1>,2|O<1>,3|C<4>}	H(C[6]C[6,6]S[6]H)	107.9095	0.191	4	107.9095	0.036	4	107.9941	0.054	8	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:S[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6]OO)(H)2	C[6,6](C[6,6]C[6,6]HN)(C[6]N[6]HH)(C[6]S[6]HH)(H)	H(C[6]C[6,6]S[6]H)	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6]OO)(H)2{1|C<4>,2|N<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]HN)(C[6]N[6]HH)(C[6]S[6]HH)(H){1|H<1>,2|O<1>,3|C<4>}	H(C[6]C[6,6]S[6]H)	107.8665	0.180	2	107.8665	0.033	2	107.9941	0.054	8	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:S[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6]OO)(H)2	C[6,6](C[6,6]C[6,6]HO)(C[6]N[6]HH)(C[6]S[6]HH)(H)	H(C[6]C[6,6]S[6]H)	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6]OO)(H)2{1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]N[6]HH)(C[6]S[6]HH)(H){1|H<1>,2|O<1>,3|C<4>}	H(C[6]C[6,6]S[6]H)	108.2910	0.024	2	108.2910	0.001	2	107.9941	0.054	8	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	N[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]O[5,6]C)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)	H(C[6]C[6,6]N[5,6]H)	C[6](N[5,6]C[5,6]O[5,6]C)(C[6,6]C[6,6]C[6]H)(H)2{4|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6,6]HH)(C[6]N[5,6]HH)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6,6]N[5,6]H)	108.6140	0.006	2	108.6140	0.000	2	108.6140	0.000	2	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	N[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]Cu)(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6]Cu)(C[6,6]C[6,6]2H)(H)2{1|N<4>,4|C<4>,6|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Cu<4>,3|H<1>,5|C<4>}	H(C[6]C[6,6]N[6,6]H)	109.1742	1.282	12	108.8085	1.189	20	109.2477	2.486	142	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	N[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]Cu)(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6]Cu)(C[6,6]C[6,6]2H)(H)2{1|N<4>,4|C<4>,6|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Cu<5>,3|H<1>,5|C<4>}	H(C[6]C[6,6]N[6,6]H)	108.2600	0.266	8	108.8085	1.189	20	109.2477	2.486	142	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	N[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|N<4>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]N[6,6]H)	110.7235	3.696	2	110.7235	13.661	2	109.2477	2.486	142	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	N[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2{1|N<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){4|H<1>,5|C<4>}	H(C[6]C[6,6]N[6,6]H)	109.4392	0.135	9	109.3093	0.043	15	109.2477	2.486	142	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	N[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2{1|N<4>,4|C<4>,6|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){5|C<4>,5|H<1>}	H(C[6]C[6,6]N[6,6]H)	109.1145	0.120	6	109.3093	0.043	15	109.2477	2.486	142	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	N[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]Hg)(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6]Hg)(C[6,6]C[6,6]2H)(H)2{1|N<4>,4|C<4>,6|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Hg<4>,3|H<1>,5|C<4>}	H(C[6]C[6,6]N[6,6]H)	108.6955	0.032	2	108.6955	0.001	2	109.2477	2.486	142	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	N[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]Li)(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6]Li)(C[6,6]C[6,6]2H)(H)2{1|N<4>,4|C<4>,6|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Li<4>,3|H<1>,5|C<4>}	H(C[6]C[6,6]N[6,6]H)	108.6204	0.374	30	108.6204	0.140	30	109.2477	2.486	142	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	N[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]Ni)(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6]Ni)(C[6,6]C[6,6]2H)(H)2{1|N<4>,4|C<4>,6|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Ni<4>,3|H<1>,5|C<4>}	H(C[6]C[6,6]N[6,6]H)	108.9382	0.137	4	108.9382	0.019	4	109.2477	2.486	142	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	N[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]Pd)(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6]Pd)(C[6,6]C[6,6]2H)(H)2{1|N<4>,4|C<4>,6|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Pd<4>,3|H<1>,5|C<4>}	H(C[6]C[6,6]N[6,6]H)	109.8958	2.243	53	109.8958	5.031	53	109.2477	2.486	142	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	N[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]Rh)(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6]Rh)(C[6,6]C[6,6]2H)(H)2{1|N<4>,4|C<4>,6|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Rh<6>,3|H<1>,5|C<4>}	H(C[6]C[6,6]N[6,6]H)	108.5877	0.050	3	108.5877	0.003	3	109.2477	2.486	142	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	N[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]Zn)(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6]Zn)(C[6,6]C[6,6]2H)(H)2{1|N<4>,4|C<4>,6|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|Zn<4>,3|H<1>,5|C<4>}	H(C[6]C[6,6]N[6,6]H)	108.7635	0.140	13	108.7635	0.020	13	109.2477	2.486	142	109.0712	0.729	8893	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6,6]C[6,6]C[6]O)(H)2	C[6,6](C[6]C[5,5,6,6]HH)(C[6,6]C[6]2C)(C[6]C[6]HO)(OH)	H(C[6]C[5,5,6,6]C[6,6]H)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6,6]C[6,6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,7|C<4>}	C[6,6](C[6]C[5,5,6,6]HH)(C[6,6]C[6]2C)(C[6]C[6]HO)(OH){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,5,6,6]C[6,6]H)	109.6830	0.007	2	109.6830	0.000	2	109.6830	0.000	2	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]O)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(OH)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]O)(H)2{1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(OH){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[5,6]C[6,6]H)	108.9530	0.080	4	108.9530	0.006	4	108.9536	0.005	5	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]O)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(OH)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	H(C[6]C[5,6]C[6,6]H)	108.9560	0.000	1	108.9560	0.000	1	108.9536	0.005	5	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[5,6]C[5,5,6]O[5]H)(H)2	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[5,6]HH)(OH)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[5,6]C[5,5,6]O[5]H)(H)2{1|O<2>,2|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[5,6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	H(C[6]C[5,6]C[6,6]H)	108.4087	0.053	8	108.4087	0.003	8	108.4087	0.003	8	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]N[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2N)(C[6]C[5,6]CC)(C[6]C[6,6]HH)(OH)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]N[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>,6|C<4>}	C[6,6](C[6,6]C[6]2N)(C[6]C[5,6]CC)(C[6]C[6,6]HH)(OH){1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]2H)	109.1890	0.013	2	109.1890	0.000	2	108.6027	2.136	30	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]N[6,6]C[6]S)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(C[6]C[6]ClH)(OH)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]N[6,6]C[6]S)(H)2{1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(C[6]C[6]ClH)(OH){1|N<3>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]2H)	108.6035	0.040	2	108.6035	0.002	2	108.6027	2.136	30	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)2(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HH)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]O)2(H)2{2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HH)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]2H)	108.5367	1.667	23	108.5576	2.448	26	108.6027	2.136	30	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)2(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HH)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]O)2(H)2{2|O<2>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HH)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]2H)	108.7180	0.018	3	108.5576	2.448	26	108.6027	2.136	30	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O[6])(H)2	C[6,6](C[6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(O[6]C[6])	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O[6])(H)2{1|C<3>,1|N<3>,4|C<4>,6|H<1>}	C[6,6](C[6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(O[6]C[6]){1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6,6]2H)	108.7810	0.000	1	108.7810	0.000	1	108.7810	0.000	1	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:Br-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(Br)(H)	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]BrH)(C[6]N[6]HH)(OH)	H(C[6]C[6,6]C[6]Br)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(Br)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]BrH)(C[6]N[6]HH)(OH){1|S<4>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]Br)	107.3860	0.000	1	107.3860	0.000	1	107.3860	0.000	1	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(Cl)(H)	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]ClH)(C[6]N[6]HH)(OH)	H(C[6]C[6,6]C[6]Cl)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(Cl)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]ClH)(C[6]N[6]HH)(OH){1|S<4>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]Cl)	107.3850	0.000	1	107.3850	0.000	1	107.3850	0.000	1	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(Cl)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]Cl)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(Cl)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]Cl)	106.9737	0.463	3	106.9737	0.215	3	106.9737	0.215	3	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-2:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(HNi)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(HNi){2|C<3>,2|C<4>,2|N<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.5355	0.207	4	108.5355	0.043	4	108.5355	0.043	4	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(OH){3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9590	0.020	2	108.9590	0.000	2	108.9503	1.411	6	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HN)(H)2	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]HO)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>,3|O<2>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]HO)(C[6]C[6]HH)(OH){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1290	0.096	2	109.1290	0.009	2	108.9503	1.411	6	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HO)(H)2	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.7630	2.629	2	108.7630	6.912	2	108.9503	1.411	6	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]N)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(NN)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]N)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(NN){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1790	0.047	2	109.1432	0.003	4	109.1432	0.003	4	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]N)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(NN)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]N)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(NN){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1075	0.023	2	109.1432	0.003	4	109.1432	0.003	4	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)2(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)2(OH){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.4110	0.011	2	108.4110	0.000	2	108.8715	0.150	6	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2695	0.028	2	109.2695	0.001	2	108.8715	0.150	6	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|N<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9340	0.013	2	108.9340	0.000	2	108.8715	0.150	6	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[5,6]HH)(H)2{8|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH){11|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8705	0.030	2	108.8705	0.001	2	108.8705	0.001	2	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CH)(H)2	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)2(CN)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)2(CN){2|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.3205	0.056	2	108.3205	0.003	2	108.3203	0.002	3	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)2(CN)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)2(CN){2|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.3200	0.000	1	108.3200	0.000	1	108.3203	0.002	3	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6,6]HH)(H)2	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)2(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)2(OH){3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0215	0.083	4	109.0215	0.007	4	109.2534	0.152	24	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)2(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)2(OH){1|O<1>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7350	0.043	3	108.7350	0.002	3	109.2534	0.152	24	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)2(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)2(OH){1|O<1>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0763	0.037	3	109.0763	0.001	3	109.2534	0.152	24	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(OC)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(OC){4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.9095	0.068	4	109.9095	0.005	4	109.2534	0.152	24	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0665	0.164	4	109.0665	0.027	4	109.2534	0.152	24	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.6875	0.006	2	109.6875	0.000	2	109.2534	0.152	24	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)2(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)2(OH){3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3205	0.034	4	109.3205	0.001	4	109.2534	0.152	24	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(H)2	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OC)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OC){1|N<3>,3|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	107.5190	0.000	1	107.5190	0.000	1	107.7769	0.057	15	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(H)2	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	107.8730	0.006	2	107.8128	0.064	12	107.7769	0.057	15	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(H)2	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH){1|N<3>,3|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	107.8650	0.040	2	107.8128	0.064	12	107.7769	0.057	15	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(H)2	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(H)2{3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	107.7848	0.313	8	107.8128	0.064	12	107.7769	0.057	15	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(H)2	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2O)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2O)(C[6]C[6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	107.6905	0.008	2	107.6905	0.000	2	107.7769	0.057	15	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[3,5,6]HO)(H)2	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[3,5,6]HO)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(OH){1|O<2>,5|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.2495	0.005	2	109.2495	0.000	2	109.0882	2.468	6	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0885	0.018	2	109.0885	0.000	2	109.0882	2.468	6	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9265	3.498	2	108.9265	12.236	2	109.0882	2.468	6	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6]-4:N[6]-2:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]N[6])(C[6]S[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)2(N[6]C[5,6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6]N[6])(C[6]S[6]HH)(H)2{1|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)2(N[6]C[5,6]){1|C<3>,1|N<3>,1|S<4>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.7608	0.132	4	108.7608	0.017	4	108.7608	0.017	4	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]O)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]O)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.2325	0.040	2	109.2325	0.002	2	109.2325	0.002	2	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(OH){1|O<2>,2|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4495	0.018	2	109.4495	0.000	2	109.2203	0.065	11	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.5070	0.000	1	108.5070	0.000	1	109.2203	0.065	11	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){2|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.2335	0.042	2	109.2035	0.002	4	109.2203	0.065	11	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){1|C<3>,2|O<2>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.1735	0.023	2	109.2035	0.002	4	109.2203	0.065	11	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(OH){1|O<1>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.2835	0.006	2	109.2835	0.000	2	109.2203	0.065	11	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6,6]C[6]3)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6,6]C[6]3)(C[6]C[6]HH)(OH){10|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.3180	0.006	2	109.3180	0.000	2	109.2203	0.065	11	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CN)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CN){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1400	0.238	2	109.1400	0.056	2	109.3023	0.260	7	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CN)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CN){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3672	0.598	5	109.3672	0.358	5	109.3023	0.260	7	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(NC)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(NC){1|N<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9365	0.037	2	108.9365	0.001	2	108.9985	0.006	4	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HN)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(NC)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HN)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(NC){1|N<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0605	0.045	2	109.0605	0.002	2	108.9985	0.006	4	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[3,6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[3,6,6]HH)(H)2{2|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3910	0.007	2	109.3910	0.000	2	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[3,6]HN)(H)2	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)2(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[3,6]HN)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)2(OH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.6055	0.018	2	109.6055	0.000	2	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[4x6]HH)(H)2	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[4x6]HH)(H)2{1|C<3>,7|C<4>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.3572	0.060	4	109.3572	0.004	4	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5]C[6]O)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5]C[6]O)(H)2{1|O<2>,2|H<1>,8|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(OH){1|Br<1>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7125	0.006	2	108.7125	0.000	2	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)2(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)2(OH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6825	0.005	2	108.6825	0.000	2	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2115	0.008	2	109.3118	0.026	6	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.2035	0.009	2	109.3118	0.026	6	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5205	0.015	2	109.3118	0.026	6	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OC)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OC){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2120	0.033	2	109.2120	0.001	2	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9285	0.006	2	108.9896	0.039	16	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9983	0.211	14	108.9896	0.039	16	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0020	0.000	1	109.0020	0.000	1	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3720	0.013	2	109.3720	0.000	2	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]BrH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OSi)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]BrH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OSi){1|Br<1>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4270	0.034	2	109.4270	0.001	2	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]BrH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]BrH)(H)2{3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(OH){1|Br<1>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2347	0.646	7	109.2347	0.417	7	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	107.5940	0.037	2	107.5940	0.001	2	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8090	0.000	1	108.8090	0.000	1	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1760	0.021	2	109.1760	0.000	2	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|Cl<1>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.7378	0.092	5	108.7378	0.008	5	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(OH){1|Br<1>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8935	0.099	8	108.8525	0.060	19	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(OH){1|Cl<1>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.6072	0.361	5	108.8525	0.060	19	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(OH){1|I<1>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0022	0.095	6	108.8525	0.060	19	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(H)2{3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(OH){1|Cl<1>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0722	1.107	6	109.0722	1.225	6	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]HH)(C[6]O[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]HH)(C[6]O[6]HH)(OH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.6220	0.011	2	108.6220	0.000	2	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7482	0.141	5	108.7482	0.020	5	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.3995	0.022	2	109.3995	0.000	2	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9560	0.041	2	108.8690	0.011	4	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.7820	0.021	2	108.8690	0.011	4	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)2(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)2(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9045	0.050	2	108.9045	0.003	2	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0945	0.011	2	109.0945	0.000	2	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4865	0.015	2	109.2700	0.029	6	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1617	0.035	4	109.2700	0.029	6	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|Cl<1>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1525	0.179	4	109.0528	0.028	8	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|Cl<1>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0225	0.009	2	109.0528	0.028	8	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8835	0.025	2	109.0528	0.028	8	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HN)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HN)(OH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9690	0.038	2	108.9690	0.001	2	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OH){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.2465	0.013	2	109.2465	0.000	2	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OO){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0425	0.032	2	109.0425	0.001	2	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OH){1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8725	0.026	2	108.8725	0.001	2	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OSi)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OSi){1|Br<1>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8780	0.027	2	108.8780	0.001	2	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0340	0.000	1	109.0340	0.000	1	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9390	0.969	2	108.9383	0.469	3	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9370	0.000	1	108.9383	0.469	3	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){2|C<4>,2|F<1>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3095	0.069	4	109.3095	0.005	4	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HH)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HH)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2425	0.060	4	109.2425	0.004	4	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.1530	0.027	2	109.1530	0.001	2	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(OH){2|C<4>,2|O<2>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1551	0.079	15	109.1551	0.006	15	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(OH){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0920	0.068	2	109.1622	0.009	5	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(OH){1|O<2>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.2090	0.088	3	109.1622	0.009	5	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2S)(C[6]C[6]HH)2(OC)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|S<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2S)(C[6]C[6]HH)2(OC){2|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.2855	0.063	4	109.2855	0.004	4	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2(OC)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2(OC){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.9795	2.057	2	109.9795	4.231	2	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]P[6,6]HH)(C[6]C[6]HH)2(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,6|H<1>}	C[6,6](C[6,6]P[6,6]HH)(C[6]C[6]HH)2(OH){1|S<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	107.2092	0.844	4	107.2092	0.712	4	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HI)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HI)(H)2{3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(OH){1|I<1>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.6306	0.070	5	109.6306	0.005	5	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|Cl<1>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1533	0.611	6	109.1533	0.373	6	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HN)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|N<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HN)(OH){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4165	0.012	2	109.4165	0.000	2	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2899	0.155	10	109.2899	0.024	10	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OC)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OC){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.3030	0.000	1	108.3030	0.000	1	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6120	0.000	1	108.6798	0.108	14	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.6850	0.341	13	108.6798	0.108	14	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(OH){1|O<2>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.5217	0.139	3	108.9032	0.282	29	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(OH){2|C<4>,2|O<2>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9472	0.543	26	108.9032	0.282	29	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){2|C<4>,3|H<1>,3|O<2>}	H(C[6]C[6,6]C[6]H)	109.0740	0.059	3	109.0740	0.003	3	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]CH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]CH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OH){1|C<3>,1|N<4>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.8040	4.011	2	109.8040	16.086	2	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]O[6]CH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0070	0.027	2	109.0070	0.001	2	109.0193	0.328	242	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(O[6]C[6,6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6,6]HH)(H)2{2|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(O[6]C[6,6]){6|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.4082	0.083	4	108.4082	0.007	4	108.8703	0.091	17	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(O[6]C[6,6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(O[6]C[6,6]){1|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.1005	0.041	4	109.1005	0.002	4	108.8703	0.091	17	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[5,6]HO)(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[5,6]HO)(C[6]C[6]HH)(O[6]C[6]){1|Si<4>,2|C<4>,2|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2390	0.027	2	109.2390	0.001	2	108.8703	0.091	17	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2O[6])(C[6]C[6]HH)2(O[6]C[6,6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2O[6])(C[6]C[6]HH)2(O[6]C[6,6]){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.8748	0.122	4	108.8748	0.015	4	108.8703	0.091	17	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2O[6])(C[6]C[6]HH)2(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2O[6])(C[6]C[6]HH)2(O[6]C[6]){1|O<1>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.9277	0.121	3	108.9277	0.015	3	108.8703	0.091	17	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:S-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]S)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(SN)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]S)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(SN){2|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.9610	0.107	4	108.9610	0.011	4	108.9610	0.011	4	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){1|C<4>,3|C<3>,7|H<1>}	H(C[6]C[6,6]C[6]H)	107.7250	0.591	2	107.7250	0.349	2	107.7250	0.349	2	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[6,6](C[6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(O[6]C[6]){1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.7730	0.000	1	108.7730	0.000	1	108.8870	0.249	51	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6]C[6]HH)3(O[6]O[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2{2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6]C[6]HH)3(O[6]O[6]){2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4700	0.040	2	109.4700	0.002	2	108.8870	0.249	51	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6]C[6]HH)2(C[6]C[6]HO)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]CC)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6]C[6]HH)2(C[6]C[6]HO)(O[6]C[6]){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	107.9603	0.293	4	107.9603	0.086	4	108.8870	0.249	51	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)(H)2	C[6,6](C[6]C[5]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)(H)2{4|H<1>,5|C<4>}	C[6,6](C[6]C[5]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(O[6]C[6]){2|O<2>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.7300	0.021	2	108.7300	0.000	2	108.8870	0.249	51	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[5a,6]HH)(C[6]C[6]HH)2(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6]C[5a,6]HH)(C[6]C[6]HH)2(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0103	0.008	3	109.0103	0.000	3	108.8870	0.249	51	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6a]CH)(C[6]C[6]HH)2(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6]C[6,6a]CH)(C[6]C[6]HH)2(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0088	0.043	4	109.0088	0.002	4	108.8870	0.249	51	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]CH)2(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{4|H<1>,5|C<4>}	C[6,6](C[6]C[6]CH)2(C[6]C[6]HH)(O[6]C[6]){1|N<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9620	0.000	1	108.9620	0.000	1	108.8870	0.249	51	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]HH)2(C[6]C[6]HO)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6]C[6]HH)2(C[6]C[6]HO)(O[6]C[6]){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0573	0.316	3	109.1457	0.043	7	108.8870	0.249	51	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]HH)2(C[6]C[6]HO)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6]C[6]HH)2(C[6]C[6]HO)(O[6]C[6]){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2120	0.081	4	109.1457	0.043	7	108.8870	0.249	51	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]HH)2(C[6]C[6]HS)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|C<4>,5|H<1>}	C[6,6](C[6]C[6]HH)2(C[6]C[6]HS)(O[6]C[6]){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8480	0.135	6	108.8480	0.018	6	108.8870	0.249	51	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]HH)2(C[6]N[6]HH)(O[6]B[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|B<3>,1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[6]C[6]HH)2(C[6]N[6]HH)(O[6]B[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2567	0.027	4	109.2567	0.001	4	108.8870	0.249	51	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]HH)2(C[6]N[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6]C[6]HH)2(C[6]N[6]HH)(O[6]C[6]){1|S<4>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2233	0.231	4	109.2233	0.053	4	108.8870	0.249	51	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]HH)3(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6]C[6]HH)3(O[6]C[6]){1|C<4>,1|N<2>,1|N<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8523	0.036	3	108.8523	0.001	3	108.8870	0.249	51	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]HH)3(O[6]O[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6]C[6]HH)3(O[6]O[6]){2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0358	0.120	4	109.0358	0.014	4	108.8870	0.249	51	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6a]O[6]H)(H)2	C[6,6](C[6]C[6]HH)2(C[6]N[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6a]O[6]H)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6]HH)2(C[6]N[6]HH)(O[6]C[6]){1|C<3>,1|C<4>,1|O<2>,1|S<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.1310	0.068	2	108.1310	0.005	2	108.8870	0.249	51	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]N[6]HH)(H)2	C[6,6](C[6]C[6]HH)3(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6]C[6]HH)3(O[6]C[6]){1|C<4>,1|N<2>,1|N<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5735	0.063	2	109.5735	0.004	2	108.8870	0.249	51	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]O[6]HH)(H)2	C[6,6](C[6]C[6]HH)2(C[6]N[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]O[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6]HH)2(C[6]N[6]HH)(O[6]C[6]){1|C<3>,1|C<4>,1|O<2>,1|S<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	107.5295	0.011	2	107.5295	0.000	2	108.8870	0.249	51	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:S[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2S[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]HH)3(S[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2S[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6]C[6]HH)3(S[6]C[6]){1|C<4>,1|N<2>,1|N<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.6872	1.203	32	108.6872	1.447	32	108.6429	1.113	48	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:S[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2S[6])(C[6]N[6]HH)(H)2	C[6,6](C[6]C[6]HH)3(S[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2S[6])(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6]HH)3(S[6]C[6]){1|C<4>,1|N<2>,1|N<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.4788	0.490	8	108.5544	0.486	16	108.6429	1.113	48	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:S[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2S[6])(C[6]N[6]HH)(H)2	C[6,6](C[6]C[6]HH)3(S[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2S[6])(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6]C[6]HH)3(S[6]C[6]){1|C<4>,1|N<2>,1|N<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.6301	0.887	8	108.5544	0.486	16	108.6429	1.113	48	108.8820	0.571	513	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[6,6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[4x6]HH)(C[6]N[6]HH)(COO)	H(C[6]C[4x6]C[6,6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[6,6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[4x6]HH)(C[6]N[6]HH)(COO){1|H<1>,1|S<4>,3|C<3>,3|C<4>}	H(C[6]C[4x6]C[6,6]H)	108.6335	0.037	2	108.6335	0.001	2	108.6335	0.001	2	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6,6]C[6]3)(H)2	C[6,6](C[6]C[5,6]HH)(C[6]N[6]HH)2(C[6]C[6]O)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[6]O[5]2)(C[6,6]C[6]3)(H)2{1|O<1>,2|N<3>,3|C<4>,6|H<1>}	C[6,6](C[6]C[5,6]HH)(C[6]N[6]HH)2(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6,6]H)	108.1495	0.053	4	108.1495	0.003	4	108.1495	0.003	4	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]2C)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6]HH)(CHO)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]2C)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6]HH)(CHO){1|O<2>,4|C<4>,8|H<1>}	H(C[6]C[6,6]2H)	109.2680	0.017	2	109.2680	0.000	2	109.2680	0.000	2	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(COO){4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9135	0.026	2	108.9135	0.001	2	109.0825	0.165	18	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCO){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5310	0.059	2	109.5008	0.002	6	109.0825	0.165	18	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,5|H<1>}	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCO){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.4857	0.029	4	109.5008	0.002	6	109.0825	0.165	18	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(COO){1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.7710	0.024	2	109.0191	0.038	8	109.0825	0.165	18	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(COO){4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9235	0.021	2	109.0191	0.038	8	109.0825	0.165	18	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(COO){1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1750	0.040	2	109.0191	0.038	8	109.0825	0.165	18	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2(COO){4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2070	0.035	2	109.0191	0.038	8	109.0825	0.165	18	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HO)(H)2	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HO)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCO){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.2500	0.033	2	108.2500	0.001	2	109.0825	0.165	18	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[4x6]C[6]2)(C[6]C[6]CC)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(C[6]O[6]HH)(C[6]C[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4x6]C[6]2)(C[6]C[6]CC)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(C[6]O[6]HH)(C[6]C[6]O){1|O<1>,3|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	107.9065	0.029	2	107.9065	0.001	2	108.3676	0.171	7	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[4x6]C[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(C[6]O[6]HH)(C[6]C[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4x6]C[6]2)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(C[6]O[6]HH)(C[6]C[6]O){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.7160	0.000	1	108.5520	0.107	5	108.3676	0.171	7	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[4x6]C[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(C[6]O[6]HH)(C[6]C[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4x6]C[6]2)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(C[6]O[6]HH)(C[6]C[6]O){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.5110	0.363	4	108.5520	0.107	5	108.3676	0.171	7	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHO){1|C<3>,1|O<2>,5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.8148	0.089	4	108.8148	0.008	4	108.8148	0.008	4	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CHO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|S<2>,4|C<4>}	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CHO){1|S<2>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.3810	2.888	2	108.3810	8.340	2	108.7652	1.812	6	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO){1|C<3>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.6960	0.066	2	108.6960	0.004	2	108.7652	1.812	6	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(COO){1|O<2>,5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.2185	0.029	2	109.2185	0.001	2	108.7652	1.812	6	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]N)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(NOO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]N)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(NOO){2|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.1013	0.149	6	109.1013	0.022	6	109.1013	0.022	6	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(C[6]C[6]O){6|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.4705	0.031	4	108.4705	0.001	4	108.4705	0.001	4	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[5]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O){1|C<3>,5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.3610	0.000	1	108.3610	0.000	1	108.3610	0.000	1	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CHH){1|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	100.8582	3.165	2	100.8582	10.015	2	107.4576	10.425	12	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6,6a]O[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(CCO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>,3|O<2>}	C[6,6](C[6,6]C[6,6,6a]O[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(CCO){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9120	0.000	1	108.9120	0.000	1	107.4576	10.425	12	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(COO){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.7425	0.039	2	108.7133	0.005	6	107.4576	10.425	12	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(COO){1|C<3>,3|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	108.6988	0.083	4	108.7133	0.005	6	107.4576	10.425	12	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(COO){1|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7760	0.024	2	108.7760	0.001	2	107.4576	10.425	12	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CHO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CHO){1|O<2>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.0310	0.000	1	109.0310	0.000	1	107.4576	10.425	12	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(H)2	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]HH)2(CCO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]HH)2(CCO){5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.5134	0.130	8	108.5134	0.017	8	108.9146	0.364	152	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(COO){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3372	0.198	4	109.1733	0.197	50	108.9146	0.364	152	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(COO){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2914	0.336	29	109.1733	0.197	50	108.9146	0.364	152	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(COO){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2458	0.110	5	109.1733	0.197	50	108.9146	0.364	152	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(COO){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2810	0.011	2	109.1733	0.197	50	108.9146	0.364	152	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(COO){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0621	0.069	7	109.1733	0.197	50	108.9146	0.364	152	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(COO){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	107.8797	0.562	3	109.1733	0.197	50	108.9146	0.364	152	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2(COO){3|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0020	0.014	2	109.0020	0.000	2	108.9146	0.364	152	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]O){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.1780	1.630	4	108.1780	2.656	4	108.9146	0.364	152	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]HH)2(CCO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]HH)2(CCO){5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6252	0.093	6	108.6252	0.009	6	108.9146	0.364	152	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(COO){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0835	0.102	10	108.9393	0.123	54	108.9146	0.364	152	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(COO){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7130	0.008	2	108.9393	0.123	54	108.9146	0.364	152	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(COO){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9409	0.435	30	108.9393	0.123	54	108.9146	0.364	152	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(COO){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.7650	0.201	8	108.9393	0.123	54	108.9146	0.364	152	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(COO){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0290	0.182	4	108.9393	0.123	54	108.9146	0.364	152	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)2(COO){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6040	0.000	1	108.5373	0.003	3	108.9146	0.364	152	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)2(COO){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.5040	0.007	2	108.5373	0.003	3	108.9146	0.364	152	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2(COO){3|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7930	0.000	1	108.7930	0.000	1	108.9146	0.364	152	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(CHO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(CHO){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.4490	0.867	4	108.4490	0.752	4	108.9146	0.364	152	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(COO){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9970	0.024	2	108.9714	0.057	9	108.9146	0.364	152	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(COO){2|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.0107	0.019	3	108.9714	0.057	9	108.9146	0.364	152	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(COO){1|N<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.9292	0.383	4	108.9714	0.057	9	108.9146	0.364	152	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(COO){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.2290	0.006	2	109.1730	0.009	3	108.9146	0.364	152	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(COO){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0610	0.000	1	109.1730	0.009	3	108.9146	0.364	152	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CCO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CCO){3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3230	0.021	2	109.3230	0.000	2	108.9146	0.364	152	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	106.0270	1.380	2	106.0270	1.905	2	108.9146	0.364	152	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(COO){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8620	0.037	2	108.8620	0.001	2	108.9146	0.364	152	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(CCH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(CCH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.0860	0.016	2	109.0860	0.000	2	108.9146	0.364	152	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(C[6]O[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(C[6]O[6]O){1|C<3>,2|C<4>,2|F<1>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6792	0.110	4	108.6792	0.012	4	108.7490	0.023	8	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]N[6]HH)(C[6]C[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]N[6]HH)(C[6]C[6]O){5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.6790	0.027	2	108.6790	0.001	2	108.7490	0.023	8	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]O[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]2)(C[6]O[6]HH)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C){1|C<4>,1|N<4>,2|C<3>,2|O<2>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.9585	0.076	2	108.9585	0.006	2	108.7490	0.023	8	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(NCH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(NCH){1|N<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7860	0.000	1	108.7860	0.000	1	109.1634	0.078	5	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(NOO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(NOO){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.1540	0.000	1	109.1540	0.000	1	109.1634	0.078	5	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HN)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(NCH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HN)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(NCH){1|N<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1520	0.023	2	109.1520	0.001	2	109.1634	0.078	5	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(NCH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(NCH){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5730	0.000	1	109.5730	0.000	1	109.1634	0.078	5	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(CCO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(CCO){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4624	0.067	5	109.4624	0.004	5	109.4624	0.004	5	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(H)2	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)2(C[6]C[6]C)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(H)2{1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)2(C[6]C[6]C){2|Br<1>,1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0173	0.023	3	109.0173	0.001	3	108.9990	0.183	63	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]CH)(H)2	C[6,6](C[6]C[6]CO)(C[6]C[6]HH)2(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6]C[6]CO)(C[6]C[6]HH)2(C[6]C[6]H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2770	0.675	2	109.2770	0.455	2	108.9990	0.183	63	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]CO)(H)2	C[6,6](C[6]C[6]HH)3(C[6]N[6]N)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]CO)(H)2{2|C<4>,2|N<3>,6|H<1>}	C[6,6](C[6]C[6]HH)3(C[6]N[6]N){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.6360	0.011	2	108.6360	0.000	2	108.9990	0.183	63	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[5a,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[6]N[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[6]C[5a,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[6]N[6]O){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0560	0.221	4	109.0560	0.049	4	108.9990	0.183	63	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6a]CO)(C[6]C[6]HH)2(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6]C[6,6a]CO)(C[6]C[6]HH)2(C[6]C[6]H){3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.9775	0.121	2	109.9775	0.015	2	108.9990	0.183	63	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)2(C[6]C[6]C)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)2(C[6]C[6]C){2|Br<1>,1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9960	0.120	4	108.8133	0.074	13	108.9990	0.183	63	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)2(C[6]C[6]C)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,6|C<4>}	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)2(C[6]C[6]C){1|Br<1>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7321	0.286	9	108.8133	0.074	13	108.9990	0.183	63	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)2(C[6]C[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)2(C[6]C[6]O){1|Br<1>,1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0170	0.295	4	109.0170	0.087	4	108.9990	0.183	63	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]N[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]N[6]O){2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.6745	0.108	4	109.0276	0.109	14	108.9990	0.183	63	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]N[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]N[6]O){2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.8743	0.107	3	109.0276	0.109	14	108.9990	0.183	63	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]N[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]N[6]O){3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2950	0.219	7	109.0276	0.109	14	108.9990	0.183	63	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]CO)(C[6]C[6]HH)2(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6]C[6]CO)(C[6]C[6]HH)2(C[6]C[6]H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.8945	1.430	2	109.8945	2.046	2	108.9990	0.183	63	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]HH)2(C[6]C[6]HO)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6]C[6]HH)2(C[6]C[6]HO)(C[6]C[6]H){1|Cl<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0005	0.154	4	109.0005	0.024	4	108.9990	0.183	63	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]HH)3(C[6]N[6]N)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,6|H<1>}	C[6,6](C[6]C[6]HH)3(C[6]N[6]N){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0757	0.147	4	109.0757	0.022	4	108.9990	0.183	63	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HO)(H)2	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)2(C[6]C[6]C)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,6|C<4>}	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)2(C[6]C[6]C){1|Br<1>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7513	0.355	9	108.7513	0.126	9	108.9990	0.183	63	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(N[6]C[6]C)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(N[6]C[6]C){1|N<2>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2340	0.025	2	108.7315	0.639	4	109.0615	0.875	21	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(N[6]C[6]C)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(N[6]C[6]C){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.2290	0.952	2	108.7315	0.639	4	109.0615	0.875	21	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(N[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{4|C<4>,6|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(N[6]C[6]H){2|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.9353	0.037	7	108.9353	0.001	7	109.0615	0.875	21	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]HH)2(C[6]N[6]HH)(N[6]C[6]S)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{1|N<3>,1|S<4>,2|C<4>,6|H<1>}	C[6,6](C[6]C[6]HH)2(C[6]N[6]HH)(N[6]C[6]S){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2135	2.199	4	109.2135	4.835	4	109.0615	0.875	21	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]O[6]HH)(H)2	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(N[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]O[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3275	0.043	6	109.3275	0.002	6	109.0615	0.875	21	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:O-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)(O)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)(O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]O)	109.0670	0.000	1	109.0670	0.000	1	109.0670	0.000	1	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]CuC)(H)2	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]CuC)(H)2{1|C<3>,1|C<4>,1|N<4>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO){1|Cu<5>,1|N<3>,2|C<3>,4|C<4>}	H(C[6]C[6,6]N[6]H)	109.3870	0.032	4	109.3870	0.001	4	109.2307	0.024	44	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]CuC)(H)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]CuC)(H)2{1|C<3>,1|C<4>,1|N<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO){1|Cu<5>,1|N<3>,2|C<3>,4|C<4>}	H(C[6]C[6,6]N[6]H)	109.3130	0.103	8	109.2534	0.025	16	109.2307	0.024	44	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]CuC)(H)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]CuC)(H)2{1|C<3>,1|C<4>,1|N<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO){1|Cu<6>,1|N<3>,2|C<3>,4|C<4>}	H(C[6]C[6,6]N[6]H)	109.1939	0.187	8	109.2534	0.025	16	109.2307	0.024	44	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]FeC)(H)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]FeC)(H)2{1|C<3>,1|C<4>,1|N<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO){1|Fe<6>,1|N<3>,2|C<3>,4|C<4>}	H(C[6]C[6,6]N[6]H)	109.1680	0.210	4	109.1680	0.044	4	109.2307	0.024	44	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]MnC)(H)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]MnC)(H)2{1|C<3>,1|C<4>,1|N<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO){1|Mn<7>,1|N<3>,2|C<3>,4|C<4>}	H(C[6]C[6,6]N[6]H)	109.0160	0.094	4	109.0160	0.009	4	109.2307	0.024	44	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]NiC)(H)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]NiC)(H)2{1|C<3>,1|C<4>,1|N<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO){1|Ni<6>,1|N<3>,2|C<3>,4|C<4>}	H(C[6]C[6,6]N[6]H)	109.2441	0.107	8	109.2215	0.010	12	109.2307	0.024	44	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]NiC)(H)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]NiC)(H)2{1|C<3>,1|C<4>,1|N<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO){1|Ni<7>,1|N<3>,2|C<3>,4|C<4>}	H(C[6]C[6,6]N[6]H)	109.1762	0.074	4	109.2215	0.010	12	109.2307	0.024	44	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]ZnC)(H)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]ZnC)(H)2{1|C<3>,1|C<4>,1|N<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO){1|Zn<6>,1|N<3>,2|C<3>,4|C<4>}	H(C[6]C[6,6]N[6]H)	109.2887	0.139	4	109.2887	0.019	4	109.2307	0.024	44	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2	C[6,6](C[6]C[6,6a]CO)(C[6]C[6]HH)2(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]CO)(C[6]C[6]HH)2(C[6]C[6]H){3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0935	0.021	2	109.0935	0.000	2	108.8080	0.109	4	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2	C[6,6](C[6]C[6,6a]HO)(C[6]C[6]HH)(C[6]C[6]HO)(C[6]C[6]C)	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2{1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6,6](C[6]C[6,6a]HO)(C[6]C[6]HH)(C[6]C[6]HO)(C[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.5225	0.019	2	108.5225	0.000	2	108.8080	0.109	4	108.9173	0.688	369	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	B[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2C[6])(C[6,6]C[6]3)(H)2	C[6,6](C[6]B[6]HH)(C[6]C[6]HH)3	H(C[6]C[6,6]B[6]H)	C[6](B[6]C[6a]2C[6])(C[6,6]C[6]3)(H)2{7|C<3>,7|H<1>}	C[6,6](C[6]B[6]HH)(C[6]C[6]HH)3{1|C<4>,1|P<4>,5|C<3>}	H(C[6]C[6,6]B[6]H)	108.8980	0.041	2	108.8980	0.002	2	108.8980	0.002	2	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]H)(C[6,6]C[6,6]2C)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[3,6]HH)(CH3)	H(C[6]C[3,6]C[6,6]H)	C[6](C[3,6]C[3,6]N[3]H)(C[6,6]C[6,6]2C)(H)2{1|S<4>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[3,6]HH)(CH3){1|N<3>,4|C<4>,8|H<1>}	H(C[6]C[3,6]C[6,6]H)	108.7070	0.025	2	108.7070	0.001	2	108.7070	0.001	2	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[5,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[3x6]C[5,6]C)(H)2	C[6,6](C[3x6]C[3x6]C[6]O)(C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(CH3)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[3x6]C[5,6]C)(H)2{3|O<2>,6|C<4>}	C[6,6](C[3x6]C[3x6]C[6]O)(C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>,4|O<2>}	H(C[6]C[5,6]C[6,6]H)	108.7228	0.094	4	108.7228	0.009	4	108.7228	0.009	4	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]2C)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(CH3)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]2C)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(CH3){2|O<2>,5|H<1>,6|C<4>}	H(C[6]C[5,6]C[6,6]H)	108.2660	0.010	2	108.2660	0.000	2	108.4565	0.049	4	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6,6]C[6,6]2C)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(CH3)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[6]O[5]2)(C[6,6]C[6,6]2C)(H)2{1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(CH3){2|O<2>,4|H<1>,7|C<4>}	H(C[6]C[5,6]C[6,6]H)	108.6470	0.017	2	108.6470	0.000	2	108.4565	0.049	4	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6,6]H)	108.2230	0.007	2	108.1513	0.015	3	108.2512	0.075	21	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[5,6]C[6,6]H)	108.0080	0.000	1	108.1513	0.015	3	108.2512	0.075	21	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6,6]H)	108.1406	0.137	9	108.1406	0.019	9	108.2512	0.075	21	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[5,6]C[6,6]H)	108.1337	0.153	4	108.1722	0.018	6	108.2512	0.075	21	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6,6]H)	108.2490	0.030	2	108.1722	0.018	6	108.2512	0.075	21	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	H(C[6]C[5,6]C[6,6]H)	108.9290	0.000	1	108.9290	0.000	1	108.2512	0.075	21	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6]C[5,6]C[6,6]H)	108.7970	0.013	2	108.7970	0.000	2	108.2512	0.075	21	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]3)(H)2	C[6,6](C[6]C[5,6]HH)2(C[6]C[6]HH)2	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]3)(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6]C[5,6]HH)2(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,6|H<1>}	H(C[6]C[5,6]C[6,6]H)	108.3410	0.035	2	108.3410	0.001	2	108.4310	0.011	4	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]3)(H)2	C[6,6](C[6]C[5,6]HH)2(C[6]C[6]HH)2	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]3)(H)2{3|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6]C[5,6]HH)2(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,6|H<1>}	H(C[6]C[5,6]C[6,6]H)	108.5210	0.008	2	108.5210	0.000	2	108.4310	0.011	4	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	P[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2P[6])(H)2	C[6,6](P[6]C[6,6]C[6a]Pd)(C[6]C[5,6]HH)(C[6]C[6]HH)2	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2P[6])(H)2{1|Pd<4>,1|C<3>,5|C<4>,6|H<1>}	C[6,6](P[6]C[6,6]C[6a]Pd)(C[6]C[5,6]HH)(C[6]C[6]HH)2{2|C<3>,2|O<2>,4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6,6]H)	108.1540	0.149	4	108.1540	0.022	4	108.1540	0.022	4	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:B[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:P-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]P)(B[6]C[6a]2C[6])(H)2	C[6,6](C[6,6]C[3x6]HH)(C[6]B[6]HH)(C[6]C[6]HH)(PC[6a]3)	H(C[6]C[6,6]B[6]H)	C[6](C[6,6]C[6,6]C[6]P)(B[6]C[6a]2C[6])(H)2{1|C<4>,5|C<3>,6|H<1>}	C[6,6](C[6,6]C[3x6]HH)(C[6]B[6]HH)(C[6]C[6]HH)(PC[6a]3){3|C<3>,3|C<4>}	H(C[6]C[6,6]B[6]H)	108.6765	0.040	2	108.6765	0.002	2	108.6765	0.002	2	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[3,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[3,6]C[3]2C[6])(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[3,6]HH)2(CH3)	H(C[6]C[3,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[3,6]C[3]2C[6])(H)2{2|Cl<1>,2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[3,6]HH)2(CH3){1|H<1>,6|C<4>}	H(C[6]C[3,6]C[6,6]H)	108.3363	0.057	4	108.3363	0.003	4	108.3363	0.003	4	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[3,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[3,6]C)(C[6,6]C[5,6,6]C[6]H)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(CCHH)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5,6,6]C[3,6]C)(C[6,6]C[5,6,6]C[6]H)(H)2{1|O<2>,2|N<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(CCHH){1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]2H)	109.5300	0.013	2	109.5300	0.000	2	109.5300	0.000	2	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]2)(H)2	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6,6]HH)(C[6]N[5,6]HH)2	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]2)(H)2{1|O<2>,2|N<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6,6]HH)(C[6]N[5,6]HH)2{1|C<3>,1|H<1>,7|C<4>}	H(C[6]C[6,6]2H)	109.3980	0.000	1	109.4180	0.001	3	109.4180	0.001	3	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]2)(H)2	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6,6]HH)(C[6]N[5,6]HH)2	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]2)(H)2{2|N<3>,2|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6,6]HH)(C[6]N[5,6]HH)2{1|C<3>,1|H<1>,7|C<4>}	H(C[6]C[6,6]2H)	109.4280	0.028	2	109.4180	0.001	3	109.4180	0.001	3	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)2(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]C)2(H)2{1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]2H)	108.4180	0.042	2	108.2982	0.023	4	108.2612	0.018	6	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)2(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]C)2(H)2{3|C<4>,3|O<2>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){4|C<4>,6|H<1>}	H(C[6]C[6,6]2H)	108.1785	0.101	2	108.2982	0.023	4	108.2612	0.018	6	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)2(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(C[6]O[6]HO)(CH3)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]C)2(H)2{3|C<4>,3|O<2>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(C[6]O[6]HO)(CH3){2|H<1>,4|C<4>}	H(C[6]C[6,6]2H)	108.1870	0.078	2	108.1870	0.006	2	108.2612	0.018	6	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:Br-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(Br)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]BrH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]Br)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(Br)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]BrH)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]Br)	107.3870	0.000	1	107.3870	0.000	1	107.3870	0.000	1	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,3x6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,3x6]C[6]2)(C[6]C[6]CC)(H)2	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(C[6]O[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,3x6]C[6]2)(C[6]C[6]CC)(H)2{2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(C[6]O[6]HH){1|C<3>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	107.5190	0.047	2	107.5190	0.002	2	107.5190	0.002	2	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2970	0.023	2	109.2970	0.001	2	109.2970	0.001	2	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1930	0.010	2	109.1876	0.001	5	108.7132	0.280	22	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1840	0.036	3	109.1876	0.001	5	108.7132	0.280	22	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5a]O[6]H)(H)2	C[6,6](C[3,6,6]C[5,6,6]C[3,6]O[3])(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5a]O[6]H)(H)2{2|O<2>,3|C<3>,3|C<4>}	C[6,6](C[3,6,6]C[5,6,6]C[3,6]O[3])(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	107.9450	0.049	2	107.9450	0.002	2	108.7132	0.280	22	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.9810	0.013	2	108.9810	0.000	2	108.7132	0.280	22	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1500	0.044	2	108.6588	0.518	5	108.7132	0.280	22	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	107.8835	0.248	2	108.6588	0.518	5	108.7132	0.280	22	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2270	0.000	1	108.6588	0.518	5	108.7132	0.280	22	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1590	0.000	1	109.0697	0.006	3	108.7132	0.280	22	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.0250	0.023	2	109.0697	0.006	3	108.7132	0.280	22	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.2796	0.032	5	108.2796	0.001	5	108.7132	0.280	22	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	108.7565	0.130	6	108.8962	0.052	14	108.8158	0.091	30	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0010	0.233	8	108.8962	0.052	14	108.8158	0.091	30	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3,6,6]C[3,6]C[5,6]O[3])(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3,6,6]C[3,6]C[5,6]O[3])(C[6]C[6]HH)2(CH3){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.0020	0.028	2	108.2893	0.111	4	108.8158	0.091	30	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3,6,6]C[3,6]C[5,6]O[3])(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[5,6]O[3])(C[6]C[6]HH)2(CH3){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.5765	0.028	2	108.2893	0.111	4	108.8158	0.091	30	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	108.9968	0.106	6	108.9834	0.011	7	108.8158	0.091	30	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	108.9030	0.000	1	108.9834	0.011	7	108.8158	0.091	30	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4480	0.000	1	108.4480	0.000	1	108.8158	0.091	30	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)2(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.7775	0.023	2	108.8597	0.009	4	108.8158	0.091	30	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)2(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9420	0.014	2	108.8597	0.009	4	108.8158	0.091	30	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	107.9248	2.395	4	107.9248	5.734	4	108.3447	3.864	6	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HO)(H)2	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1845	0.046	2	109.1845	0.002	2	108.3447	3.864	6	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9740	0.061	2	108.8975	0.035	38	108.9042	0.027	61	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.0085	0.013	2	108.8975	0.035	38	108.9042	0.027	61	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8471	0.123	13	108.8975	0.035	38	108.9042	0.027	61	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9151	0.246	18	108.8975	0.035	38	108.9042	0.027	61	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.8857	0.088	3	108.8975	0.035	38	108.9042	0.027	61	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9220	0.079	4	108.9220	0.006	4	108.9042	0.027	61	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8275	0.052	2	108.8552	0.003	6	108.9042	0.027	61	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.8690	0.061	4	108.8552	0.003	6	108.9042	0.027	61	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.9812	0.087	6	108.9812	0.008	6	108.9042	0.027	61	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.6810	0.066	2	108.8380	0.034	4	108.9042	0.027	61	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.9950	0.014	2	108.8380	0.034	4	108.9042	0.027	61	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.8490	0.000	1	108.8490	0.000	1	108.9042	0.027	61	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0705	0.030	2	109.0705	0.001	2	108.9042	0.027	61	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[5a]O[6]H)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[5a]O[6]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2700	0.037	2	109.2700	0.001	2	108.8525	0.334	59	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>,3|O<2>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9170	0.000	1	108.9170	0.000	1	108.8525	0.334	59	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6,6]HO)(H)2	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6,6]HO)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	108.4225	0.021	2	108.4225	0.000	2	108.8525	0.334	59	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8610	0.008	2	108.7015	0.034	4	108.8525	0.334	59	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.5420	0.004	2	108.7015	0.034	4	108.8525	0.334	59	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HO)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HO)(CH3){3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9020	0.000	1	108.9020	0.000	1	108.8525	0.334	59	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|Cl<1>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2610	0.044	2	109.2610	0.002	2	108.8525	0.334	59	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2593	0.127	4	109.4862	0.214	14	108.8525	0.334	59	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,2|C<4>,2|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	110.4220	0.676	2	109.4862	0.214	14	108.8525	0.334	59	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1015	0.074	2	109.4862	0.214	14	108.8525	0.334	59	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4615	0.068	4	109.4862	0.214	14	108.8525	0.334	59	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,5|H<1>}	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.4385	0.023	2	109.4862	0.214	14	108.8525	0.334	59	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHO){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1672	0.060	6	109.1672	0.004	6	108.8525	0.334	59	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.7585	0.015	2	108.7585	0.000	2	108.8525	0.334	59	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.3560	0.021	2	108.3560	0.000	2	108.8525	0.334	59	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(CH3){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9030	0.000	1	109.0343	0.013	3	108.8525	0.334	59	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(CH3){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1000	0.004	2	109.0343	0.013	3	108.8525	0.334	59	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)2(CH3){2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.1380	0.000	1	108.8820	0.049	3	108.8525	0.334	59	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)2(CH3){2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.7540	0.020	2	108.8820	0.049	3	108.8525	0.334	59	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]CO)(H)2	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]CO)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.7080	0.638	2	108.7080	0.407	2	108.8525	0.334	59	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]C[6a]H)(H)2	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]C[6a]H)(H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.2147	0.025	4	108.2147	0.001	4	108.8525	0.334	59	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HN)(H)2	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HN)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,2|C<4>,2|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.2540	0.604	2	108.2540	0.365	2	108.8525	0.334	59	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HO)(H)2	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HO)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.3430	0.062	4	108.3430	0.004	4	108.8525	0.334	59	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HO)(H)2	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HO)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHO){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	107.9650	0.221	5	107.9650	0.049	5	108.8525	0.334	59	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[3,6]HH)(H)2	C[6,6](C[4,6,6]C[3,4,6]C[4]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[3,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	C[6,6](C[4,6,6]C[3,4,6]C[4]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3){3|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	108.7220	0.014	2	108.7220	0.000	2	108.7220	0.000	2	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[5,6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[4x6]C)(C[6]C[6]HH)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[4x6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.5620	0.020	2	109.5620	0.000	2	109.5918	0.019	6	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[5,6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[4x6]C)(C[6]C[6]HO)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[4x6]C)(C[6]C[6]HO)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.6068	0.176	4	109.6068	0.031	4	109.5918	0.019	6	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[4x6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4x6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,6|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.7345	0.016	2	108.7345	0.000	2	108.7345	0.000	2	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,3x6]N[5,6,6]N[6,6]C[5])(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|N<3>}	C[6,6](C[5,3x6]N[5,6,6]N[6,6]C[5])(C[6]C[6]HH)2(CCHH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.6335	0.025	2	108.6335	0.001	2	108.8094	0.069	13	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0074	0.170	7	109.0074	0.029	7	108.8094	0.069	13	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,3x6]C[5,6]2C[6,6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	C[6,6](C[5,3x6]C[5,6]2C[6,6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.4455	0.022	2	108.4455	0.000	2	108.8094	0.069	13	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,3x6]N[5,6,6]N[6,6]C[5])(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,4|H<1>}	C[6,6](C[5,3x6]N[5,6,6]N[6,6]C[5])(C[6]C[6]HH)2(CCHH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.6560	0.030	2	108.6560	0.001	2	108.8094	0.069	13	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,5,6,6]C[5,6,6]C[5,5]O[5,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[5,5,6,6]C[5,6,6]C[5,5]O[5,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	107.4805	0.644	2	107.4805	0.415	2	107.4805	0.415	2	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	108.4400	0.021	2	108.9092	0.120	73	108.9092	0.120	73	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|N<3>,3|H<1>}	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH){2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.6585	0.019	2	108.9092	0.120	73	108.9092	0.120	73	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,4|H<1>}	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	108.7945	0.036	2	108.9092	0.120	73	108.9092	0.120	73	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,4|H<1>}	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH){2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.6207	0.099	6	108.9092	0.120	73	108.9092	0.120	73	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>}	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH){1|C<4>,5|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3325	0.025	2	108.9092	0.120	73	108.9092	0.120	73	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>}	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH){1|Cl<1>,2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2080	0.006	2	108.9092	0.120	73	108.9092	0.120	73	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>}	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2350	0.081	9	108.9092	0.120	73	108.9092	0.120	73	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>}	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.4285	0.011	2	108.9092	0.120	73	108.9092	0.120	73	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>}	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH){2|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2915	0.075	16	108.9092	0.120	73	108.9092	0.120	73	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH){1|C<4>,5|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7380	0.000	1	108.9092	0.120	73	108.9092	0.120	73	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH){1|Cl<1>,2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.3500	0.006	2	108.9092	0.120	73	108.9092	0.120	73	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.5878	0.077	12	108.9092	0.120	73	108.9092	0.120	73	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4870	0.017	2	108.9092	0.120	73	108.9092	0.120	73	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH){2|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7446	0.088	13	108.9092	0.120	73	108.9092	0.120	73	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|O<2>,3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0595	0.026	2	109.0595	0.001	2	109.0988	0.002	5	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,4|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.0880	0.000	1	109.0880	0.000	1	109.0988	0.002	5	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|O<2>,3|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1435	0.005	2	109.1435	0.000	2	109.0988	0.002	5	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5,6]C)(C[6]C[5,6,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]N[5,6]O[5])(C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[5,6]C)(C[6]C[5,6,6]HH)(H)2{1|N<3>,2|O<2>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]N[5,6]O[5])(C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.2340	0.040	3	109.2340	0.002	3	109.2340	0.002	3	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){2|O<2>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	107.1257	0.454	7	107.1257	0.206	7	108.5855	0.585	37	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.6387	0.140	3	108.8890	0.052	8	108.5855	0.585	37	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2{1|O<2>,2|C<3>,5|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0387	0.114	3	108.8890	0.052	8	108.5855	0.585	37	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2{1|O<2>,3|C<3>,4|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0400	0.028	2	108.8890	0.052	8	108.5855	0.585	37	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.5670	0.004	2	108.5282	0.002	4	108.5855	0.585	37	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.4895	0.021	2	108.5282	0.002	4	108.5855	0.585	37	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0383	0.091	4	109.0383	0.008	4	108.5855	0.585	37	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[3,5,6,6]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[5,6,6]C[3,5,6,6]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0866	0.040	5	109.0866	0.002	5	108.5855	0.585	37	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8900	0.021	2	108.8900	0.000	2	108.5855	0.585	37	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,5|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.0330	0.004	2	109.0330	0.000	2	108.5855	0.585	37	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,6|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.9103	0.061	3	108.9103	0.004	3	108.5855	0.585	37	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1970	0.035	2	109.1970	0.001	2	108.5855	0.585	37	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.1425	0.033	2	108.4285	0.110	4	108.8048	0.263	109	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7145	0.033	2	108.4285	0.110	4	108.8048	0.263	109	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4785	0.393	8	109.4785	0.154	8	108.8048	0.263	109	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CHHO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CHHO){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.2180	0.020	2	108.1800	0.002	4	108.8048	0.263	109	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CHHO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2{2|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CHHO){1|N<3>,1|O<2>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.1420	0.033	2	108.1800	0.002	4	108.8048	0.263	109	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)2(CH3){1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.6438	0.202	5	108.6438	0.041	5	108.8048	0.263	109	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>,3|O<2>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.4500	0.000	1	108.3990	0.001	5	108.8048	0.263	109	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|H<1>,3|O<2>,4|C<4>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3){4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.3863	0.016	4	108.3990	0.001	5	108.8048	0.263	109	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6a]HH)(H)2	C[6,6](C[5,6,6]C[6,6a]C[5,6]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[5,6,6]C[6,6a]C[5,6]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.9885	0.016	2	108.9885	0.000	2	108.8048	0.263	109	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]ClH)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]ClH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCHH){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9110	0.147	3	108.9110	0.022	3	108.8048	0.263	109	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.3760	0.078	4	109.3760	0.006	4	108.8048	0.263	109	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(CHHO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(CHHO){4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0643	0.161	7	109.0643	0.026	7	108.8048	0.263	109	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2925	0.049	2	109.2925	0.002	2	108.8048	0.263	109	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(C[6]N[6]HH)(CHHO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(C[6]N[6]HH)(CHHO){4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2848	0.065	8	109.2848	0.004	8	108.8048	0.263	109	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2870	0.017	2	108.6138	0.268	14	108.8048	0.263	109	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.6670	0.040	2	108.6138	0.268	14	108.8048	0.263	109	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.4226	0.568	8	108.6138	0.268	14	108.8048	0.263	109	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.6520	0.093	2	108.6138	0.268	14	108.8048	0.263	109	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[3,6]CO)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[3,6]CO)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.2985	0.472	2	108.2985	0.222	2	108.8048	0.263	109	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	107.8685	2.518	2	107.8685	6.340	2	108.8048	0.263	109	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.5255	0.023	2	108.4668	0.005	4	108.8048	0.263	109	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.4080	0.004	2	108.4668	0.005	4	108.8048	0.263	109	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)2(CH3){2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.5453	0.101	3	108.7756	0.058	9	108.8048	0.263	109	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)2(CH3){1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8907	0.201	6	108.7756	0.058	9	108.8048	0.263	109	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]N[5,6]C[5]N[6])(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[6,6](C[5,6,6]N[5,6]C[5]N[6])(C[6]C[6]HH)2(CCHH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.2275	0.013	4	108.4373	0.050	8	108.8048	0.263	109	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]N[5,6]C[5]N[6])(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,4|H<1>}	C[6,6](C[5,6,6]N[5,6]C[5]N[6])(C[6]C[6]HH)2(CCHH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.6470	0.008	4	108.4373	0.050	8	108.8048	0.263	109	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]N[5,6]C[5]O[6])(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[5,6,6]N[5,6]C[5]O[6])(C[6]C[6]HH)2(CCHH){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0475	0.016	4	108.9338	0.016	8	108.8048	0.263	109	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]N[5,6]C[5]O[6])(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6,6](C[5,6,6]N[5,6]C[5]O[6])(C[6]C[6]HH)2(CCHH){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8200	0.039	4	108.9338	0.016	8	108.8048	0.263	109	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]N[5,6]N[6]O[5])(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	C[6,6](C[5,6,6]N[5,6]N[6]O[5])(C[6]C[6]HH)2(CCHH){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8500	0.037	2	108.9450	0.013	4	108.8048	0.263	109	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]N[5,6]N[6]O[5])(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|N<3>,4|H<1>}	C[6,6](C[5,6,6]N[5,6]N[6]O[5])(C[6]C[6]HH)2(CCHH){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0400	0.011	2	108.9450	0.013	4	108.8048	0.263	109	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HI)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HI)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCHH){1|H<1>,1|I<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9513	0.037	4	108.9513	0.001	4	108.8048	0.263	109	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HO)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HO)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.6940	0.004	2	108.6940	0.000	2	108.8048	0.263	109	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2{2|C<3>,3|C<4>,3|O<2>}	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.1220	0.000	1	108.1220	0.000	1	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(CH3){1|O<1>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.1240	0.054	2	108.1240	0.003	2	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6]O[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[6,6](C[5,6]O[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3140	0.000	1	109.3140	0.000	1	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HO)(H)2	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7597	0.076	4	108.7597	0.006	4	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9120	0.109	8	108.9062	0.009	12	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8945	0.066	4	108.9062	0.009	12	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.6590	1.306	4	108.8630	0.207	54	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.2540	0.029	4	108.8630	0.207	54	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.0415	0.009	2	108.8630	0.207	54	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1285	0.013	2	108.8630	0.207	54	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.8717	0.094	42	108.8630	0.207	54	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1380	0.121	4	109.1380	0.015	4	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.6910	0.618	2	108.6910	0.382	2	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,2|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.3505	0.006	2	108.3505	0.000	2	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1927	0.008	3	109.1927	0.000	3	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HO)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HO)(H)2{2|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.6398	0.206	13	108.6398	0.042	13	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]FH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]FH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|F<1>,1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1515	0.052	2	109.1515	0.003	2	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,1|O<2>,5|C<4>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3){1|Br<1>,2|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9720	0.000	1	109.1475	0.044	13	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1622	0.212	12	109.1475	0.044	13	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CHHO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CHHO){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0755	0.063	2	109.0755	0.004	2	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[4,5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[5,6]C[4,5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.0493	0.055	6	109.0493	0.003	6	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0870	0.000	1	109.0870	0.000	1	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,5]C[5,6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,5]C[5,6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0765	0.019	2	109.0765	0.000	2	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9728	0.044	4	108.9056	0.016	7	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|N<3>,2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8160	0.159	3	108.9056	0.016	7	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9410	0.000	1	108.9410	0.000	1	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|Br<1>,2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0970	0.026	3	108.8027	0.137	17	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.1615	0.060	2	108.8027	0.137	17	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.0050	0.023	2	108.8027	0.137	17	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.8780	0.063	4	108.8027	0.137	17	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.4610	0.071	2	108.8027	0.137	17	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.4755	0.015	2	108.8027	0.137	17	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.3185	0.052	2	108.8027	0.137	17	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1333	0.118	4	109.0217	0.037	60	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.1270	0.000	1	109.0217	0.037	60	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,4|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.2575	0.013	2	109.0217	0.037	60	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9304	0.056	8	109.0217	0.037	60	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8580	0.176	4	109.0217	0.037	60	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	108.8255	0.101	4	109.0217	0.037	60	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1775	0.005	2	109.0217	0.037	60	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.9265	0.104	4	109.0217	0.037	60	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.5087	0.027	3	109.0217	0.037	60	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1495	0.069	2	109.0217	0.037	60	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3145	0.081	4	109.0217	0.037	60	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.9905	0.012	2	109.0217	0.037	60	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9815	0.043	2	109.0217	0.037	60	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|B<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0490	0.025	4	109.0217	0.037	60	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1360	0.007	2	109.0217	0.037	60	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1190	0.024	4	109.0217	0.037	60	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|N<3>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1625	0.016	2	109.0217	0.037	60	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1080	0.032	3	109.0217	0.037	60	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0897	0.050	3	109.0217	0.037	60	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9705	0.023	2	108.9705	0.001	2	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7395	0.233	2	108.9840	0.015	23	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0570	0.058	3	108.9840	0.015	23	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0080	0.010	2	108.9840	0.015	23	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.1160	0.044	4	108.9840	0.015	23	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.9547	0.072	10	108.9840	0.015	23	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){7|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.9780	0.011	2	108.9840	0.015	23	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.7003	0.409	3	108.9400	0.192	5	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2995	0.045	2	108.9400	0.192	5	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.3615	0.016	2	108.3615	0.000	2	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H)2	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8603	0.016	3	108.8603	0.000	3	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6a]C[6]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6a]C[6]H)(H)2{1|C<3>,1|N<2>,4|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8580	0.000	1	108.8580	0.000	1	108.9196	0.104	245	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(C[6]O[6]HH){1|C<3>,1|N<3>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.1100	0.000	1	109.1100	0.000	1	108.8307	1.157	6	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)3	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)3{1|N<3>,1|S<2>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9175	0.030	2	108.9175	0.001	2	108.8307	1.157	6	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)2(C[6]C[6]HO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|O<2>,5|H<1>}	C[6,6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)2(C[6]C[6]HO){1|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0040	2.234	2	109.0040	4.993	2	108.8307	1.157	6	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HS)(H)2	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)3	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HS)(H)2{2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)3{1|N<3>,1|S<2>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.0310	0.000	1	108.0310	0.000	1	108.8307	1.157	6	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3595	0.021	2	109.3595	0.000	2	109.0803	0.135	7	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.6500	0.000	1	109.0520	0.268	3	109.0803	0.135	7	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7530	0.006	2	109.0520	0.268	3	109.0803	0.135	7	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2O)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2O)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8435	0.030	2	108.8435	0.001	2	109.0803	0.135	7	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(H)2{2|H<1>,3|C<4>,3|O<2>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CH3){6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7280	0.035	2	108.7280	0.001	2	108.7280	0.001	2	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH){1|C<3>,1|O<1>,2|O<2>,3|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.7610	0.056	4	108.9386	0.023	12	108.9386	0.023	12	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH){1|O<1>,1|O<2>,2|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1115	0.071	2	108.9386	0.023	12	108.9386	0.023	12	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH){1|O<1>,2|C<3>,2|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0118	0.103	4	108.9386	0.023	12	108.9386	0.023	12	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH){1|O<2>,3|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9745	0.005	2	108.9386	0.023	12	108.9386	0.023	12	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[3,6]HH)(H)2	C[6,6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[3,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.8259	0.078	7	108.8259	0.006	7	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[4,6]HH)(H)2	C[6,6](C[6,6]C[4,6]C[6]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[4,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[4,6]C[6]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7400	0.027	2	108.7400	0.001	2	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[4,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[4,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	108.8710	0.072	4	108.8710	0.005	4	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6,6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){5|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.9248	0.085	4	108.8727	0.014	24	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6,6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){5|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.8622	0.124	20	108.8727	0.014	24	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.8000	0.086	4	108.8000	0.007	4	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.7560	0.054	2	108.5609	0.026	45	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){5|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.6307	0.118	6	108.5609	0.026	45	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.8910	0.000	1	108.5609	0.026	45	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){5|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.5317	0.153	28	108.5609	0.026	45	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{2|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.5209	0.159	8	108.5609	0.026	45	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.6662	0.696	6	108.6662	0.484	6	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	108.6590	0.000	1	108.7292	0.006	6	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	108.7965	0.047	2	108.7292	0.006	6	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	108.7077	0.075	3	108.7292	0.006	6	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5a,6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5a,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.6960	0.006	2	108.6960	0.000	2	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6]H)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6820	0.044	2	108.6820	0.002	2	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6]H)(H)2{2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|O<1>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2183	0.217	9	109.1567	0.080	10	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6020	0.000	1	109.1567	0.080	10	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9927	0.051	3	108.8758	0.019	15	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9835	0.112	4	108.8758	0.019	15	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7040	0.025	2	108.8758	0.019	15	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.8028	0.097	6	108.8758	0.019	15	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.7127	0.226	4	108.7299	0.545	205	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.7280	0.365	4	108.7299	0.545	205	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.7295	1.108	2	108.7299	0.545	205	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9675	0.621	8	108.7299	0.545	205	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7334	0.317	41	108.7299	0.545	205	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0545	0.050	2	108.7299	0.545	205	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7730	0.238	6	108.7299	0.545	205	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7133	0.103	4	108.7299	0.545	205	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7125	0.067	2	108.7299	0.545	205	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0427	0.094	7	108.7299	0.545	205	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	101.9005	0.281	2	108.7299	0.545	205	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){5|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.8515	0.019	2	108.7299	0.545	205	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.5715	0.277	4	108.7299	0.545	205	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8343	0.121	29	108.7299	0.545	205	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9765	0.200	4	108.7299	0.545	205	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.7202	0.800	6	108.7299	0.545	205	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9992	0.215	5	108.7299	0.545	205	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9903	0.017	3	108.7299	0.545	205	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.7784	0.116	10	108.7299	0.545	205	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.7718	0.181	60	108.7299	0.545	205	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	109.0210	0.023	2	108.7447	0.102	4	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	108.4685	0.021	2	108.7447	0.102	4	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3){4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.9938	0.171	8	108.9938	0.029	8	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7930	0.004	2	108.5886	0.032	13	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.6430	0.025	3	108.5886	0.032	13	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.5171	0.188	8	108.5886	0.032	13	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|N<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.3665	0.040	2	108.4727	0.081	7	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.8315	0.032	2	108.4727	0.081	7	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4430	0.027	2	108.4727	0.081	7	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.0270	0.000	1	108.4727	0.081	7	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6a]HH)(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.9115	0.025	2	108.9115	0.001	2	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.2805	0.011	2	108.2805	0.000	2	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.5285	0.070	4	108.5285	0.005	4	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]ClH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]ClH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|Cl<1>,1|O<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0200	0.014	2	109.0200	0.000	2	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[3,6,6]C[3,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[3,6,6]C[3,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|O<2>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.9440	0.008	2	108.9440	0.000	2	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|O<2>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.0535	0.015	2	109.0535	0.000	2	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1170	0.004	2	108.8925	0.023	8	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7843	0.050	4	108.8925	0.023	8	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.8845	0.066	2	108.8925	0.023	8	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9405	0.098	4	108.9405	0.010	4	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8945	0.049	2	108.8009	0.020	74	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.9630	0.008	2	108.8009	0.020	74	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6865	0.032	2	108.8009	0.020	74	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7325	0.022	2	108.8009	0.020	74	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.6125	0.227	2	108.8009	0.020	74	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.5970	0.024	2	108.8009	0.020	74	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.6705	0.013	2	108.8009	0.020	74	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.9821	0.130	8	108.8009	0.020	74	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9480	0.040	3	108.8009	0.020	74	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7745	0.111	42	108.8009	0.020	74	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.8177	0.154	7	108.8009	0.020	74	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7470	0.017	2	108.7470	0.000	2	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2660	0.004	2	109.2660	0.000	2	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]2H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]2H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9375	0.011	2	108.9375	0.000	2	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.7160	0.000	1	108.9256	0.018	5	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0290	0.088	2	108.9256	0.018	5	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9270	0.021	2	108.9256	0.018	5	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.6680	0.041	2	108.6680	0.002	2	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]Cr)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Cr<9>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]Cr)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	112.2585	0.267	2	112.2585	0.071	2	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5a]C[6]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5a]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,3|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.8380	0.010	2	108.8380	0.000	2	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2Cl)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2Cl)(C[6]C[6]HH)(CH3){1|Cl<1>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.0570	0.037	2	109.0078	0.004	6	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2Cl)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2Cl)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.9832	0.055	4	109.0078	0.004	6	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0075	0.005	2	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Br<1>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0515	0.008	2	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Br<1>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.0360	0.013	2	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	108.7883	0.264	4	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.8290	0.014	2	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8552	0.200	8	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0564	0.083	16	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7570	0.000	1	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0620	0.106	8	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.9752	0.080	20	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.9055	0.070	6	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9742	0.322	24	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.0031	0.081	7	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|N<2>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.9330	0.025	4	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.9084	0.159	5	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8716	0.077	14	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.9340	0.072	2	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.9310	0.116	7	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1710	0.049	2	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8100	0.047	2	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9633	0.042	4	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0445	0.011	2	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8283	0.052	7	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9481	0.160	30	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.6752	0.995	5	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	108.8157	0.048	6	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.2290	0.086	2	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.8415	0.061	4	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|I<1>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0203	0.052	4	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	109.3235	0.086	2	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9110	0.000	1	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|N<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	108.6840	0.008	2	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	108.6896	0.142	7	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|N<4>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	108.5270	0.006	4	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.2805	0.009	2	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0295	0.009	2	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.9357	0.049	4	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9405	0.105	4	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.0178	0.152	5	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	108.2842	1.777	29	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.9197	0.011	3	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9400	0.103	15	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,9|H<1>}	H(C[6]C[6,6]C[6]H)	109.7425	0.135	2	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|Cl<1>,1|C<3>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.8960	0.092	3	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0583	0.030	3	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6865	0.019	2	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	108.6693	0.760	14	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9265	0.196	14	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	107.7060	3.707	2	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	107.9963	0.562	4	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.8393	0.161	6	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.8808	0.101	4	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.9590	0.013	2	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|Br<1>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.9790	0.006	2	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.7047	0.032	4	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.8077	0.346	4	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	108.8982	0.286	10	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.6408	0.339	6	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9768	0.415	44	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|Cl<1>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.7555	0.257	6	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|N<2>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.8970	0.018	2	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|N<3>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.7075	0.011	2	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8443	0.294	8	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8740	0.011	2	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.8257	0.288	13	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,5|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.9215	0.088	16	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0973	0.114	4	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9395	0.015	2	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|O<2>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.1240	0.000	1	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.6390	0.402	4	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	108.5769	0.896	335	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.1415	0.021	2	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.9085	0.117	79	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|Br<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	108.8845	0.018	2	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0040	0.126	5	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	108.8845	0.036	2	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	108.7755	0.045	2	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9000	0.008	2	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	107.4280	1.937	2	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0510	0.176	18	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	108.4095	0.923	2	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8077	0.167	12	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8143	0.067	4	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8344	0.765	8	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.6310	2.035	3	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	108.8091	0.615	14	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){5|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.0713	0.383	6	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.9995	0.039	2	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.8569	0.149	14	108.7721	0.486	982	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CHHO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CHHO){4|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	108.9470	0.120	5	108.9470	0.014	5	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	108.5750	0.007	2	108.7175	0.049	4	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.0400	0.000	1	108.7175	0.049	4	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	108.6800	0.000	1	108.7175	0.049	4	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.6278	0.172	4	108.8681	0.048	48	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|N<2>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.8525	0.029	2	108.8681	0.048	48	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8360	0.075	4	108.8681	0.048	48	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.8850	0.018	2	108.8681	0.048	48	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1325	0.009	2	108.8681	0.048	48	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.6790	0.020	2	108.8681	0.048	48	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|Cl<1>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.8950	0.149	6	108.8681	0.048	48	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|N<3>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.0240	0.018	2	108.8681	0.048	48	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1280	0.010	2	108.8681	0.048	48	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.0156	0.085	11	108.8681	0.048	48	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	108.7156	0.286	11	108.8681	0.048	48	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CHHO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CHHO){1|O<2>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.8740	0.007	2	108.8740	0.000	2	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.0580	0.839	2	109.0580	0.703	2	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3333	0.122	4	109.3802	0.326	14	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3){5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3990	0.682	10	109.3802	0.326	14	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.0040	0.000	1	109.0040	0.000	1	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>,3|O<2>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9135	0.009	2	108.9135	0.000	2	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2O[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]2O[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0855	0.018	2	109.0558	0.002	6	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2O[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]2O[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){7|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0410	0.050	4	109.0558	0.002	6	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1928	0.167	9	108.9536	0.373	32	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.6760	0.000	1	108.9536	0.373	32	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7767	0.200	4	108.9536	0.373	32	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.2799	1.197	7	108.9536	0.373	32	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.5835	0.011	2	108.9536	0.373	32	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,5|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.7196	0.045	5	108.9536	0.373	32	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|O<2>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.5683	0.063	4	108.9536	0.373	32	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0373	0.051	4	109.0373	0.003	4	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]N[5a]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]N[5a]C[6]H)(H)2{1|C<3>,1|N<2>,1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.9385	0.054	2	108.9385	0.003	2	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]O[6]CH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]O[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|O<1>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.4280	0.037	2	109.4280	0.001	2	108.7881	0.412	1593	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(H)2	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2705	0.011	2	109.2705	0.000	2	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(H)2	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.2325	0.012	2	108.2325	0.000	2	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3a]C[6]H)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3a]C[6]H)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.6270	0.014	2	108.6270	0.000	2	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6,6]HH)(H)2{1|H<1>,3|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7245	0.032	2	108.7245	0.001	2	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6830	0.028	2	108.6830	0.001	2	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.5000	0.004	2	108.5000	0.000	2	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.6190	6.896	2	108.6677	15.854	4	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.7165	0.032	2	108.6677	15.854	4	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.2785	0.069	4	108.2785	0.005	4	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.2510	2.230	2	108.2510	4.974	2	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H)2	C[6,6](C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)2(CH3){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9070	0.011	2	108.9070	0.000	2	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(H)2	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6]C[6]HH)2(CCHH){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	107.7720	2.245	4	107.7720	5.038	4	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.7288	0.126	6	108.7288	0.016	6	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.7750	0.000	1	108.7750	0.000	1	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.7755	0.063	2	108.7755	0.004	2	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0765	0.006	2	109.0765	0.000	2	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.6822	0.176	4	108.6822	0.031	4	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.7142	0.436	16	108.7698	0.113	48	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.3290	0.785	2	108.7698	0.113	48	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|N<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8460	0.021	2	108.7698	0.113	48	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0770	0.000	1	108.7698	0.113	48	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1338	0.055	6	108.7698	0.113	48	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.4840	0.158	3	108.7698	0.113	48	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.5990	0.014	2	108.7698	0.113	48	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.7936	0.106	12	108.7698	0.113	48	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8425	0.030	2	108.7698	0.113	48	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7185	0.071	2	108.7698	0.113	48	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6085	0.012	2	108.6085	0.000	2	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(CH3){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0900	0.031	2	109.0900	0.001	2	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2540	0.089	4	109.2540	0.008	4	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(CH3){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2862	0.086	5	109.2862	0.007	5	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8675	0.012	2	108.8250	0.003	5	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7967	0.062	3	108.8250	0.003	5	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0626	0.088	42	109.1178	0.665	60	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	110.1773	1.475	4	109.1178	0.665	60	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.3640	0.011	2	109.1178	0.665	60	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1625	0.036	2	109.1178	0.665	60	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9780	0.035	2	109.1178	0.665	60	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.0380	0.008	2	109.1178	0.665	60	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.0433	0.255	4	109.1178	0.665	60	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	112.2355	0.149	2	109.1178	0.665	60	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CHHO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CHHO){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8570	0.000	1	108.8570	0.000	1	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>,3|O<2>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4160	0.035	2	109.4160	0.001	2	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8675	0.060	2	108.8675	0.004	2	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.5940	0.000	1	108.5940	0.000	1	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	108.5725	0.016	2	108.5725	0.000	2	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]2C)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]2C)(H)2{3|C<4>,3|O<2>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	107.9140	0.013	2	107.9140	0.000	2	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.3473	0.089	4	108.9727	0.342	6	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.2235	0.025	2	108.9727	0.342	6	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)2(CH3){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	107.6730	0.212	2	107.6730	0.045	2	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|Br<1>,1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7120	0.134	4	108.7120	0.018	4	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0565	0.005	2	109.0565	0.000	2	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0360	0.041	2	109.0360	0.002	2	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7985	0.015	2	108.7985	0.000	2	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)2(CH3){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7205	0.056	2	108.7205	0.003	2	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6]C[6]HH)2(CCHH){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8285	0.734	4	108.8285	0.539	4	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7235	0.034	4	108.7235	0.001	4	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.1658	0.833	6	108.6338	2.352	62	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.4624	0.075	8	108.6338	2.352	62	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8820	0.105	6	108.6338	2.352	62	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.5375	0.025	2	108.6338	2.352	62	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.5897	0.116	35	108.6338	2.352	62	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0880	0.000	1	108.6338	2.352	62	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.6262	6.666	4	108.6338	2.352	62	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1010	0.096	2	109.1010	0.009	2	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.6990	0.007	2	108.6990	0.000	2	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(CH3){1|C<3>,1|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.1795	0.186	4	108.3417	0.326	8	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(CH3){1|C<3>,1|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.5040	0.809	4	108.3417	0.326	8	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9265	0.040	2	108.9265	0.002	2	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9370	0.027	2	109.0083	0.007	4	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0795	0.019	2	109.0083	0.007	4	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.5205	0.005	2	108.7428	0.066	4	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9650	0.006	2	108.7428	0.066	4	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0360	0.028	2	109.0360	0.001	2	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1130	0.000	1	108.8576	0.267	92	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0125	0.025	2	108.8576	0.267	92	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.7958	0.197	10	108.8576	0.267	92	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9215	2.300	2	108.8576	0.267	92	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.2278	1.578	6	108.8576	0.267	92	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<1>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.6760	0.078	2	108.8576	0.267	92	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1685	0.095	4	108.8576	0.267	92	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.7943	0.109	10	108.8576	0.267	92	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1570	0.010	2	108.8576	0.267	92	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.7940	0.024	2	108.8576	0.267	92	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9510	0.038	2	108.8576	0.267	92	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6560	0.016	2	108.8576	0.267	92	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8415	0.047	2	108.8576	0.267	92	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0090	0.075	4	108.8576	0.267	92	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9835	0.029	2	108.8576	0.267	92	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9487	0.034	3	108.8576	0.267	92	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.4615	1.319	2	108.8576	0.267	92	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9465	0.043	2	108.8576	0.267	92	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9444	0.094	26	108.8576	0.267	92	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){4|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.9338	0.108	6	108.8576	0.267	92	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){1|O<1>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.5205	0.008	2	109.0049	0.109	17	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){1|O<1>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.6650	0.027	2	109.0049	0.109	17	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1016	0.091	5	109.0049	0.109	17	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0640	0.057	3	109.0049	0.109	17	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2026	0.434	5	109.0049	0.109	17	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6725	0.051	4	108.8762	0.063	12	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7400	0.000	1	108.8762	0.063	12	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0283	0.084	3	108.8762	0.063	12	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7035	0.021	2	108.8762	0.063	12	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2965	0.006	2	108.8762	0.063	12	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CHHO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CHHO){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4220	0.006	2	108.4220	0.000	2	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HS)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HS)(CH3){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9437	0.039	3	108.9437	0.002	3	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CCCH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CCCH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9767	0.091	4	108.9767	0.008	4	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CCHH){1|C<3>,1|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.6745	0.004	2	108.5998	0.008	4	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CCHH){1|C<3>,1|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.5250	0.027	2	108.5998	0.008	4	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.7095	0.904	2	108.9158	0.164	109	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2797	1.858	4	108.9158	0.164	109	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1727	0.060	10	108.9158	0.164	109	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7053	0.138	4	108.9158	0.164	109	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8427	0.163	4	108.9158	0.164	109	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.3990	0.502	4	108.9158	0.164	109	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7985	0.157	4	108.9158	0.164	109	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9526	0.084	5	108.9158	0.164	109	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9830	0.020	2	108.9158	0.164	109	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0365	0.307	4	108.9158	0.164	109	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9153	0.037	3	108.9158	0.164	109	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9815	0.092	11	108.9158	0.164	109	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.4314	0.259	5	108.9158	0.164	109	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9113	0.148	13	108.9158	0.164	109	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0580	0.035	2	108.9158	0.164	109	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0520	0.049	2	108.9158	0.164	109	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.9716	0.075	15	108.9158	0.164	109	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.6170	0.031	2	108.9158	0.164	109	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.9170	0.006	2	108.9158	0.164	109	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9352	0.182	11	108.9158	0.164	109	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8010	0.024	2	108.8888	0.009	5	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9473	0.065	3	108.8888	0.009	5	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]BrH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]BrH)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3785	0.006	2	109.3785	0.000	2	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8492	0.025	4	108.8542	0.001	6	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8640	0.018	2	108.8542	0.001	6	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0300	0.017	3	108.9612	0.009	5	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){2|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.8580	0.020	2	108.9612	0.009	5	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CCHH){1|C<3>,1|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.4780	0.024	2	108.7070	0.070	4	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CCHH){1|C<3>,1|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.9360	0.006	2	108.7070	0.070	4	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CH3){1|C<3>,1|C<4>,1|N<2>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7452	0.055	4	108.8456	0.028	20	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CH3){1|C<3>,1|C<4>,1|N<2>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8615	0.112	4	108.8456	0.028	20	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7990	0.170	6	108.8456	0.028	20	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7550	0.044	2	108.8456	0.028	20	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2085	0.036	2	108.8456	0.028	20	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8820	0.081	2	108.8456	0.028	20	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8435	0.045	2	108.8514	0.069	11	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9166	0.102	5	108.8514	0.069	11	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<4>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.3875	0.035	2	108.8514	0.069	11	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.1600	0.007	2	108.8514	0.069	11	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CH3){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.9305	0.011	2	109.1398	0.058	4	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CH3){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.3490	0.013	2	109.1398	0.058	4	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(CHHN)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|O<2>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(CHHN){2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0230	0.000	1	109.0230	0.000	1	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2(CH3){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.6630	1.273	2	108.9335	3.713	4	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2(CH3){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2040	3.038	2	108.9335	3.713	4	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(C[6]C[6]HH)(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,6|H<1>}	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(C[6]C[6]HH)(CCHH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8632	0.025	4	108.8632	0.001	4	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9990	0.037	2	108.9990	0.001	2	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9650	0.044	2	109.4120	0.452	8	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.5610	0.726	6	109.4120	0.452	8	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]CO)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]CO)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.6570	0.129	2	108.6570	0.017	2	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]HO)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]HO)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.5260	0.157	6	108.5260	0.025	6	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]O[6]HH)(H)2	C[6,6](C[6,6]C[6,6]BrH)(C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]O[6]HH)(H)2{1|Br<1>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]BrH)(C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>,1|S<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.6670	0.020	2	108.6670	0.000	2	108.8477	0.572	622	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(C[6]O[6]HH){2|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0410	0.016	2	109.0410	0.000	2	108.8798	0.023	6	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(H)2{2|C<4>,3|O<2>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH)2{4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8885	0.013	2	108.8885	0.000	2	108.8798	0.023	6	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(C[6]O[6]HH){2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.7100	0.064	2	108.7100	0.004	2	108.8798	0.023	6	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.6200	0.035	2	108.6200	0.001	2	108.7077	0.010	6	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8305	0.037	2	108.8305	0.001	2	108.7077	0.010	6	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.6725	0.025	2	108.6725	0.001	2	108.7077	0.010	6	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]CH)(H)2	C[6,6](C[6]C[6]HH)3(C[6]N[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]CH)(H)2{1|N<3>,3|C<4>,7|H<1>}	C[6,6](C[6]C[6]HH)3(C[6]N[6]HH){1|N<3>,1|S<4>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0870	0.013	2	108.5105	0.443	4	108.7046	0.246	52	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]CH)(H)2	C[6,6](C[6]C[6]HH)3(C[6]N[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]CH)(H)2{1|N<3>,3|C<4>,7|H<1>}	C[6,6](C[6]C[6]HH)3(C[6]N[6]HH){1|S<4>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	107.9340	0.004	2	108.5105	0.443	4	108.7046	0.246	52	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6a]HH)(C[6]C[6]CC)(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6]C[6]CC)(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9073	0.121	7	108.9073	0.015	7	108.7046	0.246	52	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6a]HH)(C[6]C[6]HH)2(C[6]N[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,8|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6]C[6]HH)2(C[6]N[6]HH){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9505	0.052	2	108.9505	0.003	2	108.7046	0.246	52	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]C[6]HO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]C[6]HO){1|O<2>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.7883	0.088	3	108.7883	0.008	3	108.7046	0.246	52	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]N[6]CH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]N[6]CH){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.4030	0.523	2	108.4873	1.923	4	108.7046	0.246	52	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]N[6]CH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]N[6]CH){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.5715	2.338	2	108.4873	1.923	4	108.7046	0.246	52	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]O[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]O[6]HH){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0200	1.082	2	108.5945	0.636	4	108.7046	0.246	52	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]O[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]O[6]HH){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.1690	0.116	2	108.5945	0.636	4	108.7046	0.246	52	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]HH)3(C[6]C[6]HN)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,7|H<1>}	C[6,6](C[6]C[6]HH)3(C[6]C[6]HN){1|C<3>,1|O<1>,1|S<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0235	0.012	2	109.0235	0.000	2	108.7046	0.246	52	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]HH)3(C[6]N[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,7|H<1>}	C[6,6](C[6]C[6]HH)3(C[6]N[6]HH){1|S<4>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7993	0.022	3	108.7993	0.000	3	108.7046	0.246	52	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]HH)4	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,8|H<1>}	C[6,6](C[6]C[6]HH)4{1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9193	0.161	4	108.6500	0.062	12	108.7046	0.246	52	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]HH)4	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,8|H<1>}	C[6,6](C[6]C[6]HH)4{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.5154	0.155	8	108.6500	0.062	12	108.7046	0.246	52	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6,6](C[6]N[5,6]HH)(C[6]C[6]HH)3	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,8|H<1>}	C[6,6](C[6]N[5,6]HH)(C[6]C[6]HH)3{1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8660	0.147	2	108.8660	0.022	2	108.7046	0.246	52	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HS)(H)2	C[6,6](C[6]C[6]HH)3(C[6]C[6]HN)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HS)(H)2{1|C<3>,1|N<3>,2|C<4>,7|H<1>}	C[6,6](C[6]C[6]HH)3(C[6]C[6]HN){1|C<3>,1|O<1>,1|S<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	107.8605	0.011	2	107.8605	0.000	2	108.7046	0.246	52	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]N[6]HH)(H)2	C[6,6](C[6]C[5,6]HH)2(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6]C[5,6]HH)2(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8623	0.036	3	108.8623	0.001	3	108.7046	0.246	52	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]N[6]HH)(H)2	C[6,6](C[6]C[6]HH)3(C[6]N[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]N[6]HH)(H)2{1|N<3>,1|S<4>,2|C<4>,6|H<1>}	C[6,6](C[6]C[6]HH)3(C[6]N[6]HH){1|N<3>,1|S<4>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8418	0.020	4	108.8418	0.000	4	108.7046	0.246	52	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S[6]-4:S[6]-4:	C[6]-4:	C[6](C[6,6]C[6]S[6]2)(C[6]N[6]CC)(H)2	C[6,6](C[6]C[6]HH)2(S[6]C[6]OO)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]S[6]2)(C[6]N[6]CC)(H)2{2|H<1>,3|C<4>,5|O<1>}	C[6,6](C[6]C[6]HH)2(S[6]C[6]OO)2{1|N<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.1992	0.210	5	108.3187	0.066	9	108.3187	0.066	9	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S[6]-4:S[6]-4:	C[6]-4:	C[6](C[6,6]C[6]S[6]2)(C[6]N[6]CC)(H)2	C[6,6](C[6]C[6]HH)2(S[6]C[6]OO)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]S[6]2)(C[6]N[6]CC)(H)2{3|C<4>,3|H<1>,4|O<1>}	C[6,6](C[6]C[6]HH)2(S[6]C[6]OO)2{1|N<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.4680	0.254	4	108.3187	0.066	9	108.3187	0.066	9	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:C[6]-4:Si-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]Si)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(SiC3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]Si)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(SiC3){2|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	106.7690	3.163	4	106.7690	10.002	4	106.7690	10.002	4	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2P[6])(C[6]C[6]HH)(H)2	C[6,6](P[6]C[6,6]C[6a]Pd)(C[6]C[5,6]HH)(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2P[6])(C[6]C[6]HH)(H)2{1|Pd<4>,1|C<3>,3|C<4>,6|H<1>}	C[6,6](P[6]C[6,6]C[6a]Pd)(C[6]C[5,6]HH)(C[6]C[6]HH)2{2|C<3>,2|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8236	0.174	8	108.8236	0.030	8	108.8236	0.030	8	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]CH)(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]CH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO){1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6,6]N[6]H)	109.7430	0.057	2	109.7430	0.003	2	109.7430	0.003	2	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]CH)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2O)(C[6]N[6]HH)(CH3)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2O)(C[6]N[6]HH)(CH3){2|C<4>,3|C<3>,7|H<1>}	H(C[6]C[6,6]N[6]H)	110.0545	0.218	2	110.0545	0.048	2	110.0545	0.048	2	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6,6]C[6]3)(H)2	C[6,6](C[6]N[5,6]HH)(C[6]C[6]HH)3	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[5,6]HH)(C[6,6]C[6]3)(H)2{1|N<3>,3|C<4>,7|H<1>}	C[6,6](C[6]N[5,6]HH)(C[6]C[6]HH)3{1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9190	0.031	2	108.9190	0.001	2	108.8286	0.014	9	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6,6]C[6]3)(H)2	C[6,6](C[6]C[6]HH)2(C[6]O[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6]HH)(C[6,6]C[6]3)(H)2{2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6]C[6]HH)2(C[6]O[6]HH)2{2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8027	0.122	7	108.8027	0.015	7	108.8286	0.014	9	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	4:4:4:4:	4:	S[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](S[6]C[6,6]OO)(C[6,6]C[6]3)(H)2	C[6,6](C[6]S[6]HH)4	H(C[6]C[6,6]S[6]H)	C[6](S[6]C[6,6]OO)(C[6,6]C[6]3)(H)2{2|C<4>,3|S<4>,6|H<1>}	C[6,6](C[6]S[6]HH)4{2|C<4>,8|O<1>}	H(C[6]C[6,6]S[6]H)	107.9864	0.174	9	107.9864	0.030	9	107.9864	0.030	9	108.8039	0.410	3087	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	5:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-5:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]AlHH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Al<6>,2|C<4>,2|H<2>,4|H<1>}	C[6,6](B[6,6]C[6,6]AlHH)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.2708	0.904	6	108.3758	0.386	12	108.4892	0.170	225	108.4892	0.170	225	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	5:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-5:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]AlHH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Al<7>,2|C<4>,2|H<2>,4|H<1>}	C[6,6](B[6,6]C[6,6]AlHH)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4808	0.085	6	108.3758	0.386	12	108.4892	0.170	225	108.4892	0.170	225	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	5:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-5:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]EuHH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Eu<12>,1|C<4>,1|C<5>,2|H<2>,4|H<1>}	C[6,6](B[6,6]C[6,6]EuHH)(C[6]C[6]HH)2(H){1|H<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.3098	0.048	4	108.2869	0.101	10	108.4892	0.170	225	108.4892	0.170	225	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	5:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-5:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]EuHH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Eu<12>,2|C<4>,2|H<2>,4|H<1>}	C[6,6](B[6,6]C[6,6]EuHH)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.2717	0.423	6	108.2869	0.101	10	108.4892	0.170	225	108.4892	0.170	225	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	5:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-5:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]HHY)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Y<13>,2|C<4>,2|H<2>,4|H<1>}	C[6,6](B[6,6]C[6,6]HHY)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.3820	0.234	8	108.3820	0.055	8	108.4892	0.170	225	108.4892	0.170	225	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	5:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-5:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]MnHH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Mn<7>,2|C<4>,2|H<2>,4|H<1>}	C[6,6](B[6,6]C[6,6]MnHH)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.5162	0.128	6	108.5162	0.016	6	108.4892	0.170	225	108.4892	0.170	225	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	5:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-5:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]RaHH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ra<20>,1|C<4>,1|C<5>,2|H<2>,4|H<1>}	C[6,6](B[6,6]C[6,6]RaHH)(C[6]C[6]HH)2(H){1|H<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.5358	0.138	8	108.5358	0.019	8	108.4892	0.170	225	108.4892	0.170	225	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	5:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-5:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]RhHO)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Rh<7>,1|H<2>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](B[6,6]C[6,6]RhHO)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4933	0.135	7	108.4933	0.018	7	108.4892	0.170	225	108.4892	0.170	225	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	5:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-5:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]RuCH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ru<9>,1|C<5>,1|H<2>,2|C<4>,4|H<1>}	C[6,6](B[6,6]C[6,6]RuCH)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4422	0.139	5	108.4422	0.019	5	108.4892	0.170	225	108.4892	0.170	225	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	5:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-5:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]ScHH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Sc<13>,2|C<4>,2|H<2>,4|H<1>}	C[6,6](B[6,6]C[6,6]ScHH)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6894	0.338	14	108.6894	0.114	14	108.4892	0.170	225	108.4892	0.170	225	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	5:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-5:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]ThHH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Th<12>,2|C<4>,2|H<2>,4|H<1>}	C[6,6](B[6,6]C[6,6]ThHH)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4125	0.036	6	108.4125	0.001	6	108.4892	0.170	225	108.4892	0.170	225	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	5:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-5:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]TiHH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ti<10>,2|C<4>,2|H<2>,4|H<1>}	C[6,6](B[6,6]C[6,6]TiHH)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4604	0.208	7	108.5284	0.273	104	108.4892	0.170	225	108.4892	0.170	225	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	5:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-5:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]TiHH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ti<11>,2|C<4>,2|H<2>,4|H<1>}	C[6,6](B[6,6]C[6,6]TiHH)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2702	1.324	12	108.5284	0.273	104	108.4892	0.170	225	108.4892	0.170	225	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	5:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-5:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]TiHH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ti<12>,1|C<4>,1|C<5>,2|H<2>,4|H<1>}	C[6,6](B[6,6]C[6,6]TiHH)(C[6]C[6]HH)2(H){1|H<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.5280	0.117	11	108.5284	0.273	104	108.4892	0.170	225	108.4892	0.170	225	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	5:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-5:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]TiHH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ti<12>,2|C<4>,2|H<2>,4|H<1>}	C[6,6](B[6,6]C[6,6]TiHH)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4058	0.104	54	108.5284	0.273	104	108.4892	0.170	225	108.4892	0.170	225	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	5:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-5:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]TiHH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ti<13>,1|C<4>,1|C<5>,2|H<2>,4|H<1>}	C[6,6](B[6,6]C[6,6]TiHH)(C[6]C[6]HH)2(H){1|H<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.4547	0.131	7	108.5284	0.273	104	108.4892	0.170	225	108.4892	0.170	225	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	5:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-5:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]TiHH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ti<13>,2|C<4>,2|H<2>,4|H<1>}	C[6,6](B[6,6]C[6,6]TiHH)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4294	0.127	13	108.5284	0.273	104	108.4892	0.170	225	108.4892	0.170	225	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	5:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-5:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]TiHO)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ti<10>,1|H<2>,1|O<3>,2|C<4>,4|H<1>}	C[6,6](B[6,6]C[6,6]TiHO)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.3511	0.166	7	108.3511	0.027	7	108.4892	0.170	225	108.4892	0.170	225	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	5:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-5:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]ZrHH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Zr<14>,1|C<4>,1|C<5>,2|H<2>,4|H<1>}	C[6,6](B[6,6]C[6,6]ZrHH)(C[6]C[6]HH)2(H){1|H<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.4707	0.187	4	108.4487	0.021	38	108.4892	0.170	225	108.4892	0.170	225	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:1:1:	5:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-5:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](B[6,6]C[6,6]ZrHH)(C[6]C[6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Zr<14>,2|C<4>,2|H<2>,4|H<1>}	C[6,6](B[6,6]C[6,6]ZrHH)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4461	0.144	34	108.4487	0.021	38	108.4892	0.170	225	108.4892	0.170	225	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	2:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	O[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){2|C<4>,4|H<1>}	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	109.3010	0.068	2	109.3010	0.005	2	108.6625	0.302	15	108.6625	0.302	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	2:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	O[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|F<1>,2|H<1>}	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]O)	108.9485	0.504	2	108.9485	0.254	2	108.6625	0.302	15	108.6625	0.302	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	2:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	O[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,3|H<1>}	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]O)	108.3560	0.000	1	108.7374	0.234	7	108.6625	0.302	15	108.6625	0.302	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	2:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	O[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|F<1>,2|H<1>}	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|H<1>,1|N<3>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]O)	109.0850	0.000	1	108.7374	0.234	7	108.6625	0.302	15	108.6625	0.302	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	2:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	O[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|F<1>,2|H<1>}	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]O)	109.5090	0.000	1	108.7374	0.234	7	108.6625	0.302	15	108.6625	0.302	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	2:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	O[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|F<1>,2|H<1>}	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]O)	108.5530	0.368	4	108.7374	0.234	7	108.6625	0.302	15	108.6625	0.302	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	2:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	O[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OSi)(H)	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OSi)(H){2|C<4>,4|H<1>}	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]O)	108.0692	0.219	4	108.0692	0.048	4	108.6625	0.302	15	108.6625	0.302	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	2:4:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	O[6,6]-2:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(OSi)(H)	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(OSi)(H){1|O<2>,2|C<4>,3|H<1>}	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	108.4990	0.000	1	108.4990	0.000	1	108.4990	0.000	1	108.4990	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	2:4:4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	O[6,6]-2:C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]N)(C[6]C[6]CC)(OC)(H)	C[6,6](O[6,6]C[6,6])(C[6]C[6]FF)(C[6]C[6]HO)(NHH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]O[6,6]C[6]N)(C[6]C[6]CC)(OC)(H){2|C<4>,2|F<1>,2|H<1>}	C[6,6](O[6,6]C[6,6])(C[6]C[6]FF)(C[6]C[6]HO)(NHH){1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	107.6760	0.000	1	107.6760	0.000	1	107.6760	0.000	1	107.6760	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:2:2:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:O[6]-2:O[6]-2:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]O[6]2)(C[6]C[6]ClH)(OH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])2(C[6]C[6]HO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6a]O[6]2)(C[6]C[6]ClH)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])2(C[6]C[6]HO){1|Cl<1>,1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]O)	108.9940	0.000	1	108.9940	0.000	1	108.9940	0.000	1	108.9940	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:2:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:S[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[5,6]HO)(OH)(H)	C[6,6](C[6,6]C[5,6,6]O)(S[6]C[5,6,6])(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[5,6]HO)(OH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6,6](C[6,6]C[5,6,6]O)(S[6]C[5,6,6])(C[6]C[6]HO)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	108.8230	0.948	2	108.8230	0.898	2	108.8230	0.898	2	108.8230	0.898	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:2:4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:O[6]-2:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(OH)(H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(COO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(COO){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]O)	108.6110	0.000	1	108.6110	0.000	1	108.6110	0.000	1	108.6110	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:2:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:O[6]-2:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(CH3){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]O)	108.2850	0.000	1	108.2850	0.000	1	108.2529	0.150	10	108.2529	0.150	10	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:2:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:O[6]-2:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(CH3){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]O)	108.2493	0.411	9	108.2493	0.169	9	108.2529	0.150	10	108.2529	0.150	10	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	108.8600	0.861	2	108.8600	0.742	2	108.8600	0.742	2	108.7361	0.908	9	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]H)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]H)(C[6]C[6]HO)(H){6|C<4>}	H(C[6]C[6,6]C[6]O)	109.1295	0.122	2	109.1295	0.015	2	109.1295	0.015	2	108.7361	0.908	9	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	109.0940	0.000	1	109.0940	0.000	1	109.0940	0.000	1	108.7361	0.908	9	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6]C[6a]C[6])(N[6,6]C[6]2)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6]C[6a]C[6])(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]O)	108.7710	1.334	2	108.7710	1.778	2	108.3880	1.850	4	108.7361	0.908	9	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6]N[6,6]O)(N[6,6]C[6]2)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6,6](C[6]N[6,6]O)(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	108.0050	1.785	2	108.0050	3.185	2	108.3880	1.850	4	108.7361	0.908	9	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:3:4:3:	4:	C[6,6]-4:C[5]-4:O[6]-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]2C[6])(C[5]C[5]N[5]H)(O[6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6]C[5]O[6]H)(C[6]C[6]H)	H(C[6]C[6,6]C[5]O[6])	C[6](C[6,6]C[6,6a]2C[6])(C[5]C[5]N[5]H)(O[6]C[6])(H){1|C<4>,1|O<2>,5|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6]C[5]O[6]H)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[5]O[6])	109.2470	0.000	1	109.2470	0.000	1	109.2470	0.000	1	109.2470	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:3:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(OC)(H){2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]O)	109.7420	0.000	1	109.7420	0.000	1	107.9765	2.808	4	107.9765	2.808	4	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:3:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(OH)(H){2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]O)	108.8140	0.000	1	108.8140	0.000	1	107.9765	2.808	4	107.9765	2.808	4	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:3:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	H(C[6]C[6,6]C[6]O)	106.6750	1.103	2	106.6750	1.217	2	107.9765	2.808	4	107.9765	2.808	4	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]O)	108.9050	0.000	1	108.9050	0.000	1	108.4700	0.120	4	108.4700	0.120	4	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HO)(O[6]C[6])(H){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]O)	108.0780	0.000	1	108.0780	0.000	1	108.4700	0.120	4	108.4700	0.120	4	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(O[6]C[6])(H){2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	108.4485	0.131	2	108.4485	0.017	2	108.4700	0.120	4	108.4700	0.120	4	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:2:4:	4:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]O[6]C)(OC)(H)	C[6,6](C[6,6]C[5,5,6,6]C)(C[6]C[5,6,6]HO)(O[6]C[6])(CH3)	H(C[6]C[5,6,6]C[6,6]O)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]O[6]C)(OC)(H){3|C<3>,5|C<4>}	C[6,6](C[6,6]C[5,5,6,6]C)(C[6]C[5,6,6]HO)(O[6]C[6])(CH3){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5,6,6]C[6,6]O)	108.1730	0.000	1	108.1730	0.000	1	108.1730	0.000	1	108.1730	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:3:1:	4:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(OC)(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]HO)(C[6]C[6,6]H)(H)	H(C[6]C[5,6]C[6,6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(OC)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]HO)(C[6]C[6,6]H)(H){6|C<4>}	H(C[6]C[5,6]C[6,6]O)	109.1280	0.000	1	109.1280	0.000	1	109.1280	0.000	1	108.8222	0.245	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:C-2:H-1:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]N[5,6]CH)(CN)(H)	C[6,6](N[6,6]C[5,6,6]H)(C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]N[6,6]C[6]H)(C[6]N[5,6]CH)(CN)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](N[6,6]C[5,6,6]H)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]C)	109.2090	0.000	1	109.2090	0.000	1	109.2090	0.000	1	108.8222	0.245	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HO)(N[6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H){1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HO)(N[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]O)	108.7068	0.528	6	108.7068	0.279	6	108.7068	0.279	6	108.8222	0.245	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:4:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C[6]H)(OH)(H)	C[6,6](C[3x6]C[4x6]C[6])(C[6]C[3x6]HO)(C[6]O[6]CH)(H)	H(C[6]C[3x6]C[6,6]O)	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C[6]H)(OH)(H){3|C<3>,3|C<4>,3|H<1>,3|O<2>}	C[6,6](C[3x6]C[4x6]C[6])(C[6]C[3x6]HO)(C[6]O[6]CH)(H){1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[3x6]C[6,6]O)	106.0600	0.000	1	106.0600	0.000	1	106.0600	0.000	1	108.8314	0.993	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:4:1:	4:	C[6,6]-4:C[3,6]-4:O-2:H-1:	N[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[5a,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(OH)(H)	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[3,6]HO)(H)	H(C[6]C[3,6]C[6,6]O)	C[6](C[6,6]N[5a,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[3,6]HO)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	H(C[6]C[3,6]C[6,6]O)	108.9660	0.000	1	108.9660	0.000	1	108.9660	0.000	1	108.8314	0.993	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:4:1:	4:	C[6,6]-4:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]N[5,6]C[5]H)(OH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HO)(H)	H(C[6]C[5,6]C[6,6]O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]N[5,6]C[5]H)(OH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HO)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	H(C[6]C[5,6]C[6,6]O)	108.2600	1.075	3	108.2600	1.155	3	108.2600	1.155	3	108.8314	0.993	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:4:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2O)(OC)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HO)(C[6]C[6]HO)(H)	H(C[6]C[6,6]2O)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2O)(OC)(H){1|H<1>,2|C<3>,3|C<4>,3|O<2>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HO)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,5|C<4>}	H(C[6]C[6,6]2O)	111.3160	0.000	1	111.3160	0.000	1	111.3160	0.000	1	108.8314	0.993	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(CN)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(CN)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|C<2>,2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	108.8670	0.000	1	108.8670	0.000	1	108.8670	0.000	1	108.8314	0.993	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HO)(H){5|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]O)	106.3550	0.000	1	106.3550	0.000	1	106.3550	0.000	1	108.8314	0.993	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]HO)(H){1|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]O)	107.8200	0.000	1	107.8200	0.000	1	108.7949	0.692	15	108.8314	0.993	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HO)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HO)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]O)	109.6960	0.000	1	109.6960	0.000	1	108.7949	0.692	15	108.8314	0.993	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OH)(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]HO)(H){1|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]O)	107.8250	0.175	2	107.8250	0.031	2	108.7949	0.692	15	108.8314	0.993	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6,6]C[6]O)	108.9910	0.000	1	108.4945	1.046	4	108.7949	0.692	15	108.8314	0.993	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6]C[6]O)	108.3290	1.185	3	108.4945	1.046	4	108.7949	0.692	15	108.8314	0.993	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	110.0710	0.000	1	110.0710	0.000	1	108.7949	0.692	15	108.8314	0.993	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	109.1126	0.253	5	109.1126	0.064	5	108.7949	0.692	15	108.8314	0.993	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	109.1460	0.000	1	109.1460	0.000	1	108.7949	0.692	15	108.8314	0.993	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HO)(OH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]N[6]H)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]N[6]H)(C[6]C[6]HO)(H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]O)	108.9940	0.000	1	108.9940	0.000	1	109.3219	0.324	9	108.8314	0.993	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(OH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(OH)(H){1|H<1>,1|N<3>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HO)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]O)	109.2980	0.000	1	109.2980	0.000	1	109.3219	0.324	9	108.8314	0.993	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(OH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]O)	108.6395	0.100	2	108.6395	0.010	2	109.3219	0.324	9	108.8314	0.993	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HO)(H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]O)	109.1360	0.000	1	109.1360	0.000	1	109.3219	0.324	9	108.8314	0.993	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CH)(OC)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]O)	109.9510	0.000	1	109.9510	0.000	1	109.3219	0.324	9	108.8314	0.993	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CH)(OC)(H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6,6]C[6]O)	109.9635	0.540	2	109.9635	0.291	2	109.3219	0.324	9	108.8314	0.993	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]HH)(OC)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]HH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H){1|N<2>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]O)	109.3120	0.000	1	109.3120	0.000	1	109.3219	0.324	9	108.8314	0.993	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	108.9520	0.000	1	108.9520	0.000	1	108.8862	0.136	8	108.8314	0.993	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	109.2350	0.041	3	109.2350	0.002	3	108.8862	0.136	8	108.8314	0.993	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HO)(C[6]S[6]HH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,1|S<4>,2|C<4>,3|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HO)(C[6]S[6]HH)(H){1|O<2>,2|C<4>,2|O<1>,5|H<1>}	H(C[6]C[6,6]C[6]O)	108.4790	0.000	1	108.4790	0.000	1	108.8862	0.136	8	108.8314	0.993	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){2|F<1>,2|H<1>,3|C<4>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]O)	108.8690	0.000	1	108.8690	0.000	1	108.8862	0.136	8	108.8314	0.993	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|F<1>,3|H<1>}	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]O)	108.2470	0.000	1	108.2470	0.000	1	108.8862	0.136	8	108.8314	0.993	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]O[6]CH)(OC)(H)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]N[6,6]C[6]H)(C[6]O[6]CH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	108.8380	0.000	1	108.8380	0.000	1	108.8862	0.136	8	108.8314	0.993	40	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:4:2:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2O)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]O)(C[6]C[6,6]HO)(OH)	H(C[6]C[6,6]2O)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2O)(OC)(H){1|H<1>,2|C<3>,3|C<4>,3|O<2>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]O)(C[6]C[6,6]HO)(OH){2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]2O)	111.3540	0.000	1	111.3540	0.000	1	111.3540	0.000	1	109.4274	1.874	5	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(OH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)2(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)2(OH){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]O)	109.7240	0.000	1	109.7240	0.000	1	108.7760	1.255	3	109.4274	1.874	5	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(OH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)2(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)2(OH){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]O)	107.5400	0.000	1	107.5400	0.000	1	108.7760	1.255	3	109.4274	1.874	5	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(OH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]O)	109.0640	0.000	1	109.0640	0.000	1	108.7760	1.255	3	109.4274	1.874	5	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]HO)(O[6]C[6])	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(OH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]HO)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]O)	109.4550	0.000	1	109.4550	0.000	1	109.4550	0.000	1	109.4274	1.874	5	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|C<3>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]O)	108.1417	0.235	3	108.1417	0.055	3	108.1310	0.037	4	107.9765	0.478	13	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){2|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	108.0990	0.000	1	108.0990	0.000	1	108.1310	0.037	4	107.9765	0.478	13	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	106.3740	0.000	1	106.3740	0.000	1	108.0716	0.707	7	107.9765	0.478	13	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	108.2200	0.000	1	108.4026	0.203	5	108.0716	0.707	7	107.9765	0.478	13	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	108.3070	0.755	2	108.4026	0.203	5	108.0716	0.707	7	107.9765	0.478	13	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	108.5895	0.346	2	108.4026	0.203	5	108.0716	0.707	7	107.9765	0.478	13	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	108.1140	0.000	1	108.1140	0.000	1	108.0716	0.707	7	107.9765	0.478	13	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6a]HO)(OH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6a]HO)(OH)(H){1|H<1>,1|N<3>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]O)	107.7810	0.000	1	107.7810	0.000	1	107.3350	0.398	2	107.9765	0.478	13	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]OO)(OH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HO)(CCHH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]OO)(OH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HO)(CCHH){1|C<4>,3|C<3>,3|H<1>,3|O<2>}	H(C[6]C[6,6]C[6]O)	106.8890	0.000	1	106.8890	0.000	1	107.3350	0.398	2	107.9765	0.478	13	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CH)(OC)(H)	C[6,6](C[3x6]C[6,6]2H)(O[6]C[6,6a])(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>,2|C<4>}	C[6,6](C[3x6]C[6,6]2H)(O[6]C[6,6a])(C[6]C[6]HO)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]O)	110.4310	0.000	1	110.4310	0.000	1	110.4310	0.000	1	110.4310	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:2:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]O[6]2H)(O[6]C[6,6a])(C[6]C[6]HO)(OC)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]O[6]2H)(O[6]C[6,6a])(C[6]C[6]HO)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6]C[6]O)	108.4780	0.076	2	108.4780	0.006	2	108.4780	0.006	2	108.4127	0.016	3	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:2:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6,6]-2:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]CC)(OC)(H)	C[6,6](C[6]C[5,6]FF)(O[6,6]C[6,6])(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]CC)(OC)(H){2|C<4>,2|F<1>,2|H<1>}	C[6,6](C[6]C[5,6]FF)(O[6,6]C[6,6])(C[6]C[6]HO)(OH){1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	108.2820	0.000	1	108.2820	0.000	1	108.2820	0.000	1	108.4127	0.016	3	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:2:4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:O[6]-2:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]2Cl)(O[6]C[6,6a])(C[6]C[6]HO)(COO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(OH)(H){1|Cl<1>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2Cl)(O[6]C[6,6a])(C[6]C[6]HO)(COO){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	H(C[6]C[6,6]C[6]O)	108.8460	0.000	1	108.8460	0.000	1	108.8460	0.000	1	108.8460	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HO)(CH3){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	108.4570	0.000	1	108.5580	0.020	2	108.7735	0.905	4	108.7735	0.905	4	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HO)(CH3){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]O)	108.6590	0.000	1	108.5580	0.020	2	108.7735	0.905	4	108.7735	0.905	4	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(OH)(H)	C[6,6](C[6,6]C[6]2O)(O[6]C[6,6a])(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2O)(O[6]C[6,6a])(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	108.9890	1.584	2	108.9890	2.509	2	108.7735	0.905	4	108.7735	0.905	4	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:2:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6]C[6]HO)(C[6]C[6]H)(O[6]C[6])2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6]C[6]HO)(C[6]C[6]H)(O[6]C[6])2{1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	106.6580	0.000	1	106.6580	0.000	1	106.6580	0.000	1	106.6580	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:2:4:	4:	C[3,6]-4:C[6,6]-4:O-2:H-1:	C[6]-4:C[6,6]-3:O[6]-2:C-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]O[6]C)(OC)(H)	C[6,6](C[6]C[3,6]HO)(C[6,6]C[6]2)(O[6]C[6,6a])(CH3)	H(C[6]C[3,6]C[6,6]O)	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]O[6]C)(OC)(H){1|H<1>,3|C<3>}	C[6,6](C[6]C[3,6]HO)(C[6,6]C[6]2)(O[6]C[6,6a])(CH3){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[3,6]C[6,6]O)	109.7920	0.475	2	109.7920	0.226	2	109.7920	0.226	2	109.7920	0.226	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]N[6,6]C[6]H)(OH)(H)	C[6,6](C[6]C[5,6]HO)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6,6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]N[6,6]C[6]H)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6]C[5,6]HO)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,7|H<1>}	H(C[6]C[5,6]C[6,6]O)	110.0570	0.000	1	110.0570	0.000	1	110.0570	0.000	1	109.1648	0.620	27	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C-2:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]CH)(CN)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]CH)(CN)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){1|C<2>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]C)	108.0100	0.000	1	108.0100	0.000	1	108.0100	0.000	1	109.1648	0.620	27	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(CN)(H)	C[6,6](C[6,6]C[6]S[6]2)(N[6,6]C[6]2)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(CN)(H){2|H<1>,2|S<2>,3|C<4>}	C[6,6](C[6,6]C[6]S[6]2)(N[6,6]C[6]2)(C[6]C[6]CH)(H){4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]C)	108.4270	0.000	1	108.4270	0.000	1	108.4270	0.000	1	109.1648	0.620	27	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(CN)(H)	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(CN)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	110.0050	0.000	2	110.0050	0.000	2	110.0050	0.000	2	109.1648	0.620	27	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HO)(OH)(H){1|N<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]O)	109.3590	0.000	1	109.3590	0.000	1	109.3590	0.000	1	109.1648	0.620	27	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]O)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]O)(C[6]C[6]HO)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	107.2060	0.000	1	107.2060	0.000	1	107.2060	0.000	1	109.1648	0.620	27	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OSi)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OSi)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HO)(H){1|C<2>,1|O<1>,3|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]O)	108.7230	0.000	1	108.7230	0.000	1	108.7230	0.000	1	109.1648	0.620	27	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OC)(H){2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	109.7160	0.000	1	109.7160	0.000	1	108.9414	0.788	5	109.1648	0.620	27	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]C)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]C)(C[6]C[6]HO)(H){1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	108.7760	0.000	1	108.7760	0.000	1	108.9414	0.788	5	109.1648	0.620	27	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H){2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HO)(H){4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]O)	107.5590	0.000	1	107.5590	0.000	1	108.9414	0.788	5	109.1648	0.620	27	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]2)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]2)(C[6]C[6]HO)(H){2|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	109.7250	0.000	1	109.7250	0.000	1	108.9414	0.788	5	109.1648	0.620	27	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(OH)(H){2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]O)	108.9310	0.000	1	108.9310	0.000	1	108.9414	0.788	5	109.1648	0.620	27	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-3:C[6]-4:Br-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]Br)(C[6]C[6]HN)(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[3,6]O)(C[6]C[6]HO)(Br)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]Br)(C[6]C[6]HN)(OH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[3,6]O)(C[6]C[6]HO)(Br){1|N<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]O)	109.7170	0.000	1	109.7170	0.000	1	109.7170	0.000	1	109.1648	0.620	27	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(OH)(H)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(OH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]HO)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6,6]C[6]O)	109.4110	0.000	1	109.4110	0.000	1	109.6430	0.067	3	109.1648	0.620	27	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,3|H<1>,3|O<2>}	H(C[6]C[6,6]C[6]O)	109.5950	0.000	1	109.7590	0.054	2	109.6430	0.067	3	109.1648	0.620	27	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HO)(H){2|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]O)	109.9230	0.000	1	109.7590	0.054	2	109.6430	0.067	3	109.1648	0.620	27	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]C)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OC)(H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]C)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]O)	109.4885	0.128	2	109.4885	0.016	2	109.1030	0.488	7	109.1648	0.620	27	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]O)	108.0890	0.000	1	108.0890	0.000	1	109.1030	0.488	7	109.1648	0.620	27	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]O[6]CH)(OH)(H)	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]N[6]H)(C[6]O[6]CH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]O)	110.1240	0.000	1	110.1240	0.000	1	109.1030	0.488	7	109.1648	0.620	27	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]O[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]N[6]H)(C[6]O[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]O)	108.8437	0.415	3	108.8437	0.172	3	109.1030	0.488	7	109.1648	0.620	27	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	C[6,6](C[6]C[5,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6]C[5,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	109.3130	0.000	1	109.3130	0.000	1	109.3130	0.000	1	109.1648	0.620	27	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6]N[6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6]N[6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	109.6355	0.091	2	109.6355	0.008	2	109.6355	0.008	2	109.1648	0.620	27	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:4:2:	4:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6]-4:C[6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[5,6]C[6,6a]O[5]2)(C[6,6]C[6]2O[6])(OH)(H)	C[6,6](C[6]C[5,6]HO)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[5,6]C[6,6]O)	C[6](C[5,6]C[6,6a]O[5]2)(C[6,6]C[6]2O[6])(OH)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6]C[5,6]HO)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[6]C[5,6]C[6,6]O)	107.7460	0.000	1	107.7460	0.000	1	107.7460	0.000	1	108.5622	0.384	16	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]HH)(OH)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]HH)(OH)(H){2|C<3>,5|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HO)(OH){3|O<2>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]O)	109.2355	0.465	2	108.6893	0.528	4	108.6893	0.528	4	108.5622	0.384	16	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]HH)(OH)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]HH)(OH)(H){3|C<3>,4|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HO)(OH){1|O<1>,2|O<2>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]O)	108.1430	0.417	2	108.6893	0.528	4	108.6893	0.528	4	108.5622	0.384	16	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[5,6]HH)(OH)(H){1|C<3>,6|C<4>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HO)(OH){6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	108.3767	0.061	4	108.3767	0.004	4	108.3767	0.004	4	108.5622	0.384	16	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(OH)(H){3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HO)(OH){2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	109.4810	0.000	1	109.4810	0.000	1	108.4477	0.894	3	108.5622	0.384	16	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]CC)(OC)(H)	C[6,6](C[6,6]C[3x6]O[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]CC)(OC)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[3x6]O[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HO)(OH){1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[6,6]C[6]O)	107.9310	0.433	2	107.9310	0.187	2	108.4477	0.894	3	108.5622	0.384	16	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(OH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6a]O)(C[6]C[6]HO)(OC)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(OH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6a]O)(C[6]C[6]HO)(OC){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]O)	108.7140	0.000	1	108.7140	0.000	1	108.9105	0.325	4	108.5622	0.384	16	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]HO)(OH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]O)	108.7725	0.822	2	108.7725	0.676	2	108.9105	0.325	4	108.5622	0.384	16	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6a]O)(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6a]O)(C[6]C[6]HO)(OH){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]O)	109.3830	0.000	1	109.3830	0.000	1	108.9105	0.325	4	108.5622	0.384	16	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[5,6,6]C[5,6]2)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[5,6,6]C[5,6]2)(C[6]C[6]HO)(CH3){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	108.2435	0.019	2	108.2435	0.000	2	108.2435	0.000	2	108.5473	1.099	17	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3){1|C<3>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]O)	109.4810	0.000	1	109.4810	0.000	1	109.1304	0.902	5	108.5473	1.099	17	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	107.4480	0.000	1	107.4480	0.000	1	109.1304	0.902	5	108.5473	1.099	17	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]O)	109.6780	0.018	2	109.6780	0.000	2	109.1304	0.902	5	108.5473	1.099	17	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3){1|O<2>,4|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]O)	109.3670	0.000	1	109.3670	0.000	1	109.1304	0.902	5	108.5473	1.099	17	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]O)	108.2085	0.439	2	108.3847	0.146	4	108.4852	0.160	5	108.5473	1.099	17	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]O)	108.3160	0.000	1	108.3847	0.146	4	108.4852	0.160	5	108.5473	1.099	17	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	108.8060	0.000	1	108.3847	0.146	4	108.4852	0.160	5	108.5473	1.099	17	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(OH)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	108.8870	0.000	1	108.8870	0.000	1	108.4852	0.160	5	108.5473	1.099	17	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|H<1>,2|O<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]HO)(CH3){1|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	109.6430	0.000	1	109.6430	0.000	1	109.2955	0.242	2	108.5473	1.099	17	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]O)	108.9480	0.000	1	108.9480	0.000	1	109.2955	0.242	2	108.5473	1.099	17	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:N[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]C)(C[6]O[6]CH)(OH)(H)	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]N[6]C)(C[6]O[6]CH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HO)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]O)	108.8150	0.000	1	108.8150	0.000	1	108.8150	0.000	1	108.5473	1.099	17	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	107.8760	0.000	1	107.8760	0.000	1	107.8760	0.000	1	108.5473	1.099	17	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:S-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(SC[6a])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HS)(CH3)	H(C[6]C[6,6]C[6]S)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(SC[6a])(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HS)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]S)	105.4570	0.000	1	105.4570	0.000	1	105.4570	0.000	1	108.5473	1.099	17	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6,6]O[6]H)(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HO)(O[6]C[6])(H)	H(C[6]C[5,6]C[6,6]O)	C[6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6,6]O[6]H)(OC)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(C[6]C[5,6]C[6,6]O)	109.3270	0.000	1	109.3270	0.000	1	109.0280	0.705	3	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(OC[5])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HO)(O[6]C[6])(H)	H(C[6]C[5,6]C[6,6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(OC[5])(H){1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HO)(O[6]C[6])(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6,6]O)	108.0800	0.000	1	108.0800	0.000	1	109.0280	0.705	3	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HO)(O[6]C[6])(H)	H(C[6]C[5,6]C[6,6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HO)(O[6]C[6])(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6,6]O)	109.6770	0.000	1	109.6770	0.000	1	109.0280	0.705	3	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[3,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[3,6]C[3]2O[6])(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[3,6]HO)(O[6]C[6])(H)	H(C[6]C[3,6]C[6,6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[3,6]C[3]2O[6])(OC)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[3,6]HO)(O[6]C[6])(H){1|H<1>,3|O<2>,4|C<4>}	H(C[6]C[3,6]C[6,6]O)	114.1680	0.000	1	114.1680	0.000	1	114.1680	0.000	1	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[5]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:N[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[5]N[5]S[5]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[5]O[6]H)(N[6]C[6])(H)	H(C[6]C[6,6]C[5]O[6])	C[6](C[6,6]C[6,6]N[6]H)(C[5]N[5]S[5]H)(O[6]C[6])(H){1|H<1>,1|N<2>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[5]O[6]H)(N[6]C[6])(H){1|C<4>,1|N<3>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[5]O[6])	110.1600	0.000	1	110.1600	0.000	1	110.1600	0.000	1	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:N-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)2(NN)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HN)(O[6]C[6])(H)	H(C[6]C[6,6]2N)	C[6](C[6,6]C[6,6]O[6]H)2(NN)(H){2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HN)(O[6]C[6])(H){1|N<2>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]2N)	110.1407	0.058	7	110.1333	0.003	9	110.1333	0.003	9	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:N-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)2(NN)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HN)(O[6]C[6])(H)	H(C[6]C[6,6]2N)	C[6](C[6,6]C[6,6]O[6]H)2(NN)(H){2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HN)(O[6]C[6])(H){2|H<1>,3|C<4>,3|O<2>}	H(C[6]C[6,6]2N)	110.1075	0.028	2	110.1333	0.003	9	110.1333	0.003	9	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(OH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6,6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]2O)	C[6](C[6,6]C[3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(OH)(H){1|C<3>,1|H<1>,7|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6,6]HO)(O[6]C[6])(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6,6]2O)	109.0140	0.000	1	109.0140	0.000	1	109.0140	0.000	1	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]O[6]H)(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]P[6])(H)	H(C[6]C[6,6]2O)	C[6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]O[6]H)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|P<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]P[6])(H){1|C<4>,1|N<3>,1|O<1>,2|O<2>,3|H<1>}	H(C[6]C[6,6]2O)	107.5200	0.000	1	107.5200	0.000	1	109.3425	0.512	19	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)2(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]2O)	C[6](C[6,6]C[6,6]O[6]H)2(OC)(H){1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6,6]2O)	108.7745	0.158	4	108.7853	0.026	7	109.3425	0.512	19	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)2(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]2O)	C[6](C[6,6]C[6,6]O[6]H)2(OC)(H){1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]2O)	108.7997	0.198	3	108.7853	0.026	7	109.3425	0.512	19	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)2(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]2O)	C[6](C[6,6]C[6,6]O[6]H)2(OH)(H){2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H){1|N<2>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]2O)	109.7905	0.023	2	109.8212	0.062	9	109.3425	0.512	19	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)2(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]2O)	C[6](C[6,6]C[6,6]O[6]H)2(OH)(H){2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H){2|H<1>,3|C<4>,3|O<2>}	H(C[6]C[6,6]2O)	109.8300	0.287	7	109.8212	0.062	9	109.3425	0.512	19	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)2(OS)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]2O)	C[6](C[6,6]C[6,6]O[6]H)2(OS)(H){2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H){2|H<1>,3|C<4>,3|O<2>}	H(C[6]C[6,6]2O)	110.0500	0.028	2	110.0500	0.001	2	109.3425	0.512	19	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:N-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NN)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NN)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]N)	108.2925	1.620	2	108.2925	2.624	2	108.3593	2.236	6	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:N-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(NN)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(NN)(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H){1|C<2>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]N)	110.4210	0.000	1	109.7800	0.822	2	108.3593	2.236	6	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:N-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(NN)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(NN)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]N)	109.1390	0.000	1	109.7800	0.822	2	108.3593	2.236	6	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:N-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(NN)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H){2|H<1>,3|C<4>,3|O<2>}	H(C[6]C[6,6]C[6]N)	107.0055	0.153	2	107.0055	0.024	2	108.3593	2.236	6	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]HO)(OC)(H)	C[6,6](C[3x6]C[6,6]2O)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]HO)(OC)(H){1|O<2>,3|C<4>}	C[6,6](C[3x6]C[6,6]2O)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]O)	108.9010	0.000	1	108.9010	0.000	1	108.9010	0.000	1	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|N<2>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]O)	109.9580	0.000	1	109.5850	0.247	4	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	109.4607	0.527	3	109.5850	0.247	4	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]O)	109.7410	0.000	1	109.4440	0.176	2	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|N<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]O)	109.1470	0.000	1	109.4440	0.176	2	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CO)(OH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CO)(OH)(H){1|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(O[6]C[6])(H){1|C<2>,2|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	109.7610	0.025	2	109.7610	0.001	2	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HO)(O[6]O[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HO)(O[6]O[6])(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]O)	108.7360	0.334	2	108.7360	0.111	2	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]O)	110.0560	0.000	1	110.0560	0.000	1	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HO)(O[6]O[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HO)(O[6]O[6])(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]O)	107.7337	0.043	3	107.7337	0.002	3	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	108.7845	1.074	2	108.7913	0.577	3	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]O)	108.8050	0.000	1	108.7913	0.577	3	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]O)	108.8771	1.132	8	108.8771	1.281	8	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]O)	110.4900	0.000	1	110.2060	0.161	2	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]O)	109.9220	0.000	1	110.2060	0.161	2	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC[6a])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC[6a])(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]O)	110.2190	0.000	1	110.2190	0.000	1	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]O)	108.7540	0.072	2	108.7540	0.005	2	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]O)	110.1730	0.997	2	109.9128	0.343	6	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]O)	109.7827	0.416	4	109.9128	0.343	6	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OP)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OP)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]O)	109.7155	0.513	2	109.7155	0.263	2	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]O)	111.1350	0.334	2	111.1350	0.111	2	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6]C[6]O)	110.5090	0.000	1	110.5090	0.000	1	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]O)	110.4060	0.000	1	109.7035	0.466	21	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]O)	109.9780	0.000	1	109.7035	0.466	21	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]O)	108.1630	0.000	1	109.7035	0.466	21	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	109.6020	0.000	1	109.7035	0.466	21	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]O)	110.3510	0.000	1	109.7035	0.466	21	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<2>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]O)	108.5820	0.117	2	109.7035	0.466	21	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]O)	109.6580	0.626	5	109.7035	0.466	21	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]O)	109.9059	0.359	7	109.7035	0.466	21	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	110.2390	0.462	2	109.7035	0.466	21	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]O[6]S[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,1|S<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]O[6]S[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]O)	109.7910	0.000	1	109.7910	0.000	1	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(O[6]C[3x6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(O[6]C[3x6])(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	107.1400	0.000	1	107.1400	0.000	1	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]O)	109.5590	0.000	1	108.2554	2.084	5	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	106.2470	0.000	1	108.2554	2.084	5	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6]C[6]O)	108.4903	1.104	3	108.2554	2.084	5	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,1|O<3>,3|H<1>}	H(C[6]C[6,6]C[6]O)	109.9650	0.000	1	109.5778	0.659	17	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]O)	108.8350	0.000	1	109.5778	0.659	17	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|O<2>,1|O<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	109.3318	0.867	9	109.5778	0.659	17	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]O)	110.1753	0.756	3	109.5778	0.659	17	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]O)	110.1845	0.371	2	109.5778	0.659	17	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]O)	109.1420	0.000	1	109.5778	0.659	17	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]N[5a,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]N[5a,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]O)	108.4170	0.000	1	108.4170	0.000	1	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]O)	109.4025	0.080	2	109.2020	0.124	3	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]O)	108.8010	0.000	1	109.2020	0.124	3	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]O[6]2H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]O[6]2H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	109.6293	0.457	3	109.6293	0.208	3	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OS)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OS)(H){1|O<2>,1|S<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]O)	110.0540	0.962	4	110.0538	0.694	5	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OS)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OS)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]O)	110.0530	0.000	1	110.0538	0.694	5	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N[5]H)(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N[5]H)(OH)(H){1|O<2>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]O)	109.3420	0.000	1	109.5935	0.127	2	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N[5]H)(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N[5]H)(OH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]O)	109.8450	0.000	1	109.5935	0.127	2	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]O[6]H)(OC)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]O[6]H)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]O)	110.4200	0.000	1	110.4200	0.000	1	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]O[6]H)(OH)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]O[6]H)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]O)	108.6868	0.757	5	108.6868	0.573	5	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]CH)(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]CH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|S<2>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]O)	110.6360	0.000	1	110.6360	0.000	1	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){2|H<1>,3|C<4>,3|O<2>}	H(C[6]C[6,6]C[6]O)	109.9070	0.318	2	109.9070	0.101	2	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(OS)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(OS)(H){1|H<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){2|H<1>,3|C<4>,3|O<2>}	H(C[6]C[6,6]C[6]O)	110.1640	0.000	1	110.1640	0.000	1	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HS)(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HS)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|S<2>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]O)	109.3530	0.000	1	109.3530	0.000	1	109.4386	0.877	111	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:S[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]O[6]S[6]H)(C[6]C[6]HO)(S[6]C[6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]O[6]S[6]H)(C[6]C[6]HO)(S[6]C[6])(H){1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	112.5800	0.000	1	112.5800	0.000	1	112.5800	0.000	1	109.4671	1.075	153	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[6]-4:O[6]-2:O-2:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]O)(C[6]C[6]HH)(OH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HO)(O[6]C[6])(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3x6]O[6]O)(C[6]C[6]HH)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HO)(O[6]C[6])(OH){1|C<3>,3|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]O)	107.5760	0.000	1	107.5760	0.000	1	107.5760	0.000	1	107.5760	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:4:	4:	C[3,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]O[6]C)(OH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[3,6]HO)(O[6]C[6,6a])(CH3)	H(C[6]C[3,6]C[6,6]O)	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]O[6]C)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6]2O)(C[6]C[3,6]HO)(O[6]C[6,6a])(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[3,6]C[6,6]O)	109.1740	0.000	1	109.1740	0.000	1	109.1740	0.000	1	108.3496	1.374	5	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:4:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O[6]C)(OH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HO)(O[6]C[6,6a])(CH3)	H(C[6]C[6,6]2O)	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O[6]C)(OH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HO)(O[6]C[6,6a])(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6,6]2O)	109.9330	0.000	1	109.9330	0.000	1	109.9330	0.000	1	108.3496	1.374	5	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6,6]HO)(OH)(H)	C[6,6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HO)(O[6]C[6])(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6,6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HO)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]O)	107.4980	0.000	1	107.4980	0.000	1	107.4980	0.000	1	108.3496	1.374	5	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(O[6]C[6])(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]O)	108.0030	0.000	1	108.0030	0.000	1	107.5715	0.372	2	108.3496	1.374	5	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:2:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(O[6]C[5,6])(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(OH)(H){1|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(O[6]C[5,6])(CH3){2|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	107.1400	0.000	1	107.1400	0.000	1	107.5715	0.372	2	108.3496	1.374	5	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[3,6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,5,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(OH)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[3,6,6]HO)(C[6]C[6]O)(H)	H(C[6]C[3,6,6]C[6,6]O)	C[6](C[3,6,6]C[3,5,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(OH)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[3,6,6]HO)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[3,6,6]C[6,6]O)	109.7820	0.000	1	109.7820	0.000	1	109.7820	0.000	1	108.8914	2.091	37	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6,6]C[6]H)(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[5,6]HO)(C[6]C[6]O)(H)	H(C[6]C[5,6]C[6,6]O)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6,6]C[6]H)(OH)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[5,6]HO)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6,6]O)	108.9630	0.000	1	108.9630	0.000	1	108.9630	0.000	1	108.8914	2.091	37	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[3,6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(OH)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)(H)	H(C[6]C[3,6]C[6,6]O)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	H(C[6]C[3,6]C[6,6]O)	109.4477	0.597	3	109.4477	0.357	3	109.4477	0.357	3	108.8914	2.091	37	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[3,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(OH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)(H)	H(C[6]C[3,6]C[6,6]O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	H(C[6]C[3,6]C[6,6]O)	113.1740	0.000	1	113.1740	0.000	1	113.1740	0.000	1	108.8914	2.091	37	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]O[6]H)(OH)(H)	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6]HO)(N[6]C[6,6a]H)(H)	H(C[6]C[6,6]2O)	C[6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]O[6]H)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|P<4>,3|H<1>}	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6]HO)(N[6]C[6,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6]2O)	107.5880	0.000	1	107.5880	0.000	1	107.5880	0.000	1	108.8914	2.091	37	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6]-4:C[6]-4:C[6,6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)2(OH)(H)	C[6,6](C[6]C[6,6a]CH)(C[6]C[6,6]HO)(C[6,6]C[6]2)(H)	H(C[6]C[6,6]2O)	C[6](C[6,6]C[6,6]C[6]H)2(OH)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]CH)(C[6]C[6,6]HO)(C[6,6]C[6]2)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]2O)	107.7195	0.237	2	107.7195	0.056	2	107.7195	0.056	2	108.8914	2.091	37	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HO)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HO)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	107.6875	1.606	2	107.6875	2.579	2	107.6875	2.579	2	108.8914	2.091	37	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]O[6]HH)(OC)(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HO)(N[6]C[6]S)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]O[6]HH)(OC)(H){1|H<1>,1|O<2>,1|S<4>,2|C<4>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HO)(N[6]C[6]S)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	107.6835	0.897	2	107.6835	0.805	2	107.6835	0.805	2	108.8914	2.091	37	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(OC)(H)	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(OC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	109.3790	0.000	1	109.3790	0.000	1	108.8704	1.914	20	108.8914	2.091	37	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H){1|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]C)(H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	110.2460	0.000	1	110.2460	0.000	1	108.8704	1.914	20	108.8914	2.091	37	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	108.2960	0.000	1	108.2960	0.000	1	108.8704	1.914	20	108.8914	2.091	37	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]O)	110.5460	0.000	1	110.5460	0.000	1	108.8704	1.914	20	108.8914	2.091	37	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	106.6430	0.000	1	107.6865	2.178	2	108.8704	1.914	20	108.8914	2.091	37	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	108.7300	0.000	1	107.6865	2.178	2	108.8704	1.914	20	108.8914	2.091	37	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]N)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]N)(H){2|H<1>,2|O<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	109.6470	0.000	1	109.6470	0.000	1	108.8704	1.914	20	108.8914	2.091	37	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]O)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	107.6645	0.182	2	107.6645	0.033	2	108.8704	1.914	20	108.8914	2.091	37	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]H)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	109.1697	0.319	4	109.1697	0.102	4	108.8704	1.914	20	108.8914	2.091	37	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]O)(H){2|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]O)	111.4440	0.000	1	111.4440	0.000	1	108.8704	1.914	20	108.8914	2.091	37	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]N[6]O)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]N[6]O)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]O)	108.9880	0.000	1	108.9880	0.000	1	108.8704	1.914	20	108.8914	2.091	37	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]HS)(C[6]C[6]HO)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|O<1>,1|S<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]HS)(C[6]C[6]HO)(C[6]C[6]O)(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	105.6840	0.000	1	105.6840	0.000	1	108.8704	1.914	20	108.8914	2.091	37	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OSi)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OSi)(H){1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]O)(H){2|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]O)	109.8240	0.000	1	109.8240	0.000	1	108.8704	1.914	20	108.8914	2.091	37	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)(H){2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	107.0140	0.000	1	107.0140	0.000	1	108.8704	1.914	20	108.8914	2.091	37	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]C[6]O)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	109.4790	0.000	2	109.4790	0.000	2	108.8704	1.914	20	108.8914	2.091	37	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HO)(N[6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]HH)(OH)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HO)(N[6]C[6]H)(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	108.8810	0.000	1	108.8810	0.000	1	109.3860	1.143	4	108.8914	2.091	37	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HO)(N[6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HO)(N[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]O)	108.1220	0.000	1	108.1220	0.000	1	109.3860	1.143	4	108.8914	2.091	37	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(N[6]C[6]S)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(N[6]C[6]S)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]O)	110.1940	0.000	1	110.1940	0.000	1	109.3860	1.143	4	108.8914	2.091	37	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HO)(N[6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HO)(N[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]O)	110.3470	0.000	1	110.3470	0.000	1	109.3860	1.143	4	108.8914	2.091	37	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:2:	4:	C[3,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]O)(OH)(H)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[3,6]HO)(C[6]C[6,6a]O)(OH)	H(C[6]C[3,6]C[6,6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]O)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[3,6]HO)(C[6]C[6,6a]O)(OH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[3,6]C[6,6]O)	108.3170	0.000	1	108.3170	0.000	1	108.3170	0.000	1	108.0030	1.519	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:2:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O[6]C)(OH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HO)(C[6]C[6]O)(OH)	H(C[6]C[6,6]2O)	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O[6]C)(OH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HO)(C[6]C[6]O)(OH){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]2O)	109.9470	0.000	1	109.9470	0.000	1	109.9470	0.000	1	108.0030	1.519	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(C[6]O[6]O)(CC)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(C[6]O[6]O)(CC){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	106.3820	0.000	1	106.3820	0.000	1	106.3820	0.000	1	108.0030	1.519	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]N[6]N)(CN)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|N<2>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]N[6]N)(CN){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]O)	109.0970	0.000	1	109.0970	0.000	1	109.0970	0.000	1	108.0030	1.519	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(OH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(OH){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	107.8040	0.000	1	107.8040	0.000	1	107.8040	0.000	1	108.0030	1.519	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C[6]-3:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(OH)(H)	C[6,6](C[6]C[6]HH)(C[6]C[6]HO)(C[6]C[6]O)(O[6]C[6])	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(OH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[6]HH)(C[6]C[6]HO)(C[6]C[6]O)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]O)	107.2370	0.448	2	107.2370	0.201	2	107.2370	0.201	2	108.0030	1.519	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(CC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(C[6]C[6]O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(CC)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	107.9090	0.000	1	107.9090	0.000	1	107.9090	0.000	1	108.8437	0.395	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HO)(C[6]C[6]H)(COO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HO)(C[6]C[6]H)(COO){1|S<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]O)	108.4770	0.000	1	108.4770	0.000	1	108.4770	0.000	1	108.8437	0.395	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C[6]-3:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(OC)(H)	C[6,6](C[6]C[6]HH)(C[6]C[6]HO)(C[6]C[6]O)(N[6]C[6]S)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(OC)(H){1|O<1>,1|S<4>,3|C<4>,4|H<1>}	C[6,6](C[6]C[6]HH)(C[6]C[6]HO)(C[6]C[6]O)(N[6]C[6]S){2|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]O)	109.3677	0.188	3	109.3677	0.036	3	109.1690	0.182	4	108.8437	0.395	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C[6]-3:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(OH)(H)	C[6,6](C[6]C[6]HH)(C[6]C[6]HO)(C[6]C[6]O)(N[6]C[6]S)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(OH)(H){1|O<1>,1|O<2>,1|S<4>,3|C<4>,3|H<1>}	C[6,6](C[6]C[6]HH)(C[6]C[6]HO)(C[6]C[6]O)(N[6]C[6]S){2|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]O)	108.5730	0.000	1	108.5730	0.000	1	109.1690	0.182	4	108.8437	0.395	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6,6]CH)(OH)(H)	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HO)(C[6]C[6]O)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6,6]CH)(OH)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HO)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	106.9315	0.166	2	106.9315	0.028	2	107.3180	0.462	3	108.4412	1.008	14	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HO)(C[6]O[6]O)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(OH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HO)(C[6]O[6]O)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	108.0910	0.000	1	108.0910	0.000	1	107.3180	0.462	3	108.4412	1.008	14	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(OC)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HO)(C[6]C[6]H)(CCHH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(OC)(H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HO)(C[6]C[6]H)(CCHH){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]O)	107.9633	0.295	4	107.9633	0.087	4	107.9633	0.087	4	108.4412	1.008	14	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]C)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]C)(CH3){1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	109.8290	0.000	1	109.8290	0.000	1	109.1957	0.538	7	108.4412	1.008	14	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(OH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(C[6]O[6]O)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(OH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(C[6]O[6]O)(CH3){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	109.5790	0.000	1	109.5790	0.000	1	109.1957	0.538	7	108.4412	1.008	14	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]O)(CCHH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|H<1>,2|O<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]O)	109.1145	0.028	2	109.1145	0.001	2	109.1957	0.538	7	108.4412	1.008	14	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]C)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]C)(CH3){4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	107.9470	0.000	1	107.9470	0.000	1	109.1957	0.538	7	108.4412	1.008	14	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OSi)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]H)(CH3){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	108.6750	0.000	1	108.6750	0.000	1	109.1957	0.538	7	108.4412	1.008	14	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]C)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]C)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	110.1110	0.000	1	110.1110	0.000	1	109.1957	0.538	7	108.4412	1.008	14	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[3,6,6]-4:C[6,6]-4:O-2:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6]2C[6])(C[6,6]C[6,6]C[6]H)(OC)(H)	C[6,6](C[6]C[3,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[3,6,6]C[6,6]O)	C[6](C[3,6,6]C[3,6]2C[6])(C[6,6]C[6,6]C[6]H)(OC)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6]C[3,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[3,6,6]C[6,6]O)	107.9890	0.000	1	107.9890	0.000	1	107.9890	0.000	1	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6,6]C[6]H)(OC)(H)	C[6,6](C[6]C[5,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	H(C[6]C[5,6,6]C[6,6]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6,6]C[6]H)(OC)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6]C[5,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6,6]C[6,6]O)	109.8690	0.000	1	109.8690	0.000	1	109.8690	0.000	1	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[3,5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(OH)(H)	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6,6]O)	C[6](C[5,6]C[3,5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(OH)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6]HH)(H){3|C<4>,3|O<2>,4|H<1>}	H(C[6]C[5,6]C[6,6]O)	109.0950	0.000	1	109.0950	0.000	1	109.2597	1.151	4	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6]CC)(H)	H(C[6]C[5,6]C[6,6]O)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H){1|C<3>,1|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6]CC)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[5,6]C[6,6]O)	110.4180	0.000	1	110.4180	0.000	1	109.2597	1.151	4	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[5,6]HO)(H)	H(C[6]C[5,6]C[6,6]O)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H){3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[5,6]HO)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6,6]O)	109.6550	0.000	1	109.6550	0.000	1	109.2597	1.151	4	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HO)(C[6]C[6]CO)(H)	H(C[6]C[5,6]C[6,6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H){1|H<1>,2|C<3>,2|O<2>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HO)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6]C[5,6]C[6,6]O)	107.8710	0.000	1	107.8710	0.000	1	109.2597	1.151	4	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:S-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]S)(C[6,6]C[6,6]C[6]H)(SC)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[5,6]HS)(H)	H(C[6]C[5,6]C[6,6]S)	C[6](C[5,6]O[5,6]C[5]S)(C[6,6]C[6,6]C[6]H)(SC)(H){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[5,6]HS)(H){1|O<2>,2|H<1>,3|S<2>,4|C<4>}	H(C[6]C[5,6]C[6,6]S)	107.7690	0.000	1	107.7690	0.000	1	107.7690	0.000	1	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[3]-4:O[6]-2:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[3]C[3]2H)(O[6]C[6])(H)	C[6,6](C[6]C[3]O[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[3]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[3]C[3]2H)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6]C[3]O[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[3]O[6])	108.4020	0.085	2	108.4020	0.007	2	108.4020	0.007	2	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:O-2:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[5,6]C[5,6]O[5]O)(OH)(H)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H)	H(C[6]C[5,6]C[6,6]O)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[5,6]C[5,6]O[5]O)(OH)(H){1|O<2>,2|C<3>,5|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	H(C[6]C[5,6]C[6,6]O)	106.8840	0.000	1	106.8840	0.000	1	106.8840	0.000	1	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]O[5]H)(OH)(H)	C[6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H)	H(C[6]C[5,6]C[6,6]O)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]O[5]H)(OH)(H){1|O<2>,2|C<3>,6|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H){1|O<1>,2|C<3>,3|C<4>,3|O<2>,6|H<1>}	H(C[6]C[5,6]C[6,6]O)	106.9620	0.000	1	106.9265	0.003	2	106.9265	0.003	2	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]O[5]H)(OH)(H)	C[6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H)	H(C[6]C[5,6]C[6,6]O)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]O[5]H)(OH)(H){1|O<2>,2|C<3>,6|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H){1|O<1>,2|C<4>,3|C<3>,3|O<2>,6|H<1>}	H(C[6]C[5,6]C[6,6]O)	106.8910	0.000	1	106.9265	0.003	2	106.9265	0.003	2	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6,6]C[6,6]O[6]H)(OH)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(H)	H(C[6]C[6,6]2O)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6,6]C[6,6]O[6]H)(OH)(H){1|C<3>,1|H<1>,7|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(H){1|C<3>,3|H<1>,4|C<4>,5|O<2>}	H(C[6]C[6,6]2O)	109.1680	0.000	1	109.1680	0.000	1	109.1680	0.000	1	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(C[6]C[6]CC)(H)	H(C[6]C[6,6]2O)	C[6](C[6,6]C[3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(OH)(H){1|C<3>,1|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(C[6]C[6]CC)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]2O)	109.0990	0.000	1	109.0990	0.000	1	108.1900	0.629	3	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)2(OH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HO)(C[6]C[6]HN)(H)	H(C[6]C[6,6]2O)	C[6](C[6,6]C[6,6]C[6]H)2(OH)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HO)(C[6]C[6]HN)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	H(C[6]C[6,6]2O)	107.7355	0.139	2	107.7355	0.019	2	108.1900	0.629	3	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC)(H){1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	107.8610	0.000	1	107.8610	0.000	1	107.8610	0.000	1	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:N-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(NN)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(NN)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HN)(H){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]N)	108.0980	0.000	1	108.0980	0.000	1	108.0980	0.000	1	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]CH)(OSi)(H)	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[5,6]C[6]O)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]CH)(OSi)(H){2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[5,6]C[6]O)(C[6]C[6]HO)(H){2|C<3>,3|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]O)	109.0220	0.000	1	109.0220	0.000	1	108.9380	0.014	2	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	108.8540	0.000	1	108.8540	0.000	1	108.9380	0.014	2	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]HO)(OH)(H)	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]HO)(OH)(H){4|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|N<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	107.0080	0.000	1	107.0080	0.000	1	108.3739	2.961	7	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|O<2>,7|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]O)	108.0520	0.000	1	108.0520	0.000	1	108.3739	2.961	7	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	109.6403	0.215	3	109.6403	0.046	3	108.3739	2.961	7	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	105.2370	0.000	1	105.2370	0.000	1	108.3739	2.961	7	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	109.3990	0.000	1	109.3990	0.000	1	108.3739	2.961	7	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[4,3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[4,3x6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[4,3x6]C[4,6,6]N[6,6]C[4])(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[4,3x6]C[6]H)(C[6]C[6]HH)(OC)(H){1|N<3>,3|C<4>,4|H<1>}	C[6,6](C[4,3x6]C[4,6,6]N[6,6]C[4])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	107.1110	0.000	1	107.1110	0.000	1	107.1110	0.000	1	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[5,6]HO)(OH)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[5,6]HO)(OH)(H){1|O<2>,2|C<3>,5|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H){3|C<3>,3|C<4>,3|O<2>,6|H<1>}	H(C[6]C[6,6]C[6]O)	108.7240	0.000	1	108.7240	0.000	1	108.0280	0.969	2	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[5,6]HO)(OH)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[5,6]HO)(OH)(H){1|C<3>,1|O<2>,6|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){2|C<3>,3|C<4>,3|O<2>,8|H<1>}	H(C[6]C[6,6]C[6]O)	107.3320	0.000	1	107.3320	0.000	1	108.0280	0.969	2	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OC)(H)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OC)(H){1|H<1>,3|C<3>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<3>,2|O<1>,3|O<2>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]O)	108.2320	0.000	1	108.2260	0.010	3	108.4476	0.439	8	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OC)(H)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OC)(H){1|H<1>,3|C<3>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H){2|C<3>,2|O<1>,3|C<4>,3|O<2>,7|H<1>}	H(C[6]C[6,6]C[6]O)	108.2230	0.144	2	108.2260	0.010	3	108.4476	0.439	8	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<3>,2|O<1>,3|O<2>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]O)	108.4990	0.151	2	108.5806	0.704	5	108.4476	0.439	8	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,3|C<3>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<3>,2|O<1>,2|O<2>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]O)	107.9130	0.000	1	108.5806	0.704	5	108.4476	0.439	8	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,3|C<3>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H){2|C<3>,2|O<1>,3|C<4>,3|O<2>,7|H<1>}	H(C[6]C[6,6]C[6]O)	108.9960	1.410	2	108.5806	0.704	5	108.4476	0.439	8	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OC)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OC)(H){1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,3|O<2>,4|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]O)	109.7720	0.000	1	109.7720	0.000	1	109.0916	0.758	70	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]2)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]2)(C[6]C[6]HO)(H){10|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]O)	108.2975	0.118	2	108.3575	0.025	4	109.0916	0.758	70	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]2)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,3|C<3>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]2)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,2|O<1>,3|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]O)	108.4175	0.218	2	108.3575	0.025	4	109.0916	0.758	70	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){10|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]O)	108.0480	0.000	1	107.1190	1.726	2	109.0916	0.758	70	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]O)	106.1900	0.000	1	107.1190	1.726	2	109.0916	0.758	70	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){3|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]O)	109.1858	0.811	61	109.1900	0.637	63	109.0916	0.758	70	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){3|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	109.3470	0.000	1	109.1900	0.637	63	109.0916	0.758	70	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H){1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|N<2>,3|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	109.2910	0.000	1	109.1900	0.637	63	109.0916	0.758	70	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]O)	107.9320	0.000	1	107.9320	0.000	1	107.9683	1.779	7	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	109.0040	0.259	2	109.0040	0.067	2	107.9683	1.779	7	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|N<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]O)	105.2520	0.000	1	107.1165	6.953	2	107.9683	1.779	7	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|N<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]O)	108.9810	0.000	1	107.1165	6.953	2	107.9683	1.779	7	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	107.8025	0.064	2	107.8025	0.004	2	107.9683	1.779	7	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H){2|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|O<2>,5|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]O)	109.6920	0.000	1	109.6920	0.000	1	108.2866	0.938	101	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){6|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]O)	108.9130	0.405	4	108.9130	0.164	4	108.2866	0.938	101	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){5|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]O)	112.4670	0.000	1	108.2193	0.935	93	108.2866	0.938	101	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	108.4300	0.082	2	108.2193	0.935	93	108.2866	0.938	101	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){6|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]O)	108.1674	0.872	90	108.2193	0.935	93	108.2866	0.938	101	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HN)(OH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HN)(OH)(H){3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|C<3>,1|N<2>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]O)	108.9860	0.000	1	108.9860	0.000	1	108.2866	0.938	101	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(OC)(H)	C[6,6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|O<2>,5|C<4>}	C[6,6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	109.9690	0.000	1	109.9690	0.000	1	108.2866	0.938	101	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(OH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,3|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]O)	108.2510	0.000	1	108.2510	0.000	1	108.2866	0.938	101	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[3x6]C[6,6]2C)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(OC)(H){2|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[3x6]C[6,6]2C)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	109.0700	0.000	1	109.0700	0.000	1	109.0700	0.000	1	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(OC)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[5,6]C[5]2C[6])(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[5,6]C[5]2C[6])(C[6]C[6]HO)(H){1|C<3>,2|O<2>,5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]O)	107.6240	0.000	1	107.6240	0.000	1	108.3972	0.308	4	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(OH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H){3|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	108.6550	0.251	3	108.6550	0.063	3	108.3972	0.308	4	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:Br-1:	C[6]-4:	C[6](C[6,6]C[6,6]2Br)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(Br)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2Br)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(Br){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	107.8010	0.000	1	107.6700	0.034	2	107.6700	0.034	2	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:Br-1:	C[6]-4:	C[6](C[6,6]C[6,6]2Br)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(Br)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2Br)(C[6]C[5,6]HH)(OH)(H){1|H<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(Br){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	107.5390	0.000	1	107.6700	0.034	2	107.6700	0.034	2	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:Cl-1:	C[6]-4:	C[6](C[6,6]C[6,6]2Cl)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(Cl)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2Cl)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(Cl){5|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]O)	107.9550	0.000	1	107.8793	0.101	7	107.8793	0.101	7	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:Cl-1:	C[6]-4:	C[6](C[6,6]C[6,6]2Cl)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(Cl)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2Cl)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(Cl){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	107.8667	0.347	6	107.8793	0.101	7	107.8793	0.101	7	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:F-1:	C[6]-4:	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(OC)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(F)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(OC)(H){1|H<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(F){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	108.2050	0.000	1	108.2050	0.000	1	107.5879	0.294	8	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:F-1:	C[6]-4:	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(F)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(F){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	107.4997	0.521	7	107.4997	0.271	7	107.5879	0.294	8	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]O)	109.4960	0.396	2	109.3987	0.107	3	108.1543	0.999	37	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H){1|H<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|O<1>,2|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	109.2040	0.000	1	109.3987	0.107	3	108.1543	0.999	37	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H){2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	110.0940	0.000	1	110.0940	0.000	1	108.1543	0.999	37	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){3|C<3>,5|C<4>}	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	108.6070	0.000	1	108.6070	0.000	1	108.1543	0.999	37	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]O)	107.8147	0.654	3	107.9580	0.367	4	108.1543	0.999	37	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){6|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]O)	108.3880	0.000	1	107.9580	0.367	4	108.1543	0.999	37	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	106.8800	0.344	2	107.7780	0.824	20	108.1543	0.999	37	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]O)	107.6370	0.593	6	107.7780	0.824	20	108.1543	0.999	37	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]O)	108.4740	0.000	1	107.7780	0.824	20	108.1543	0.999	37	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	108.3470	0.000	1	107.7780	0.824	20	108.1543	0.999	37	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	107.9406	1.166	7	107.7780	0.824	20	108.1543	0.999	37	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	109.1550	0.000	1	107.7780	0.824	20	108.1543	0.999	37	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|O<2>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	106.7940	0.000	1	107.7780	0.824	20	108.1543	0.999	37	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){2|O<2>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	107.6240	0.000	1	107.7780	0.824	20	108.1543	0.999	37	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OS)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OS)(H){1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]O)	109.4255	0.090	2	109.4255	0.008	2	108.1543	0.999	37	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]O)	108.6100	0.000	1	107.6175	1.970	2	108.1543	0.999	37	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	106.6250	0.000	1	107.6175	1.970	2	108.1543	0.999	37	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(OH)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HO)(H){6|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]O)	107.8590	0.000	1	107.8590	0.000	1	108.1543	0.999	37	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OC)(H){1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]O)	109.3500	0.000	1	109.3500	0.000	1	108.1543	0.999	37	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HO)(H){1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	107.8690	0.000	1	107.8690	0.000	1	108.1543	0.999	37	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]2O[6])(C[6,6]C[6]2C)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H){1|C<2>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2O[6])(C[6,6]C[6]2C)(C[6]C[6]HO)(H){1|C<3>,1|N<2>,2|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]O)	108.2560	0.000	1	108.2560	0.000	1	108.1543	0.999	37	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:Cl-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(Cl)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(Cl){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	108.4185	0.108	2	108.4185	0.012	2	108.4185	0.012	2	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(OC)(H){1|C<3>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	109.0123	0.271	3	109.0123	0.074	3	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OC)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OC)(H){2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	109.0760	0.000	1	109.0760	0.000	1	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	109.3435	0.151	2	109.3435	0.023	2	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OS)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OS)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	109.4020	0.000	1	109.4020	0.000	1	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(OH)(H){1|C<3>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	108.0020	0.000	1	107.6305	0.276	2	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(OH)(H){8|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	107.2590	0.000	1	107.6305	0.276	2	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O[6]O)(OH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O[6]O)(OH)(H){1|H<1>,4|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]O)	107.5150	0.000	1	107.5150	0.000	1	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H){8|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	109.7515	0.560	4	109.7515	0.313	4	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|Br<1>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	108.9520	0.000	1	108.9520	0.000	1	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	109.1360	0.641	2	109.1360	0.410	2	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	109.2120	0.000	1	108.5426	1.235	7	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	109.3950	0.000	1	108.5426	1.235	7	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H){8|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	108.2382	1.201	5	108.5426	1.235	7	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	108.4590	0.000	1	108.3775	0.460	4	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	108.3503	0.828	3	108.3775	0.460	4	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){1|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	110.3510	0.000	1	109.3622	0.542	6	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){1|O<2>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]O)	108.2850	0.000	1	109.3622	0.542	6	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){2|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	109.5683	0.287	3	109.3622	0.542	6	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){3|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	108.8320	0.000	1	109.3622	0.542	6	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	109.2705	0.168	2	109.2705	0.028	2	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	108.9055	0.487	2	108.9737	0.133	3	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	109.1100	0.000	1	108.9737	0.133	3	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	108.6843	0.603	3	108.9050	0.437	4	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){3|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	109.5670	0.000	1	108.9050	0.437	4	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)2(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)2(H){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	108.7390	0.000	1	108.7390	0.000	1	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	108.7150	0.000	1	108.2920	0.144	3	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	108.0805	0.138	2	108.2920	0.144	3	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CO)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CO)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	108.3190	0.000	1	108.3190	0.000	1	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]O)	109.4960	0.000	1	109.4960	0.000	1	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]O)	110.3560	0.000	1	110.3560	0.000	1	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HO)(H){5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	107.5010	0.000	1	107.5010	0.000	1	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OS)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OS)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]O)	110.5530	0.000	1	110.4950	0.006	3	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OS)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OS)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	110.4660	0.089	2	110.4950	0.006	3	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HO)2(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HO)2(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	108.9920	0.000	1	108.9920	0.000	1	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]O)	110.0040	0.000	1	110.1455	0.040	2	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){2|C<4>,2|O<2>,6|H<1>}	H(C[6]C[6,6]C[6]O)	110.2870	0.000	1	110.1455	0.040	2	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	110.4790	0.000	1	110.4790	0.000	1	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|N<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	110.4800	0.000	1	109.9590	0.543	2	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	109.4380	0.000	1	109.9590	0.543	2	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]O)	109.4260	0.000	1	109.4405	0.000	2	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	109.4550	0.000	1	109.4405	0.000	2	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|S<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	109.4680	0.000	1	109.4680	0.000	1	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HO)(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	107.1900	0.052	2	107.1900	0.003	2	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	107.0920	0.625	2	107.0920	0.391	2	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|O<2>,7|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]O)	107.7390	0.000	1	107.7390	0.000	1	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OS)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OS)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	110.6130	0.000	1	110.6130	0.000	1	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OSi)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OSi)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]O)	108.1645	0.084	2	108.1645	0.007	2	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	109.5265	0.713	2	109.5265	0.509	2	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){1|H<1>,7|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HO)(H){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	109.3050	0.175	2	109.3050	0.031	2	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HO)(H){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]O)	108.9240	0.000	1	108.9240	0.000	1	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	108.4007	0.592	3	108.4007	0.351	3	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)2(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)2(H){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	109.3440	0.000	1	109.3440	0.000	1	108.9619	0.907	80	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:S[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]S[6]H)(C[6]O[6]CH)(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(S[6]C[6]OO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]S[6]H)(C[6]O[6]CH)(OH)(H){1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(S[6]C[6]OO)(H){2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]O)	110.0505	0.371	2	110.0505	0.138	2	110.0505	0.138	2	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OH)(H)	C[6,6](C[6]C[5,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6]C[5,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|C<3>,2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]O)	108.1030	0.000	1	108.1030	0.000	1	108.7616	0.287	5	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	C[6,6](C[6]C[5,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6]C[5,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]O)	109.4060	0.000	1	109.4060	0.000	1	108.7616	0.287	5	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]O)	109.2120	0.000	1	108.7663	0.149	3	108.7616	0.287	5	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	108.5435	0.022	2	108.7663	0.149	3	108.7616	0.287	5	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:S-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(SC)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)(H)	H(C[6]C[6,6]C[6]S)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(SC)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]S)	108.2558	0.405	5	108.2558	0.164	5	108.2558	0.164	5	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:S-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(SC[6a])(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HS)(H)	H(C[6]C[6,6]C[6]S)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(SC[6a])(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HS)(H){2|C<4>,2|O<2>,6|H<1>}	H(C[6]C[6,6]C[6]S)	108.6250	0.000	1	108.6250	0.000	1	108.6250	0.000	1	108.5661	1.032	370	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6]C[6,6]2O)(OC)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(OH)	H(C[6]C[5,6,6]C[6,6]O)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6]C[6,6]2O)(OC)(H){2|O<2>,3|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(OH){1|C<3>,5|H<1>,7|C<4>}	H(C[6]C[5,6,6]C[6,6]O)	108.8990	0.000	1	108.8990	0.000	1	108.8990	0.000	1	108.4642	1.373	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[5,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O[6])(C[5,6]C[6,6a]O[5]2)(OC)(H)	C[6,6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[5,6]HO)(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[5,6]C[6,6]O)	C[6](C[6,6]C[6,6]C[6]O[6])(C[5,6]C[6,6a]O[5]2)(OC)(H){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[5,6]HO)(C[6]C[6]HH)(O[6]C[6]){1|Si<4>,2|C<4>,2|O<2>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6,6]O)	107.2430	0.000	1	107.2430	0.000	1	107.2430	0.000	1	108.4642	1.373	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(OH)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	106.8760	0.000	1	106.8760	0.000	1	106.8760	0.000	1	108.4642	1.373	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(OH)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	109.2210	0.253	2	109.2210	0.064	2	109.2210	0.064	2	108.4642	1.373	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(OH)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC){1|N<3>,3|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	106.2220	0.110	2	106.2697	0.013	3	106.3072	0.014	4	108.4642	1.373	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(OH)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC){1|N<3>,4|C<4>,4|H<1>,4|O<2>}	H(C[6]C[6,6]C[6]O)	106.3650	0.000	1	106.2697	0.013	3	106.3072	0.014	4	108.4642	1.373	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(OH)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OH){1|N<4>,3|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	106.4200	0.000	1	106.4200	0.000	1	106.3072	0.014	4	108.4642	1.373	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH){2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	107.8100	0.000	1	107.8100	0.000	1	107.8100	0.000	1	108.4642	1.373	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]HH)(OH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]O)	106.8330	0.000	1	106.8330	0.000	1	108.7043	1.187	36	108.4642	1.373	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]HO)(OC)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]HO)(OC)(H){1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	110.1535	0.117	2	110.1535	0.014	2	108.7043	1.187	36	108.4642	1.373	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OC)(H){1|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]O)	108.0800	0.000	1	108.0800	0.000	1	108.7043	1.187	36	108.4642	1.373	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	107.9175	0.447	4	107.9175	0.200	4	108.7043	1.187	36	108.4642	1.373	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HO)(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HO)(C[6]C[6]HO)(OH){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]O)	112.1680	0.000	1	112.1680	0.000	1	108.7043	1.187	36	108.4642	1.373	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(ON)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(ON)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	108.4880	0.412	2	108.4880	0.169	2	108.7043	1.187	36	108.4642	1.373	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H){1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	108.8810	0.000	1	109.3677	0.512	6	108.7043	1.187	36	108.4642	1.373	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H){1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	108.6900	0.000	1	109.3677	0.512	6	108.7043	1.187	36	108.4642	1.373	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H){1|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	108.7950	0.000	1	109.3677	0.512	6	108.7043	1.187	36	108.4642	1.373	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H){1|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	109.9467	0.515	3	109.3677	0.512	6	108.7043	1.187	36	108.4642	1.373	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]HO)(OC)(H)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]HO)(OC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]O)	108.7660	0.000	1	108.7660	0.000	1	108.7043	1.187	36	108.4642	1.373	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]FF)(OH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]FF)(OH)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){2|C<4>,2|F<1>,6|H<1>}	H(C[6]C[6,6]C[6]O)	109.2665	0.114	2	109.2665	0.013	2	108.7043	1.187	36	108.4642	1.373	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]O)	108.5270	0.000	1	108.2210	0.187	2	108.7043	1.187	36	108.4642	1.373	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OH){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]O)	107.9150	0.000	1	108.2210	0.187	2	108.7043	1.187	36	108.4642	1.373	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OO){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	108.5580	0.000	1	108.5580	0.000	1	108.7043	1.187	36	108.4642	1.373	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HO)(OH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]O)	109.5520	0.000	1	109.5520	0.000	1	108.7043	1.187	36	108.4642	1.373	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H){2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(OH){2|C<4>,2|O<2>,6|H<1>}	H(C[6]C[6,6]C[6]O)	108.2898	0.821	9	108.2898	0.674	9	108.7043	1.187	36	108.4642	1.373	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H){1|C<2>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){2|C<4>,3|H<1>,3|O<2>}	H(C[6]C[6,6]C[6]O)	107.4850	0.048	2	107.4850	0.002	2	108.7043	1.187	36	108.4642	1.373	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]N[6]HH)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]N[6]HH)(OH){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]O)	109.6860	0.000	1	109.6860	0.000	1	108.7043	1.187	36	108.4642	1.373	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6]C[5,5,6,6]HH)(C[6,6]C[6]2C)(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OC)(H){4|C<4>,4|H<1>}	C[6,6](C[6]C[5,5,6,6]HH)(C[6,6]C[6]2C)(C[6]C[6]HO)(OH){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	109.0870	0.000	1	109.0870	0.000	1	109.0870	0.000	1	108.4642	1.373	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(OH)(H)	C[6,6](C[6]C[6]HH)2(C[6]C[6]HO)(O[6]C[6])	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6]C[6]HH)2(C[6]C[6]HO)(O[6]C[6]){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	108.8500	0.000	1	108.9880	0.043	3	108.9880	0.043	3	108.4642	1.373	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(OH)(H)	C[6,6](C[6]C[6]HH)2(C[6]C[6]HO)(O[6]C[6])	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6]C[6]HH)2(C[6]C[6]HO)(O[6]C[6]){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	109.0570	0.238	2	108.9880	0.043	3	108.9880	0.043	3	108.4642	1.373	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:S-2:H-1:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]N[6]CH)(SC[6a])(H)	C[6,6](C[6]C[6]HH)2(C[6]C[6]HS)(O[6]C[6])	H(C[6]C[6,6]C[6]S)	C[6](C[6,6]C[6]2O[6])(C[6]N[6]CH)(SC[6a])(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6]C[6]HH)2(C[6]C[6]HS)(O[6]C[6]){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]S)	108.1165	0.592	2	108.1165	0.350	2	108.1165	0.350	2	108.4642	1.373	52	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CHO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CHO){4|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]O)	109.1870	0.000	1	109.1870	0.000	1	109.1870	0.000	1	108.5520	0.592	5	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(NCH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(NCH){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	108.1270	0.000	1	108.1270	0.000	1	108.8310	0.991	2	108.5520	0.592	5	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(NOO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HH)(OH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(NOO){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]O)	109.5350	0.000	1	109.5350	0.000	1	108.8310	0.991	2	108.5520	0.592	5	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6]C[6,6a]HO)(C[6]C[6]HH)(C[6]C[6]HO)(C[6]C[6]C)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6,6](C[6]C[6,6a]HO)(C[6]C[6]HH)(C[6]C[6]HO)(C[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]O)	107.7240	0.000	1	107.7240	0.000	1	107.9555	0.107	2	108.5520	0.592	5	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6]C[6]HH)2(C[6]C[6]HO)(C[6]C[6]H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6]3)(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6]C[6]HH)2(C[6]C[6]HO)(C[6]C[6]H){1|Cl<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	108.1870	0.000	1	108.1870	0.000	1	107.9555	0.107	2	108.5520	0.592	5	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(OC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)	H(C[6]C[5,6]C[6,6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(OC)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]HO)(CH3){3|C<4>,3|O<2>,4|H<1>}	H(C[6]C[5,6]C[6,6]O)	109.4960	0.000	1	109.4960	0.000	1	109.4960	0.000	1	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5,6]O[5]H)(OH)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[5,6]HO)(C[6]C[6]HH)(CCHH)	H(C[6]C[5,6]C[6,6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5,6]O[5]H)(OH)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[5,6]HO)(C[6]C[6]HH)(CCHH){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6,6]O)	107.6832	0.500	5	107.6832	0.250	5	107.6832	0.250	5	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3,3x6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,3x6]C[6]2)(C[6]C[6]HH)(OSi)(H)	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(C[6]O[6]HH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3,3x6]C[6]2)(C[6]C[6]HH)(OSi)(H){1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(C[6]O[6]HH){1|C<3>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]O)	107.8090	0.000	1	107.8090	0.000	1	107.8090	0.000	1	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H)	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]O)	109.2460	0.000	1	109.5040	0.133	2	109.5040	0.133	2	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H)	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	109.7620	0.000	1	109.5040	0.133	2	109.5040	0.133	2	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){2|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	109.8320	0.000	1	109.8320	0.000	1	109.1515	0.199	6	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){1|C<3>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]O)	108.7430	0.000	1	108.9147	0.079	4	109.1515	0.199	6	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){2|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	108.9720	0.315	3	108.9147	0.079	4	109.1515	0.199	6	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	109.4180	0.000	1	109.4180	0.000	1	109.1515	0.199	6	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HO)(CH3){3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	108.7180	0.000	1	108.7180	0.000	1	108.3945	0.209	2	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	108.0710	0.000	1	108.0710	0.000	1	108.3945	0.209	2	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO){1|O<2>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]O)	108.9810	0.000	1	107.9515	2.120	2	108.0673	1.100	3	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO){4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]O)	106.9220	0.000	1	107.9515	2.120	2	108.0673	1.100	3	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO){1|O<2>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]O)	108.2990	0.000	1	108.2990	0.000	1	108.0673	1.100	3	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	108.0800	0.000	1	108.0800	0.000	1	108.0800	0.000	1	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[4,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[4,6,6]C[3,4,6]C[4]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	C[6,6](C[4,6,6]C[3,4,6]C[4]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3){3|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]O)	107.5010	0.000	1	107.5010	0.000	1	107.5010	0.000	1	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HO)(OH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HO)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|C<3>,3|H<1>,3|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]O)	108.7150	0.000	1	108.7150	0.000	1	108.7150	0.000	1	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(OC)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCHH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(OC)(H){2|C<4>,2|N<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCHH){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]O)	107.4530	0.303	2	107.3667	0.058	4	107.9085	0.714	43	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(OC)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCHH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(OC)(H){2|C<4>,2|N<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCHH){1|H<1>,1|I<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]O)	107.2805	0.230	2	107.3667	0.058	4	107.9085	0.714	43	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(OC)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HO)(CHHO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(OC)(H){1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HO)(CHHO){1|C<3>,1|N<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	108.3960	0.000	1	108.3960	0.000	1	107.9085	0.714	43	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(OC)(H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO){1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	108.0100	0.000	1	108.0100	0.000	1	107.9085	0.714	43	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CH3){3|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	107.2970	0.902	2	107.2970	0.814	2	107.9085	0.714	43	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO){2|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	106.4915	0.293	2	107.5865	0.886	8	107.9085	0.714	43	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO){3|H<1>,4|C<4>,4|O<2>}	H(C[6]C[6,6]C[6]O)	108.2177	0.649	3	107.5865	0.886	8	107.9085	0.714	43	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO){3|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	107.6853	0.909	3	107.5865	0.886	8	107.9085	0.714	43	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[5,6]CH)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	108.7417	0.211	3	108.7417	0.045	3	107.9085	0.714	43	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	108.9080	0.375	2	108.9080	0.140	2	107.9085	0.714	43	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO){2|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	108.8670	0.054	2	108.5117	0.380	3	107.9085	0.714	43	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO){3|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	107.8010	0.000	1	108.5117	0.380	3	107.9085	0.714	43	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO){1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	107.5642	0.917	5	107.7382	0.855	6	107.9085	0.714	43	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|N<4>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO){1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	108.6080	0.000	1	107.7382	0.855	6	107.9085	0.714	43	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO){4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	109.0960	0.000	1	109.0960	0.000	1	107.9085	0.714	43	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	107.4570	0.000	1	107.6907	0.042	3	107.9085	0.714	43	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3){4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]O)	107.8075	0.045	2	107.6907	0.042	3	107.9085	0.714	43	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CH3){3|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	109.4360	0.427	2	109.4360	0.182	2	107.9085	0.714	43	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO){1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	107.4290	0.000	1	107.4190	0.187	6	107.9085	0.714	43	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO){3|H<1>,4|C<4>,4|O<2>}	H(C[6]C[6,6]C[6]O)	107.3293	0.657	3	107.4190	0.187	6	107.9085	0.714	43	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO){3|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	107.5485	0.122	2	107.4190	0.187	6	107.9085	0.714	43	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OH)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCHH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCHH){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]O)	107.3490	0.000	1	107.3490	0.000	1	107.9085	0.714	43	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	108.2730	0.000	1	108.2730	0.000	1	107.9058	3.293	6	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3){1|O<2>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	109.1010	0.058	2	109.1010	0.003	2	107.9058	3.293	6	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|C<3>,1|O<1>,1|O<2>,3|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]O)	108.6960	0.000	1	108.3190	0.284	2	107.9058	3.293	6	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,3|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]O)	107.9420	0.000	1	108.3190	0.284	2	107.9058	3.293	6	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(OH)(H)	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HO)(CHHO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HO)(CHHO){1|C<3>,3|C<4>,3|H<1>,3|O<2>}	H(C[6]C[6,6]C[6]O)	104.3220	0.000	1	104.3220	0.000	1	107.9058	3.293	6	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(OC)(H)	C[6,6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)2(C[6]C[6]HO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)2(C[6]C[6]HO){1|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]O)	113.7790	0.000	1	113.7790	0.000	1	113.7790	0.000	1	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(OC)(H){1|H<1>,1|O<2>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	107.3460	0.000	1	107.3460	0.000	1	108.3383	0.773	14	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO){1|O<1>,4|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]O)	108.9820	0.000	1	108.9820	0.000	1	108.3383	0.773	14	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){6|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]O)	109.0970	0.000	1	109.0970	0.000	1	108.3383	0.773	14	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	108.5590	0.000	1	108.7090	0.107	3	108.3383	0.773	14	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3){1|O<2>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	108.7840	0.426	2	108.7090	0.107	3	108.3383	0.773	14	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|C<3>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	108.0070	0.000	1	108.0070	0.000	1	108.3383	0.773	14	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<1>,2|O<2>,3|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]O)	108.6960	0.000	1	108.7193	0.209	4	108.3383	0.773	14	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	109.2230	0.000	1	108.7193	0.209	4	108.3383	0.773	14	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){4|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]O)	108.8370	0.000	1	108.7193	0.209	4	108.3383	0.773	14	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){2|O<2>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]O)	108.1210	0.000	1	108.7193	0.209	4	108.3383	0.773	14	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3){1|O<2>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	105.8840	0.000	1	105.8840	0.000	1	108.3383	0.773	14	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){2|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	108.0110	0.000	1	108.0110	0.000	1	108.3383	0.773	14	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	108.4050	0.000	1	108.4050	0.000	1	108.3383	0.773	14	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(OH)(H)	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	107.2180	0.000	1	107.2180	0.000	1	108.4894	1.682	30	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]O)	110.4330	0.000	1	110.4330	0.000	1	108.4894	1.682	30	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OC)(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	107.6930	1.225	2	107.6930	1.500	2	108.4894	1.682	30	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(OS)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(OS)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	108.9810	0.086	2	108.9810	0.007	2	108.4894	1.682	30	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]O)	113.7480	0.000	1	113.7480	0.000	1	108.4894	1.682	30	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]O)	106.2580	0.000	1	106.2580	0.000	1	108.4894	1.682	30	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]HO)(CH3){3|C<4>,3|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]O)	108.6210	0.000	1	108.6210	0.000	1	108.4894	1.682	30	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	108.5540	0.000	1	108.5233	0.002	4	108.4894	1.682	30	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	108.5300	0.047	2	108.5233	0.002	4	108.4894	1.682	30	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	108.4790	0.000	1	108.5233	0.002	4	108.4894	1.682	30	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CHHO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CHHO){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	107.7790	0.000	1	107.7790	0.000	1	108.4894	1.682	30	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|Br<1>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){2|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]O)	108.1120	0.000	1	108.6820	0.246	3	108.4894	1.682	30	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	108.9670	0.068	2	108.6820	0.246	3	108.4894	1.682	30	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]O)	108.3780	0.000	1	108.3780	0.000	1	108.4894	1.682	30	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	107.7200	0.313	2	107.9963	0.278	3	108.4894	1.682	30	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	108.5490	0.000	1	107.9963	0.278	3	108.4894	1.682	30	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	108.1070	0.670	5	108.0690	0.368	6	108.4894	1.682	30	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]O)	107.8790	0.000	1	108.0690	0.368	6	108.4894	1.682	30	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	107.8260	0.000	1	107.8260	0.000	1	108.4894	1.682	30	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	108.7640	0.000	1	108.7640	0.000	1	108.4894	1.682	30	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(OC)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	109.7660	0.000	1	109.7660	0.000	1	108.4894	1.682	30	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(C[6]O[6]HH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(OC)(H){1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(C[6]O[6]HH){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]O)	107.6960	0.000	1	107.6960	0.000	1	107.6960	0.000	1	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]C[6]HO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]C[6]HO){1|O<2>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]O)	108.8780	0.000	1	108.8780	0.000	1	108.8780	0.000	1	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:S-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(SS)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HS)(CH3)	H(C[6]C[6,6]C[6]S)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(SS)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HS)(CH3){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]S)	107.7805	0.138	2	107.7805	0.019	2	107.7805	0.019	2	108.2625	1.345	121	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	2:4:2:4:	4:	C[5,6]-4:C[6,6]-4:C-3:H-1:	O[6,6]-2:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]C)(C[6,6]O[6,6]O[6]C)(CCO)(H)	C[6,6](O[6,6]C[5,6,6])(C[6]C[5,6]CH)(O[6]C[6])(CH3)	H(C[6]C[5,6]C[6,6]C)	C[6](C[5,6]O[5,6]O[5]C)(C[6,6]O[6,6]O[6]C)(CCO)(H){3|C<4>}	C[6,6](O[6,6]C[5,6,6])(C[6]C[5,6]CH)(O[6]C[6])(CH3){1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6,6]C)	108.6100	0.000	1	108.6100	0.000	1	105.8302	3.251	5	105.8302	3.251	5	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	2:4:2:4:	4:	C[5,6]-4:C[6,6]-4:C-3:H-1:	O[6,6]-2:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]C)(C[6,6]O[6,6]O[6]C)(COO)(H)	C[6,6](O[6,6]C[5,6,6])(C[6]C[5,6]CH)(O[6]C[6])(CH3)	H(C[6]C[5,6]C[6,6]C)	C[6](C[5,6]O[5,6]O[5]C)(C[6,6]O[6,6]O[6]C)(COO)(H){3|C<4>}	C[6,6](O[6,6]C[5,6,6])(C[6]C[5,6]CH)(O[6]C[6])(CH3){1|Cl<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6,6]C)	104.2250	0.000	1	105.1352	1.115	4	105.8302	3.251	5	105.8302	3.251	5	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	2:4:2:4:	4:	C[5,6]-4:C[6,6]-4:C-3:H-1:	O[6,6]-2:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]C)(C[6,6]O[6,6]O[6]C)(COO)(H)	C[6,6](O[6,6]C[5,6,6])(C[6]C[5,6]CH)(O[6]C[6])(CH3)	H(C[6]C[5,6]C[6,6]C)	C[6](C[5,6]O[5,6]O[5]C)(C[6,6]O[6,6]O[6]C)(COO)(H){3|C<4>}	C[6,6](O[6,6]C[5,6,6])(C[6]C[5,6]CH)(O[6]C[6])(CH3){1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6,6]C)	105.8360	1.137	2	105.1352	1.115	4	105.8302	3.251	5	105.8302	3.251	5	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	2:4:2:4:	4:	C[5,6]-4:C[6,6]-4:C-3:H-1:	O[6,6]-2:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]C)(C[6,6]O[6,6]O[6]C)(COO)(H)	C[6,6](O[6,6]C[5,6,6])(C[6]C[5,6]CH)(O[6]C[6])(CH3)	H(C[6]C[5,6]C[6,6]C)	C[6](C[5,6]O[5,6]O[5]C)(C[6,6]O[6,6]O[6]C)(COO)(H){3|C<4>}	C[6,6](O[6,6]C[5,6,6])(C[6]C[5,6]CH)(O[6]C[6])(CH3){3|O<2>,4|C<4>}	H(C[6]C[5,6]C[6,6]C)	104.6440	0.000	1	105.1352	1.115	4	105.8302	3.251	5	105.8302	3.251	5	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCO)(H)	C[6,6](C[5a,6]N[5a,6]C[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCO)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6](C[5a,6]N[5a,6]C[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]C)	110.1480	0.000	1	110.1480	0.000	1	108.7995	3.637	2	108.6409	2.775	19	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(COO)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(COO)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	107.4510	0.000	1	107.4510	0.000	1	108.7995	3.637	2	108.6409	2.775	19	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(CN[5]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(CN[5]O)(H){1|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6]C[6]CH)(H){1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]C)	105.8120	2.916	2	105.8120	8.504	2	108.5814	5.076	8	108.6409	2.775	19	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(CCO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(CCO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]C)	110.7660	0.000	1	110.1640	1.071	3	108.5814	5.076	8	108.6409	2.775	19	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(CCO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(CCO)(H){2|C<3>,4|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]C)	109.8630	1.264	2	110.1640	1.071	3	108.5814	5.076	8	108.6409	2.775	19	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(CHO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(CHO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]C)	107.8280	0.000	1	107.8280	0.000	1	108.5814	5.076	8	108.6409	2.775	19	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(COO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(COO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	109.3535	0.520	2	109.3535	0.270	2	108.5814	5.076	8	108.6409	2.775	19	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	N[5,3x6]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[5,3x6]C[6,6a]H)(C[6]N[6]CH)(COO)(H)	C[6,6](N[5,3x6]C[5,5,3x6]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]N[5,3x6]C[6,6a]H)(C[6]N[6]CH)(COO)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](N[5,3x6]C[5,5,3x6]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	107.6270	0.000	1	107.6270	0.000	1	107.6270	0.000	1	108.6409	2.775	19	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	N[6]-3:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CCO)(H)	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CCO)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]C)	107.4200	0.000	1	107.4200	0.000	1	107.4200	0.000	1	108.6409	2.775	19	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(NCH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HN)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HN)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]N)	108.8220	0.000	1	108.8220	0.000	1	108.8220	0.000	1	108.6409	2.775	19	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HN)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H){7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HN)(H){1|O<2>,3|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]N)	108.4170	0.000	1	108.4170	0.000	1	108.4170	0.000	1	108.6409	2.775	19	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[5,6]C[6a]H)(NOO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HN)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[5,6]C[6a]H)(NOO)(H){2|C<4>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HN)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]N)	110.1470	0.369	2	110.1470	0.136	2	109.6617	0.405	4	108.6409	2.775	19	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HN)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H){1|H<1>,3|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HN)(H){2|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]N)	109.1765	0.371	2	109.1765	0.138	2	109.6617	0.405	4	108.6409	2.775	19	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:3:4:1:	4:	C[6,6]-4:S[6]-4:C-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(S[6]N[6,6]OO)(COO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]S[6]CH)(H)	H(C[6]C[6,6]S[6]C)	C[6](C[6,6]C[6,6a]N[6,6]H)(S[6]N[6,6]OO)(COO)(H){2|C<3>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]S[6]CH)(H){1|C<4>,1|N<3>,2|O<1>,3|C<3>,4|H<1>}	H(C[6]C[6,6]S[6]C)	106.9940	0.000	1	106.9940	0.000	1	106.9940	0.000	1	108.6409	2.775	19	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:3:4:2:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[5a,6,6]-3:C[6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[6]O)(C[6]C[6]CH)(COO)(H)	C[6,6](C[5a,6,6]C[5a,6]2)(C[6]C[6,6a]O)(C[6]C[6]CH)(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5a,6,6]C[6]O)(C[6]C[6]CH)(COO)(H){1|O<1>,2|H<1>,3|C<3>}	C[6,6](C[5a,6,6]C[5a,6]2)(C[6]C[6,6a]O)(C[6]C[6]CH)(OH){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]C)	108.3950	0.000	1	108.3950	0.000	1	108.3950	0.000	1	108.3950	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:3:4:3:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]2C[6])(C[6]O[6]HH)(CCH)(H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6a]2C[6])(C[6]O[6]HH)(CCH)(H){1|O<1>,5|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]O){1|O<2>,4|H<1>,6|C<3>}	H(C[6]C[6,6]C[6]C)	103.4140	0.000	1	103.4140	0.000	1	103.4140	0.000	1	103.4140	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:3:4:4:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[5,6]-3:N[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]N[6,6]C)(C[6]C[6]HH)(CC[5a]O)(H)	C[6,6](C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6]N[6,6]C)(C[6]C[6]HH)(CC[5a]O)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6](C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]C)	105.9650	0.000	1	105.9650	0.000	1	105.9650	0.000	1	107.2235	0.731	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:3:4:4:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]CH)(CC[5a]O)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]CH)(CC[5a]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	107.2240	0.000	1	107.2240	0.000	1	107.4752	0.438	5	107.2235	0.731	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:3:4:4:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(CC[5a]O)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(CC[5a]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]C)	106.5800	0.000	1	106.5800	0.000	1	107.4752	0.438	5	107.2235	0.731	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:3:4:4:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(CC[6a]O)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(CC[6a]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	107.6930	0.000	1	107.6930	0.000	1	107.4752	0.438	5	107.2235	0.731	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:3:4:4:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(CN[6]O)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(CN[6]O)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	107.4870	0.000	1	107.4870	0.000	1	107.4752	0.438	5	107.2235	0.731	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:3:4:4:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(CN[6]O)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(CN[6]O)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	108.3920	0.000	1	108.3920	0.000	1	107.4752	0.438	5	107.2235	0.731	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:4:2:1:	4:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]O[6]H)(COO)(H)	C[6,6](C[6,6]C[6,6]O[6])(C[6]C[5,6]CH)(O[6]C[6])(H)	H(C[6]C[5,6]C[6,6]C)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]O[6]H)(COO)(H){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	C[6,6](C[6,6]C[6,6]O[6])(C[6]C[5,6]CH)(O[6]C[6])(H){3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6,6]C)	108.1100	0.000	1	108.1100	0.000	1	108.1100	0.000	1	108.9010	0.634	3	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6,6a]O[6]H)(C[6]O[6]CO)(CNO)(H)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6,6a]O[6]H)(C[6]O[6]CO)(CNO)(H){1|C<4>,2|C<3>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)(O[6]C[6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]C)	109.7020	0.000	1	109.7020	0.000	1	109.2965	0.329	2	108.9010	0.634	3	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6,6a]O[6]H)(C[6]O[6]CO)(COO)(H)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6,6a]O[6]H)(C[6]O[6]CO)(COO)(H){1|C<4>,2|C<3>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)(O[6]C[6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]C)	108.8910	0.000	1	108.8910	0.000	1	109.2965	0.329	2	108.9010	0.634	3	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CNO)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CNO)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	108.0300	0.000	1	108.0300	0.000	1	108.0300	0.000	1	108.0660	0.003	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H)	C[6,6](N[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	108.1020	0.000	1	108.1020	0.000	1	108.1020	0.000	1	108.0660	0.003	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:4:3:3:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CCH)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)(CC[6a]O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CCH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)(CC[6a]O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]C)	105.1330	0.000	1	105.1330	0.000	1	105.1330	0.000	1	105.1330	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6,6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<2>,2|H<1>,5|C<3>}	H(C[6]C[5,6]C[6,6]C)	108.0406	0.306	5	107.9876	0.076	7	107.6618	0.712	13	107.5235	0.759	42	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6,6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<2>,2|H<1>,5|C<3>}	H(C[6]C[5,6]C[6,6]C)	107.8550	0.180	2	107.9876	0.076	7	107.6618	0.712	13	107.5235	0.759	42	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(COO)(H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6,6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(COO)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<2>,2|H<1>,5|C<3>}	H(C[6]C[5,6]C[6,6]C)	107.6115	0.329	2	107.6115	0.108	2	107.6618	0.712	13	107.5235	0.759	42	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6,6]C)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6,6]C)	108.3410	0.045	2	108.3410	0.002	2	107.6618	0.712	13	107.5235	0.759	42	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6,6]C)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6,6]C)	105.8925	0.228	2	105.8925	0.052	2	107.6618	0.712	13	107.5235	0.759	42	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6,6]C[6a])	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H){1|C<4>,4|H<1>,5|C<3>}	H(C[6]C[5,6]C[6,6]C[6a])	106.6723	1.149	3	106.6723	1.321	3	106.6723	1.321	3	107.5235	0.759	42	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C-3:H-1:	C[5,6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(COO)(H)	C[6,6](C[5,6,6]C[5,6]2)(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6,6]C)	C[6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(COO)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]2)(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<3>,1|S<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6,6]C)	107.0410	0.000	1	107.0410	0.000	1	107.0410	0.000	1	107.5235	0.759	42	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]CC)(CCO)(H)	C[6,6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6]2H)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]CC)(CCO)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6]2H)(C[6]C[6]CH)(H){1|N<3>,2|C<3>,2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]C)	106.3225	0.012	2	106.3225	0.000	2	106.3225	0.000	2	107.5235	0.759	42	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(COO)(H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(COO)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.3250	0.000	1	107.3250	0.000	1	107.7564	0.640	10	107.5235	0.759	42	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.5160	0.000	1	107.5160	0.000	1	107.7564	0.640	10	107.5235	0.759	42	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]C)	108.0680	0.000	1	107.4123	0.221	4	107.7564	0.640	10	107.5235	0.759	42	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.1937	0.211	3	107.4123	0.221	4	107.7564	0.640	10	107.5235	0.759	42	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(COO)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(COO)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	108.2685	1.053	4	108.2685	1.109	4	107.7564	0.640	10	107.5235	0.759	42	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCC)(H)	C[6,6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]C)	106.2550	0.000	1	106.2550	0.000	1	106.2433	0.079	3	107.5235	0.759	42	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCC)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	106.2375	0.397	2	106.2375	0.157	2	106.2433	0.079	3	107.5235	0.759	42	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]N)	108.1360	0.136	2	108.1360	0.018	2	108.1360	0.018	2	107.5235	0.759	42	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(NCO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(NCO)(H){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]N)	108.2940	0.000	1	108.2940	0.000	1	108.0141	0.047	8	107.5235	0.759	42	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(NOO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(NOO)(H){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]N)	108.0320	0.216	2	108.0320	0.047	2	108.0141	0.047	8	107.5235	0.759	42	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(NOO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(NOO)(H){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]N)	108.2550	0.000	1	108.2550	0.000	1	108.0141	0.047	8	107.5235	0.759	42	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,1|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|N<3>,4|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]N)	108.0810	0.000	1	107.8750	0.023	4	108.0141	0.047	8	107.5235	0.759	42	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,1|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]N)	107.7830	0.000	1	107.8750	0.023	4	108.0141	0.047	8	107.5235	0.759	42	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,1|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|O<2>,4|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]N)	107.7460	0.000	1	107.8750	0.023	4	108.0141	0.047	8	107.5235	0.759	42	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H){1|H<1>,2|C<4>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|C<4>,4|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]N)	107.8900	0.000	1	107.8750	0.023	4	108.0141	0.047	8	107.5235	0.759	42	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:4:4:2:	4:	C[6,6]-4:C[3x6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6,6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]O)(C[3x6]C[3x6]C[4x6]H)(C[6a]C[6a]2)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]C[6a]H)(C[6,6]C[6]2C)(OH)	H(C[6]C[3x6]C[6,6]C[6a])	C[6](C[6,6]C[6,6a]C[6,6]O)(C[3x6]C[3x6]C[4x6]H)(C[6a]C[6a]2)(H){3|H<1>,5|C<3>,6|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]C[6a]H)(C[6,6]C[6]2C)(OH){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	H(C[6]C[3x6]C[6,6]C[6a])	107.3520	0.000	1	107.3520	0.000	1	107.3520	0.000	1	106.8990	1.073	4	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCC)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CN)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCC)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CN){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	105.5730	0.000	1	105.5730	0.000	1	105.5730	0.000	1	106.8990	1.073	4	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]HH)(CCC)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(OH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]C)	106.6740	0.000	1	106.6740	0.000	1	106.6740	0.000	1	106.8990	1.073	4	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(NOO)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]N)	107.9970	0.000	1	107.9970	0.000	1	107.9970	0.000	1	106.8990	1.073	4	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(COO)(H)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]CH)(C[6]C[5,6]HH)(CH3)	H(C[6]C[5,6]C[6,6]C)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(COO)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]CH)(C[6]C[5,6]HH)(CH3){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6,6]C)	106.7360	0.000	1	106.7360	0.000	1	106.7360	0.000	1	107.4527	0.504	3	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(COO)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(COO)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]C)	107.8110	0.486	2	107.8110	0.237	2	107.8110	0.237	2	107.4527	0.504	3	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(CHO)(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(CHO)(H){1|C<4>,1|H<1>,6|C<3>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]CH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]C)	109.3310	0.000	1	109.3310	0.000	1	109.3310	0.000	1	109.0170	0.197	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(NOO)(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HN)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(NOO)(H){1|C<4>,1|H<1>,6|C<3>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HN)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]N)	108.7030	0.000	1	108.7030	0.000	1	108.7030	0.000	1	109.0170	0.197	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:3:3:3:	4:	C[6,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6]C[6]N)(C[6]N[6]O)2	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]3)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,3|N<3>,4|C<3>,4|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6]C[6]N)(C[6]N[6]O)2{1|C<2>,1|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6,6]2C[6a])	105.9080	0.000	1	105.9080	0.000	1	105.9080	0.000	1	105.9080	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]2)(H)	C[6,6](C[6]C[5,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(H)	H(C[6]C[5,6]C[6,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]2)(H){1|C<3>,3|O<2>,4|H<1>,7|C<4>}	C[6,6](C[6]C[5,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6,6]C[6])	105.6170	0.000	1	105.6170	0.000	1	105.6170	0.000	1	106.6239	1.756	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6,6]C[6a])	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<4>,4|C<3>,5|H<1>}	H(C[6]C[5,6]C[6,6]C[6a])	104.0380	0.000	1	104.0380	0.000	1	105.8962	0.584	8	106.6239	1.756	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]C[5])(C[6]N[6]HH)(H)	H(C[6]C[5,6]C[6,6]C[6a])	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]C[5])(C[6]N[6]HH)(H){2|H<1>,3|C<4>,5|C<3>}	H(C[6]C[5,6]C[6,6]C[6a])	106.0115	0.074	2	106.0115	0.006	2	105.8962	0.584	8	106.6239	1.756	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H)	H(C[6]C[5,6]C[6,6]C[6a])	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|O<1>,3|C<3>,4|H<1>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6,6]C[6a])	106.2670	0.175	2	106.2650	0.011	4	105.8962	0.584	8	106.6239	1.756	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H)	H(C[6]C[5,6]C[6,6]C[6a])	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,4|C<3>,4|H<1>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6,6]C[6a])	106.2630	0.052	2	106.2650	0.011	4	105.8962	0.584	8	106.6239	1.756	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6,6]C[6a])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|O<1>,2|N<3>,3|H<1>,6|C<3>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,2|H<1>,6|C<3>}	H(C[6]C[5,6]C[6,6]C[6a])	106.0490	0.000	1	106.0490	0.000	1	105.8962	0.584	8	106.6239	1.756	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]3)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,3|N<3>,4|C<3>,4|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6,6]2C[6a])	105.8150	0.000	1	105.8150	0.000	1	105.8150	0.000	1	106.6239	1.756	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(N[6,6]O[6]2)(C[6]C[6]CC)(H)	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(H){2|O<2>,3|C<4>,4|C<3>,5|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(N[6,6]O[6]2)(C[6]C[6]CC)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]2C[6a])	107.8490	0.000	1	107.8490	0.000	1	107.8490	0.000	1	106.6239	1.756	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCO)(H)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]CH)(H){1|C<4>,2|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]C)	108.8470	0.000	1	108.8470	0.000	1	108.8470	0.000	1	106.6239	1.756	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(CCH)(H)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(CCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]C)	107.1130	0.000	1	107.1130	0.000	1	107.1130	0.000	1	106.6239	1.756	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]O[6]CC)(NHH)(H)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HN)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]2H)(C[6]O[6]CC)(NHH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HN)(H){1|H<1>,1|O<1>,3|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]N)	107.7420	0.000	1	107.7420	0.000	1	107.7420	0.000	1	106.6239	1.756	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]C[6]HN)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)(NOO)(H){3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]C[6]HN)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]N)	109.2060	0.000	1	109.2060	0.000	1	109.2060	0.000	1	106.6239	1.756	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:3:4:2:	4:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[6]-4:N[6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[5,6]N[5,6,6]C[5]H)(C[6,6]C[6]N[6]O[6])(COO)(H)	C[6,6](C[6]C[5,6]CH)(N[6]C[6,6]H)(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[5,6]C[6,6]C)	C[6](C[5,6]N[5,6,6]C[5]H)(C[6,6]C[6]N[6]O[6])(COO)(H){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6]C[5,6]CH)(N[6]C[6,6]H)(C[6]C[6]HH)(O[6]C[6]){2|N<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6,6]C)	105.7850	0.000	1	105.7850	0.000	1	105.7850	0.000	1	106.9440	2.687	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:3:4:2:	4:	C[6,6]-4:C[6,6]-4:N-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(NOO)(H)	C[6,6](C[6]C[6,6]HN)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]2N)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(NOO)(H){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6]C[6,6]HN)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]2N)	108.1030	0.000	1	108.1030	0.000	1	108.1030	0.000	1	106.9440	2.687	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:3:4:3:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6]HH)(COO)(H)	C[6,6](C[6,6]C[6]2H)(C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6]HH)(COO)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2H)(C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]O){2|C<4>,3|C<3>,7|H<1>}	H(C[6]C[6,6]C[6]C)	104.6280	0.000	1	104.6280	0.000	1	104.6280	0.000	1	105.0670	1.086	3	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:3:4:3:	4:	C[6,6]-4:P[6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(P[6]C[6]PtC)(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6a]P[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO)	H(C[6]C[6,6]C[6a]P[6])	C[6](C[6,6]C[6,6]C[6]C)(P[6]C[6]PtC)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6,6](C[6]C[6a]P[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO){1|Pt<4>,3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6a]P[6])	106.2570	0.000	1	105.2865	1.884	2	105.2865	1.884	2	105.0670	1.086	3	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:3:4:3:	4:	C[6,6]-4:P[6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(P[6]C[6]PtC)(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6a]P[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO)	H(C[6]C[6,6]C[6a]P[6])	C[6](C[6,6]C[6,6]C[6]C)(P[6]C[6]PtC)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[6,6](C[6]C[6a]P[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO){1|Pt<4>,3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6a]P[6])	104.3160	0.000	1	105.2865	1.884	2	105.2865	1.884	2	105.0670	1.086	3	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:3:4:4:	4:	C[6,6]-4:C[3]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[3]C[3]2H)(C[6]C[6]H)(H)	C[6,6](C[6]C[3]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[6]O[6]HO)	H(C[6]C[6,6]C[3]C[6])	C[6](C[6,6]C[6]3)(C[3]C[3]2H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,7|H<1>}	C[6,6](C[6]C[3]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[6]O[6]HO){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[3]C[6])	106.8535	0.111	2	106.8535	0.012	2	106.8535	0.012	2	106.8535	0.012	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:C[5a]-3:H-1:	C[6]-4:C[6,6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(H)	C[6,6](C[6]C[5,6]C[5a]H)(C[6,6]C[6]2H)(O[6]C[6,6a])(H)	H(C[6]C[5,6]C[6,6]C[5a])	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|N<3>,7|C<3>}	C[6,6](C[6]C[5,6]C[5a]H)(C[6,6]C[6]2H)(O[6]C[6,6a])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[5,6]C[6,6]C[5a])	107.5457	0.185	3	107.5457	0.034	3	107.5457	0.034	3	107.9447	0.660	4	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NHS)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NHS)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]N)	109.1420	0.000	1	109.1420	0.000	1	109.1420	0.000	1	107.9447	0.660	4	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:O[6]-2:N-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]N)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(O[6]C[6,6a])(NC)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]O[6]N)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6,6](C[6,6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(O[6]C[6,6a])(NC){1|N<4>,2|H<1>,7|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.7760	0.000	1	106.7760	0.000	1	106.7760	0.000	1	106.7760	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:2:3:	4:	C[6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6]-4:O[6]-2:C[6]-3:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]2O[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]2O[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]O){1|C<4>,3|H<1>,6|C<3>}	H(C[6]C[6,6]C[6a]C[6])	104.0780	0.000	1	104.0780	0.000	1	104.0780	0.000	1	104.0780	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6,6]C[6,6]C[6]H)(COO)(H)	C[6,6](C[6,6]C[3x6]HH)(C[6]C[5,6,6]CH)(C[6]C[6]C)(H)	H(C[6]C[5,6,6]C[6,6]C)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6,6]C[6,6]C[6]H)(COO)(H){1|N<3>,3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(C[6]C[5,6,6]CH)(C[6]C[6]C)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6,6]C)	106.2080	0.000	1	106.2080	0.000	1	106.2080	0.000	1	107.4658	2.073	36	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(COO)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]C[6]CH)(C[6]O[6]O)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(COO)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]C[6]CH)(C[6]O[6]O)(H){2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]C)	108.9400	0.000	1	108.9400	0.000	1	108.9400	0.000	1	107.4658	2.073	36	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C[6a]H)(COO)(H)	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]CH)(C[6]O[6]O)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C[6a]H)(COO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]CH)(C[6]O[6]O)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]C)	104.2460	0.000	1	104.2460	0.000	1	107.3699	2.231	27	107.4658	2.073	36	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCH)(H){1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]O)(H){2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	109.0550	0.078	2	109.0550	0.006	2	107.3699	2.231	27	107.4658	2.073	36	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(H){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]C)	107.4590	0.000	1	107.4590	0.000	1	107.3699	2.231	27	107.4658	2.073	36	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	107.6395	0.486	2	107.6395	0.236	2	107.3699	2.231	27	107.4658	2.073	36	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]H)(H){1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	106.4300	0.000	1	106.4300	0.000	1	107.3699	2.231	27	107.4658	2.073	36	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H){2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	107.5765	0.525	2	107.5765	0.276	2	107.3699	2.231	27	107.4658	2.073	36	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCO)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]N[6]O)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCO)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]N[6]O)(H){1|S<4>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	106.1460	0.000	1	106.1460	0.000	1	107.3699	2.231	27	107.4658	2.073	36	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]O)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]N[6]O)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]N[6]O)(H){1|S<4>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.2155	0.223	2	107.2155	0.050	2	107.3699	2.231	27	107.4658	2.073	36	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CNO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CNO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	106.2850	0.054	2	106.2850	0.003	2	107.3699	2.231	27	107.4658	2.073	36	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H){1|Br<1>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]C)	106.9430	0.000	1	107.6827	3.548	7	107.3699	2.231	27	107.4658	2.073	36	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H){1|Si<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]C)	108.0500	0.420	2	107.6827	3.548	7	107.3699	2.231	27	107.4658	2.073	36	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H){3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.6840	2.601	4	107.6827	3.548	7	107.3699	2.231	27	107.4658	2.073	36	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]O[6]O)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]O[6]O)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	108.3545	2.105	2	107.3693	5.127	3	107.3699	2.231	27	107.4658	2.073	36	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]O[6]O)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]O[6]O)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	105.3990	0.000	1	107.3693	5.127	3	107.3699	2.231	27	107.4658	2.073	36	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(COO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]O[6]O)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(COO)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]O[6]O)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]C)	109.2530	0.000	1	109.2530	0.000	1	107.3699	2.231	27	107.4658	2.073	36	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCH)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCH)(H){1|O<1>,1|S<4>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6,6]C[6]C)	106.3210	0.000	1	106.3210	0.000	1	107.3699	2.231	27	107.4658	2.073	36	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(CCH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(CCH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]C)	107.7020	0.000	1	107.7020	0.000	1	107.3699	2.231	27	107.4658	2.073	36	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]N)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,3|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]N)(H){1|O<1>,2|H<1>,6|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.7290	0.000	1	106.7290	0.000	1	107.1590	0.370	2	107.4658	2.073	36	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.5890	0.000	1	107.5890	0.000	1	107.1590	0.370	2	107.4658	2.073	36	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]N[6]O)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]N[6]O)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.5860	0.000	1	106.5860	0.000	1	106.5860	0.000	1	107.4658	2.073	36	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(NCH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HN)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(NCH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HN)(C[6]C[6]C)(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]N)	109.2865	0.291	2	109.2865	0.084	2	109.2865	0.084	2	107.4658	2.073	36	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:N[5]-3:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]N[5]H)(N[6]C[6]C)(H)	H(C[6]C[6,6]C[6]N[5])	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<3>,1|N<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]N[5]H)(N[6]C[6]C)(H){4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]N[5])	106.4650	0.000	1	106.4650	0.000	1	107.5785	2.480	2	107.4658	2.073	36	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:N[5]-3:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]HH)(N[5]C[5]2)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]N[5]H)(N[6]C[6]C)(H)	H(C[6]C[6,6]C[6]N[5])	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]HH)(N[5]C[5]2)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]N[5]H)(N[6]C[6]C)(H){1|N<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]N[5])	108.6920	0.000	1	108.6920	0.000	1	107.5785	2.480	2	107.4658	2.073	36	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCH)(H)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6]CH)(C[6]O[6]O)(CN)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6]CH)(C[6]O[6]O)(CN){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]C)	112.7170	0.000	1	112.7170	0.000	1	101.6874	243.306	2	101.6874	243.306	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CN)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHH)(H){1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CN){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]C)	90.6577	0.000	1	90.6577	0.000	1	101.6874	243.306	2	101.6874	243.306	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCH)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(C[6]C[6]O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCH)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]C)	108.3150	0.000	1	108.3150	0.000	1	107.5073	0.682	3	107.0495	0.474	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]N[6]HH)(CCH)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]3)(C[6]N[6]HH)(CCH)(H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]C)	107.1035	0.620	2	107.1035	0.385	2	107.5073	0.682	3	107.0495	0.474	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(C[6]C[6]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(C[6a]C[6a]2)(H){1|N<3>,4|C<3>,8|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(C[6]C[6]H)2{1|Br<1>,1|C<4>,1|S<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.1020	0.000	2	107.1020	0.000	2	107.1020	0.000	2	107.0495	0.474	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:3:3:	4:	C[6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6a]C[6]H)2(C[6]O[6]O)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6]C[5,6]HH)(C[6,6]C[6]3)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,3|C<3>,3|H<1>,4|O<2>}	C[6,6](C[6]C[6a]C[6]H)2(C[6]O[6]O)2{2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.2445	0.100	2	106.2445	0.010	2	106.5567	0.297	3	107.0495	0.474	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:3:3:	4:	C[6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(C[6]N[6]O)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(C[6a]C[6a]2)(H){2|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(C[6]N[6]O)2{2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.1810	0.000	1	107.1810	0.000	1	106.5567	0.297	3	107.0495	0.474	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6,6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[5,6]C[6,6]C)	105.3920	0.000	1	105.3920	0.000	1	105.3920	0.000	1	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6]-4:C[6,6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[5,6]C[6a]H)2(C[6,6]N[6]O[6]H)(H)	H(C[6]C[5,6]C[6,6]C[6a])	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|O<1>,5|H<1>,7|C<3>}	C[6,6](C[6]C[5,6]C[6a]H)2(C[6,6]N[6]O[6]H)(H){1|C<4>,9|C<3>}	H(C[6]C[5,6]C[6,6]C[6a])	106.3610	0.000	1	106.6467	0.159	3	106.6467	0.159	3	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6]-4:C[6,6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[5,6]C[6a]H)2(C[6,6]N[6]O[6]H)(H)	H(C[6]C[5,6]C[6,6]C[6a])	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|O<1>,5|H<1>,7|C<3>}	C[6,6](C[6]C[5,6]C[6a]H)2(C[6,6]N[6]O[6]H)(H){2|C<4>,8|C<3>}	H(C[6]C[5,6]C[6,6]C[6a])	106.7895	0.442	2	106.6467	0.159	3	106.6467	0.159	3	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(H){2|O<2>,3|C<4>,4|C<3>,5|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]2C[6a])	107.8330	0.000	1	107.8330	0.000	1	107.8330	0.000	1	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(NOO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HN)(C[6]C[6]HH)(H)	H(C[6]C[6,6]2N)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(NOO)(H){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HN)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]2N)	108.0570	0.000	1	108.0570	0.000	1	108.0570	0.000	1	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:B[5]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(B[5]O[5]2)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]B[5]C[6]H)(C[6]C[6]CC)(H)	H(C[6]C[6,6]B[5]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(B[5]O[5]2)(H){2|H<1>,8|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6]B[5]C[6]H)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	H(C[6]C[6,6]B[5]C[6])	103.6070	0.000	1	103.6070	0.000	1	103.6070	0.000	1	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCC)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCC)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]C)	107.1370	0.000	1	107.1370	0.000	1	107.1370	0.000	1	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[5,3x6]-4:C[6]-4:P[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,3x6]P[6]H)(C[6]P[5,5,6]CH)(CCH)(H)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]C)(C[6]C[6]CH)(P[6]O[6]CW)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,3x6]P[6]H)(C[6]P[5,5,6]CH)(CCH)(H){1|O<2>,2|C<3>,2|W<6>,3|C<4>}	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]C)(C[6]C[6]CH)(P[6]O[6]CW)(H){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]C)	106.1840	0.000	1	106.1840	0.000	1	106.1840	0.000	1	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CHO)(H)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CHO)(H){1|N<3>,3|C<3>,4|H<1>}	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]C)	108.6940	0.000	1	108.6940	0.000	1	108.6940	0.000	1	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3]C[6]O)(CCH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3]C[6]O)(CCH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]C)	105.2307	0.403	3	105.2307	0.162	3	107.1213	3.059	49	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(CHO)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(CHO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	109.0440	0.000	1	109.0440	0.000	1	107.1213	3.059	49	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(COO)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(COO)(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]C)	107.6090	0.000	1	107.6090	0.000	1	107.1213	3.059	49	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(CHN)(H)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(CHN)(H){1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]C)	106.9270	0.000	1	106.9270	0.000	1	107.1213	3.059	49	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(CHO)(H)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(CHO)(H){1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]C)	106.5850	0.000	1	106.5850	0.000	1	107.1213	3.059	49	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	107.0880	0.000	2	107.0880	0.000	2	107.1213	3.059	49	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	104.3360	2.195	6	105.4309	6.085	9	107.1213	3.059	49	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]C)	108.9410	0.000	1	105.4309	6.085	9	107.1213	3.059	49	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]C)	106.9605	0.633	2	105.4309	6.085	9	107.1213	3.059	49	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHN)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)2(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHN)(H){1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)2(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	106.4120	0.000	1	106.4120	0.000	1	107.1213	3.059	49	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHO)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)2(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHO)(H){1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)2(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]C)	107.1460	0.000	1	107.1460	0.000	1	107.1213	3.059	49	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CN[5]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CN[5]O)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]C)	107.1370	0.000	1	107.1370	0.000	1	107.1213	3.059	49	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(COO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(COO)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	107.6440	0.000	1	107.6440	0.000	1	107.1213	3.059	49	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CCH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CCH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]C)	106.3110	0.000	1	106.3110	0.000	1	107.1213	3.059	49	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CCO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CCO)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]C)	107.5794	0.282	5	107.5794	0.080	5	107.1213	3.059	49	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	107.5950	0.000	1	107.5665	0.002	2	107.1213	3.059	49	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	107.5380	0.000	1	107.5665	0.002	2	107.1213	3.059	49	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]C)	107.5200	0.000	1	107.5200	0.000	1	107.1213	3.059	49	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]C)	109.0840	0.000	1	109.0840	0.000	1	107.1213	3.059	49	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHO)(H)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHO)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]C)	109.5845	0.637	4	109.5845	0.406	4	107.1213	3.059	49	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){3|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]C)	106.6645	1.148	2	106.6645	1.317	2	107.1213	3.059	49	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]C)	106.1210	0.000	1	106.1210	0.000	1	107.1213	3.059	49	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]C)	106.9280	0.000	1	106.9280	0.000	1	107.1213	3.059	49	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	107.1630	0.000	1	107.1630	0.000	1	107.1213	3.059	49	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(COO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(COO)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,6|H<1>}	H(C[6]C[6,6]C[6]C)	106.7015	1.152	2	107.7984	1.962	5	107.1213	3.059	49	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(COO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(COO)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|N<4>,1|O<2>,6|H<1>}	H(C[6]C[6,6]C[6]C)	107.4160	0.000	1	107.7984	1.962	5	107.1213	3.059	49	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(COO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(COO)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,1|N<4>,1|O<2>,6|H<1>}	H(C[6]C[6,6]C[6]C)	109.0865	0.805	2	107.7984	1.962	5	107.1213	3.059	49	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CCH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CCH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]C)	110.5140	0.000	1	110.5140	0.000	1	107.1213	3.059	49	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCC)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]C)	107.2470	0.000	1	107.2470	0.000	1	107.1213	3.059	49	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(CC[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(CC[6]O)(H){3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]C)	107.1160	0.000	1	107.1160	0.000	1	107.1213	3.059	49	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	N[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(COO)(H)	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(COO)(H){3|C<4>,5|H<1>}	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	105.6980	0.000	1	105.6980	0.000	1	105.6980	0.000	1	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){4|H<1>,7|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.3870	0.000	1	107.3870	0.000	1	107.3870	0.000	1	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6,6]HH)(NCC)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HN)(C[6]O[6]HH)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6,6]HH)(NCC)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HN)(C[6]O[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]N)	106.4190	0.000	1	106.4190	0.000	1	109.1763	8.310	3	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(NOO)(H)	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]N)	110.5550	2.284	2	110.5550	5.216	2	109.1763	8.310	3	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(NCH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(NCH)(H){3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H){6|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]N)	106.9770	0.000	2	106.9770	0.000	2	106.9770	0.000	2	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2C)(NCH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2C)(NCH)(H){1|C<3>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HN)(H){4|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]N)	105.8460	0.000	1	105.8460	0.000	1	105.8460	0.000	1	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(N[6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(N[6]C[6]2)(H){6|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6]H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]N[6])	106.2210	0.000	1	106.2210	0.000	1	106.2210	0.000	1	107.0944	3.011	68	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(CCO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(CCO)(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]C)	107.8610	0.000	1	107.8610	0.000	1	108.2593	0.130	7	108.0096	0.487	10	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(CC[6a]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(CC[6a]O)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	108.0910	0.000	1	108.0910	0.000	1	108.2593	0.130	7	108.0096	0.487	10	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(CCO)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(CCO)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|Cl<1>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	108.6245	0.088	2	108.3980	0.158	3	108.2593	0.130	7	108.0096	0.487	10	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(CCO)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(CCO)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|Cl<1>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]C)	107.9450	0.000	1	108.3980	0.158	3	108.2593	0.130	7	108.0096	0.487	10	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CCO)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CCO)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	108.0120	0.000	1	108.0120	0.000	1	108.2593	0.130	7	108.0096	0.487	10	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(CHO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(CHO)(H){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	108.6570	0.000	1	108.6570	0.000	1	108.2593	0.130	7	108.0096	0.487	10	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(NCH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HN)(OH)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(NCH)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HN)(OH){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]N)	106.4840	0.000	1	106.4840	0.000	1	107.4270	1.075	3	108.0096	0.487	10	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(NOO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HN)(OH)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(NOO)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HN)(OH){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]N)	107.2600	0.000	1	107.2600	0.000	1	107.4270	1.075	3	108.0096	0.487	10	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(NOO)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HN)(OH)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(NOO)(H){3|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HN)(OH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]N)	108.5370	0.000	1	108.5370	0.000	1	107.4270	1.075	3	108.0096	0.487	10	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHO)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]O[6]HH)(C[6]C[6]O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]O[6]HH)(C[6]C[6]O){3|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]C)	105.1490	0.000	1	105.1490	0.000	1	105.1490	0.000	1	105.9505	1.285	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCH)(H)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]N[6]O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCH)(H){1|N<2>,1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]N[6]O){2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	106.7520	0.000	1	106.7520	0.000	1	106.7520	0.000	1	105.9505	1.285	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(COO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)	H(C[6]C[5,6]C[6,6]C)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(COO)(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HO)(CH3){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6,6]C)	105.1610	0.000	1	105.1610	0.000	1	105.1610	0.000	1	106.7052	0.963	22	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(COO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(COO)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	107.4510	0.000	1	107.5515	0.020	2	107.5515	0.020	2	106.7052	0.963	22	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(COO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(COO)(H){3|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]C)	107.6520	0.000	1	107.5515	0.020	2	107.5515	0.020	2	106.7052	0.963	22	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(COO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(COO)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]C)	105.3630	0.000	1	105.3630	0.000	1	106.6059	1.011	16	106.7052	0.963	22	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<1>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]C)	105.0880	0.000	1	105.1083	0.237	3	106.6059	1.011	16	106.7052	0.963	22	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]C)	105.1185	0.688	2	105.1083	0.237	3	106.6059	1.011	16	106.7052	0.963	22	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHO)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]C)	106.7170	0.000	1	106.7170	0.000	1	106.6059	1.011	16	106.7052	0.963	22	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCC)(H)	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCC)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	107.1920	0.000	1	107.1920	0.000	1	106.6059	1.011	16	106.7052	0.963	22	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CBHH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CBHH){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	107.0130	0.000	1	107.0130	0.000	1	106.6059	1.011	16	106.7052	0.963	22	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(COO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(COO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	107.8480	0.000	1	106.9433	0.412	7	106.6059	1.011	16	106.7052	0.963	22	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(COO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(COO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	106.7925	0.551	6	106.9433	0.412	7	106.6059	1.011	16	106.7052	0.963	22	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(COO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(COO)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	107.7410	0.211	2	107.7410	0.044	2	106.6059	1.011	16	106.7052	0.963	22	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HO)(CCH)(H)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]C[6]HO)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]3)(C[6]C[6]HO)(CCH)(H){1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]C[6]HO){1|O<2>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]C)	107.0900	0.000	1	107.0900	0.000	1	107.0900	0.000	1	106.7052	0.963	22	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(NC[6a]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(CH3)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(NC[6a]H)(H){1|F<1>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(CH3){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]N)	106.8100	0.000	1	106.8100	0.000	1	106.8100	0.000	1	106.7052	0.963	22	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[6]-4:C[6,6]-4:N-3:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6,6]C[6]3)(NOO)(H)	C[6,6](C[6]C[6]HH)3(C[6]C[6]HN)	H(C[6]C[6,6]C[6]N)	C[6](C[6]C[6a]C[6]H)(C[6,6]C[6]3)(NOO)(H){2|C<4>,3|C<3>,8|H<1>}	C[6,6](C[6]C[6]HH)3(C[6]C[6]HN){1|C<3>,1|O<1>,1|S<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]N)	107.6560	0.000	1	107.6560	0.000	1	107.6560	0.000	1	106.7052	0.963	22	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	2:2:4:3:	4:	C[6]-4:C[6,6]-4:C-4:H-1:	O[6]-2:O[6]-2:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]2)(CCHH)(H)	C[6,6](O[6]C[6,6a])2(C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]C)	C[6](C[6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]2)(CCHH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6,6](O[6]C[6,6a])2(C[6]C[6]CH)(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]C)	103.9190	0.000	1	103.9190	0.000	1	103.9190	0.000	1	103.9190	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	2:2:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	O[6]-2:O[6]-2:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]HH)(CH3)(H)	C[6,6](O[6]C[6,6a])2(C[6]C[6]CH)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]HH)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6](O[6]C[6,6a])2(C[6]C[6]CH)2{4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]C)	107.3935	0.309	2	107.3935	0.095	2	107.3935	0.095	2	107.3935	0.095	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	2:4:4:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]HH)(CH3)(H)	C[6,6](O[6]C[6,6a])(C[6]C[6]CH)2(O[6]C[6])	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]HH)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6](O[6]C[6,6a])(C[6]C[6]CH)2(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.9010	0.164	2	107.9010	0.027	2	107.4030	0.757	3	107.4030	0.757	3	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	2:4:4:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HO)(CH3)(H)	C[6,6](O[6]C[6,6a])(C[6]C[6]CH)(C[6]C[6]CO)(O[6]C[6])	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HO)(CH3)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](O[6]C[6,6a])(C[6]C[6]CH)(C[6]C[6]CO)(O[6]C[6]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	106.4070	0.000	1	106.4070	0.000	1	107.4030	0.757	3	107.4030	0.757	3	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	2:4:4:3:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6]N[6]O[6])(C[6]C[6]HH)(CCCH)(H)	C[6,6](O[6]C[6,6a])(C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[6]C)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]N[6]O[6])(C[6]C[6]HH)(CCCH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](O[6]C[6,6a])(C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	106.4610	0.000	1	106.4610	0.000	1	106.4610	0.000	1	106.4610	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(CCHH)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(CCHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]C)	106.4400	0.000	1	106.4400	0.000	1	107.1330	0.517	4	107.4939	0.980	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	107.7290	0.332	2	107.7290	0.110	2	107.1330	0.517	4	107.4939	0.980	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6a]C[6]H)(CCHH)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6a]C[6]H)(CCHH)(H){1|H<1>,2|C<4>,2|N<3>,3|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){3|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	106.6340	0.000	1	106.6340	0.000	1	107.1330	0.517	4	107.4939	0.980	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[5,6,6]O)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[5,6,6]O)(C[6]C[6]CH)(H){4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]C)	107.6720	0.000	1	107.6720	0.000	1	107.6720	0.000	1	107.4939	0.980	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	107.8770	0.000	1	107.8770	0.000	1	107.9157	2.112	3	107.4939	0.980	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:3:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]O[6]HH)(CH3)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]O[6]HH)(CH3)(H){1|C<4>,1|S<3>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]C)	107.9350	2.055	2	107.9350	4.222	2	107.9157	2.112	3	107.4939	0.980	8	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:3:4:4:	4:	C[6,6]-4:C[6]-4:Si-4:H-1:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HO)(SiC3)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]SiH)(CH3)	H(C[6]C[6,6]C[6]Si)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HO)(SiC3)(H){1|H<1>,1|O<2>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]SiH)(CH3){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	H(C[6]C[6,6]C[6]Si)	105.9260	0.000	1	105.9260	0.000	1	105.9260	0.000	1	105.9260	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:4:2:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:O[6]-2:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]O[6])(C[6]C[6]HH)2(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]2H)	H(C[6]C[6,6]C[6]2)	C[6](C[6,6]C[6,6a]C[6,6]O[6])(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]2H){3|C<4>,4|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]2)	107.1520	0.000	1	107.1520	0.000	1	107.1520	0.000	1	107.1520	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:4:3:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]O)(CN)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]O)(CN){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	107.6230	0.000	2	107.6230	0.000	2	107.6230	0.000	2	107.6230	0.000	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:4:3:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	107.7650	0.000	1	107.7650	0.000	1	106.9234	0.158	9	106.9234	0.158	9	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:4:3:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]C)	106.6833	0.168	4	106.8183	0.067	8	106.9234	0.158	9	106.9234	0.158	9	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:4:3:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]C)	106.9520	0.000	1	106.8183	0.067	8	106.9234	0.158	9	106.9234	0.158	9	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:4:3:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	106.5580	0.000	1	106.8183	0.067	8	106.9234	0.158	9	106.9234	0.158	9	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:4:3:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]C)	107.1515	0.001	2	106.8183	0.067	8	106.9234	0.158	9	106.9234	0.158	9	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:Cl-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6,6]C[6]Cl)(CH3)(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]CH)(C[6]N[6]HH)(Cl)	H(C[6]C[5,6]C[6,6]C)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6,6]C[6]Cl)(CH3)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]CH)(C[6]N[6]HH)(Cl){2|C<3>,4|C<4>}	H(C[6]C[5,6]C[6,6]C)	107.8160	0.000	1	107.8160	0.000	1	107.8160	0.000	1	106.9182	4.782	32	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]C)	108.2360	0.000	1	108.2360	0.000	1	107.4937	1.149	3	106.9182	4.782	32	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]O[6]CC)(CCHH)(H)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)2(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]O[6]CC)(CCHH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)2(H){2|C<3>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]C)	107.1225	1.213	2	107.1225	1.471	2	107.4937	1.149	3	106.9182	4.782	32	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){1|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	108.6425	0.719	2	108.1245	0.282	10	108.1245	0.282	10	106.9182	4.782	32	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){2|O<2>,4|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]C)	107.5000	0.177	2	108.1245	0.282	10	108.1245	0.282	10	106.9182	4.782	32	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	107.7620	0.000	1	108.1245	0.282	10	108.1245	0.282	10	106.9182	4.782	32	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){1|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	108.5330	0.000	1	108.1245	0.282	10	108.1245	0.282	10	106.9182	4.782	32	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	108.1663	0.352	4	108.1245	0.282	10	108.1245	0.282	10	106.9182	4.782	32	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	106.7330	0.295	4	106.7330	0.087	4	105.8845	8.865	13	106.9182	4.782	32	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]C)	106.0510	0.000	1	106.0510	0.000	1	105.8845	8.865	13	106.9182	4.782	32	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	106.9160	0.231	2	106.9160	0.053	2	105.8845	8.865	13	106.9182	4.782	32	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CH)(C[6]N[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CH)(C[6]N[6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	107.8930	0.000	1	107.8930	0.000	1	105.8845	8.865	13	106.9182	4.782	32	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]C)	98.1796	0.000	1	98.1796	0.000	1	105.8845	8.865	13	106.9182	4.782	32	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	107.6630	0.000	1	107.6630	0.000	1	105.8845	8.865	13	106.9182	4.782	32	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CCCH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)2(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CCCH)(H){1|H<1>,2|C<4>,5|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)2(H){2|C<3>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]C)	106.8490	0.000	1	106.8490	0.000	1	105.8845	8.865	13	106.9182	4.782	32	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)(CH3)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)(CH3)(H){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]C)	100.6780	0.000	1	100.6780	0.000	1	105.8845	8.865	13	106.9182	4.782	32	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HO)(CH3)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)2(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)2(H){2|C<3>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]C)	108.4210	0.000	1	108.4210	0.000	1	105.8845	8.865	13	106.9182	4.782	32	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCCO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCCO)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	104.8360	0.000	1	105.3355	0.499	2	106.4128	1.715	4	106.9182	4.782	32	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCCO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCCO)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]C)	105.8350	0.000	1	105.3355	0.499	2	106.4128	1.715	4	106.9182	4.782	32	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.5300	0.000	1	107.5300	0.000	1	106.4128	1.715	4	106.9182	4.782	32	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]HH)(CC[6a]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]HH)(CC[6a]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){2|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.4500	0.000	1	107.4500	0.000	1	106.4128	1.715	4	106.9182	4.782	32	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:P-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]B[6]HH)(PC[6a]3)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HP)(H)	H(C[6]C[6,6]C[6]P)	C[6](C[6,6]C[6,6]C[6]H)(C[6]B[6]HH)(PC[6a]3)(H){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HP)(H){1|B<4>,1|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]P)	107.6920	0.000	1	107.6920	0.000	1	107.6920	0.000	1	106.9182	4.782	32	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:4:4:2:	4:	C[5,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6,6]C[6]O)(CH3)(H)	C[6,6](C[6,6]C[6,6]C)(C[6]C[5,6]CH)(C[6]N[6]HH)(OH)	H(C[6]C[5,6]C[6,6]C)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6,6]C[6]O)(CH3)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]C)(C[6]C[5,6]CH)(C[6]N[6]HH)(OH){2|C<3>,4|C<4>}	H(C[6]C[5,6]C[6,6]C)	108.0896	0.237	5	108.0896	0.056	5	108.0896	0.056	5	107.9106	0.408	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]CH)(CH3)(H)	C[6,6](C[6,6]C[3x6]C[6])(C[6,6]C[6]2O)(C[6]C[6]CH)(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]CH)(CH3)(H){1|O<2>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[3x6]C[6])(C[6,6]C[6]2O)(C[6]C[6]CH)(OH){1|O<2>,2|O<1>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]C)	106.5510	0.000	1	106.5510	0.000	1	106.5510	0.000	1	107.9106	0.408	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6]-4:S[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]S[6])(C[6]C[6]HH)(CF3)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH)(S[6]C[6])	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6a]C[6]S[6])(C[6]C[6]HH)(CF3)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH)(S[6]C[6]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]C)	108.3750	0.000	1	108.3750	0.000	1	108.3750	0.000	1	107.9106	0.408	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:4:4:3:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(C[6]O[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(C[6]O[6]HH)(C[6]C[6]H){1|C<3>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]C)	105.5390	0.000	1	105.5390	0.000	1	105.5390	0.000	1	105.5390	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H){2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]CH)(CH3){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]C)	105.9450	0.000	1	105.9450	0.000	1	106.5460	0.091	7	106.5460	0.091	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]C)	106.7620	0.000	1	106.7620	0.000	1	106.5460	0.091	7	106.5460	0.091	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]C)	106.7130	0.000	1	106.6565	0.028	4	106.5460	0.091	7	106.5460	0.091	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	106.5960	0.262	2	106.6565	0.028	4	106.5460	0.091	7	106.5460	0.091	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]C)	106.7210	0.000	1	106.6565	0.028	4	106.5460	0.091	7	106.5460	0.091	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HO)(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]C)	106.4890	0.000	1	106.4890	0.000	1	106.5460	0.091	7	106.5460	0.091	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:2:3:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C[6]-3:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6]C[6]CH)(O[6]C[5,6])(C[6]C[6]H)(O[6]C[6])	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6]C[6]CH)(O[6]C[5,6])(C[6]C[6]H)(O[6]C[6]){1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	107.1035	0.397	2	107.1035	0.157	2	107.1035	0.157	2	107.1035	0.157	2	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[4,6,6]-4:O[6,6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[4,6,6]O[6,6]H)(C[6]C[6]HH)2(H)	C[6,6](C[4,6,6]C[4,6]2C)(O[6,6]C[6,6])(C[6]C[6]2H)(H)	H(C[6]C[6,6]C[6]2)	C[6](C[6,6]C[4,6,6]O[6,6]H)(C[6]C[6]HH)2(H){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[4,6,6]C[4,6]2C)(O[6,6]C[6,6])(C[6]C[6]2H)(H){1|C<3>,1|N<2>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]2)	107.2600	0.000	1	107.2600	0.000	1	107.2600	0.000	1	107.2600	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:2:4:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]HH)(CH3)(H)	C[6,6](C[6]C[5,6]HH)(O[6]C[6,6a])(C[6]C[6]CH)(O[6]C[6])	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]HH)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[5,6]HH)(O[6]C[6,6a])(C[6]C[6]CH)(O[6]C[6]){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	108.1215	0.038	6	108.1215	0.001	6	108.1215	0.001	6	108.1215	0.001	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:3:2:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6]C[6]CH)(C[6]C[6]O)(O[6]C[6])2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[6]C[6]CH)(C[6]C[6]O)(O[6]C[6])2{1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[6]C[6,6]C[6]C)	107.9420	0.000	1	107.9420	0.000	1	107.9420	0.000	1	107.9420	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[6,6]-4:C-4:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]N[6,6]C[6]H)(CH3)(H)	C[6,6](C[6]C[5,6]CH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6,6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]N[6,6]C[6]H)(CH3)(H){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6]C[5,6]CH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6,6]C)	108.4010	0.000	2	108.4010	0.000	2	108.4010	0.000	2	107.9600	1.201	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[3x6]H)(C[6]C[6]CH)(CH3)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6a]C[3x6]H)(C[6]C[6]CH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,2|H<1>,2|O<2>,5|C<3>}	H(C[6]C[6,6]C[6]C)	107.8500	0.000	1	107.8500	0.000	1	107.8500	0.000	1	107.9600	1.201	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,3x6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[5,3x6]C[5,6]2C[6,6])(C[6,6]C[5a,6]C[6,6])(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,3x6]C[5,6]2C[6,6])(C[6,6]C[5a,6]C[6,6])(C[6]C[6]CH)(H){1|O<2>,2|C<3>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]C)	106.6830	0.000	1	106.6830	0.000	1	106.6830	0.000	1	107.9600	1.201	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(CH3)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(CH3)(H){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|C<2>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]C)	106.9740	0.000	1	107.6085	0.805	2	107.3480	0.389	4	107.9600	1.201	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(CH3)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(CH3)(H){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|C<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	108.2430	0.000	1	107.6085	0.805	2	107.3480	0.389	4	107.9600	1.201	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6]H)(CCCH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6]H)(CCCH)(H){1|H<1>,2|C<4>,5|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|C<4>,2|C<3>,2|O<2>,6|H<1>}	H(C[6]C[6,6]C[6]C)	107.0875	0.299	2	107.0875	0.089	2	107.3480	0.389	4	107.9600	1.201	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]C)	107.6290	0.000	1	107.6290	0.000	1	108.0000	0.275	2	107.9600	1.201	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(CH3)(H)	C[6,6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]O[6])(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]O[6])(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	108.3710	0.000	1	108.3710	0.000	1	108.0000	0.275	2	107.9600	1.201	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:F-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]O[6]2C)(C[6]C[6,6a]O)(C[6]C[6]CH)(F)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<3>,3|O<2>}	C[6,6](C[6,6]O[6]2C)(C[6]C[6,6a]O)(C[6]C[6]CH)(F){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]C)	108.2080	0.000	1	108.2080	0.000	1	108.2080	0.000	1	107.9600	1.201	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHH)(H)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]C)	106.0150	0.000	1	106.4990	0.469	2	108.3743	1.676	12	107.9600	1.201	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHH)(H)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHH)(H){1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6,6]C[6]C)	106.9830	0.000	1	106.4990	0.469	2	108.3743	1.676	12	107.9600	1.201	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHO)(H)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]CH)(H){1|C<4>,2|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.8010	0.363	2	107.8010	0.132	2	108.3743	1.676	12	107.9600	1.201	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H){1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	108.4917	0.192	4	108.9864	1.021	8	108.3743	1.676	12	107.9600	1.201	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H){1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	109.6170	1.559	3	108.9864	1.021	8	108.3743	1.676	12	107.9600	1.201	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H){1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H){1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	109.0730	0.000	1	108.9864	1.021	8	108.3743	1.676	12	107.9600	1.201	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]C)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]C)(C[6]C[6]CH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]C)	107.3090	0.000	1	107.3090	0.000	1	107.3090	0.000	1	107.9600	1.201	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)2(H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[5,3x6]O)(C[6]C[6]2H)(H)	H(C[6]C[6,6]C[6]2)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[5,3x6]O)(C[6]C[6]2H)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]2)	106.2660	0.000	1	106.2660	0.000	1	106.2660	0.000	1	107.9600	1.201	25	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6,6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(OH){4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	107.6370	0.000	1	107.6370	0.000	1	107.6370	0.000	1	107.6370	0.000	1	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]CC)(CCHH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]O)(C[6]C[6]CH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]CC)(CCHH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]O)(C[6]C[6]CH)(CH3){1|O<2>,3|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]C)	106.4060	0.000	1	106.1510	0.130	2	105.4455	0.460	10	105.8795	0.830	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]CC)(CCHH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]O)(C[6]C[6]CH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]CC)(CCHH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]O)(C[6]C[6]CH)(CH3){2|H<1>,2|O<2>,6|C<4>}	H(C[6]C[6,6]C[6]C)	105.8960	0.000	1	106.1510	0.130	2	105.4455	0.460	10	105.8795	0.830	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHH)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3){2|H<1>,2|O<2>,6|C<4>}	H(C[6]C[6,6]C[6]C)	106.0365	0.339	2	106.0365	0.115	2	105.4455	0.460	10	105.8795	0.830	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]C)	105.6030	0.000	1	105.6030	0.000	1	105.4455	0.460	10	105.8795	0.830	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHO)(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3){2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]C)	104.5410	0.000	1	104.8954	0.166	5	105.4455	0.460	10	105.8795	0.830	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3){1|C<3>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]C)	104.9840	0.412	4	104.8954	0.166	5	105.4455	0.460	10	105.8795	0.830	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6]O)(C[6]C[6]CH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6]O)(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]C)	105.7770	0.000	1	105.7770	0.000	1	105.7770	0.000	1	105.8795	0.830	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6]C[3,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6]C[3,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	106.7870	0.000	1	106.7870	0.000	1	106.9900	0.218	4	105.8795	0.830	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3){3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	107.1280	0.000	1	107.1280	0.000	1	106.9900	0.218	4	105.8795	0.830	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){3|C<3>,4|H<1>}	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]C)	106.4790	0.000	1	106.4790	0.000	1	106.9900	0.218	4	105.8795	0.830	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6]C[5a,6]HO)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6]C[5a,6]HO)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]C)	107.5660	0.000	1	107.5660	0.000	1	106.9900	0.218	4	105.8795	0.830	15	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[5]C[5,6]C[5]H)(C[6]O[6]HH)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5]C[6]H)(O[6]C[6])(H)	H(C[6]C[6,6]C[5]C[6])	C[6](C[6,6]C[6,6]O[6]H)(C[5]C[5,6]C[5]H)(C[6]O[6]HH)(H){1|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5]C[6]H)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[5]C[6])	106.7640	0.000	1	106.7640	0.000	1	106.7640	0.000	1	108.0594	1.640	20	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]C)	107.2470	0.000	1	107.2470	0.000	1	106.9892	0.400	4	108.0594	1.640	20	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(O[6]S[6])(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CCCH)(H){1|S<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(O[6]S[6])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]C)	106.4740	0.079	2	106.4740	0.006	2	106.9892	0.400	4	108.0594	1.640	20	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)(CH3)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	107.7620	0.000	1	107.7620	0.000	1	106.9892	0.400	4	108.0594	1.640	20	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CCCH)(H){3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	107.1640	0.386	2	107.1640	0.149	2	107.6718	0.484	5	108.0594	1.640	20	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	108.6180	0.000	1	108.6180	0.000	1	107.6718	0.484	5	108.0594	1.640	20	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CC[5]HH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CC[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	108.1380	0.000	1	108.1380	0.000	1	107.6718	0.484	5	108.0594	1.640	20	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]CH)(CH3)(H)	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]CH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]CH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]CH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	107.2750	0.000	1	107.2750	0.000	1	107.6718	0.484	5	108.0594	1.640	20	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:N-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NIrHH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NIrHH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<4>,1|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]N)	110.0270	2.169	2	110.0270	4.706	2	109.0550	1.571	8	108.0594	1.640	20	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:N-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NRhHH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NRhHH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H){1|C<4>,1|N<4>,1|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]N)	109.3420	0.000	1	108.7310	0.755	6	109.0550	1.571	8	108.0594	1.640	20	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:N-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NRhHH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NRhHH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<4>,1|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]N)	108.6088	0.912	5	108.7310	0.755	6	109.0550	1.571	8	108.0594	1.640	20	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:S-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(SC[6a]OO)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HS)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]S)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(SC[6a]OO)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HS)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]S)	107.8340	1.409	2	107.8340	1.984	2	107.8340	1.984	2	108.0594	1.640	20	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:O[6]-2:O-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]O[6]O)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[6]CH)(O[6]O[6])(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]O[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[6]CH)(O[6]O[6])(OH){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]C)	107.0770	0.000	2	107.0770	0.000	2	107.0770	0.000	2	106.0213	0.529	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]O[6]CH)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(O[6]C[6])(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]O[6]O)(C[6]O[6]CH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(O[6]C[6])(OH){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]C)	105.6460	0.000	1	105.6460	0.000	1	105.6460	0.000	1	106.0213	0.529	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(O[6]C[6,6])(O[6]C[6])	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(O[6]C[6,6])(O[6]C[6]){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	105.5390	0.108	3	105.5390	0.012	3	105.5872	0.017	4	106.0213	0.529	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(O[6]C[6])2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CCCH)(H){3|C<4>,4|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(O[6]C[6])2{4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	105.7320	0.000	1	105.7320	0.000	1	105.5872	0.017	4	106.0213	0.529	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(CH3)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(C[6,6]C[6]2)(H)	H(C[6]C[5,6]C[6,6]C)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(CH3)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6,6]C)	106.6833	1.370	4	106.6833	1.876	4	106.6833	1.876	4	107.1801	0.876	30	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5]O[5]C)(C[6]C[6]HH)(H)	C[6,6](C[6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[5]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5]O[5]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|O<2>,4|H<1>,6|C<4>}	H(C[6]C[6,6]C[5]C[6])	106.8400	0.000	1	106.8400	0.000	1	106.8400	0.000	1	107.1801	0.876	30	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(CH3)(H)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]CH)(C[6]C[6,6a]O)(H)	H(C[6]C[6,6]2C)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(CH3)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]CH)(C[6]C[6,6a]O)(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6,6]2C)	108.4570	0.000	1	108.4570	0.000	1	108.4570	0.000	1	107.1801	0.876	30	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(CCHH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(CCHH)(H){1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	108.7550	0.000	1	108.7550	0.000	1	108.0860	0.370	4	107.1801	0.876	30	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]C)(H){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	108.4420	0.000	1	108.4420	0.000	1	108.0860	0.370	4	107.1801	0.876	30	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HH)(CH3)(H)	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HH)(CH3)(H){1|C<3>,1|O<1>,3|C<4>}	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	107.6500	0.000	1	107.6500	0.000	1	108.0860	0.370	4	107.1801	0.876	30	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H)	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H){1|O<1>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	107.4970	0.000	1	107.4970	0.000	1	108.0860	0.370	4	107.1801	0.876	30	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]N[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]CH)(N[6]C[6]S)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]N[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]CH)(N[6]C[6]S)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	106.3090	0.000	1	106.3090	0.000	1	106.3090	0.000	1	107.1801	0.876	30	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:B[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]B[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(B[6]O[6]O)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]B[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(B[6]O[6]O)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	107.5300	0.000	1	107.5300	0.000	1	107.5300	0.000	1	107.1801	0.876	30	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	106.9670	0.000	1	106.9670	0.000	1	107.0661	0.678	18	107.1801	0.876	30	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	106.6300	0.000	1	106.7778	0.052	6	107.0661	0.678	18	107.1801	0.876	30	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	106.9380	0.000	1	106.7778	0.052	6	107.0661	0.678	18	107.1801	0.876	30	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	107.1130	0.000	1	106.7778	0.052	6	107.0661	0.678	18	107.1801	0.876	30	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	106.8590	0.000	1	106.7778	0.052	6	107.0661	0.678	18	107.1801	0.876	30	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	106.5635	0.028	2	106.7778	0.052	6	107.0661	0.678	18	107.1801	0.876	30	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	106.8510	0.000	1	107.0865	0.111	2	107.0661	0.678	18	107.1801	0.876	30	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]O)(H){1|N<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	107.3220	0.000	1	107.0865	0.111	2	107.0661	0.678	18	107.1801	0.876	30	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H){3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	107.7090	0.000	1	107.7090	0.000	1	107.0661	0.678	18	107.1801	0.876	30	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	107.2160	0.000	2	107.2160	0.000	2	107.0661	0.678	18	107.1801	0.876	30	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H){3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]C)	106.2520	2.632	2	106.2520	6.927	2	107.0661	0.678	18	107.1801	0.876	30	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	107.9570	0.000	1	107.9570	0.000	1	107.0661	0.678	18	107.1801	0.876	30	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H){1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	107.6170	0.000	1	107.6170	0.000	1	107.0661	0.678	18	107.1801	0.876	30	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6,6]C[6]C)	107.1840	0.000	1	107.5815	0.316	2	107.0661	0.678	18	107.1801	0.876	30	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H){1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	107.9790	0.000	1	107.5815	0.316	2	107.0661	0.678	18	107.1801	0.876	30	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(CH3)(H)	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]CH)(C[6]C[6]O)(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(CH3)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]CH)(C[6]C[6]O)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	106.1835	0.325	2	106.1835	0.105	2	106.9020	1.601	3	105.9496	1.359	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]C)(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]C)(OH){3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	108.3390	0.000	1	108.3390	0.000	1	106.9020	1.601	3	105.9496	1.359	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:S[6]-3:S[6]-2:	C[6]-4:	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(S[6]C[6]O)(S[6]C[6])	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(CCCH)(H){1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(S[6]C[6]O)(S[6]C[6]){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]C)	105.0820	0.000	1	105.2352	0.063	4	105.2352	0.063	4	105.9496	1.359	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:S[6]-3:S[6]-2:	C[6]-4:	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(S[6]C[6]O)(S[6]C[6])	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(CCCH)(H){1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(S[6]C[6]O)(S[6]C[6]){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	105.2863	0.281	3	105.2352	0.063	4	105.2352	0.063	4	105.9496	1.359	7	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CCO)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CCO){2|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]C)	106.6040	0.000	1	106.6040	0.000	1	106.9746	0.509	5	106.7172	0.805	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CC[6a]O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CC[6a]O){2|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]C)	106.1180	0.000	1	106.1180	0.000	1	106.9746	0.509	5	106.7172	0.805	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(COO)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(COO){2|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]C)	106.7190	0.000	1	106.7190	0.000	1	106.9746	0.509	5	106.7172	0.805	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CHO)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|H<1>,2|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CHO){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	107.7160	0.000	2	107.7160	0.000	2	106.9746	0.509	5	106.7172	0.805	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]CH)(CCHH)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(C[6]C[6]O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]3)(C[6]C[6]CH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	105.4300	0.000	1	105.4300	0.000	1	105.4300	0.000	1	106.7172	0.805	6	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(CCHH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(CCHH){4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	106.5790	0.000	1	106.5790	0.000	1	106.5790	0.000	1	106.0686	2.544	5	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|N<2>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	106.6190	0.000	1	106.6190	0.000	1	105.9410	3.284	4	106.0686	2.544	5	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CH)(C[6]C[6]O)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CH)(C[6]C[6]O)(CH3){2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]C)	106.3720	0.000	1	106.3720	0.000	1	105.9410	3.284	4	106.0686	2.544	5	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH)(H){1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	107.4590	0.000	1	107.4590	0.000	1	105.9410	3.284	4	106.0686	2.544	5	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,3|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]C)	103.3140	0.000	1	103.3140	0.000	1	105.9410	3.284	4	106.0686	2.544	5	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(CHHO)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6,6]C)	C[6](C[5,6]O[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(CHHO)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	H(C[6]C[5,6]C[6,6]C)	107.1270	0.000	1	107.1270	0.000	1	107.1270	0.000	1	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[3]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[3]C[3,6]2H)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[3]C[6]H)(C[6]O[6]CH)(H)	H(C[6]C[6,6]C[3]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[3]C[3,6]2H)(C[6]C[6]CH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[3]C[6]H)(C[6]O[6]CH)(H){4|H<1>,5|C<4>}	H(C[6]C[6,6]C[3]C[6])	108.3870	0.000	1	108.3870	0.000	1	108.3870	0.000	1	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]S[5]2)(CCHH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6,6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]S[5]2)(CCHH)(H){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|S<2>,4|H<1>}	H(C[6]C[5,6]C[6,6]C)	107.0920	0.000	1	107.0920	0.000	1	107.0920	0.000	1	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5,6]C[5]H)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5]C[6]H)(C[6]O[6]CH)(H)	H(C[6]C[6,6]C[5]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5,6]C[5]H)(C[6]C[6]CH)(H){1|C<3>,3|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5]C[6]H)(C[6]O[6]CH)(H){4|H<1>,5|C<4>}	H(C[6]C[6,6]C[5]C[6])	107.3000	0.000	1	107.3000	0.000	1	107.3000	0.000	1	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6]CH)(CH3)(H)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6]CH)(CH3)(H){1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	107.5870	0.000	1	107.5870	0.000	1	107.5870	0.000	1	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(CH3)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	107.6230	0.000	1	107.5315	0.345	4	106.9692	1.061	17	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(CH3)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	106.6780	0.000	1	107.5315	0.345	4	106.9692	1.061	17	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(CH3)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	107.9125	0.088	2	107.5315	0.345	4	106.9692	1.061	17	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<2>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	108.0350	0.000	1	107.5767	1.442	3	106.9692	1.061	17	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	108.4810	0.000	1	107.5767	1.442	3	106.9692	1.061	17	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	106.2140	0.000	1	107.5767	1.442	3	106.9692	1.061	17	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]HH)(CH3)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]HH)(CH3)(H){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6a]C[6]H)(C[6]C[6]CH)(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]C)	108.3170	0.000	1	108.3170	0.000	1	106.9692	1.061	17	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HN)(CH3)(H)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HN)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<2>,2|C<4>,3|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]C)	105.6970	0.000	1	105.6970	0.000	1	106.9692	1.061	17	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,4|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]C)	106.4509	0.854	8	106.4509	0.729	8	106.9692	1.061	17	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(CCCH)(H){2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]C)	103.3800	0.000	1	103.3800	0.000	1	103.3800	0.000	1	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	106.6623	0.095	4	106.6623	0.009	4	106.9940	0.622	12	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	106.5065	0.012	2	106.6600	0.033	4	106.9940	0.622	12	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	106.8135	0.071	2	106.6600	0.033	4	106.9940	0.622	12	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[5,6,6]C[5,6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]C)	108.6480	0.358	2	108.6480	0.128	2	106.9940	0.622	12	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	106.5590	0.000	1	106.5590	0.000	1	106.9940	0.622	12	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[5,6,6]N[5,6]C[6]O[5])(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]N[5,6]C[6]O[5])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	106.7840	0.000	1	106.7840	0.000	1	106.9940	0.622	12	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(CCHH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(CCHH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H){1|C<3>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	108.1410	0.000	1	108.1410	0.000	1	107.6683	0.252	3	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(CH3)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	107.7220	0.000	1	107.7220	0.000	1	107.6683	0.252	3	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]C)	107.1420	0.000	1	107.1420	0.000	1	107.6683	0.252	3	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(CCHH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(CCHH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H){3|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	107.7170	0.000	1	107.7170	0.000	1	107.7170	0.000	1	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H){2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	106.9570	0.000	1	105.3070	5.413	3	104.5393	3.076	7	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H){2|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]CH)(H){1|C<3>,5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]C)	106.3180	0.000	1	105.3070	5.413	3	104.5393	3.076	7	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H){2|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]CH)(H){6|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]C)	102.6460	0.000	1	105.3070	5.413	3	104.5393	3.076	7	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2O)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CCCH)(H){2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2O)(C[6]C[6]CH)(H){1|O<2>,4|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]C)	103.3507	0.118	3	103.3507	0.014	3	104.5393	3.076	7	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CCHH)(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H){2|C<3>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]C)	105.8020	0.000	1	105.8020	0.000	1	104.5393	3.076	7	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(CCHH)(H)	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(CCHH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	106.1150	0.000	1	106.1150	0.000	1	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(CCCH)(H)	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(CCCH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	107.6150	0.000	1	107.6150	0.000	1	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(CH3)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(CH3)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.9040	0.153	2	107.9040	0.023	2	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]C[6]C)(CCHH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]C[6]C)(CCHH)(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]C)	105.8840	0.000	1	105.8395	0.004	2	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]C[6]C)(CCHH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]C[6]C)(CCHH)(H){1|N<2>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	105.7950	0.000	1	105.8395	0.004	2	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	107.5417	0.439	3	107.7590	0.317	4	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CH3)(H){2|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]C)	108.4110	0.000	1	107.7590	0.317	4	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]C)	108.7695	0.029	2	108.7695	0.001	2	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]C)	105.8030	0.000	1	105.6610	0.040	2	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	105.5190	0.000	1	105.6610	0.040	2	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	106.4754	1.054	5	106.4754	1.110	5	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]C)	107.1630	0.214	5	107.1630	0.046	5	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	103.0285	3.637	2	103.0285	13.225	2	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	104.4690	0.000	1	104.4690	0.000	1	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	106.2490	0.431	2	105.8323	0.614	3	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HO)(H){5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	104.9990	0.000	1	105.8323	0.614	3	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	108.0440	0.000	1	107.1910	0.589	3	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]C)	106.7645	0.295	2	107.1910	0.589	3	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[6,6]C[6]N[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<2>,1|N<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	106.5690	0.000	1	106.5690	0.000	1	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6]HH)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6]HH)(H){1|N<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	106.8410	0.000	1	106.8410	0.000	1	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(H){1|N<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	106.3930	0.000	1	106.3930	0.000	1	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]C)	108.0660	0.000	1	108.0660	0.000	1	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]C)	109.3547	1.283	3	109.3547	1.646	3	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HO)(H){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	105.5820	0.013	2	105.5820	0.000	2	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	108.2850	0.000	1	108.2850	0.000	1	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]C)	104.4070	0.000	1	104.4070	0.000	1	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)2(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)2(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	108.4360	0.000	1	108.4360	0.000	1	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	108.4070	0.000	1	108.0970	0.111	4	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	108.1690	0.000	1	108.0970	0.111	4	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]C)	107.9060	0.399	2	108.0970	0.111	4	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(C[6]O[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(C[6]O[6]CH)(H){3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.6365	0.073	2	107.6365	0.005	2	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]O[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|O<2>,5|H<1>}	C[6,6](C[6,6]O[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	107.0980	0.000	1	107.0980	0.000	1	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(H)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]C)	108.0320	0.529	2	108.0320	0.280	2	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(CC[6a]HH)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(CC[6a]HH)(H){2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	104.9045	0.296	2	104.9045	0.088	2	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	107.5320	0.000	1	107.5320	0.000	1	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	107.3730	0.000	1	107.3730	0.000	1	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	108.6170	0.000	2	108.0967	0.564	6	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.2040	0.000	2	108.0967	0.564	6	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]C)	108.9210	0.000	1	108.0967	0.564	6	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	108.0170	0.000	1	108.0967	0.564	6	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]C)	106.5790	0.000	1	106.5790	0.000	1	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	106.3270	0.197	2	106.1303	0.135	3	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){2|C<4>,2|O<2>,6|H<1>}	H(C[6]C[6,6]C[6]C)	105.7370	0.000	1	106.1303	0.135	3	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)2(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)2(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]C)	107.8030	0.000	1	107.8030	0.000	1	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]OO)(CH3)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]OO)(CH3)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]C)	106.2150	0.000	1	106.2150	0.000	1	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHO)(H)	C[6,6](C[6,6]C[5,5,6,6]CH)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHO)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,5,6,6]CH)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,2|N<3>}	H(C[6]C[6,6]C[6]C)	106.6350	0.000	1	106.6350	0.000	1	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)(CCHH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]C)	107.8530	0.000	1	107.8530	0.000	1	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CO)(CC[6a]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CO)(CC[6a]HH)(H){3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]C)	106.3650	0.000	1	106.3650	0.000	1	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HO)(CC[6a]CH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HO)(CC[6a]CH)(H){3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|N<3>,2|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]C)	107.8450	0.000	1	107.8450	0.000	1	107.0126	2.087	74	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(N[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(N[6]C[6]HH)(H){2|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]C)	106.0070	0.000	1	106.0070	0.000	1	106.6760	0.895	2	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CN[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(N[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CN[6]HH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(N[6]C[6]HH)(H){2|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]C)	107.3450	0.000	1	107.3450	0.000	1	106.6760	0.895	2	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CHHN)(H)	C[6,6](C[6]C[6,6a]HH)(C[6,6]O[6]2H)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CHHN)(H){2|C<3>,3|H<1>,3|O<2>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]O[6]2H)(C[6]C[6]CH)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]C)	108.1635	0.302	2	108.1635	0.091	2	108.0600	0.078	3	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]N[6]O[6]H)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]N[6]O[6]H)(C[6]C[6]CH)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]C)	107.8530	0.000	1	107.8530	0.000	1	108.0600	0.078	3	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](N[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	C[6,6](N[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]C)	108.3495	0.159	2	108.3495	0.025	2	108.3495	0.025	2	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-4:Cl-1:	C[6]-4:	C[6](C[6,6]C[3x6]2Cl)(C[6]C[6]HO)(C[6]N[6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)2(C[6]C[6]2H)(Cl)	H(C[6]C[6,6]C[6]2)	C[6](C[6,6]C[3x6]2Cl)(C[6]C[6]HO)(C[6]N[6]HH)(H){1|S<4>,4|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(C[6]C[6]2H)(Cl){11|H<1>,1|N<3>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]2)	105.7490	1.345	2	105.7490	1.809	2	105.7490	1.809	2	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]H)(C[6]C[6]2H)(H)	H(C[6]C[6,6]C[6]2)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)2(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]H)(C[6]C[6]2H)(H){2|C<4>,5|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]2)	108.5080	0.000	1	108.5080	0.000	1	108.5080	0.000	1	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]2H)(H)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]2)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]2H)(H){2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]2)	106.8830	0.000	1	106.8830	0.000	1	106.8830	0.000	1	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:N-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(NH3)(H)	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(NH3)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]N)	107.8060	0.000	1	107.8060	0.000	1	107.8060	0.000	1	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	N[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(CCCH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]CH)(H)	H(C[6]C[6,6]N[6,6]C)	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(CCCH)(H){1|N<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]CH)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]N[6,6]C)	106.7260	0.000	1	106.8025	0.012	2	106.8025	0.012	2	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	N[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(CCCH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]CH)(H)	H(C[6]C[6,6]N[6,6]C)	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(CCCH)(H){1|N<4>,4|C<4>,6|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]CH)(H){5|C<4>,5|H<1>}	H(C[6]C[6,6]N[6,6]C)	106.8790	0.000	1	106.8025	0.012	2	106.8025	0.012	2	106.9197	2.032	134	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[5]O[5]2H)(C[6]C[6]HH)(H)	C[6,6](C[6]C[5]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[5]C[6])	C[6](C[6,6]C[6]2O[6])(C[5]O[5]2H)(C[6]C[6]HH)(H){5|H<1>,6|C<4>}	C[6,6](C[6]C[5]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(O[6]C[6]){2|O<2>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[5]C[6])	105.7330	0.000	1	105.7330	0.000	1	105.7330	0.000	1	106.4788	4.044	28	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(CH3)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]2C)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(CH3)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6,6]2C)	108.4070	0.000	1	108.4070	0.000	1	108.4070	0.000	1	106.4788	4.044	28	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]N)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(NN)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]N)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(NN){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	106.9840	0.000	1	106.9840	0.000	1	106.9840	0.000	1	106.4788	4.044	28	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	105.3300	0.000	1	105.3300	0.000	1	105.3300	0.000	1	106.4788	4.044	28	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[3,6]HH)(CH3)(H)	C[6,6](C[6,6]C[3,6]C[6]H)(C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[3,6]HH)(CH3)(H){2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH){1|C<3>,1|O<1>,2|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	108.4260	0.000	1	108.4260	0.000	1	108.4260	0.000	1	106.4788	4.044	28	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]CO)(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(CCCH)(H){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]CO)(OH){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	103.6513	0.155	3	103.6513	0.024	3	106.3234	6.319	16	106.4788	4.044	28	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(CH3)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|Cl<1>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]C)	106.8900	0.021	2	106.8900	0.000	2	106.3234	6.319	16	106.4788	4.044	28	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CCCH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	105.7860	0.000	1	105.7860	0.000	1	106.3234	6.319	16	106.4788	4.044	28	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CCCH)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(OH){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	105.2450	0.000	1	105.2450	0.000	1	106.3234	6.319	16	106.4788	4.044	28	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(OH){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]C)	105.5585	0.152	2	105.5585	0.023	2	106.3234	6.319	16	106.4788	4.044	28	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	106.0800	0.000	1	106.0800	0.000	1	106.3234	6.319	16	106.4788	4.044	28	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	107.1460	0.000	1	107.1460	0.000	1	106.3234	6.319	16	106.4788	4.044	28	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HN)(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HN)(OH){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	107.5830	0.000	1	107.5830	0.000	1	106.3234	6.319	16	106.4788	4.044	28	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HO)(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HO)(OH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]C)	107.5330	0.000	1	107.5330	0.000	1	106.3234	6.319	16	106.4788	4.044	28	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(OH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	110.6840	5.018	2	108.6500	25.000	3	106.3234	6.319	16	106.4788	4.044	28	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(OH){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	104.5820	0.000	1	108.6500	25.000	3	106.3234	6.319	16	106.4788	4.044	28	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(O[6]C[6,6])	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(CH3)(H){4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(O[6]C[6,6]){6|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]C)	106.8625	0.023	2	106.8625	0.001	2	106.8625	0.001	2	106.4788	4.044	28	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6]C[5]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CCCH)(H){4|C<4>,5|H<1>}	C[6,6](C[6]C[5]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(O[6]C[6]){2|O<2>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]C)	105.3130	0.000	1	105.3130	0.000	1	106.3256	0.992	5	106.4788	4.044	28	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(C[6]C[6]HO)(O[6]C[6])	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(C[6]C[6]HO)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	106.6365	0.162	2	106.6365	0.026	2	106.3256	0.992	5	106.4788	4.044	28	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6]C[6]CH)2(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CH3)(H){4|C<4>,5|H<1>}	C[6,6](C[6]C[6]CH)2(C[6]C[6]HH)(O[6]C[6]){1|N<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	107.6710	0.000	1	107.6710	0.000	1	106.3256	0.992	5	106.4788	4.044	28	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HN)(CH3)(H)	C[6,6](C[6]C[6]CH)2(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HN)(CH3)(H){4|H<1>,5|C<4>}	C[6,6](C[6]C[6]CH)2(C[6]C[6]HH)(O[6]C[6]){1|N<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	105.3710	0.000	1	105.3710	0.000	1	106.3256	0.992	5	106.4788	4.044	28	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CCO)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH)(H){1|N<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CCO){3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	106.0990	0.000	1	106.0990	0.000	1	106.6990	0.720	2	106.0663	1.077	13	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CH)(C[6]N[6]HH)(COO)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CH)(C[6]N[6]HH)(COO){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	107.2990	0.000	1	107.2990	0.000	1	106.6990	0.720	2	106.0663	1.077	13	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]O[6]HH)(C[6]C[6]O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]O[6]HH)(C[6]C[6]O){2|C<3>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]C)	103.8910	0.000	1	103.8910	0.000	1	103.8910	0.000	1	106.0663	1.077	13	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]N[6]O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCCH)(H){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]N[6]O){3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	106.1695	0.098	2	106.1695	0.010	2	106.4193	0.192	3	106.0663	1.077	13	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]N[6]O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCHH)(H){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]N[6]O){2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]C)	106.9190	0.000	1	106.9190	0.000	1	106.4193	0.192	3	106.0663	1.077	13	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(N[6]C[6]C)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(CH3)(H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(N[6]C[6]C){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	104.9540	0.000	1	104.9540	0.000	1	106.0880	0.704	4	106.0663	1.077	13	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(CHHO)(H)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(N[6]C[6]H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(CHHO)(H){3|C<4>,7|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(N[6]C[6]H){2|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]C)	106.2115	0.093	2	106.2115	0.009	2	106.0880	0.704	4	106.0663	1.077	13	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HO)(CCHH)(H)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(N[6]C[6]C)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HO)(CCHH)(H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(N[6]C[6]C){1|N<2>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	106.9750	0.000	1	106.9750	0.000	1	106.0880	0.704	4	106.0663	1.077	13	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]N[5]H)(C[6]O[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)	H(C[6]C[6,6]C[6]2)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]N[5]H)(C[6]O[6]HH)(H){3|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C){1|C<4>,1|N<4>,2|C<3>,2|O<2>,8|H<1>}	H(C[6]C[6,6]C[6]2)	104.4840	0.000	1	104.4840	0.000	1	104.4840	0.000	1	106.0663	1.077	13	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[6]-4:C[6,6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6,6]C[6]3)(CH3)(H)	C[6,6](C[6]C[5a,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[6]N[6]O)	H(C[6]C[6,6]C[6]C)	C[6](C[6]C[5a,6]HH)(C[6,6]C[6]3)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,2|N<3>,4|H<1>}	C[6,6](C[6]C[5a,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[6]N[6]O){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]C)	106.7395	0.626	2	106.7395	0.392	2	106.7395	0.392	2	106.0663	1.077	13	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(CCHH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[3,6]C[6,6]C)	C[6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(CCHH)(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[3,6]C[6,6]C)	106.2740	0.000	1	106.2740	0.000	1	106.2065	0.009	2	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[3,6]C[6,6]C)	C[6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(CCHH)(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[3,6]C[6,6]C)	106.1390	0.000	1	106.1390	0.000	1	106.2065	0.009	2	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6,6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6,6]C[5,6,6]C[6]C)(CCHH)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)	H(C[6]C[5,6]C[6,6]C)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6,6]C[5,6,6]C[6]C)(CCHH)(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[5,6]CH)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6,6]C)	105.3320	0.273	3	105.3320	0.075	3	105.3320	0.075	3	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a,6]HO)(C[6]C[6]CH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a,6]HO)(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]C)	106.3860	0.000	1	106.3860	0.000	1	106.3860	0.000	1	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[3,6]C[3,5,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3,6]C[3,5,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	106.8210	0.000	1	106.8210	0.000	1	106.8210	0.000	1	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(CH3){2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]C)	106.5460	0.000	1	106.5460	0.000	1	107.0255	0.460	2	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]CH)(CH3){3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	107.5050	0.000	1	107.5050	0.000	1	107.0255	0.460	2	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[5,3x6]C[5,6]2C[6,6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,6]2C[6,6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]C)	106.5510	0.000	1	106.5510	0.000	1	106.5510	0.000	1	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5]C[6]C)(CCHH)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5]C[6]C)(CCHH)(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]C)	105.6750	0.294	2	105.6750	0.087	2	105.6133	1.312	9	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H){1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]C)	103.9610	0.000	1	103.9610	0.000	1	105.6133	1.312	9	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]C)	107.4430	0.000	1	107.0720	0.275	2	105.6133	1.312	9	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]C)	106.7010	0.000	1	107.0720	0.275	2	105.6133	1.312	9	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[5,6,6]C[6,6a]C[5,6]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[6,6a]C[5,6]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]C)	106.5590	0.000	1	106.5590	0.000	1	105.6133	1.312	9	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HH)(CCHH)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CHHO)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HH)(CCHH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CHHO){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]C)	105.1860	0.000	1	104.7465	0.386	2	105.6133	1.312	9	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HH)(CCHH)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CHHO)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HH)(CCHH)(H){2|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CHHO){1|N<3>,1|O<2>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]C)	104.3070	0.000	1	104.7465	0.386	2	105.6133	1.312	9	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HH)(CCHH)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HO)(CHHO)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HO)(CHHO){1|C<3>,1|N<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	105.0130	0.000	1	105.0130	0.000	1	105.6133	1.312	9	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(H){4|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3){6|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]C)	107.2650	0.000	1	107.2650	0.000	1	106.0150	1.717	3	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]C)	106.1280	0.000	1	106.1280	0.000	1	106.0150	1.717	3	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]N[5,6]HH)(CCHH)(H)	C[6,6](C[5,6]C[5,5]C[5]C[6])(C[6,6]C[5,6,6]HO)(C[6]C[6]CH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]N[5,6]HH)(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[5,6]C[5,5]C[5]C[6])(C[6,6]C[5,6,6]HO)(C[6]C[6]CH)(CH3){1|C<3>,1|N<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	104.6520	0.000	1	104.6520	0.000	1	106.0150	1.717	3	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]2)(C[6]N[6]HH)(CCHH)(H)	C[6,6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6]C[6]2)(C[6]N[6]HH)(CCHH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(C[6]O[6]HH){1|C<3>,1|N<3>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]C)	105.0410	0.000	1	105.0410	0.000	1	105.0410	0.000	1	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CH)(CH3){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]C)	105.4500	0.000	1	105.4500	0.000	1	105.4500	0.000	1	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]CO)(CHHO)(H)	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]CO)(CHHO)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]C)	105.8100	0.000	1	105.8100	0.000	1	105.6559	1.096	47	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[4]C[6]C)(CCHH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[4]C[6]C)(CCHH)(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]C)	104.9540	0.000	1	104.9540	0.000	1	105.6559	1.096	47	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5]C[6]H)(CCHH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5]C[6]H)(CCHH)(H){2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	107.0850	0.000	1	107.0850	0.000	1	105.6559	1.096	47	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]BrH)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]BrH)(CH3)(H){1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|Br<1>,1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	107.6130	0.147	2	107.6130	0.022	2	105.6559	1.096	47	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	105.8450	1.738	2	105.3383	0.816	6	105.6559	1.096	47	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]C)	105.1770	0.000	1	105.3383	0.816	6	105.6559	1.096	47	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){4|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]C)	105.0543	0.373	3	105.3383	0.816	6	105.6559	1.096	47	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(H){1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	107.1290	0.000	1	107.1290	0.000	1	105.6559	1.096	47	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CHHO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CHHO)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	106.1250	0.000	1	106.1250	0.000	1	105.6559	1.096	47	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	104.2330	0.000	1	104.9109	0.226	12	105.6559	1.096	47	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]C)	104.9725	0.445	11	104.9109	0.226	12	105.6559	1.096	47	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CC[5]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CC[5]HH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]C)	105.1500	0.000	1	105.1500	0.000	1	105.6559	1.096	47	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CC[6a]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CC[6a]HH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]C)	104.8877	0.097	3	104.8877	0.009	3	105.6559	1.096	47	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHI)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHI)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]C)	105.4200	0.000	1	105.4200	0.000	1	105.6559	1.096	47	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]C)	105.0650	0.000	1	105.2240	0.051	2	105.6559	1.096	47	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]C)	105.3830	0.000	1	105.2240	0.051	2	105.6559	1.096	47	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	105.5270	0.000	1	105.5270	0.000	1	105.6559	1.096	47	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	H(C[6]C[6,6]C[6]C)	106.9150	0.000	1	106.9150	0.000	1	105.6559	1.096	47	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	106.9655	0.083	2	106.9655	0.007	2	105.6559	1.096	47	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	106.8600	0.011	2	106.8600	0.000	2	105.6559	1.096	47	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]CH)(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.2340	0.000	1	107.2340	0.000	1	105.6559	1.096	47	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	107.2370	0.000	1	107.2895	0.006	2	105.6559	1.096	47	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	107.3420	0.000	1	107.2895	0.006	2	105.6559	1.096	47	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	105.3400	0.000	1	105.3400	0.000	1	105.6559	1.096	47	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	105.8730	0.000	1	105.8730	0.000	1	105.6559	1.096	47	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	105.7270	0.000	1	105.7270	0.000	1	105.6559	1.096	47	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CHHO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CHHO)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]C)	105.6310	0.000	1	105.6310	0.000	1	105.6559	1.096	47	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]HH)(CCHH)(H)	C[6,6](C[6,6]C[6,6]C[5]C)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]HH)(CCHH)(H){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[5]C)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	104.1890	1.092	2	104.1890	1.192	2	105.6559	1.096	47	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H){1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(C[6]O[6]HH){2|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]C)	103.1690	0.000	1	103.1690	0.000	1	104.1080	1.202	3	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(C[6]O[6]HH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H){2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(C[6]O[6]HH){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]C)	105.3130	0.000	1	105.3130	0.000	1	104.1080	1.202	3	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(C[6]O[6]HH){2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	103.8420	0.000	1	103.8420	0.000	1	104.1080	1.202	3	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6]C[5,6,6]HO)(C[6,6]C[6]2O)(C[6]C[6]CH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6]C[5,6,6]HO)(C[6,6]C[6]2O)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	106.1280	0.000	1	106.1280	0.000	1	106.1280	0.000	1	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]CC)(CHHO)(H)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]O[6]HH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]3)(C[6]C[6]CC)(CHHO)(H){1|O<2>,2|C<4>,8|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]O[6]HH){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	106.4030	0.000	1	106.4030	0.000	1	106.4030	0.000	1	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O[6]H)(C[6]C[6]CO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]2)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O[6]H)(C[6]C[6]CO)(H){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]2)	104.0500	0.000	1	104.0500	0.000	1	104.0500	0.000	1	105.6624	1.133	77	108.9113	0.972	26176	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	2:4:1:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[5,6,6])(C[6]O[6]HH)(H)2	C[6](O[6]C[5,6,6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](O[6]C[5,6,6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	C[6](O[6]C[5,6,6])(C[6]O[6]HH)(H)2{1|C<4>,2|N<3>}	H(C[6]C[6]O[6]H)	109.8865	0.731	4	109.8386	0.267	8	109.2379	1.319	399	109.2031	1.221	438	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	2:4:1:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[5,6,6])(C[6]O[6]HH)(H)2	C[6](O[6]C[5,6,6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](O[6]C[5,6,6])(C[6]O[6]HH)(H)2{1|C<4>,2|N<3>}	C[6](O[6]C[5,6,6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[6]C[6]O[6]H)	109.7908	0.285	4	109.8386	0.267	8	109.2379	1.319	399	109.2031	1.221	438	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	2:4:1:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	H(C[6]C[6]O[6]H)	109.2028	1.184	267	109.2028	1.401	267	109.2379	1.319	399	109.2031	1.221	438	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	2:4:1:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]O[6]HH)(H)2	C[6](O[6]C[6,6a])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]O[6]HH)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]O[6]HH)(H)2{2|C<3>}	H(C[6]C[6]O[6]H)	109.2748	1.094	124	109.2748	1.196	124	109.2379	1.319	399	109.2031	1.221	438	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	2:4:1:1:	4:	S[6]-2:C[6]-4:H-1:H-1:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](S[6]C[5a,6])(C[6]S[6]HH)(H)2	C[6](S[6]C[5a,6])(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](S[6]C[5a,6])(C[6]S[6]HH)(H)2{1|C<3>,1|S<2>}	C[6](S[6]C[5a,6])(C[6]S[6]HH)(H)2{2|C<3>}	H(C[6]C[6]S[6]H)	108.7500	0.358	4	108.8433	0.077	31	108.8467	0.084	39	109.2031	1.221	438	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	2:4:1:1:	4:	S[6]-2:C[6]-4:H-1:H-1:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](S[6]C[5a,6])(C[6]S[6]HH)(H)2	C[6](S[6]C[5a,6])(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](S[6]C[5a,6])(C[6]S[6]HH)(H)2{2|C<3>}	C[6](S[6]C[5a,6])(C[6]S[6]HH)(H)2{1|C<3>,1|S<2>}	H(C[6]C[6]S[6]H)	108.5563	0.319	4	108.8433	0.077	31	108.8467	0.084	39	109.2031	1.221	438	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	2:4:1:1:	4:	S[6]-2:C[6]-4:H-1:H-1:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](S[6]C[5a,6])(C[6]S[6]HH)(H)2	C[6](S[6]C[5a,6])(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](S[6]C[5a,6])(C[6]S[6]HH)(H)2{2|C<3>}	C[6](S[6]C[5a,6])(C[6]S[6]HH)(H)2{2|C<3>}	H(C[6]C[6]S[6]H)	108.9094	0.230	23	108.8433	0.077	31	108.8467	0.084	39	109.2031	1.221	438	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	2:4:1:1:	4:	S[6]-2:C[6]-4:H-1:H-1:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]S[6]HH)(H)2	C[6](S[6]C[6,6a])(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](S[6]C[6,6a])(C[6]S[6]HH)(H)2{2|C<3>}	C[6](S[6]C[6,6a])(C[6]S[6]HH)(H)2{2|C<3>}	H(C[6]C[6]S[6]H)	108.8599	0.357	8	108.8599	0.128	8	108.8467	0.084	39	109.2031	1.221	438	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	2:4:3:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-3:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]O[6]CH)(H)2	C[6](O[6]C[6,6a])(C[6]O[6]HH)(COO)(H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]O[6]CH)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]O[6]HH)(COO)(H){2|C<3>}	H(C[6]C[6]O[6]H)	109.7412	0.343	6	109.7412	0.118	6	109.7412	0.118	6	109.7412	0.118	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	2:4:4:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]O[6]CH)(H)2	C[6](O[6]C[5a,6])(C[6]O[6]HH)(CClHH)(H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5a,6])(C[6]O[6]CH)(H)2{2|C<3>}	C[6](O[6]C[5a,6])(C[6]O[6]HH)(CClHH)(H){2|C<3>}	H(C[6]C[6]O[6]H)	108.9340	0.075	2	108.9340	0.006	2	109.4462	0.206	22	109.3700	0.186	28	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	2:4:4:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]O[6]CH)(H)2	C[6](O[6]C[5a,6])(C[6]O[6]HH)(CHHP)(H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5a,6])(C[6]O[6]CH)(H)2{2|C<3>}	C[6](O[6]C[5a,6])(C[6]O[6]HH)(CHHP)(H){2|C<3>}	H(C[6]C[6]O[6]H)	108.9935	0.022	2	108.9935	0.000	2	109.4462	0.206	22	109.3700	0.186	28	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	2:4:4:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]O[6]CH)(H)2	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CCCO)(H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]O[6]CH)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CCCO)(H){2|C<3>}	H(C[6]C[6]O[6]H)	109.6727	0.059	12	109.6727	0.003	12	109.4462	0.206	22	109.3700	0.186	28	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	2:4:4:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]O[6]CH)(H)2	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CHHO)(H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]O[6]CH)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CHHO)(H){2|C<3>}	H(C[6]C[6]O[6]H)	109.7817	0.065	4	109.7817	0.004	4	109.4462	0.206	22	109.3700	0.186	28	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	2:4:4:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]O[6]CH)(H)2	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CN[5a]HH)(H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]O[6]CH)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CN[5a]HH)(H){2|C<3>}	H(C[6]C[6]O[6]H)	108.3810	0.072	2	108.3810	0.005	2	109.4462	0.206	22	109.3700	0.186	28	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	2:4:4:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	S[6]-2:C[6]-4:C-4:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]S[6]CH)(H)2	C[6](S[6]C[6,6a])(C[6]O[6]HH)(CN[5a]HH)(H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]S[6]CH)(H)2{2|C<3>}	C[6](S[6]C[6,6a])(C[6]O[6]HH)(CN[5a]HH)(H){2|C<3>}	H(C[6]C[6]O[6]H)	109.1006	0.161	5	109.1006	0.026	5	109.0908	0.021	6	109.3700	0.186	28	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	2:4:4:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	S[6]-2:C[6]-4:C-4:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]S[6]CH)(H)2	C[6](S[6]C[6,6a])(C[6]O[6]HH)(CN[6a]HH)(H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]S[6]CH)(H)2{2|C<3>}	C[6](S[6]C[6,6a])(C[6]O[6]HH)(CN[6a]HH)(H){2|C<3>}	H(C[6]C[6]O[6]H)	109.0420	0.000	1	109.0420	0.000	1	109.0908	0.021	6	109.3700	0.186	28	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	3:3:4:1:	4:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6]S[6]HH)(H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6,6a])(C[6]C[6]2H)(H)2{1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6]S[6]HH)(H){1|C<4>,5|C<3>}	H(C[6]C[6]S[6]H)	111.3145	1.614	2	111.3145	2.606	2	111.3145	2.606	2	111.3145	2.606	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	3:4:1:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[5,4x6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]O)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](O[6]C[5,4x6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]C[3x6]O)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]O[6]H)	109.9485	0.006	2	109.9485	0.000	2	108.5581	3.637	8	109.3336	1.833	26	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	3:4:1:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]C)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(H)2{3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]O[6]HH)(H)2{2|C<3>}	H(C[6]C[6]O[6]H)	105.4935	0.093	2	105.4935	0.009	2	108.5581	3.637	8	109.3336	1.833	26	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	3:4:1:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(H)2{2|C<3>}	H(C[6]C[6]O[6]H)	109.3953	0.009	4	109.3953	0.000	4	108.5581	3.637	8	109.3336	1.833	26	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	3:4:1:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(H)2{2|C<3>}	H(C[6]C[6]O[6]H)	109.7075	0.021	2	109.4403	0.027	12	109.8134	0.927	14	109.3336	1.833	26	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	3:4:1:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]N[6]HH)(H)2{3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(H)2{2|C<3>}	H(C[6]C[6]O[6]H)	109.3869	0.120	10	109.4403	0.027	12	109.8134	0.927	14	109.3336	1.833	26	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	3:4:1:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]N[6]HH)(H)2{3|C<3>}	C[6](N[6]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{4|C<3>}	H(C[6]C[6]O[6]H)	112.0520	0.245	2	112.0520	0.060	2	109.8134	0.927	14	109.3336	1.833	26	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	3:4:1:1:	4:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](S[6]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]O)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](S[6]C[5a,6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]N[5a,6]O)(C[6]S[6]HH)(H)2{2|C<3>}	H(C[6]C[6]S[6]H)	109.4285	0.021	2	109.4285	0.000	2	109.4285	0.000	2	109.3336	1.833	26	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	3:4:1:1:	4:	S[6]-2:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6a]S)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](S[6]C[6,6a])(C[6]N[6]HH)(H)2{1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]S)(C[6]S[6]HH)(H)2{2|C<3>}	H(C[6]C[6]S[6]H)	108.9815	0.043	2	108.9815	0.002	2	108.9815	0.002	2	109.3336	1.833	26	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	3:4:2:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:N-2:H-1:	C[6]-4:	C[6](O[6]B[6,6a])(C[6]C[6]HN)(H)2	C[6](C[6]N[6,6a]O)(C[6]O[6]HH)(NC)(H)	H(C[6]C[6]O[6]H)	C[6](O[6]B[6,6a])(C[6]C[6]HN)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]N[6,6a]O)(C[6]O[6]HH)(NC)(H){1|B<3>,1|N<2>}	H(C[6]C[6]O[6]H)	109.1950	0.000	1	109.1950	0.000	1	109.1950	0.000	1	109.9607	3.319	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	3:4:2:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(OH)(H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]HO)(H)2{3|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(OH)(H){4|C<3>}	H(C[6]C[6]O[6]H)	108.8630	0.034	2	108.8630	0.001	2	108.8630	0.001	2	109.9607	3.319	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	3:4:2:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:S-2:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HS)(H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(SC[6a])(H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]HS)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(SC[6a])(H){2|C<3>}	H(C[6]C[6]O[6]H)	110.7010	2.216	4	110.7010	4.909	4	110.7010	4.909	4	109.9607	3.319	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	3:4:3:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](O[6]B[6,6a])(C[6]C[6]HN)(H)2	C[6](C[6]N[6,6a]O)(C[6]O[6]HH)(NCH)(H)	H(C[6]C[6]O[6]H)	C[6](O[6]B[6,6a])(C[6]C[6]HN)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]N[6,6a]O)(C[6]O[6]HH)(NCH)(H){1|B<3>,1|N<2>}	H(C[6]C[6]O[6]H)	109.6685	0.035	2	109.6685	0.001	2	109.4998	0.038	4	109.4502	0.029	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	3:4:3:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(NHS)(H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(NHS)(H){2|C<3>}	H(C[6]C[6]O[6]H)	109.3310	0.007	2	109.3310	0.000	2	109.4998	0.038	4	109.4502	0.029	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	3:4:3:1:	4:	S[6]-2:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]N[6]CH)(H)2	C[6](N[6]C[6,6a]H)(C[6]S[6]HH)(COO)(H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6,6a])(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]S[6]HH)(COO)(H){2|C<3>}	H(C[6]C[6]S[6]H)	109.3510	0.031	2	109.3510	0.001	2	109.3510	0.001	2	109.4502	0.029	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	3:4:3:3:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-3:C-3:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CCC)(CCO)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CC)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CCC)(CCO){2|C<3>}	H(C[6]C[6]O[6]H)	109.2850	0.000	1	109.2850	0.000	1	109.2850	0.000	1	109.2850	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	3:4:4:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(CH3)(H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{3|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(CH3)(H){4|C<3>}	H(C[6]C[6]O[6]H)	108.7028	0.096	6	108.7028	0.009	6	108.6859	0.506	15	108.9271	0.898	30	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	3:4:4:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[5a]HH)(H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[5a]HH)(H){2|C<3>}	H(C[6]C[6]O[6]H)	109.0953	0.028	3	109.0953	0.001	3	108.6859	0.506	15	108.9271	0.898	30	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	3:4:4:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]HH)(H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]HH)(H){2|C<3>}	H(C[6]C[6]O[6]H)	108.0235	1.141	4	108.0235	1.303	4	108.6859	0.506	15	108.9271	0.898	30	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	3:4:4:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CHHP)(H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CHHP)(H){2|C<3>}	H(C[6]C[6]O[6]H)	109.3460	0.023	2	109.3460	0.001	2	108.6859	0.506	15	108.9271	0.898	30	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	3:4:4:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]CH)(H)2	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(CC[6a]HH)(H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]N[6]CH)(H)2{3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(CC[6a]HH)(H){2|C<3>}	H(C[6]C[6]O[6]H)	109.4495	0.047	2	109.4495	0.002	2	109.2440	0.058	4	108.9271	0.898	30	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	3:4:4:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]CH)(H)2	C[6](N[6]C[6,6a]S)(C[6]O[6]HH)(CCCO)(H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]N[6]CH)(H)2{1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]S)(C[6]O[6]HH)(CCCO)(H){2|C<3>}	H(C[6]C[6]O[6]H)	109.0385	0.066	2	109.0385	0.004	2	109.2440	0.058	4	108.9271	0.898	30	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	3:4:4:1:	4:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]C)(C[6]S[6]HH)(CCHN)(H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6,6a])(C[6]C[6]CH)(H)2{3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]S[6]HH)(CCHN)(H){2|C<3>}	H(C[6]C[6]S[6]H)	108.8632	0.130	4	108.8632	0.017	4	109.1407	1.701	11	108.9271	0.898	30	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	3:4:4:1:	4:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]C)(C[6]S[6]HH)(CC[6a]CH)(H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6,6a])(C[6]C[6]CH)(H)2{3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]S[6]HH)(CC[6a]CH)(H){2|C<3>}	H(C[6]C[6]S[6]H)	108.6360	0.061	3	108.6360	0.004	3	109.1407	1.701	11	108.9271	0.898	30	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	3:4:4:1:	4:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]C[6])(C[6]S[6]HH)(CH3)(H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6,6a])(C[6]C[6]CH)(H)2{3|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]S[6]HH)(CH3)(H){4|C<3>}	H(C[6]C[6]S[6]H)	109.7968	2.172	4	109.7968	4.720	4	109.1407	1.701	11	108.9271	0.898	30	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	3:4:4:2:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-2:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]HH)(CN)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CC)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]HH)(CN){2|C<3>}	H(C[6]C[6]O[6]H)	109.5397	0.094	3	109.5397	0.009	3	109.5397	0.009	3	109.4566	0.010	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	3:4:4:2:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]HH)(OH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CO)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]HH)(OH){2|C<3>}	H(C[6]C[6]O[6]H)	109.3595	0.012	2	109.3595	0.000	2	109.3942	0.003	4	109.4566	0.010	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	3:4:4:2:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CH3)(OC)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CO)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CH3)(OC){2|C<3>}	H(C[6]C[6]O[6]H)	109.4290	0.057	2	109.4290	0.003	2	109.3942	0.003	4	109.4566	0.010	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	3:4:4:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:S-4:C-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CS)(H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(SC[6a]OO)(CCHH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CS)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(SC[6a]OO)(CCHH){2|C<3>}	H(C[6]C[6]O[6]H)	112.1310	5.879	2	112.1310	34.561	2	112.1310	34.561	2	112.1310	34.561	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	4:2:1:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](O[6]C[5,6,6])(C[6]O[6]HH)(H)2	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	C[6](O[6]C[5,6,6])(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>}	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	109.5540	0.610	2	109.5540	0.372	2	109.5540	0.372	2	109.5540	0.372	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	4:4:1:1:	4:	N[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a,6])(C[6]C[6]HH)(H)2{1|N<3>,1|S<2>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2{2|C<3>}	H(C[6]C[6]N[6]H)	108.9605	0.043	4	108.9605	0.002	4	108.9605	0.002	4	109.5365	1.260	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	4:4:1:1:	4:	O[6]-2:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(F)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]FH)(H)2	H(C[6]C[6]O[6]F)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(F)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]FH)(H)2{4|C<3>}	H(C[6]C[6]O[6]F)	108.7450	0.000	1	108.7450	0.000	1	108.7450	0.000	1	109.5365	1.260	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	4:4:1:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]B[5,6,6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](O[6]B[5,6,6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]O[6]HH)(H)2{1|B<4>,1|C<3>}	H(C[6]C[6]O[6]H)	109.2315	0.036	2	109.2315	0.001	2	109.6637	1.447	41	109.5365	1.260	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	4:4:1:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[3,6,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](O[6]C[3,6,6])(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[3,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	109.5515	0.012	2	109.5515	0.000	2	109.6637	1.447	41	109.5365	1.260	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	4:4:1:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[3x5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](O[6]C[3x5,6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	109.0938	0.096	4	109.0938	0.009	4	109.6637	1.447	41	109.5365	1.260	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	4:4:1:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[5,5,6,6])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](O[6]C[5,5,6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|S<4>}	H(C[6]C[6]O[6]H)	112.9785	0.238	2	112.3245	2.825	4	109.6637	1.447	41	109.5365	1.260	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	4:4:1:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[5,5,6,6])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](O[6]C[5,5,6,6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|S<4>}	H(C[6]C[6]O[6]H)	111.6705	2.590	2	112.3245	2.825	4	109.6637	1.447	41	109.5365	1.260	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	4:4:1:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[5,5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](O[6]C[5,5,6])(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	109.5255	0.014	4	109.5255	0.000	4	109.6637	1.447	41	109.5365	1.260	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	4:4:1:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[5,5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](O[6]C[5,5,6])(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.2345	0.016	2	109.2345	0.000	2	109.6637	1.447	41	109.5365	1.260	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	4:4:1:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[5,6,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](O[6]C[5,6,6])(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.2363	0.085	9	109.2363	0.007	9	109.6637	1.447	41	109.5365	1.260	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	4:4:1:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](O[6]C[5a,6])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]HH)(H)2{4|C<3>}	H(C[6]C[6]O[6]H)	111.0335	0.641	2	111.0335	0.411	2	109.6637	1.447	41	109.5365	1.260	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	4:4:1:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]CO)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CO)(C[6]O[6]HH)(H)2{2|C<3>}	H(C[6]C[6]O[6]H)	111.2380	0.918	2	111.2380	0.842	2	109.6637	1.447	41	109.5365	1.260	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	4:4:1:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(H)2{2|C<3>}	H(C[6]C[6]O[6]H)	108.7816	0.312	8	108.7816	0.097	8	109.6637	1.447	41	109.5365	1.260	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	4:4:1:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(H)2{2|C<3>}	H(C[6]C[6]O[6]H)	109.2400	0.038	2	109.2400	0.001	2	109.6637	1.447	41	109.5365	1.260	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	4:4:1:1:	4:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](S[6]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](S[6]C[5a,6])(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]S[6]HH)(H)2{2|C<3>}	H(C[6]C[6]S[6]H)	108.8380	0.031	2	109.0065	0.038	4	109.0065	0.038	4	109.5365	1.260	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	4:4:1:1:	4:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](S[6]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](S[6]C[5a,6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]S[6]HH)(H)2{1|C<3>,1|S<2>}	H(C[6]C[6]S[6]H)	109.1750	0.006	2	109.0065	0.038	4	109.0065	0.038	4	109.5365	1.260	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	4:4:2:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(OH)(H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]HO)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(OH)(H){4|C<3>}	H(C[6]C[6]O[6]H)	109.2140	0.011	2	109.2140	0.000	2	109.2140	0.000	2	108.8688	0.041	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	4:4:2:1:	4:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](S[6]C[5a,6])(C[6]C[6]HO)(H)2	C[6](C[6]N[5a,6]CH)(C[6]S[6]HH)(OH)(H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[5a,6])(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[5a,6]CH)(C[6]S[6]HH)(OH)(H){2|C<3>}	H(C[6]C[6]S[6]H)	108.6495	0.005	2	108.6495	0.000	2	108.7825	0.010	8	108.8688	0.041	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	4:4:2:1:	4:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](S[6]C[5a,6])(C[6]C[6]HO)(H)2	C[6](C[6]N[5a,6]C[6a]H)(C[6]S[6]HH)(OH)(H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[5a,6])(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]S[6]HH)(OH)(H){4|C<3>}	H(C[6]C[6]S[6]H)	108.8457	0.077	4	108.8457	0.006	4	108.7825	0.010	8	108.8688	0.041	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	4:4:2:1:	4:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](S[6]C[5a,6])(C[6]C[6]HO)(H)2	C[6](C[6]N[5a,6]HH)(C[6]S[6]HH)(OH)(H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[5a,6])(C[6]C[6]HO)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]S[6]HH)(OH)(H){2|C<3>}	H(C[6]C[6]S[6]H)	108.7890	0.017	2	108.7890	0.000	2	108.7825	0.010	8	108.8688	0.041	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	4:4:3:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CC[6a]C)(H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{1|C<2>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CC[6a]C)(H){2|C<3>}	H(C[6]C[6]O[6]H)	109.1020	0.110	6	109.1020	0.012	6	109.4339	0.411	14	109.2814	0.240	28	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	4:4:3:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CCH)(H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CCH)(H){2|C<3>}	H(C[6]C[6]O[6]H)	109.7735	1.158	4	109.7735	1.340	4	109.4339	0.411	14	109.2814	0.240	28	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	4:4:3:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CCO)(H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CCO)(H){2|C<3>}	H(C[6]C[6]O[6]H)	109.5025	0.049	2	109.5025	0.002	2	109.4339	0.411	14	109.2814	0.240	28	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	4:4:3:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HO)(C[6]O[6]HH)(CCC)(H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]O[6]HH)(CCC)(H){2|C<3>}	H(C[6]C[6]O[6]H)	109.6815	0.006	2	109.6815	0.000	2	109.4339	0.411	14	109.2814	0.240	28	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	4:4:3:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]C[6]HN)(H)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]HH)(NOO)(H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5a,6])(C[6]C[6]HN)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]HH)(NOO)(H){4|C<3>}	H(C[6]C[6]O[6]H)	109.0980	0.011	2	109.0980	0.000	2	109.1968	0.009	12	109.2814	0.240	28	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	4:4:3:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]HH)(NOO)(H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]HH)(NOO)(H){4|C<3>}	H(C[6]C[6]O[6]H)	109.3015	0.026	2	109.3015	0.001	2	109.1968	0.009	12	109.2814	0.240	28	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	4:4:3:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(NOO)(H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(NOO)(H){4|C<3>}	H(C[6]C[6]O[6]H)	109.0940	0.016	2	109.1612	0.006	6	109.1968	0.009	12	109.2814	0.240	28	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	4:4:3:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(NOO)(H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(NOO)(H){4|C<3>}	H(C[6]C[6]O[6]H)	109.1947	0.079	4	109.1612	0.006	6	109.1968	0.009	12	109.2814	0.240	28	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	4:4:3:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(NC[6a]H)(H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(NC[6a]H)(H){2|C<3>}	H(C[6]C[6]O[6]H)	109.2980	0.035	2	109.2980	0.001	2	109.1968	0.009	12	109.2814	0.240	28	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	4:4:3:1:	4:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](S[6]C[5a,6])(C[6]C[6]HN)(H)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]HH)(NOO)(H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[5a,6])(C[6]C[6]HN)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]HH)(NOO)(H){4|C<3>}	H(C[6]C[6]S[6]H)	108.7215	0.032	2	108.7215	0.001	2	108.7215	0.001	2	109.2814	0.240	28	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	4:4:4:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CCHH)(H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CCHH)(H){2|C<3>}	H(C[6]C[6]O[6]H)	109.0360	0.000	1	109.0360	0.000	1	108.9494	0.230	9	109.2137	0.327	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	4:4:4:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]CO)(C[6]O[6]HH)(CHHN)(H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CO)(C[6]O[6]HH)(CHHN)(H){2|C<3>}	H(C[6]C[6]O[6]H)	108.9878	0.051	4	108.9878	0.003	4	108.9494	0.230	9	109.2137	0.327	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	4:4:4:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CHHO)(H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CHHO)(H){2|C<3>}	H(C[6]C[6]O[6]H)	108.4240	0.970	2	108.4240	0.941	2	108.9494	0.230	9	109.2137	0.327	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	4:4:4:1:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HO)(C[6]O[6]HH)(CC[6a]HH)(H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]O[6]HH)(CC[6a]HH)(H){2|C<3>}	H(C[6]C[6]O[6]H)	109.3550	0.008	2	109.3550	0.000	2	108.9494	0.230	9	109.2137	0.327	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	4:4:4:1:	4:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6a]HH)(C[6]S[6]HH)(NH3)(H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6,6a])(C[6]C[6]HN)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]S[6]HH)(NH3)(H){2|C<3>}	H(C[6]C[6]S[6]H)	109.8083	0.106	4	109.8083	0.011	4	109.8083	0.011	4	109.2137	0.327	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	4:4:4:2:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CN)(H)2	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CH3)(NN)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CN)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CH3)(NN){2|C<3>}	H(C[6]C[6]O[6]H)	108.8265	0.005	2	108.8265	0.000	2	108.8265	0.000	2	108.6292	0.052	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	4:4:4:2:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CCHH)(OH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CCHH)(OH){2|C<3>}	H(C[6]C[6]O[6]H)	108.4320	0.023	2	108.4320	0.001	2	108.4320	0.001	2	108.6292	0.052	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	4:4:4:3:	4:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](S[6]C[5a,6])(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]HH)(CCHH)(COO)	H(C[6]C[6]S[6]H)	C[6](S[6]C[5a,6])(C[6]C[6]CC)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]HH)(CCHH)(COO){1|S<2>,3|C<3>}	H(C[6]C[6]S[6]H)	108.5500	0.016	2	108.5500	0.000	2	108.5500	0.000	2	108.5500	0.000	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:1:1:	4:4:4:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CN[5]HH)(CH3)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CN[5]HH)(CH3){2|C<3>}	H(C[6]C[6]O[6]H)	109.2215	0.029	2	109.2215	0.001	2	109.2215	0.001	2	109.2215	0.001	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:2:1:	3:4:1:1:	4:	O[6]-2:C[6]-4:C-2:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CN)(H)	C[6](N[6]C[6,6a]C)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CN)(H){3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]O[6]CH)(H)2{2|C<3>}	H(C[6]C[6]O[6]C)	108.5770	0.000	1	108.5770	0.000	1	108.5770	0.000	1	109.2985	1.041	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:2:1:	3:4:1:1:	4:	O[6]-2:C[6]-4:O-2:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]HH)(OC)(H)	C[6](N[6]C[6,6a]H)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](O[6]C[6,6a])(C[6]N[6]HH)(OC)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]O[6]HO)(H)2{2|C<3>}	H(C[6]C[6]O[6]O)	110.0200	0.000	1	110.0200	0.000	1	110.0200	0.000	1	109.2985	1.041	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:2:1:	3:4:4:2:	4:	O[6]-2:C[6]-4:C-2:H-1:	C[6]-3:C[6]-4:C-4:C-2:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CC)(CC)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CC[6a]HH)(CN)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]CC)(CC)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CC[6a]HH)(CN){2|C<3>}	H(C[6]C[6]O[6]C)	109.0375	0.388	2	109.0375	0.151	2	109.0375	0.151	2	109.3890	0.144	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:2:1:	3:4:4:2:	4:	O[6]-2:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:C-4:C-2:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CC)(OC)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CCHH)(CN)	H(C[6]C[6]O[6]O)	C[6](O[6]C[6,6a])(C[6]C[6]CC)(OC)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CCHH)(CN){2|C<3>}	H(C[6]C[6]O[6]O)	109.6330	0.000	1	109.6330	0.000	1	109.6233	0.007	3	109.3890	0.144	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:2:1:	3:4:4:2:	4:	O[6]-2:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:C-4:C-2:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CC)(OC)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CC[6a]HH)(CN)	H(C[6]C[6]O[6]O)	C[6](O[6]C[6,6a])(C[6]C[6]CC)(OC)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CC[6a]HH)(CN){2|C<3>}	H(C[6]C[6]O[6]O)	109.6185	0.115	2	109.6185	0.013	2	109.6233	0.007	3	109.3890	0.144	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:2:1:	4:4:1:1:	4:	O[6]-2:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5a,6]CH)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](O[6]C[5a,6])(C[6]C[6]HH)(OC)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]CH)(C[6]O[6]HO)(H)2{2|C<3>}	H(C[6]C[6]O[6]O)	109.0690	0.000	1	109.0690	0.000	1	110.5615	4.664	8	110.0225	4.211	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:2:1:	4:4:1:1:	4:	O[6]-2:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]N[5a,6]C[6a]2)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](O[6]C[5a,6])(C[6]C[6]HH)(OC)(H){1|N<3>,3|C<3>}	C[6](C[6]N[5a,6]C[6a]2)(C[6]O[6]HO)(H)2{1|N<2>,5|C<3>}	H(C[6]C[6]O[6]O)	110.2670	0.000	1	110.2670	0.000	1	110.5615	4.664	8	110.0225	4.211	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:2:1:	4:4:1:1:	4:	O[6]-2:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]HO)(H)2{2|C<3>}	H(C[6]C[6]O[6]O)	109.0880	0.071	2	109.0880	0.005	2	110.5615	4.664	8	110.0225	4.211	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:2:1:	4:4:1:1:	4:	O[6]-2:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OC)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]HO)(H)2{1|O<2>,3|C<3>}	H(C[6]C[6]O[6]O)	112.9750	0.000	1	112.9750	0.000	1	110.5615	4.664	8	110.0225	4.211	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:2:1:	4:4:1:1:	4:	O[6]-2:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OC)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HO)(H)2{4|C<3>}	H(C[6]C[6]O[6]O)	113.0270	1.090	2	113.0270	1.189	2	110.5615	4.664	8	110.0225	4.211	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:2:1:	4:4:1:1:	4:	O[6]-2:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OH)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HO)(H)2{4|C<3>}	H(C[6]C[6]O[6]O)	107.9510	0.000	1	107.9510	0.000	1	110.5615	4.664	8	110.0225	4.211	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:2:1:	4:4:1:1:	4:	O[6]-2:C[6]-4:S-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(SC[6a])(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HS)(H)2	H(C[6]C[6]O[6]S)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(SC[6a])(H){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HS)(H)2{4|C<3>}	H(C[6]C[6]O[6]S)	109.2880	0.000	1	109.2880	0.000	1	109.2880	0.000	1	110.0225	4.211	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:2:1:	4:4:1:1:	4:	S[6]-2:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](S[6]C[5a,6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]HO)(H)2	H(C[6]C[6]S[6]O)	C[6](S[6]C[5a,6])(C[6]C[6]HH)(OH)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]HO)(H)2{1|S<2>,3|C<3>}	H(C[6]C[6]S[6]O)	108.2335	0.441	2	108.2335	0.194	2	108.2335	0.194	2	110.0225	4.211	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:2:1:	4:4:4:1:	4:	O[6]-2:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]HO)(CCHH)(H)	H(C[6]C[6]O[6]O)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(OC)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]HO)(CCHH)(H){2|C<3>}	H(C[6]C[6]O[6]O)	107.9825	0.026	2	107.9825	0.001	2	107.9825	0.001	2	107.9825	0.001	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:3:1:	2:4:1:1:	4:	O[6]-2:C[6]-4:C-3:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]O[6]HH)(COO)(H)	C[6](O[6]C[6,6a])(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]O[6]HH)(COO)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]O[6]CH)(H)2{2|C<3>}	H(C[6]C[6]O[6]C)	107.8900	0.215	3	107.8900	0.046	3	107.8900	0.046	3	107.8900	0.046	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:3:1:	3:4:1:1:	4:	O[6]-2:C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(COO)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(H)2{2|C<3>}	H(C[6]C[6]O[6]C)	107.6370	0.000	1	107.6370	0.000	1	107.6370	0.000	1	107.5160	0.269	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:3:1:	3:4:1:1:	4:	O[6]-2:C[6]-4:C-3:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CCH)(H)	C[6](N[6]C[6,6a]S)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CCH)(H){1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]S)(C[6]O[6]CH)(H)2{2|C<3>}	H(C[6]C[6]O[6]C)	107.9630	0.000	1	107.9630	0.000	1	107.9630	0.000	1	107.5160	0.269	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:3:1:	3:4:1:1:	4:	O[6]-2:C[6]-4:N-3:H-1:	C[6]-3:C[6]-4:F-1:F-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]FF)(NCC)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]HN)(F)2	H(C[6]C[6]O[6]N)	C[6](O[6]C[6,6a])(C[6]C[6]FF)(NCC)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]HN)(F)2{2|C<3>}	H(C[6]C[6]O[6]N)	106.9480	0.000	1	106.9480	0.000	1	106.9480	0.000	1	107.5160	0.269	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:3:1:	3:4:4:1:	4:	O[6]-2:C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCH)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CCHH)(H)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCH)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CCHH)(H){2|C<3>}	H(C[6]C[6]O[6]C)	108.7940	0.000	1	108.7940	0.000	1	108.7940	0.000	1	108.7940	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:3:1:	3:4:4:2:	4:	O[6]-2:C[6]-4:N-3:H-1:	C[6]-3:C[6]-4:C-4:C-2:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CC)(NC[6a]C)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]HN)(CCHH)(CN)	H(C[6]C[6]O[6]N)	C[6](O[6]C[6,6a])(C[6]C[6]CC)(NC[6a]C)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]HN)(CCHH)(CN){2|C<3>}	H(C[6]C[6]O[6]N)	105.9760	0.000	1	105.9760	0.000	1	105.9760	0.000	1	105.9760	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:3:1:	3:4:4:4:	4:	S[6]-2:C[6]-4:C-3:H-1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](S[6]C[5a,6])(C[6]N[6]CC)(CC[6a]O)(H)	C[6](N[6]N[5a,6]H)(C[6]S[6]CH)(CH3)2	H(C[6]C[6]S[6]C)	C[6](S[6]C[5a,6])(C[6]N[6]CC)(CC[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]N[5a,6]H)(C[6]S[6]CH)(CH3)2{1|C<3>,1|N<2>}	H(C[6]C[6]S[6]C)	106.6470	0.000	1	106.6470	0.000	1	106.6470	0.000	1	106.6470	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:3:1:	4:2:1:1:	4:	O[6]-2:C[6]-4:C[5]-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]O[6]HH)(C[5]N[5]2)(H)	C[6](C[6]C[5]O[6]H)(O[6]C[6,6a])(H)2	H(C[6]C[5]C[6]O[6])	C[6](O[6]C[6,6a])(C[6]O[6]HH)(C[5]N[5]2)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5]O[6]H)(O[6]C[6,6a])(H)2{2|C<3>,2|N<3>}	H(C[6]C[5]C[6]O[6])	107.9440	0.000	1	107.9440	0.000	1	107.9440	0.000	1	107.9440	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:3:1:	4:4:1:1:	4:	O[6]-2:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCO)(H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCO)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(H)2{2|C<3>}	H(C[6]C[6]O[6]C)	104.2190	0.000	1	104.2190	0.000	1	106.9705	15.142	2	109.2383	7.021	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:3:1:	4:4:1:1:	4:	O[6]-2:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6,6a]ClH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(COO)(H){1|Cl<1>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]ClH)(C[6]O[6]CH)(H)2{2|C<3>}	H(C[6]C[6]O[6]C)	109.7220	0.000	1	109.7220	0.000	1	106.9705	15.142	2	109.2383	7.021	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:3:1:	4:4:1:1:	4:	O[6]-2:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]HN)(H)2	H(C[6]C[6]O[6]N)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(NCH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]HN)(H)2{2|C<3>}	H(C[6]C[6]O[6]N)	109.1700	0.000	1	109.1700	0.000	1	109.3650	0.076	2	109.2383	7.021	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:3:1:	4:4:1:1:	4:	O[6]-2:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]HN)(H)2	H(C[6]C[6]O[6]N)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(NHS)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]HN)(H)2{2|C<3>}	H(C[6]C[6]O[6]N)	109.5600	0.000	1	109.5600	0.000	1	109.3650	0.076	2	109.2383	7.021	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:3:1:	4:4:1:1:	4:	O[6]-2:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(N[5]C[5]2)(H)	C[6](C[6]C[6,6a]HH)(C[6]N[5]O[6]H)(H)2	H(C[6]C[6]N[5]O[6])	C[6](O[6]C[6,6a])(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[5]O[6]H)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]N[5]O[6])	111.3795	0.633	2	111.3795	0.401	2	111.3795	0.401	2	109.2383	7.021	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:4:1:	2:4:1:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]O[6]HH)(CClHH)(H)	C[6](O[6]C[5a,6])(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(CClHH)(H){2|C<3>}	C[6](O[6]C[5a,6])(C[6]O[6]CH)(H)2{2|C<3>}	H(C[6]C[6]O[6]C)	109.0760	0.000	1	109.0760	0.000	1	108.4435	0.693	11	108.2319	0.633	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:4:1:	2:4:1:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]O[6]HH)(CHHP)(H)	C[6](O[6]C[5a,6])(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(CHHP)(H){2|C<3>}	C[6](O[6]C[5a,6])(C[6]O[6]CH)(H)2{2|C<3>}	H(C[6]C[6]O[6]C)	108.7980	0.000	1	108.7980	0.000	1	108.4435	0.693	11	108.2319	0.633	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:4:1:	2:4:1:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CCCO)(H)	C[6](O[6]C[6,6a])(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CCCO)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]O[6]CH)(H)2{2|C<3>}	H(C[6]C[6]O[6]C)	108.6395	0.368	6	108.6395	0.135	6	108.4435	0.693	11	108.2319	0.633	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:4:1:	2:4:1:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CHHO)(H)	C[6](O[6]C[6,6a])(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CHHO)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]O[6]CH)(H)2{2|C<3>}	H(C[6]C[6]O[6]C)	108.5310	0.105	2	108.5310	0.011	2	108.4435	0.693	11	108.2319	0.633	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:4:1:	2:4:1:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CN[5a]HH)(H)	C[6](O[6]C[6,6a])(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CN[5a]HH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]O[6]CH)(H)2{2|C<3>}	H(C[6]C[6]O[6]C)	106.1050	0.000	1	106.1050	0.000	1	108.4435	0.693	11	108.2319	0.633	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:4:1:	2:4:1:1:	4:	S[6]-2:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]O[6]HH)(CN[5a]HH)(H)	C[6](O[6]C[6,6a])(C[6]S[6]CH)(H)2	H(C[6]C[6]S[6]C)	C[6](S[6]C[6,6a])(C[6]O[6]HH)(CN[5a]HH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]S[6]CH)(H)2{2|C<3>}	H(C[6]C[6]S[6]C)	107.5677	0.061	3	107.5677	0.004	3	107.6500	0.030	4	108.2319	0.633	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:4:1:	2:4:1:1:	4:	S[6]-2:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]O[6]HH)(CN[6a]HH)(H)	C[6](O[6]C[6,6a])(C[6]S[6]CH)(H)2	H(C[6]C[6]S[6]C)	C[6](S[6]C[6,6a])(C[6]O[6]HH)(CN[6a]HH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]S[6]CH)(H)2{2|C<3>}	H(C[6]C[6]S[6]C)	107.8970	0.000	1	107.8970	0.000	1	107.6500	0.030	4	108.2319	0.633	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:4:1:	2:4:4:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]O[6]CH)(CH3)(H)	C[6](O[6]C[5a,6])(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]O[6]C)	C[6](O[6]C[5a,6])(C[6]O[6]CH)(CH3)(H){2|C<3>}	C[6](O[6]C[5a,6])(C[6]O[6]CH)(CH3)(H){2|C<3>}	H(C[6]C[6]O[6]C)	108.1560	0.690	2	108.1560	0.476	2	108.1560	0.476	2	108.1560	0.476	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:4:1:	3:4:1:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5a,6]N)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CH3)(H){1|N<2>,2|C<3>}	C[6](C[6]C[5a,6]N)(C[6]O[6]CH)(H)2{1|C<3>,1|N<3>}	H(C[6]C[6]O[6]C)	107.2770	0.000	1	107.2770	0.000	1	107.7625	0.471	2	108.6526	0.873	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:4:1:	3:4:1:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5a,6]O)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<3>}	C[6](C[6]C[5a,6]O)(C[6]O[6]CH)(H)2{1|C<3>,1|O<2>}	H(C[6]C[6]O[6]C)	108.2480	0.000	1	108.2480	0.000	1	107.7625	0.471	2	108.6526	0.873	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:4:1:	3:4:1:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CN[5a]HH)(H)	C[6](N[6]C[6,6a]S)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CN[5a]HH)(H){1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]S)(C[6]O[6]CH)(H)2{2|C<3>}	H(C[6]C[6]O[6]C)	109.2710	0.000	1	109.2710	0.000	1	109.2710	0.000	1	108.6526	0.873	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:4:1:	3:4:1:1:	4:	S[6]-2:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]C[6])(C[6]S[6]CH)(H)2	H(C[6]C[6]S[6]C)	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CH3)(H){3|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]S[6]CH)(H)2{4|C<3>}	H(C[6]C[6]S[6]C)	109.6690	0.000	1	109.6690	0.000	1	109.2335	0.379	2	108.6526	0.873	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:4:1:	3:4:1:1:	4:	S[6]-2:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]O)(C[6]S[6]CH)(H)2	H(C[6]C[6]S[6]C)	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]S[6]CH)(H)2{2|C<3>}	H(C[6]C[6]S[6]C)	108.7980	0.000	1	108.7980	0.000	1	109.2335	0.379	2	108.6526	0.873	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:4:1:	3:4:4:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CC3)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CCHO)(H)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CC3)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CCHO)(H){2|C<3>}	H(C[6]C[6]O[6]C)	105.4900	0.000	1	105.4900	0.000	1	108.2525	3.583	4	107.9547	1.696	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:4:1:	3:4:4:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CH3)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CH3)(H){2|C<3>}	H(C[6]C[6]O[6]C)	109.1733	0.535	3	109.1733	0.286	3	108.2525	3.583	4	107.9547	1.696	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:4:1:	3:4:4:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:S-4:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CF3)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(SC[6a]OO)(H)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CF3)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(SC[6a]OO)(H){2|C<3>}	H(C[6]C[6]O[6]C)	107.2067	0.338	3	107.2067	0.114	3	107.2067	0.114	3	107.9547	1.696	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:4:1:	3:4:4:1:	4:	S[6]-2:C[6]-4:C-4:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]N[6]CH)(CCHH)(H)	C[6](N[6]C[6,6a]S)(C[6]S[6]CH)(CCHH)(H)	H(C[6]C[6]S[6]C)	C[6](S[6]C[6,6a])(C[6]N[6]CH)(CCHH)(H){1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]S)(C[6]S[6]CH)(CCHH)(H){2|C<3>}	H(C[6]C[6]S[6]C)	108.4810	0.052	2	108.4810	0.003	2	108.4810	0.003	2	107.9547	1.696	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:4:1:	4:3:1:1:	4:	O[6]-2:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6,6a]O)(H)2	H(C[6]C[6]2O[6])	C[6](O[6]C[6,6a])(C[6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>,3|C<3>}	C[6](C[6]C[6]O[6]H)(C[6]C[6,6a]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2O[6])	108.8125	0.156	2	108.8125	0.024	2	108.8125	0.024	2	108.8125	0.024	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:4:1:	4:4:1:1:	4:	N[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]HN)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a])(C[6]C[6]HH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]N[6]CH)(H)2{2|C<3>}	H(C[6]C[6]N[6]C)	109.4700	0.000	1	109.4700	0.000	1	109.4700	0.000	1	108.0592	2.071	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:4:1:	4:4:1:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(H)2{2|C<3>}	H(C[6]C[6]O[6]C)	107.2512	2.609	5	107.2512	6.807	5	107.9912	2.812	14	108.0592	2.071	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:4:1:	4:4:1:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHO)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHO)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(H)2{2|C<3>}	H(C[6]C[6]O[6]C)	108.6080	0.000	1	108.6080	0.000	1	107.9912	2.812	14	108.0592	2.071	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:4:1:	4:4:1:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHO)(H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHO)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(H)2{2|C<3>}	H(C[6]C[6]O[6]C)	108.3018	0.569	5	108.3018	0.324	5	107.9912	2.812	14	108.0592	2.071	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:4:1:	4:4:1:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHO)(H)	C[6](C[6]N[6,6a]HO)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHO)(H){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6](C[6]N[6,6a]HO)(C[6]O[6]CH)(H)2{2|C<3>}	H(C[6]C[6]O[6]C)	106.9660	0.000	1	106.9660	0.000	1	107.9912	2.812	14	108.0592	2.071	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:4:1:	4:4:1:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CC[6a]HH)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(H)2{4|C<3>}	H(C[6]C[6]O[6]C)	109.0340	0.000	1	109.0340	0.000	1	107.9912	2.812	14	108.0592	2.071	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:4:1:	4:4:1:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]C[6]C)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,3|C<3>}	C[6](C[6]C[6,6a]C[6]C)(C[6]O[6]CH)(H)2{4|C<3>}	H(C[6]C[6]O[6]C)	109.5040	0.000	1	109.5040	0.000	1	107.9912	2.812	14	108.0592	2.071	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:4:1:	4:4:1:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:P[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]In[3x6])(C[6]P[6]HH)(CC3)(H)	C[6](C[6]O[6]CH)(P[6]O[6]CC)(H)2	H(C[6]C[6]O[6]C)	C[6](O[6]In[3x6])(C[6]P[6]HH)(CC3)(H){2|C<4>,5|O<2>}	C[6](C[6]O[6]CH)(P[6]O[6]CC)(H)2{1|In<6>}	H(C[6]C[6]O[6]C)	107.8920	0.552	3	107.8920	0.304	3	107.9672	0.177	5	108.0592	2.071	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:4:1:	4:4:1:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:P[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]In[6,6])(C[6]P[6]HH)(CC3)(H)	C[6](C[6]O[6]CH)(P[6]O[6]CC)(H)2	H(C[6]C[6]O[6]C)	C[6](O[6]In[6,6])(C[6]P[6]HH)(CC3)(H){2|C<4>,4|O<2>}	C[6](C[6]O[6]CH)(P[6]O[6]CC)(H)2{1|In<5>}	H(C[6]C[6]O[6]C)	108.0800	0.236	2	108.0800	0.056	2	107.9672	0.177	5	108.0592	2.071	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:4:1:	4:4:2:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CHHO)(H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(OS)(H)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CHHO)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(OS)(H){2|C<3>}	H(C[6]C[6]O[6]C)	108.4590	0.000	1	108.4590	0.000	1	108.4590	0.000	1	108.2920	0.056	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:4:1:	4:4:2:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CCHH)(H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(SC)(H)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CCHH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(SC)(H){2|C<3>}	H(C[6]C[6]O[6]C)	108.1250	0.000	1	108.1250	0.000	1	108.1250	0.000	1	108.2920	0.056	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:4:1:	4:4:3:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]C[6]CH)(CHHS)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]CH)(COO)(H)	H(C[6]C[6]O[6]C)	C[6](O[6]C[5a,6])(C[6]C[6]CH)(CHHS)(H){1|H<1>,3|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]CH)(COO)(H){1|S<2>,3|C<3>}	H(C[6]C[6]O[6]C)	108.6580	0.000	1	108.6580	0.000	1	108.6580	0.000	1	108.6730	0.625	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:4:1:	4:4:3:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(NOO)(H)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(NOO)(H){2|C<3>}	H(C[6]C[6]O[6]C)	107.3640	0.215	2	107.3640	0.046	2	108.6233	0.978	6	108.6730	0.625	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:4:1:	4:4:3:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CCHH)(H)	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]CH)(NOO)(H)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CCHH)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]CH)(NOO)(H){4|C<3>}	H(C[6]C[6]O[6]C)	109.2400	0.151	2	109.2400	0.023	2	108.6233	0.978	6	108.6730	0.625	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:4:1:	4:4:3:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CF3)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(NOO)(H)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CF3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(NOO)(H){2|C<3>}	H(C[6]C[6]O[6]C)	109.2660	0.246	2	109.2660	0.061	2	108.6233	0.978	6	108.6730	0.625	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:4:1:	4:4:3:1:	4:	O[6]-2:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]O[6]H)(C[6]O[6]O)(H)	H(C[6]C[6]2O[6])	C[6](O[6]C[6,6a])(C[6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]O[6]H)(C[6]O[6]O)(H){2|H<1>,4|C<3>}	H(C[6]C[6]2O[6])	108.8295	0.213	2	108.8295	0.045	2	108.8295	0.045	2	108.6730	0.625	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:4:1:	4:4:4:1:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CH3)(H)	C[6](C[6]C[6,6a]HO)(C[6]O[6]CH)(SC[6a]OO)(H)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]O[6]CH)(SC[6a]OO)(H){2|C<3>}	H(C[6]C[6]O[6]C)	108.0310	1.468	2	108.0310	2.155	2	108.0310	2.155	2	108.0310	2.155	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:4:1:	4:4:4:3:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CCHH)(H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]CH)(CH3)(NOO)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CCHH)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]O[6]CH)(CH3)(NOO){2|C<3>}	H(C[6]C[6]O[6]C)	108.9630	0.000	1	108.9630	0.000	1	109.2362	0.295	5	109.2362	0.295	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:4:1:	4:4:4:3:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CCHH)(H)	C[6](C[6]C[6,6a]HS)(C[6]O[6]CH)(CH3)(NOO)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CCHH)(H){1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[6,6a]HS)(C[6]O[6]CH)(CH3)(NOO){2|C<3>}	H(C[6]C[6]O[6]C)	109.6980	0.376	2	109.6980	0.142	2	109.2362	0.295	5	109.2362	0.295	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:4:1:	4:4:4:3:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CCHH)(H)	C[6](C[6]C[6,6a]N[5a]H)(C[6]O[6]CH)(CH3)(NOO)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CCHH)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]N[5a]H)(C[6]O[6]CH)(CH3)(NOO){1|N<2>,3|C<3>}	H(C[6]C[6]O[6]C)	109.3150	0.000	1	109.3150	0.000	1	109.2362	0.295	5	109.2362	0.295	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:4:1:	4:4:4:3:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CF3)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(CH3)(NOO)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CF3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(CH3)(NOO){2|C<3>}	H(C[6]C[6]O[6]C)	108.5070	0.000	1	108.5070	0.000	1	109.2362	0.295	5	109.2362	0.295	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	2:4:4:1:	4:4:4:4:	4:	O[6]-2:C[3]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[3]C[3]2H)(C[6]C[6]CC)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[3]O[6]H)(CCHH)(CH3)	H(C[6]C[3]C[6]O[6])	C[6](O[6]C[6,6a])(C[3]C[3]2H)(C[6]C[6]CC)(H){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[3]O[6]H)(CCHH)(CH3){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[3]C[6]O[6])	109.4750	0.000	1	109.4750	0.000	1	109.4750	0.000	1	109.4750	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:2:4:1:	4:2:1:1:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]O[6]HH)(H)	C[6](C[6]C[6a]O[6]H)(O[6]C[6,6a])(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]O[6]HH)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(O[6]C[6,6a])(H)2{4|C<3>}	H(C[6]C[6a]C[6]O[6])	109.3760	0.000	1	109.3760	0.000	1	109.3760	0.000	1	109.3760	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:2:4:1:	4:2:3:1:	4:	C[5a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[5a]C[5a]S[5a])(O[6]C[6,6a])(C[6]O[6]CH)(H)	C[6](C[6]C[5a]O[6]H)(O[6]C[6,6a])(CNO)(H)	H(C[6]C[5a]C[6]O[6])	C[6](C[5a]C[5a]S[5a])(O[6]C[6,6a])(C[6]O[6]CH)(H){1|H<1>,4|C<3>}	C[6](C[6]C[5a]O[6]H)(O[6]C[6,6a])(CNO)(H){1|S<2>,3|C<3>}	H(C[6]C[5a]C[6]O[6])	108.0000	0.000	1	108.0000	0.000	1	108.0000	0.000	1	108.0000	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:2:4:1:	4:3:1:1:	4:	C[6a]-3:N[6]-2:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)2{4|C<3>}	H(C[6]C[6a]C[6]N[6])	97.1900	0.000	1	97.1900	0.000	1	97.1900	0.000	1	108.2610	5.973	27	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:2:4:1:	4:3:1:1:	4:	C[6a]-3:N[6]-2:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]N[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]S)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]N[6]HH)(H){1|S<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]S)(H)2{4|C<3>}	H(C[6]C[6a]C[6]N[6])	109.1770	0.000	1	109.1770	0.000	1	109.1770	0.000	1	108.2610	5.973	27	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:2:4:1:	4:3:1:1:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]N)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]N)(H)2{4|C<3>}	H(C[6]C[6a]C[6]O[6])	107.6030	0.540	3	107.6030	0.292	3	108.6414	1.190	24	108.2610	5.973	27	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:2:4:1:	4:3:1:1:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(H)2{4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.2580	0.406	2	108.7897	1.155	21	108.6414	1.190	24	108.2610	5.973	27	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:2:4:1:	4:3:1:1:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(H)2{4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.8457	1.113	19	108.7897	1.155	21	108.6414	1.190	24	108.2610	5.973	27	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:2:4:1:	4:3:1:1:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]HH)(H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a]S)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]HH)(H){1|F<1>,1|H<1>,1|S<4>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a]S)(H)2{4|C<3>}	H(C[6]C[6a]C[6]O[6])	109.2870	0.000	1	109.2870	0.000	1	109.2870	0.000	1	108.2610	5.973	27	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:2:4:1:	4:3:2:1:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(OC)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(OC)(H){4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.3120	0.000	1	108.3120	0.000	1	108.9428	0.176	8	108.9428	0.176	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:2:4:1:	4:3:2:1:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(OH)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(OH)(H){4|C<3>}	H(C[6]C[6a]C[6]O[6])	109.0329	0.360	7	109.0329	0.129	7	108.9428	0.176	8	108.9428	0.176	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:2:4:1:	4:3:3:1:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:F-1:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]CF)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(COO)(F)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]CF)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(COO)(F){4|C<3>}	H(C[6]C[6a]C[6]O[6])	107.8570	0.000	1	107.8570	0.000	1	107.8570	0.000	1	107.8570	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:2:4:1:	4:3:4:1:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(SC[6a]OO)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H){1|Br<1>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(SC[6a]OO)(H){4|C<3>}	H(C[6]C[6a]C[6]O[6])	107.2990	0.000	1	107.4648	0.042	5	107.4558	0.034	6	107.5836	0.143	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:2:4:1:	4:3:4:1:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(SC[6a]OO)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(SC[6a]OO)(H){4|C<3>}	H(C[6]C[6a]C[6]O[6])	107.4330	0.000	1	107.4648	0.042	5	107.4558	0.034	6	107.5836	0.143	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:2:4:1:	4:3:4:1:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(SC[6a]OO)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(SC[6a]OO)(H){4|C<3>}	H(C[6]C[6a]C[6]O[6])	107.3190	0.000	1	107.4648	0.042	5	107.4558	0.034	6	107.5836	0.143	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:2:4:1:	4:3:4:1:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(SC[6a]OO)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(SC[6a]OO)(H){4|C<3>}	H(C[6]C[6a]C[6]O[6])	107.6365	0.247	2	107.4648	0.042	5	107.4558	0.034	6	107.5836	0.143	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:2:4:1:	4:3:4:1:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(O[6]C[6,6a])(C[6]C[6]HS)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(SC[6a]OO)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]N[6a])(O[6]C[6,6a])(C[6]C[6]HS)(H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(SC[6a]OO)(H){1|N<2>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	107.4110	0.000	1	107.4110	0.000	1	107.4558	0.034	6	107.5836	0.143	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:2:4:1:	4:3:4:1:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]CH)(H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a]H)(CH3)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]CH)(H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a]H)(CH3)(H){4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.3500	0.000	1	108.3500	0.000	1	108.3500	0.000	1	107.5836	0.143	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:2:4:1:	4:3:4:3:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]CC)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CCHH)(COO)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]CC)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CCHH)(COO){4|C<3>}	H(C[6]C[6a]C[6]O[6])	107.0155	0.074	2	107.0155	0.006	2	107.0155	0.006	2	107.0155	0.006	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:2:4:1:	4:4:1:1:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)2{6|C<3>}	H(C[6]C[6a]C[6]O[6])	108.2457	0.850	6	108.2457	0.722	6	108.5134	0.431	12	108.5138	0.395	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:2:4:1:	4:4:1:1:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CC)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CC)(H)2{4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.9120	0.259	2	108.9120	0.067	2	108.5134	0.431	12	108.5138	0.395	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:2:4:1:	4:4:1:1:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HN)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HN)(H)2{4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.4400	0.000	1	108.4400	0.000	1	108.5134	0.431	12	108.5138	0.395	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:2:4:1:	4:4:1:1:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HO)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HO)(H)2{4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.7580	0.000	1	108.7580	0.000	1	108.5134	0.431	12	108.5138	0.395	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:2:4:1:	4:4:1:1:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]N[6a])(O[6]C[6,6a])(C[6]C[6]HH)(H){2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)2{1|N<2>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	108.8325	0.203	2	108.8325	0.041	2	108.5134	0.431	12	108.5138	0.395	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:2:4:1:	4:4:1:1:	4:	C[6a]-3:S[6]-2:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]S[6]H)(H)2	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]S[6]H)(H)2{6|C<3>}	H(C[6]C[6a]C[6]S[6])	108.5180	0.000	1	108.5180	0.000	1	108.5180	0.000	1	108.5138	0.395	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:2:4:1:	4:4:2:1:	4:	C[6a]-3:N[6]-2:C[6]-4:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HS)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HS)(H){4|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC)(H){4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7170	0.000	1	107.7170	0.000	1	107.7170	0.000	1	108.0564	0.728	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:2:4:1:	4:4:2:1:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5a,6])(C[6]C[6]HO)(H)	C[6](C[6]C[5a,6]C[6a]O)(C[6]C[6a]O[6]H)(OH)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[5a,6])(C[6]C[6]HO)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]O)(C[6]C[6a]O[6]H)(OH)(H){6|C<3>}	H(C[6]C[6a]C[6]O[6])	109.3350	0.000	1	109.3350	0.000	1	108.1049	0.828	7	108.0564	0.728	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:2:4:1:	4:4:2:1:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(OH)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H){4|C<3>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(OH)(H){4|C<3>}	H(C[6]C[6a]C[6]O[6])	107.5980	0.830	4	107.5980	0.689	4	108.1049	0.828	7	108.0564	0.728	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:2:4:1:	4:4:2:1:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(OS)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H){4|C<3>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(OS)(H){4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.5035	0.199	2	108.5035	0.039	2	108.1049	0.828	7	108.0564	0.728	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:2:4:1:	4:4:3:1:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(NOO)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(NOO)(H){4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.2057	1.345	4	108.2057	1.809	4	107.7678	1.681	6	108.1018	1.109	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:2:4:1:	4:4:3:1:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(NOO)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H){4|C<3>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(NOO)(H){4|C<3>}	H(C[6]C[6a]C[6]O[6])	106.3100	0.000	1	106.3100	0.000	1	107.7678	1.681	6	108.1018	1.109	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:2:4:1:	4:4:3:1:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HN)(NOO)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HN)(NOO)(H){4|C<3>}	H(C[6]C[6a]C[6]O[6])	107.4740	0.000	1	107.4740	0.000	1	107.7678	1.681	6	108.1018	1.109	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:2:4:1:	4:4:3:1:	4:	C[6a]-3:S[6]-2:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]CH)(H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(CN[5]O)(H)	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]CH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(CN[5]O)(H){4|C<3>}	H(C[6]C[6a]C[6]S[6])	108.4785	0.110	2	108.4785	0.012	2	108.4785	0.012	2	108.1018	1.109	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:2:4:1:	4:4:3:1:	4:	C[6a]-3:S[6]-2:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HN)(H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]CH)(NOO)(H)	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HN)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]CH)(NOO)(H){4|C<3>}	H(C[6]C[6a]C[6]S[6])	108.3560	0.000	1	108.3560	0.000	1	108.3520	0.907	5	108.1018	1.109	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:2:4:1:	4:4:3:1:	4:	C[6a]-3:S[6]-2:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HN)(H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(NOO)(H)	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HN)(H){1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(NOO)(H){4|C<3>}	H(C[6]C[6a]C[6]S[6])	107.9660	0.761	2	108.3510	1.209	4	108.3520	0.907	5	108.1018	1.109	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:2:4:1:	4:4:3:1:	4:	C[6a]-3:S[6]-2:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HN)(H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(NOO)(H)	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HN)(H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(NOO)(H){4|C<3>}	H(C[6]C[6a]C[6]S[6])	108.7360	1.567	2	108.3510	1.209	4	108.3520	0.907	5	108.1018	1.109	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:2:4:1:	4:4:4:1:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]CH)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(CCCH)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]CH)(H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(CCCH)(H){4|C<3>}	H(C[6]C[6a]C[6]O[6])	109.5760	0.000	1	109.5760	0.000	1	109.5760	0.000	1	108.8150	1.158	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:2:4:1:	4:4:4:1:	4:	N[5a,6]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(O[6]C[6,6a])(C[6]C[6]2H)(H)	C[6](C[6]N[5a,6]O[6]H)(C[6]C[6]HH)2(H)	H(C[6]N[5a,6]C[6]O[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(O[6]C[6,6a])(C[6]C[6]2H)(H){2|C<4>,4|H<1>,5|C<3>}	C[6](C[6]N[5a,6]O[6]H)(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]N[5a,6]C[6]O[6])	108.0540	0.000	1	108.0540	0.000	1	108.0540	0.000	1	108.8150	1.158	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	2:4:1:1:	4:	C[6]-3:C[6]-3:C[6]-4:H-1:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6]S[6]HH)(H)	C[6](S[6]C[6,6a])(C[6]C[6]2H)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6]S[6]HH)(H){1|C<4>,5|C<3>}	C[6](S[6]C[6,6a])(C[6]C[6]2H)(H)2{1|O<1>,4|C<3>}	H(C[6]C[6]3)	102.3050	0.000	1	102.3050	0.000	1	102.3050	0.000	1	102.3050	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	3:3:4:1:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|C<2>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|C<2>,8|C<3>}	H(C[6]C[6,6a]2C[6])	108.4263	0.141	9	108.0351	0.886	70	107.9730	1.064	72	107.9868	1.063	73	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	3:3:4:1:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|C<2>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	H(C[6]C[6,6a]2C[6])	108.1457	0.147	3	108.0351	0.886	70	107.9730	1.064	72	107.9868	1.063	73	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	3:3:4:1:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|C<2>,8|C<3>}	H(C[6]C[6,6a]2C[6])	108.8493	0.152	3	108.0351	0.886	70	107.9730	1.064	72	107.9868	1.063	73	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	3:3:4:1:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	H(C[6]C[6,6a]2C[6])	107.9707	1.010	44	108.0351	0.886	70	107.9730	1.064	72	107.9868	1.063	73	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	3:3:4:1:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|N<2>,8|C<3>}	H(C[6]C[6,6a]2C[6])	108.8820	0.000	1	108.0351	0.886	70	107.9730	1.064	72	107.9868	1.063	73	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	3:3:4:1:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|Cl<1>,1|C<4>,1|H<1>,8|C<3>}	H(C[6]C[6,6a]2C[6])	106.3170	0.000	1	108.0351	0.886	70	107.9730	1.064	72	107.9868	1.063	73	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	3:3:4:1:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|N<2>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	H(C[6]C[6,6a]2C[6])	107.9250	0.000	1	108.0351	0.886	70	107.9730	1.064	72	107.9868	1.063	73	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	3:3:4:1:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|Cl<1>,1|C<4>,1|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	H(C[6]C[6,6a]2C[6])	105.6760	0.000	1	108.0351	0.886	70	107.9730	1.064	72	107.9868	1.063	73	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	3:3:4:1:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|N<3>,2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|N<3>,2|H<1>,8|C<3>}	H(C[6]C[6,6a]2C[6])	107.7693	0.971	3	108.0351	0.886	70	107.9730	1.064	72	107.9868	1.063	73	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	3:3:4:1:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){2|H<1>,9|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){2|H<1>,9|C<3>}	H(C[6]C[6,6a]2C[6])	107.5745	0.207	2	108.0351	0.886	70	107.9730	1.064	72	107.9868	1.063	73	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	3:3:4:1:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){2|N<3>,9|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){2|N<3>,9|C<3>}	H(C[6]C[6,6a]2C[6])	109.2620	0.000	1	108.0351	0.886	70	107.9730	1.064	72	107.9868	1.063	73	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	3:3:4:1:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){2|O<2>,9|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){2|O<2>,9|C<3>}	H(C[6]C[6,6a]2C[6])	108.4040	0.000	1	108.0351	0.886	70	107.9730	1.064	72	107.9868	1.063	73	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	3:3:4:1:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6](C[6,6a]C[6,6a]N[6a])2(C[6]C[6,6a]2H)(H)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){3|C<4>,4|C<3>,4|N<2>}	C[6](C[6,6a]C[6,6a]N[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,8|C<3>}	H(C[6]C[6,6a]2C[6])	104.2730	0.000	1	104.2730	0.000	1	107.9730	1.064	72	107.9868	1.063	73	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	3:3:4:1:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])2(C[6]C[6,6a]2H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]N[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){3|C<4>,4|C<3>,4|N<2>}	H(C[6]C[6,6a]2C[6])	107.3270	0.000	1	107.3270	0.000	1	107.9730	1.064	72	107.9868	1.063	73	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	3:3:4:1:	4:	N[6]-3:N[6]-3:C[6]-4:H-1:	N[6]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])2(C[6]N[6]2H)(H)	C[6](N[6]C[6a]C[6])2(C[6]N[6]2H)(H)	H(C[6]C[6]N[6]2)	C[6](N[6]C[6a]C[6])2(C[6]N[6]2H)(H){3|C<4>,4|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])2(C[6]N[6]2H)(H){3|C<4>,4|H<1>,6|C<3>}	H(C[6]C[6]N[6]2)	108.9810	0.000	1	108.9810	0.000	1	108.9810	0.000	1	107.9868	1.063	73	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	3:3:4:2:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CC)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H){1|C<4>,2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CC){1|C<4>,2|H<1>,8|C<3>}	H(C[6]C[6,6a]2C[6])	107.8930	0.000	1	107.8310	0.003	3	107.8310	0.003	3	107.8310	0.003	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	3:3:4:2:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CC)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H){2|Cl<1>,1|C<4>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CC){1|C<4>,2|H<1>,8|C<3>}	H(C[6]C[6,6a]2C[6])	107.8000	0.000	2	107.8310	0.003	3	107.8310	0.003	3	107.8310	0.003	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	3:3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CCO)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H){1|C<4>,2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CCO){1|C<4>,2|H<1>,8|C<3>}	H(C[6]C[6,6a]2C[6])	108.1570	0.000	1	108.1570	0.000	1	107.7019	0.746	15	107.7019	0.746	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	3:3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CHO)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H){1|C<4>,2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CHO){1|C<4>,2|H<1>,8|C<3>}	H(C[6]C[6,6a]2C[6])	108.1143	0.221	6	108.1143	0.049	6	107.7019	0.746	15	107.7019	0.746	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	3:3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(COO)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H){1|C<4>,2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(COO){1|C<4>,2|H<1>,8|C<3>}	H(C[6]C[6,6a]2C[6])	107.3356	1.062	8	107.3356	1.129	8	107.7019	0.746	15	107.7019	0.746	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	3:3:4:4:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CH3)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H){1|C<4>,2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CH3){1|C<4>,2|H<1>,8|C<3>}	H(C[6]C[6,6a]2C[6])	103.0140	0.000	1	103.0140	0.000	1	105.8730	6.153	3	105.8730	6.153	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	3:3:4:4:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CN[5]HH)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H){1|C<4>,2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CN[5]HH){1|C<4>,2|H<1>,8|C<3>}	H(C[6]C[6,6a]2C[6])	107.4540	0.000	1	107.4540	0.000	1	105.8730	6.153	3	105.8730	6.153	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	3:3:4:4:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[6,6a]N[6a])2(C[6]C[6,6a]2H)(CH3)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H){1|C<4>,2|O<2>,4|C<3>,4|N<2>}	C[6](C[6,6a]C[6,6a]N[6a])2(C[6]C[6,6a]2H)(CH3){1|C<4>,8|C<3>}	H(C[6]C[6,6a]2C[6])	107.1510	0.000	1	107.1510	0.000	1	105.8730	6.153	3	105.8730	6.153	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	3:4:1:1:	4:	C[5a,6]-3:N[5a]-3:C[6]-4:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[5a]C[5a]N[5a])(C[6]N[5a,6]HH)(H)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[5a,6]N[5a]H)(H)2	H(C[6]C[5a,6]N[5a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[5a]C[5a]N[5a])(C[6]N[5a,6]HH)(H){1|H<1>,1|O<1>,3|N<3>,4|C<3>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[5a,6]N[5a]H)(H)2{1|O<1>,2|N<3>,4|C<3>}	H(C[6]C[5a,6]N[5a]C[6])	108.1960	0.000	1	108.1960	0.000	1	108.1960	0.000	1	107.6480	0.601	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	3:4:1:1:	4:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]2)(C[6]C[5a,6]HH)(H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6,6a]N[5a]H)(H)2	H(C[6]C[6,6a]N[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]2)(C[6]C[5a,6]HH)(H){1|H<1>,1|N<3>,7|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6,6a]N[5a]H)(H)2{1|N<2>,6|C<3>}	H(C[6]C[6,6a]N[5a]C[6])	107.1000	0.000	1	107.1000	0.000	1	107.1000	0.000	1	107.6480	0.601	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	3:4:2:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[6]C[5,6]C[6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]N[6]H)(OH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[5,6]C[6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H){2|H<1>,7|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]N[6]H)(OH)(H){1|O<2>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	106.2390	0.000	1	106.2390	0.000	1	106.2390	0.000	1	106.2390	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	3:4:3:1:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]H)(H)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(H){1|C<4>,3|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]H)(H){1|C<4>,2|H<1>,6|C<3>}	H(C[6]C[6,6a]2C[6])	113.0560	0.000	1	110.1450	16.948	2	110.1450	16.948	2	110.1450	16.948	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	3:4:3:1:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]H)(H)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(H){1|C<4>,3|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]H)(H){1|H<1>,2|C<4>,6|C<3>}	H(C[6]C[6,6a]2C[6])	107.2340	0.000	1	110.1450	16.948	2	110.1450	16.948	2	110.1450	16.948	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	3:4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]O)(CN[5]O)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]O)(CN[5]O){1|C<4>,2|H<1>,6|C<3>}	H(C[6]C[6,6a]2C[6])	107.8900	0.000	1	107.8900	0.000	1	107.8900	0.000	1	107.8900	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:2:1:1:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6](C[6]C[5a,6]C[6a]H)(O[6]C[6])(H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(O[6]C[6])(H)2{1|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.2870	0.000	1	107.2870	0.000	1	107.2870	0.000	1	108.0015	1.951	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:2:1:1:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HH)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(H)2{1|O<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.4540	0.724	3	106.5815	0.414	4	106.5815	0.414	4	108.0015	1.951	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:2:1:1:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HH)(H){2|O<2>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(H)2{1|O<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.9640	0.000	1	106.5815	0.414	4	106.5815	0.414	4	108.0015	1.951	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:2:1:1:	4:	N[4,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[4,6]C[4,6]C[4])(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6](C[6]N[4,6]C[6a]H)(O[6]C[6])(H)2	H(C[6]N[4,6]C[6a]C[6])	C[6](N[4,6]C[4,6]C[4])(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]N[4,6]C[6a]H)(O[6]C[6])(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[6]N[4,6]C[6a]C[6])	109.1750	0.778	4	109.1750	0.605	4	109.1750	0.605	4	108.0015	1.951	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:2:1:1:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6](C[6]N[5,6]C[6a]H)(O[6]C[6])(H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]N[5,6]C[6a]H)(O[6]C[6])(H)2{2|H<1>,4|C<3>}	H(C[6]N[5,6]C[6a]C[6])	108.4505	0.598	2	108.4810	0.181	3	108.9490	0.997	4	108.0015	1.951	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:2:1:1:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6](C[6]N[5,6]C[6a]H)(O[6]C[6])(H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H){3|C<3>,3|C<4>,4|H<1>}	C[6](C[6]N[5,6]C[6a]H)(O[6]C[6])(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[6]N[5,6]C[6a]C[6])	108.5420	0.000	1	108.4810	0.181	3	108.9490	0.997	4	108.0015	1.951	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:2:1:1:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6](C[6]N[5,6]C[6a]H)(O[6]C[6])(H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]N[5,6]C[6a]H)(O[6]C[6])(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]N[5,6]C[6a]C[6])	110.3530	0.000	1	110.3530	0.000	1	108.9490	0.997	4	108.0015	1.951	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:2:1:1:	4:	N[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6](C[6]N[5a,6]C[6a]H)(O[6]C[6])(H)2	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]N[5a,6]C[6a]H)(O[6]C[6])(H)2{1|N<2>,2|H<1>,3|C<3>}	H(C[6]N[5a,6]C[6a]C[6])	108.9480	0.000	1	108.9480	0.000	1	108.9480	0.000	1	108.0015	1.951	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:2:1:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]S[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(S[6]C[6,6a])(H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]S[6]HH)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(S[6]C[6,6a])(H)2{5|C<3>}	H(C[6]C[6a]C[6]N[6])	106.4835	0.182	2	106.4835	0.033	2	106.4835	0.033	2	108.0015	1.951	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:2:2:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H)	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(OH)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(OH)(H){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.2055	1.866	2	106.6590	2.358	3	106.6590	2.358	3	106.9370	1.328	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:2:2:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H)	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(OH)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(OH)(H){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.5660	0.000	1	106.6590	2.358	3	106.6590	2.358	3	106.9370	1.328	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:2:2:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]O[6]HO)(H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(OH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]O[6]HO)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(OH)(H){1|C<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.3540	0.134	2	107.3540	0.018	2	107.3540	0.018	2	106.9370	1.328	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:2:3:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(CCH)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(CCH)(H){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	105.0090	0.000	1	105.0090	0.000	1	105.0090	0.000	1	107.2348	1.897	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:2:3:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(CC[6a]O)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(CC[6a]O)(H){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.5017	0.264	3	107.5017	0.070	3	107.5017	0.070	3	107.2348	1.897	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:2:3:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:S[6]-2:C-3:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]S[6]CH)(H)	C[6](C[6]C[6a]N[6]H)(S[6]C[6,6a])(CC[6a]O)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]S[6]CH)(H){1|Cl<1>,1|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(S[6]C[6,6a])(CC[6a]O)(H){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.6900	0.000	1	107.9475	3.163	2	107.9475	3.163	2	107.2348	1.897	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:2:3:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:S[6]-2:C-3:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]S[6]CH)(H)	C[6](C[6]C[6a]N[6]H)(S[6]C[6,6a])(CC[6a]O)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]S[6]CH)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(S[6]C[6,6a])(CC[6a]O)(H){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	109.2050	0.000	1	107.9475	3.163	2	107.9475	3.163	2	107.2348	1.897	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:2:4:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(CCHH)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(CCHH)(H){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.4643	0.246	3	107.4643	0.060	3	107.6965	0.256	4	107.8634	0.703	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:2:4:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(CSeHH)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(CSeHH)(H){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.3930	0.000	1	108.3930	0.000	1	107.6965	0.256	4	107.8634	0.703	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:2:4:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(CH3)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(CH3)(H){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.8155	0.006	2	108.8155	0.000	2	108.0860	1.597	3	107.8634	0.703	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:2:4:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(CHHO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.6270	0.000	1	106.6270	0.000	1	108.0860	1.597	3	107.8634	0.703	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]C)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]C)(H)2{4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	108.0450	0.000	1	108.1653	0.297	3	108.1653	0.297	3	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]C)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]C)(H)2{1|C<4>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	108.2255	0.756	2	108.1653	0.297	3	108.1653	0.297	3	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]C[5a]H)(C[6]O[6]O)(H)2	H(C[6]C[5a,6]C[5a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5a,6]C[5a]H)(C[6]O[6]O)(H)2{1|O<2>,3|C<3>}	H(C[6]C[5a,6]C[5a]C[6])	108.3610	0.000	1	108.3610	0.000	1	108.3610	0.000	1	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(H)2{1|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.1328	0.306	4	108.1328	0.094	4	108.1832	0.560	13	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]C)(H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]C)(H)2{1|S<2>,3|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.1840	0.000	1	108.1840	0.000	1	108.1832	0.560	13	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]O)(H)2{1|O<2>,5|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.1430	0.000	1	107.1430	0.000	1	108.1832	0.560	13	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]C)(H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]C)(H)2{4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.2600	0.327	3	108.4588	0.128	5	108.1832	0.560	13	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]C)(H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,1|S<2>,2|H<1>,5|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]C)(H)2{4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.7570	0.045	2	108.4588	0.128	5	108.1832	0.560	13	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	109.6050	0.000	1	108.1150	4.440	2	108.1832	0.560	13	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,2|N<2>,3|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(H)2{1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	106.6250	0.000	1	108.1150	4.440	2	108.1832	0.560	13	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]C)(H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]C)(H)2{1|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	106.7940	0.000	1	106.7940	0.000	1	107.9997	0.386	6	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]S)(H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.9350	0.000	1	108.2353	0.062	4	107.9997	0.386	6	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]S)(H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]S)(H)2{1|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.2060	0.000	1	108.2353	0.062	4	107.9997	0.386	6	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]S)(H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]S)(H)2{2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.4000	0.204	2	108.2353	0.062	4	107.9997	0.386	6	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]O)(H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]O)(H)2{1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.2630	0.000	1	108.2630	0.000	1	107.9997	0.386	6	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]O)(H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]O)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.4940	0.000	1	107.8010	0.147	4	107.8090	0.110	5	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]O)(H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]O)(H)2{4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.9033	0.396	3	107.8010	0.147	4	107.8090	0.110	5	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]O)(H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]O)(H)2{4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.8410	0.000	1	107.8410	0.000	1	107.8090	0.110	5	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[5a]H)(C[6]N[6]O)(H)2	H(C[6]C[6,6a]C[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[5a]H)(C[6]N[6]O)(H)2{1|H<1>,1|S<2>,3|C<3>}	H(C[6]C[6,6a]C[5a]C[6])	107.3830	0.000	1	107.3830	0.000	1	107.3830	0.000	1	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:F-1:F-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]FF)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(F)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]FF)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(F)2{1|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.8950	0.000	1	106.8950	0.000	1	106.8950	0.000	1	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.1390	0.000	1	107.1390	0.000	1	107.0678	1.877	25	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(H)2{1|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.5730	0.000	1	106.7657	0.054	3	107.0678	1.877	25	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(H)2{1|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.7010	0.000	1	106.7657	0.054	3	107.0678	1.877	25	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(H)2{1|Cl<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.0230	0.000	1	106.7657	0.054	3	107.0678	1.877	25	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.4230	0.141	2	107.0793	0.364	3	107.0678	1.877	25	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){4|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.3920	0.000	1	107.0793	0.364	3	107.0678	1.877	25	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(H)2{1|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.5890	0.000	1	107.5890	0.000	1	107.0678	1.877	25	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|H<1>,1|N<3>,1|S<2>,2|O<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(H)2{5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.0170	0.000	1	105.5633	6.850	3	107.0678	1.877	25	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	102.5420	0.000	1	105.5633	6.850	3	107.0678	1.877	25	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(H)2{5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.1310	0.000	1	105.5633	6.850	3	107.0678	1.877	25	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.9386	0.656	5	107.9386	0.431	5	107.0678	1.877	25	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.8330	0.000	1	107.0136	2.797	7	107.0678	1.877	25	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.6100	2.246	4	107.0136	2.797	7	107.0678	1.877	25	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.4110	0.083	2	107.0136	2.797	7	107.0678	1.877	25	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.4775	0.721	2	107.4775	0.519	2	107.0678	1.877	25	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]H)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){4|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]H)(H)2{1|O<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.7510	0.000	1	107.7510	0.000	1	106.9837	0.243	6	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]S)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]S)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.0515	0.025	2	106.8405	0.168	4	106.9837	0.243	6	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]S)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|S<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]S)(H)2{1|O<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.6295	0.571	2	106.8405	0.168	4	106.9837	0.243	6	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[5]C[6])(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){2|H<1>,7|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[5]C[6])(H)2{1|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.7890	0.000	1	106.7890	0.000	1	106.9837	0.243	6	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]C)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]C)(H)2{1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.9970	1.028	2	107.9970	1.057	2	108.0030	0.529	3	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)2{4|C<3>}	H(C[6]C[6a]C[6]2)	108.0150	0.000	1	108.0150	0.000	1	108.0030	0.529	3	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7115	0.190	2	107.7115	0.036	2	107.7115	0.036	2	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,3|O<1>,4|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]N[5,6]C[6a]C[6])	108.8990	0.000	1	108.8990	0.000	1	109.1814	1.210	7	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]N[5,6]C[6a]C[6])	107.1570	0.000	1	107.1570	0.000	1	109.1814	1.210	7	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]C)(H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,6|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>}	H(C[6]N[5,6]C[6a]C[6])	109.0800	0.078	2	109.6223	0.885	3	109.1814	1.210	7	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]C)(H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|C<4>,3|H<1>,4|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]N[5,6]C[6a]C[6])	110.7070	0.000	1	109.6223	0.885	3	109.1814	1.210	7	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]N[5,6]C[6a]C[6])	110.0240	0.000	1	109.6735	0.246	2	109.1814	1.210	7	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]N[5,6]C[6a]C[6])	109.3230	0.000	1	109.6735	0.246	2	109.1814	1.210	7	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6](C[6]N[5,6]C[6a]H)(N[6]C[6]C)(H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]HH)(H){2|C<3>,4|C<4>,4|H<1>}	C[6](C[6]N[5,6]C[6a]H)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]N[5,6]C[6a]C[6])	109.0810	0.000	1	109.0810	0.000	1	109.0810	0.000	1	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	N[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]O)(H)2	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]O)(H)2{1|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6a]C[6])	108.3690	0.000	1	108.3690	0.000	1	108.3690	0.000	1	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	N[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6](C[6]N[5a,6]C[6a]H)(N[6]C[6,6]C)(H)2	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]N[5a,6]C[6a]H)(N[6]C[6,6]C)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6a]C[6])	108.3000	0.000	1	108.3000	0.000	1	108.3000	0.000	1	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	N[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]N[6,6]C[6a]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6a]C[6])	109.4450	0.000	1	109.4450	0.000	1	109.4450	0.000	1	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[5a,6]O)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[5a,6]O)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.7700	0.000	1	108.7700	0.000	1	107.8884	0.519	21	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)2{5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.8970	0.000	1	107.8970	0.000	1	107.8884	0.519	21	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.8400	0.000	1	108.5326	0.289	7	107.8884	0.519	21	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.5415	0.937	2	108.5326	0.289	7	107.8884	0.519	21	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.4513	0.495	4	108.5326	0.289	7	107.8884	0.519	21	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,6|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2{1|C<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.4824	0.498	10	107.4824	0.248	10	107.8884	0.519	21	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.5240	0.000	1	107.5240	0.000	1	107.8884	0.519	21	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]S[6]C)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|S<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]S[6]C)(H)2{4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.9130	0.000	1	106.9130	0.000	1	107.8884	0.519	21	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|N<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.0200	0.000	1	108.0200	0.000	1	108.3613	0.727	3	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]S)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|S<4>,4|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]S)(H)2{1|C<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7320	0.000	1	107.7320	0.000	1	108.3613	0.727	3	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:1:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]S)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|S<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]S)(H)2{1|N<2>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	109.3320	0.000	1	109.3320	0.000	1	108.3613	0.727	3	107.8099	1.169	101	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:2:1:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-2:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(CN)(H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(CN)(H){1|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.8170	0.421	2	107.8170	0.178	2	107.8170	0.178	2	107.7782	0.248	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:2:1:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]H)(OC)(H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]H)(OC)(H){1|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.2970	0.000	1	108.2970	0.000	1	108.2970	0.000	1	107.7782	0.248	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:2:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(OH)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(OH)(H){1|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.9080	0.000	1	107.9080	0.000	1	107.9080	0.000	1	107.7782	0.248	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:2:1:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(OH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(OH)(H){1|C<4>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.0520	0.000	1	107.0520	0.000	1	107.0520	0.000	1	107.7782	0.248	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:2:2:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-2:C-2:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CN)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|N<3>,2|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CN)2{1|C<2>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.1950	0.000	1	107.1950	0.000	1	107.1950	0.000	1	107.1950	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:3:1:	4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6](C[6]C[5,6]C[6a]H)(N[6]C[6]H)(COO)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]CH)(H){4|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(N[6]C[6]H)(COO)(H){1|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	108.0790	0.000	1	108.0790	0.000	1	108.0790	0.000	1	107.6926	1.590	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:3:1:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(NCH)(H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(NCH)(H){1|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.8670	0.000	1	108.8670	0.000	1	108.0695	1.272	2	107.6926	1.590	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:3:1:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]O)(NCH)(H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]O)(NCH)(H){4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.2720	0.000	1	107.2720	0.000	1	108.0695	1.272	2	107.6926	1.590	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:3:1:	4:	C[5a]-3:C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[5,6]C)(C[6]C[6]CH)(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[5,6]S)(CC[6a]O)(H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]O[5a])(C[6]C[5,6]C)(C[6]C[6]CH)(H){1|H<1>,1|S<1>,2|C<3>,2|N<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[5,6]S)(CC[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	H(C[6]C[5a]C[6]2)	107.4280	0.000	1	107.4280	0.000	1	107.4280	0.000	1	107.6926	1.590	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:3:1:	4:	C[5a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(N[6]C[6a]C[6])(C[6]C[6]CH)(H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CNO)(H)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]O[5a])(N[6]C[6a]C[6])(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CNO)(H){1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[5a]C[6]N[6])	110.7340	0.000	1	110.7340	0.000	1	110.7340	0.000	1	107.6926	1.590	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:3:1:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(CCO)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(CCO)(H){5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.6920	0.000	1	107.6920	0.000	1	108.4250	0.486	3	107.6926	1.590	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:3:1:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(CNO)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(CNO)(H){5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.7915	0.407	2	108.7915	0.165	2	108.4250	0.486	3	107.6926	1.590	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:3:1:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]C)(NOO)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]C)(NOO)(H){4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.8880	0.000	1	107.8880	0.000	1	107.0580	1.378	2	107.6926	1.590	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:3:1:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]O)(NCH)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|H<1>,2|C<3>,2|C<4>,2|O<1>,2|O<2>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]O)(NCH)(H){4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.2280	0.000	1	106.2280	0.000	1	107.0580	1.378	2	107.6926	1.590	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:3:1:	4:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]O[5a])(C[6]C[6]CH)(H)	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(COO)(H)	H(C[6]C[6,6a]C[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]O[5a])(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(COO)(H){1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[5a]C[6])	108.6720	0.000	1	108.6720	0.000	1	108.6720	0.000	1	107.6926	1.590	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:3:1:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]2H)(C[6]N[6]O)2(H)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H){1|H<1>,1|O<2>,2|C<3>,3|O<1>,4|N<3>}	C[6](C[6]C[6,6a]2H)(C[6]N[6]O)2(H){2|C<4>,5|C<3>}	H(C[6]C[6,6a]2C[6])	108.1370	0.000	1	108.1370	0.000	1	108.1370	0.000	1	107.6926	1.590	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:3:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(CC[6a]O)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(CC[6a]O)(H){1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.2720	0.000	1	107.2720	0.000	1	106.7947	2.485	6	107.6926	1.590	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:3:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(COO)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){3|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(COO)(H){1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.2790	0.000	1	106.2790	0.000	1	106.7947	2.485	6	107.6926	1.590	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:3:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]O)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]O)(H){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.1200	0.000	1	108.1200	0.000	1	106.7947	2.485	6	107.6926	1.590	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:3:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(COO)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(COO)(H){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	105.8425	2.825	2	105.8425	7.980	2	106.7947	2.485	6	107.6926	1.590	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:3:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(CC[6a]O)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(CC[6a]O)(H){1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.4120	0.000	1	107.4120	0.000	1	106.7947	2.485	6	107.6926	1.590	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:3:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(NCH)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|F<1>,1|H<1>,1|N<3>,1|S<2>,2|O<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(NCH)(H){5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	105.7090	0.000	1	105.7090	0.000	1	107.5538	0.841	6	107.6926	1.590	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:3:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(NOO)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(NOO)(H){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.9810	0.134	4	107.9810	0.018	4	107.5538	0.841	6	107.6926	1.590	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:3:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(NCH)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(NCH)(H){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.6900	0.000	1	107.6900	0.000	1	107.5538	0.841	6	107.6926	1.590	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:3:1:	4:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(H)	C[6](C[6]C[6,6a]N[5a]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	H(C[6]C[6,6a]N[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6](C[6]C[6,6a]N[5a]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]N[5a]C[6])	108.0260	0.000	1	108.0260	0.000	1	108.0260	0.000	1	107.6926	1.590	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:3:1:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(COO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(COO)(H){1|C<4>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.3450	0.000	1	107.3450	0.000	1	107.3450	0.000	1	107.6926	1.590	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:3:1:	4:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[5,6]H)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(N[6]C[5,6]H)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.8970	0.000	1	106.8970	0.000	1	106.8970	0.000	1	107.6926	1.590	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:3:1:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]H)(COO)(H)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]H)(COO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]N[5,6]C[6a]C[6])	109.2320	0.000	1	109.2320	0.000	1	109.2320	0.000	1	107.6926	1.590	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:3:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:F-1:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]CF)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(COO)(F)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]CF)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(COO)(F){1|S<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.3760	0.000	1	106.3760	0.000	1	106.3760	0.000	1	107.6926	1.590	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:3:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(CNO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(CNO)(H){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.4160	0.000	1	108.4160	0.000	1	107.3173	1.421	4	107.6926	1.590	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:3:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(CCH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,6|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(CCH)(H){1|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	107.1165	1.578	2	107.1165	2.489	2	107.3173	1.421	4	107.6926	1.590	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:3:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(CNO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(CNO)(H){1|C<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.6200	0.000	1	106.6200	0.000	1	107.3173	1.421	4	107.6926	1.590	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:3:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]H)(CNO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]H)(CNO)(H){2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	109.7310	0.000	1	109.7310	0.000	1	109.7310	0.000	1	107.6926	1.590	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C-3:C-3:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]CC)(H)	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[5,6]H)(COO)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]CC)(H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[5,6]H)(COO)2{1|N<3>,5|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.0860	0.000	1	107.0860	0.000	1	107.0860	0.000	1	107.0860	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:3:4:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]O)(CCHH)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]O)(CCHH){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.0780	0.000	1	107.0780	0.000	1	107.0780	0.000	1	107.0780	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:4:1:	4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(H){4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	107.7675	0.279	2	107.7675	0.078	2	107.7675	0.078	2	107.6830	0.375	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:4:1:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(H){4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.3080	0.000	1	108.3080	0.000	1	108.0757	0.043	3	107.6830	0.375	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:4:1:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]O)(CCHH)(H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]O)(CCHH)(H){1|S<2>,3|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.9595	0.077	2	107.9595	0.006	2	108.0757	0.043	3	107.6830	0.375	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:4:1:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]O)(CCHH)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]O)(CCHH)(H){4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.7790	0.000	1	107.7790	0.000	1	107.7790	0.000	1	107.6830	0.375	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:4:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(CN[5]HH)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(CN[5]HH)(H){1|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.6900	0.000	1	107.6900	0.000	1	107.8355	0.038	4	107.6830	0.375	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:4:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CCHH)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CCHH)(H){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.7500	0.000	1	107.8840	0.042	3	107.8355	0.038	4	107.6830	0.375	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:4:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CCHH)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CCHH)(H){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.9510	0.240	2	107.8840	0.042	3	107.8355	0.038	4	107.6830	0.375	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:4:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:P-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HP)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(PO3)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HP)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(PO3)(H){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.8460	0.000	1	107.8460	0.000	1	107.8460	0.000	1	107.6830	0.375	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:4:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]2)(CH3)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]2)(CH3)(H){2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.1480	0.000	1	107.1480	0.000	1	106.9895	0.115	6	107.6830	0.375	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:4:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CH3)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CH3)(H){1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.9900	0.130	2	107.0260	0.012	3	106.9895	0.115	6	107.6830	0.375	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:4:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CH3)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CH3)(H){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.0980	0.000	1	107.0260	0.012	3	106.9895	0.115	6	107.6830	0.375	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:4:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CHHO)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CHHO)(H){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.3480	0.000	1	107.3480	0.000	1	106.9895	0.115	6	107.6830	0.375	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:4:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6](C[6]C[6,6a]C[6a]H)(N[6]S[6]H)(CCHH)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|S<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]C[6a]H)(N[6]S[6]H)(CCHH)(H){2|O<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.3630	0.000	1	106.3630	0.000	1	106.9895	0.115	6	107.6830	0.375	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:4:1:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(CC[6a]HH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(CC[6a]HH)(H){1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.7060	0.000	1	107.7060	0.000	1	107.7060	0.000	1	107.6830	0.375	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:4:1:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(CCHH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(CCHH)(H){1|O<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	109.1200	0.000	1	109.1200	0.000	1	109.1200	0.000	1	107.6830	0.375	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:4:1:	4:	C[6a]-3:C[5,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(H){1|C<4>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	107.8200	0.000	1	107.8200	0.000	1	107.8200	0.000	1	107.6830	0.375	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:4:1:	4:	N[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H)	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]C)(CHHO)(H)	H(C[6]N[5a,6]C[5a]C[6])	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]C)(CHHO)(H){1|H<1>,1|N<2>,3|C<3>}	H(C[6]N[5a,6]C[5a]C[6])	108.9520	0.000	1	108.9520	0.000	1	108.9520	0.000	1	107.6830	0.375	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:4:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(CH3)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(CH3)(H){5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.5750	0.000	1	107.5750	0.000	1	107.3763	0.147	3	107.6830	0.375	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:4:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]N)(CCHH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]N)(CCHH)(H){1|C<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.9340	0.000	1	106.9340	0.000	1	107.3763	0.147	3	107.6830	0.375	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:4:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(CCHH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(CCHH)(H){5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.6200	0.000	1	107.6200	0.000	1	107.3763	0.147	3	107.6830	0.375	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:4:2:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CO)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(CH3)(OH)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CO)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(CH3)(OH){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.2135	0.301	2	107.2747	0.056	3	107.2747	0.056	3	107.2747	0.056	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:4:2:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CO)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(CH3)(OH)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CO)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(CH3)(OH){2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.3970	0.000	1	107.2747	0.056	3	107.2747	0.056	3	107.2747	0.056	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:4:3:	4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(NCH)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(NCH){1|C<4>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	108.5200	0.000	1	108.5200	0.000	1	108.5200	0.000	1	106.9145	0.961	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(CCHH)(NOO)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H){2|H<1>,2|O<2>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(CCHH)(NOO){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.5630	0.000	1	107.5630	0.000	1	106.5934	0.428	5	106.9145	0.961	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CCHH)(NCH)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CCHH)(NCH){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.1640	0.000	1	106.1640	0.000	1	106.5934	0.428	5	106.9145	0.961	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(NCH)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(NCH){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.9490	0.000	1	106.9490	0.000	1	106.5934	0.428	5	106.9145	0.961	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(NOO)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(NOO){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.1455	0.241	2	106.1455	0.058	2	106.5934	0.428	5	106.9145	0.961	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:4:4:	4:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]CC)(H)	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(CH3)2	H(C[6]C[6,6a]C[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]CC)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(CH3)2{1|S<2>,3|C<3>}	H(C[6]C[6,6a]C[5a]C[6])	107.1570	0.000	1	107.1570	0.000	1	107.1570	0.000	1	106.6355	0.544	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:3:4:4:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CCHH)(CH3)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CCHH)(CH3){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.1140	0.000	1	106.1140	0.000	1	106.1140	0.000	1	106.6355	0.544	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]CO)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]CO)(H)2{1|C<4>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	108.4060	0.000	1	108.4060	0.000	1	108.5063	0.078	3	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|O<2>,3|C<3>,5|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(H)2{1|C<4>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	108.2920	0.000	1	108.2920	0.000	1	108.5063	0.078	3	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	108.8210	0.000	1	108.8210	0.000	1	108.5063	0.078	3	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]C[5a]H)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[5a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[5a,6]C[5a]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[5a]C[6])	107.5160	0.267	2	107.5160	0.071	2	107.3733	0.097	3	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]C[5a]H)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[5a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[6]C[5a,6]C[5a]H)(C[6]C[6]HH)(H)2{1|H<1>,2|N<3>,3|C<3>}	H(C[6]C[5a,6]C[5a]C[6])	107.0880	0.000	1	107.0880	0.000	1	107.3733	0.097	3	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]HH)(H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]HH)(H)2{4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	109.3090	0.000	1	109.3090	0.000	1	108.2675	0.196	11	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]ClH)(H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]ClH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.1160	0.000	1	108.1160	0.000	1	108.2675	0.196	11	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]HO)(H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,1|S<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]HO)(H)2{1|S<2>,3|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.8820	0.311	2	107.8820	0.097	2	108.2675	0.196	11	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[5,6]CH)(H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[5,6]CH)(H)2{6|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.1250	0.000	1	108.1250	0.000	1	108.2675	0.196	11	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[5,6]C[6a]H)(H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[5,6]C[6a]H)(H)2{8|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.0605	0.202	2	108.0605	0.041	2	108.2675	0.196	11	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CC)(H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.4905	0.142	2	108.3117	0.106	3	108.2675	0.196	11	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CC)(H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,7|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CC)(H)2{5|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.9540	0.000	1	108.3117	0.106	3	108.2675	0.196	11	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]CC)(H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|N<2>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]CC)(H)2{1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.5730	0.000	1	108.5730	0.000	1	108.2675	0.196	11	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:N[5]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[5]C[5]S[5])(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]N[5])	C[6](C[5a,6]C[5a,6]N[5a])(N[5]C[5]S[5])(C[6]C[6]HH)(H){1|C<4>,3|H<1>,3|O<1>,4|C<3>}	C[6](C[6]C[5a,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]N[5])	107.1340	0.000	1	107.1340	0.000	1	107.1340	0.000	1	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[5a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[5a]N[6]H)(H)2	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[5a]N[6]H)(H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[5a]C[6]N[6])	109.1220	0.000	1	109.1220	0.000	1	109.1220	0.000	1	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]HO)(H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[5,6]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]HO)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.5600	0.000	1	107.5600	0.000	1	106.8755	0.804	8	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O[6]O)(H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O[6]O)(H)2{1|N<3>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.1465	0.042	2	106.1465	0.002	2	106.8755	0.804	8	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(H)2{2|H<1>,6|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.0230	0.000	1	107.0230	0.000	1	106.8755	0.804	8	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Br<1>,1|H<1>,1|O<1>,2|O<2>,5|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(H)2{4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.5215	0.665	2	107.0320	1.325	4	106.8755	0.804	8	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(H)2{4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.6580	0.000	1	107.0320	1.325	4	106.8755	0.804	8	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(H)2{4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.4270	0.000	1	107.0320	1.325	4	106.8755	0.804	8	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6,6a]C[5a]H)(H)2	H(C[6]C[6,6a]C[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[5,6]HH)(H){2|H<1>,2|N<3>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6,6a]C[5a]H)(H)2{1|H<1>,1|N<3>,1|O<1>,6|C<3>}	H(C[6]C[6,6a]C[5a]C[6])	106.7910	0.000	1	106.7910	0.000	1	106.7910	0.000	1	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]O[6]O)(H)2	H(C[6]C[6,6a]C[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H){1|N<3>,2|H<1>,2|O<2>,5|C<3>}	C[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]O[6]O)(H)2{6|C<3>}	H(C[6]C[6,6a]C[5a]C[6])	107.6410	0.000	1	107.6410	0.000	1	107.6715	0.002	2	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]HO)(H)2	H(C[6]C[6,6a]C[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,3|C<3>,3|O<2>}	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]HO)(H)2{1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[5a]C[6])	107.7020	0.000	1	107.7020	0.000	1	107.6715	0.002	2	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|I<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]2)	106.6500	0.000	1	106.9475	0.177	2	106.9475	0.177	2	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]2)	107.2450	0.000	1	106.9475	0.177	2	106.9475	0.177	2	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,4|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6,6a]HH)(H)2{5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.7090	0.530	2	106.7090	0.281	2	107.1876	0.578	52	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CO)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CO)(H)2{1|O<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.2860	0.000	1	107.2860	0.000	1	107.1876	0.578	52	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.0300	0.182	2	106.9509	1.206	10	107.1876	0.578	52	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<4>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.5200	2.234	2	106.9509	1.206	10	107.1876	0.578	52	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.3535	0.063	2	106.9509	1.206	10	107.1876	0.578	52	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.7380	0.000	1	106.9509	1.206	10	107.1876	0.578	52	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2{1|O<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.2100	0.000	1	106.9509	1.206	10	107.1876	0.578	52	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){5|C<3>,5|H<1>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2{1|O<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	105.8770	1.557	2	106.9509	1.206	10	107.1876	0.578	52	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O[6]O)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,3|O<2>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O[6]O)(H)2{1|N<3>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.8800	0.000	1	108.8800	0.000	1	107.1876	0.578	52	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(H)2{1|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.7610	0.228	3	107.1363	0.205	9	107.1876	0.578	52	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,4|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(H)2{1|C<4>,6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.6190	0.000	1	107.1363	0.205	9	107.1876	0.578	52	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,4|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(H)2{1|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.2650	0.446	5	107.1363	0.205	9	107.1876	0.578	52	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|H<1>,4|O<2>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)2{6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.7260	0.000	1	107.3434	0.308	8	107.1876	0.578	52	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,4|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)2{1|N<2>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.8155	0.074	2	107.3434	0.308	8	107.1876	0.578	52	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,4|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)2{6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.5373	0.631	3	107.3434	0.308	8	107.1876	0.578	52	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,3|O<2>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)2{6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.8890	0.013	2	107.3434	0.308	8	107.1876	0.578	52	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]O)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,3|O<2>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]O)(H)2{6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.0450	0.000	1	107.0450	0.000	1	107.1876	0.578	52	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]S[6]H)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|S<2>,4|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]S[6]H)(H)2{6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.2050	0.000	1	107.2050	0.000	1	107.1876	0.578	52	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]CC)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]CC)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.3890	0.281	2	107.3890	0.079	2	107.1876	0.578	52	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,4|C<3>,5|H<1>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.6420	0.000	1	107.6420	0.000	1	107.1876	0.578	52	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.4720	0.000	1	108.4720	0.000	1	107.1876	0.578	52	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CO)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>,3|O<2>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CO)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.5537	1.256	3	107.2003	0.593	9	107.1876	0.578	52	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CO)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,3|O<2>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CO)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.8748	0.406	4	107.2003	0.593	9	107.1876	0.578	52	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CO)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CO)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.3215	0.514	2	107.2003	0.593	9	107.1876	0.578	52	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]FH)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|F<1>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]FH)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.3390	0.000	1	106.3390	0.000	1	107.1876	0.578	52	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HO)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|O<2>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HO)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.0700	0.000	1	106.6363	0.686	3	107.1876	0.578	52	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HO)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|H<1>,3|O<2>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HO)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.5870	0.000	1	106.6363	0.686	3	107.1876	0.578	52	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HO)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HO)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.2520	0.000	1	106.6363	0.686	3	107.1876	0.578	52	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HS)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,1|S<2>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HS)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.8610	0.000	1	107.8610	0.000	1	107.1876	0.578	52	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CO)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,2|O<2>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CO)(H)2{1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.6340	0.000	1	107.6340	0.000	1	107.1876	0.578	52	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]S[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(S[6]O[6]OO)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]S[6]HH)(H){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(S[6]O[6]OO)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.6560	0.424	4	107.6560	0.180	4	107.6560	0.180	4	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:N[5]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]P[5])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]N[5])	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]P[5])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6]HH)(H)2{1|P<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]N[5])	108.2755	0.168	2	108.2755	0.028	2	108.2755	0.028	2	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]ClH)(H)	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6,6a]N[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]ClH)(H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH)(Cl)(H){1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[5a]C[6])	111.6950	0.000	1	111.6950	0.000	1	111.6950	0.000	1	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]N[5a]H)(C[6]N[5,6]HH)(H)2	H(C[6]C[6,6a]N[5a]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6]C[6]HH)(H){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]N[5a]H)(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	H(C[6]C[6,6a]N[5a]C[6])	107.6860	0.000	1	107.6860	0.000	1	107.9057	0.038	3	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]N[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H){1|C<4>,2|N<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[5a]C[6])	108.0155	0.053	2	108.0155	0.003	2	107.9057	0.038	3	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]P[6,6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]N[6,6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]P[6,6])(C[6]C[6]HH)(H){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|P<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6,6]C[6])	106.3890	0.000	1	106.3890	0.000	1	106.3890	0.000	1	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]HO)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]HO)(H)2{1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.3855	0.368	4	107.3855	0.135	4	107.2408	0.249	6	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	106.4090	0.000	1	106.4090	0.000	1	107.2408	0.249	6	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.4940	0.000	1	107.4940	0.000	1	107.2408	0.249	6	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6])(N[6]C[6,6]Ru)(C[6]C[6]HH)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]N[6])(N[6]C[6,6]Ru)(C[6]C[6]HH)(H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6,6]HH)(H)2{1|Ru<5>,1|N<3>,3|C<3>}	H(C[6]C[6]2N[6])	106.8290	0.000	1	106.8290	0.000	1	105.9085	1.695	2	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6])(N[6]C[6,6a]P)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]N[6]H)(H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]N[6])(N[6]C[6,6a]P)(C[6]C[6]HH)(H){1|Ir<6>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]N[6]H)(H)2{1|N<3>,1|P<4>,3|C<3>}	H(C[6]C[6]2N[6])	104.9880	0.000	1	104.9880	0.000	1	105.9085	1.695	2	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]O)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2{1|O<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.2535	0.144	2	106.2535	0.021	2	106.2535	0.021	2	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[5a,6a]N[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6a]C[6])	C[6](C[6a]C[5a,6a]N[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	H(C[6]N[6,6]C[6a]C[6])	108.1330	0.000	1	108.1330	0.000	1	108.1330	0.000	1	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6]O)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]N[6]H)(H)2{1|H<1>,1|O<2>,2|C<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.9080	0.000	1	108.9080	0.000	1	108.4000	0.516	2	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]S)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]S)(C[6]C[6]HH)(H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(H)2{1|N<2>,1|S<4>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.8920	0.000	1	107.8920	0.000	1	108.4000	0.516	2	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6,6a]HH)(H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Ir<6>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6,6a]HH)(H)2{5|C<3>}	H(C[6]N[5,6]C[6a]C[6])	108.8585	0.291	2	108.8585	0.084	2	107.8582	0.908	13	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[6]N[5,6]C[6a]C[6])	106.9300	0.000	1	106.9300	0.000	1	107.8582	0.908	13	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6a]N[6]H)(H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6a]N[6]H)(H)2{1|N<2>,5|C<3>}	H(C[6]N[5,6]C[6a]C[6])	108.6465	0.145	2	108.6465	0.021	2	107.8582	0.908	13	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]CH)(H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]CH)(H)2{1|H<1>,1|N<2>,3|C<3>}	H(C[6]N[5,6]C[6a]C[6])	109.2200	0.000	1	109.2200	0.000	1	107.8582	0.908	13	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6a]O[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[5,6]CC)(H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6a]O[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6]C[5,6]CC)(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[6]N[5,6]C[6a]C[6])	106.9672	0.435	5	106.9672	0.189	5	107.8582	0.908	13	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]Si[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]Si[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]HH)(H)2{1|Si<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]N[5,6]C[6a]C[6])	108.0800	0.033	2	108.0800	0.001	2	107.8582	0.908	13	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6a]N[6]H)(H)2	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|N<2>,3|C<3>,3|H<1>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6a]N[6]H)(H)2{1|H<1>,1|N<2>,5|C<3>}	H(C[6]N[5a,6]C[6a]C[6])	108.6050	0.000	1	108.6050	0.000	1	108.6050	0.000	1	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[5a]-3:C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a]C[5a]N[5a])(C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[5a]C[6]2)	C[6](N[5a]C[5a]N[5a])(C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	H(C[6]N[5a]C[6]2)	107.5400	0.000	1	107.5400	0.000	1	107.5400	0.000	1	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6,6]ClH)(H)2	H(C[6]N[6,6]C[6a]C[6])	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,4|C<3>,5|H<1>}	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6,6]ClH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]N[6,6]C[6a]C[6])	106.5247	0.143	3	106.5247	0.021	3	106.5247	0.021	3	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[5a]C[5a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[5a]C[5a]2)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5a]C[6]N[6])	108.0640	0.000	1	108.0640	0.000	1	108.0640	0.000	1	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]FF)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CO)(F)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]FF)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CO)(F)2{1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.9690	0.000	1	107.9690	0.000	1	107.9690	0.000	1	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[5a,6]CH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[5a,6]CH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.4650	0.000	1	108.4650	0.000	1	108.1015	1.369	35	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6a]N[6]H)(H)2{1|H<1>,1|N<2>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	109.8780	0.000	1	109.8780	0.000	1	108.1015	1.369	35	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(H)2{1|C<4>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	108.3500	0.000	1	108.3500	0.000	1	108.1015	1.369	35	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CC)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,6|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CC)(H)2{1|C<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.7930	1.220	2	106.7930	1.490	2	108.1015	1.369	35	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(H)2{1|C<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.5020	0.058	2	106.5020	0.003	2	108.1015	1.369	35	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HO)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HO)(H)2{5|C<3>}	H(C[6]C[6a]C[6]N[6])	108.0030	0.000	1	108.0030	0.000	1	108.1015	1.369	35	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]N[6]H)(H)2{1|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	109.2663	0.106	3	109.2663	0.011	3	108.1015	1.369	35	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Br<1>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(H)2{1|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	109.4230	0.113	2	109.1619	0.113	8	108.1015	1.369	35	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(H)2{1|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	109.0748	0.344	6	109.1619	0.113	8	108.1015	1.369	35	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(H)2{1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	108.3917	0.485	3	108.0650	0.584	4	108.1015	1.369	35	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,2|N<3>,4|C<3>}	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(H)2{1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.0850	0.000	1	108.0650	0.584	4	108.1015	1.369	35	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.6370	0.000	1	108.6370	0.000	1	108.1015	1.369	35	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HN)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HN)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.6990	0.000	1	106.6990	0.000	1	108.1015	1.369	35	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HO)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HO)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	109.5850	0.000	1	109.5850	0.000	1	108.1015	1.369	35	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HS)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|S<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HS)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.4900	0.000	1	108.4900	0.000	1	108.1015	1.369	35	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(H)2{1|S<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.2940	0.000	1	107.2940	0.000	1	108.1015	1.369	35	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HN)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HN)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.6120	0.318	4	106.6120	0.101	4	108.1015	1.369	35	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CC)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,7|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CC)(H)2{1|N<2>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.8705	0.241	2	106.8705	0.058	2	108.1015	1.369	35	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){4|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.0200	0.000	1	108.0200	0.000	1	108.1015	1.369	35	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]CH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|N<2>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.8540	0.000	1	107.6056	1.809	5	107.6056	1.809	5	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]CH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|N<2>,3|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7830	1.099	3	107.6056	1.809	5	107.6056	1.809	5	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:1:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]CH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){3|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	105.8250	0.000	1	107.6056	1.809	5	107.6056	1.809	5	107.6000	1.058	168	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:2:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(OH)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|O<2>,4|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(OH)(H){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.6280	0.000	1	106.6280	0.000	1	106.6280	0.000	1	107.6269	0.590	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:2:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]HH)(SC[6a])(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]HH)(SC[6a])(H){5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.2630	0.106	2	108.2630	0.011	2	108.2630	0.011	2	107.6269	0.590	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:2:1:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.2910	0.000	1	107.2910	0.000	1	107.2910	0.000	1	107.6269	0.590	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:2:1:	4:	N[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6](C[6]N[5a,6]C[6a]H)(C[6]S[6]HH)(OH)(H)	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|F<1>,1|N<2>,1|S<2>,3|H<1>,4|C<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]S[6]HH)(OH)(H){4|C<3>}	H(C[6]N[5a,6]C[6a]C[6])	107.0030	0.245	2	107.0030	0.060	2	107.0030	0.060	2	107.6269	0.590	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:2:1:	4:	N[5a,6]-3:N[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(N[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6](C[6]N[5a,6]N[6a]H)(C[6]N[6]HH)(OD)(H)	H(C[6]N[5a,6]N[6a]C[6])	C[6](N[5a,6]C[5a,6]C[5a])(N[6a]C[6a]2)(C[6]C[6]HO)(H){1|N<3>,1|O<1>,2|C<3>,2|N<2>,4|H<1>}	C[6](C[6]N[5a,6]N[6a]H)(C[6]N[6]HH)(OD)(H){1|D<1>,4|C<3>}	H(C[6]N[5a,6]N[6a]C[6])	108.7830	0.000	1	108.7830	0.000	1	108.7830	0.000	1	107.6269	0.590	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:2:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HS)(H){4|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC)(H){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7810	0.000	1	107.7810	0.000	1	107.7810	0.000	1	107.6269	0.590	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:2:2:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6a]C[6]H)(CN)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]CC)(H){2|N<3>,3|C<3>,3|H<1>}	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6a]C[6]H)(CN)2{1|C<2>,1|C<4>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.1040	0.000	1	107.1040	0.000	1	107.1040	0.000	1	106.7770	2.090	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:2:2:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6a]C[6]H)(CN)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6a]C[6]H)(CN)2{1|C<2>,1|C<4>,5|C<3>}	H(C[6]N[5,6]C[6a]C[6])	108.0310	0.000	1	108.0310	0.000	1	108.0310	0.000	1	106.7770	2.090	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:2:2:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(CN)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]CC)(H){3|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(CN)2{1|S<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	105.1960	0.000	1	105.1960	0.000	1	105.1960	0.000	1	106.7770	2.090	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]CO)(CCO)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]CO)(CCO)(H){2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	108.2200	0.000	1	108.2200	0.000	1	108.0925	0.033	2	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(CCO)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,2|N<3>,4|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(CCO)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[5,6]C[6a]C[6])	107.9650	0.000	1	107.9650	0.000	1	108.0925	0.033	2	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:S[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H)	C[6](C[6]C[5,6]C[6a]H)(S[6]C[6]OO)(COO)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H){2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6](C[6]C[5,6]C[6a]H)(S[6]C[6]OO)(COO)(H){1|H<1>,1|S<2>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	107.9050	0.440	2	107.9050	0.193	2	107.9050	0.193	2	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CO)(CCO)(H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CO)(CCO)(H){2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.9740	0.597	2	107.9817	0.178	3	107.8976	0.130	11	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CO)(CCO)(H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CO)(CCO)(H){2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.9970	0.000	1	107.9817	0.178	3	107.8976	0.130	11	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CO)(COO)(H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CO)(COO)(H){2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.1123	0.273	3	108.1123	0.075	3	107.8976	0.130	11	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(CHO)(H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(CHO)(H){2|H<1>,6|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.8930	0.000	1	107.8930	0.000	1	107.8976	0.130	11	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]N[6]H)(COO)(H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<2>,2|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]N[6]H)(COO)(H){1|H<1>,6|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.7180	0.000	1	107.7180	0.000	1	107.8976	0.130	11	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]CH)(COO)(H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]CH)(COO)(H){1|S<2>,3|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.1500	0.000	1	108.1500	0.000	1	107.8976	0.130	11	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(CHO)(H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(CHO)(H){2|H<1>,6|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.6050	0.000	1	107.6050	0.000	1	107.8976	0.130	11	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(CCO)(H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(CCO)(H){2|H<1>,6|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.2260	0.000	1	107.2260	0.000	1	107.8976	0.130	11	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]HH)(NOO)(H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]HH)(NOO)(H){4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	109.0320	0.000	1	109.0320	0.000	1	108.5417	0.252	3	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(NOO)(H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(NOO)(H){2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.5640	0.000	1	108.5640	0.000	1	108.5417	0.252	3	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]HH)(NOO)(H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|S<2>,4|C<3>,4|H<1>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]HH)(NOO)(H){4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.0290	0.000	1	108.0290	0.000	1	108.5417	0.252	3	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[5a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]H)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6a]B[5]H)(C[6]C[5a]N[6]H)(COO)(H)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]H)(C[6]C[6]CH)(H){1|B<3>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]B[5]H)(C[6]C[5a]N[6]H)(COO)(H){1|H<1>,2|O<2>,4|C<3>}	H(C[6]C[5a]C[6]N[6])	107.5640	0.000	1	107.5640	0.000	1	107.5640	0.000	1	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CN)(COO)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CN)(COO)(H){4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.6020	0.000	1	107.6020	0.000	1	107.9145	0.195	2	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(COO)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(COO)(H){4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.2270	0.000	1	108.2270	0.000	1	107.9145	0.195	2	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]HH)(NOO)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]HH)(NOO)(H){4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.1320	0.230	3	108.1320	0.053	3	108.1320	0.053	3	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(H)	C[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H)	H(C[6]C[6,6a]C[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>,7|C<3>}	C[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,7|C<3>}	H(C[6]C[6,6a]C[5a]C[6])	106.4030	0.000	1	106.4030	0.000	1	106.4030	0.000	1	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HN)(H)	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]CH)(NOO)(H)	H(C[6]C[6,6a]C[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HN)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]CH)(NOO)(H){4|C<3>}	H(C[6]C[6,6a]C[5a]C[6])	106.7930	0.815	2	106.7930	0.664	2	107.1460	0.706	3	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]HH)(NOO)(H)	H(C[6]C[6,6a]C[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]2)(C[6]C[6]HN)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]HH)(NOO)(H){4|C<3>}	H(C[6]C[6,6a]C[5a]C[6])	107.8520	0.000	1	107.8520	0.000	1	107.1460	0.706	3	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H){1|O<1>,1|S<2>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6])	108.2510	0.000	1	108.2510	0.000	1	108.2510	0.000	1	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CO)(CCO)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CO)(CCO)(H){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.5067	0.411	4	107.5067	0.169	4	106.7648	2.879	5	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HP)(COO)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|P<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HP)(COO)(H){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	103.7970	0.000	1	103.7970	0.000	1	106.7648	2.879	5	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(NOO)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(NOO)(H){1|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.3180	0.000	1	107.3180	0.000	1	107.8615	0.141	4	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(NOO)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(NOO)(H){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.1710	0.000	1	108.0427	0.014	3	107.8615	0.141	4	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(NOO)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|Cl<1>,1|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(NOO)(H){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.9785	0.059	2	108.0427	0.014	3	107.8615	0.141	4	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[6,6a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]N[6]H)(C[6]S[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6a]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6]C[6]2H)(H){1|O<1>,1|S<2>,2|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6,6a]N[6]H)(C[6]S[6]HH)(C[6]C[6]O)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]N[6])	107.5480	0.000	1	107.5480	0.000	1	107.5480	0.000	1	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]N[5,6]C[6a]O)(C[6]C[6a]C[6]H)(CNS)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]N[5,6]C[6a]O)(C[6]C[6a]C[6]H)(CNS)(H){1|C<4>,6|C<3>}	H(C[6]C[6a]C[6]2)	108.2275	0.203	2	108.2275	0.041	2	108.1617	0.034	3	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(COO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(COO)(H){1|H<1>,1|O<2>,6|C<3>}	H(C[6]C[6a]C[6]2)	108.0300	0.000	1	108.0300	0.000	1	108.1617	0.034	3	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[6]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6])(N[6]C[6,6]Co)(C[6]C[6]HN)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6,6]CC)(NCoC)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]N[6])(N[6]C[6,6]Co)(C[6]C[6]HN)(H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6]N[6]H)(C[6]C[6,6]CC)(NCoC)(H){1|Co<4>,1|C<3>,1|C<4>,1|H<1>,2|N<3>}	H(C[6]C[6]2N[6])	105.1620	0.000	1	105.1620	0.000	1	107.6583	3.020	4	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[6]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6])(N[6]C[6,6]Cr)(C[6]C[6]HN)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6,6]CC)(NCrC)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]N[6])(N[6]C[6,6]Cr)(C[6]C[6]HN)(H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6]N[6]H)(C[6]C[6,6]CC)(NCrC)(H){1|Cr<4>,1|C<3>,1|C<4>,1|H<1>,2|N<3>}	H(C[6]C[6]2N[6])	108.8425	0.087	2	108.8425	0.008	2	107.6583	3.020	4	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[6]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6])(N[6]C[6,6]Ni)(C[6]C[6]HN)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6,6]CC)(NNiC)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]N[6])(N[6]C[6,6]Ni)(C[6]C[6]HN)(H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6]N[6]H)(C[6]C[6,6]CC)(NNiC)(H){1|Ni<4>,1|C<3>,1|C<4>,1|H<1>,2|N<3>}	H(C[6]C[6]2N[6])	107.7860	0.000	1	107.7860	0.000	1	107.6583	3.020	4	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6,6]HH)(NOO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(C[6]C[6]HN)(H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6,6]HH)(NOO)(H){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.2820	0.000	1	108.2820	0.000	1	108.2820	0.000	1	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	N[5,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H)	C[6](C[6]N[5,6]C[5a]H)(C[6]C[6]HH)(NOO)(H)	H(C[6]N[5,6]C[5a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[6]N[5,6]C[5a]H)(C[6]C[6]HH)(NOO)(H){1|C<4>,1|O<2>,3|C<3>}	H(C[6]N[5,6]C[5a]C[6])	108.3510	0.000	1	108.3510	0.000	1	108.3510	0.000	1	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]HH)(COO)(H)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]HH)(COO)(H){1|C<4>,1|N<3>,3|C<3>}	H(C[6]N[5,6]C[6a]C[6])	107.3550	0.000	1	107.3550	0.000	1	107.3550	0.000	1	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:S[6]-4:C-3:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H)	C[6](C[6]N[5,6]C[6a]H)(S[6]C[6]OO)(CC[6a]O)(H)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H){2|C<3>,2|O<1>,3|C<4>,5|H<1>}	C[6](C[6]N[5,6]C[6a]H)(S[6]C[6]OO)(CC[6a]O)(H){3|C<3>,3|C<4>}	H(C[6]N[5,6]C[6a]C[6])	109.2360	0.000	1	109.2360	0.000	1	109.2177	0.001	3	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:S[6]-4:C-3:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H)	C[6](C[6]N[5,6]C[6a]H)(S[6]C[6]OO)(COO)(H)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H){2|C<3>,2|O<1>,3|C<4>,5|H<1>}	C[6](C[6]N[5,6]C[6a]H)(S[6]C[6]OO)(COO)(H){3|C<3>,3|C<4>}	H(C[6]N[5,6]C[6a]C[6])	109.2085	0.025	2	109.2085	0.001	2	109.2177	0.001	3	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	N[6,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H)	C[6](C[6]N[6,6]C[5a]H)(C[6]C[6]HH)(NOO)(H)	H(C[6]N[6,6]C[5a]C[6])	C[6](N[6,6]C[6,6]C[6])(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[6]N[6,6]C[5a]H)(C[6]C[6]HH)(NOO)(H){1|C<4>,1|O<2>,3|C<3>}	H(C[6]N[6,6]C[5a]C[6])	108.9150	0.000	1	108.9150	0.000	1	108.9150	0.000	1	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	N[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]CO)(NOO)(H)	H(C[6]N[6,6]C[6a]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]CO)(NOO)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6a]C[6])	109.6150	0.153	2	109.6150	0.023	2	109.6150	0.023	2	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:F-1:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]CF)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HO)(COO)(F)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]CF)(H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HO)(COO)(F){1|S<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	105.2850	0.000	1	105.2850	0.000	1	105.2850	0.000	1	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]N[6]H)(COO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]N[6]H)(COO)(H){1|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	107.2940	0.000	1	107.2940	0.000	1	107.2114	4.550	9	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[5a,6]CO)(COO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[5a,6]CO)(COO)(H){1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.2690	0.000	1	105.0650	20.531	2	107.2114	4.550	9	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[5a,6]CO)(COO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[5a,6]CO)(COO)(H){1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	101.8610	0.000	1	105.0650	20.531	2	107.2114	4.550	9	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(CCO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){4|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(CCO)(H){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.3940	0.000	1	107.3940	0.000	1	107.2114	4.550	9	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HN)(COO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HN)(COO)(H){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	109.3280	0.000	1	109.3280	0.000	1	107.2114	4.550	9	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CC)(COO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CC)(COO)(H){2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.4910	0.000	1	107.4910	0.000	1	107.2114	4.550	9	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(COO)(H){2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.9120	1.011	2	107.7553	0.585	3	107.2114	4.550	9	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|Cl<1>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(COO)(H){2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.4420	0.000	1	107.7553	0.585	3	107.2114	4.550	9	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(NOO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(NOO)(H){1|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	106.8040	0.000	1	106.8040	0.000	1	107.6640	0.830	3	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(NOO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){4|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(NOO)(H){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.6190	0.000	1	108.6190	0.000	1	107.6640	0.830	3	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.5690	0.000	1	107.5690	0.000	1	107.6640	0.830	3	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]HH)(COO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]HH)(COO)(H){2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.8840	0.000	1	107.8840	0.000	1	107.8840	0.000	1	107.7849	1.451	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:2:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:C-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]OO)(NHH)(CN)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H){3|H<1>,3|O<2>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]OO)(NHH)(CN){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.2160	0.000	1	106.2160	0.000	1	106.2160	0.000	1	106.2160	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(COO)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(COO)2{1|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.4130	0.000	1	107.4130	0.000	1	107.4130	0.000	1	106.5502	0.838	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:3:	4:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C)(C[6]C[6]CC)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(COO)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C)(C[6]C[6]CC)(H){3|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(COO)2{1|C<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.6690	0.000	1	106.6690	0.000	1	105.9065	1.163	2	106.5502	0.838	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:3:	4:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6,6]C)(C[6]C[6]CC)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6]HH)(COO)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6]C)(C[6]C[6]CC)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6]HH)(COO)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6a]C[6]N[6])	105.1440	0.000	1	105.1440	0.000	1	105.9065	1.163	2	106.5502	0.838	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(COO)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CC)(H){4|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(COO)2{1|C<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.4127	0.307	3	107.4127	0.094	3	107.0353	0.633	4	106.5502	0.838	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(COO)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(COO)2{1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	105.9030	0.000	1	105.9030	0.000	1	107.0353	0.633	4	106.5502	0.838	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(COO)(NOO)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CN)(H){4|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(COO)(NOO){1|C<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.4560	0.000	1	107.4560	0.000	1	106.1713	0.745	4	106.5502	0.838	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(COO)(NOO)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(COO)(NOO){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	105.7430	0.132	3	105.7430	0.017	3	106.1713	0.745	4	106.5502	0.838	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:4:1:	4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(CH3)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,2|O<2>,3|C<3>,5|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(CH3)(H){1|C<4>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	107.9245	0.800	2	107.9245	0.640	2	107.9245	0.640	2	107.1315	1.083	41	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:4:1:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CHHO)(H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CHHO)(H){1|N<2>,1|O<1>,3|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.6460	0.000	1	107.6460	0.000	1	107.6460	0.000	1	107.1315	1.083	41	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]C[6,6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6a]C[6,6]C[6])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2H)(H){1|N<3>,1|O<1>,3|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[6,6a]C[6,6]H)(C[6]C[6]HH)2(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]C[6])	107.7150	0.000	1	107.7150	0.000	1	107.7150	0.000	1	107.1315	1.083	41	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H){1|Cl<1>,3|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6,6a]2H)(C[6]C[6]HH)2(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]2C[6])	105.7715	2.722	2	105.7715	7.407	2	105.7715	7.407	2	107.1315	1.083	41	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HS)(H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)(H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HS)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)(H){2|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6]2)	107.5530	0.000	1	107.5530	0.000	1	107.5530	0.000	1	107.1315	1.083	41	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(CH3)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,4|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(CH3)(H){1|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	105.9750	0.000	1	105.9750	0.000	1	106.6868	0.439	4	107.1315	1.083	41	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CC)(CCHH)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CC)(CCHH)(H){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.9240	0.566	3	106.9240	0.321	3	106.6868	0.439	4	107.1315	1.083	41	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.3033	0.126	3	107.4657	0.077	8	107.0798	0.427	17	107.1315	1.083	41	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.4580	0.000	2	107.4657	0.077	8	107.0798	0.427	17	107.1315	1.083	41	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){5|C<3>,5|H<1>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H){5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.6333	0.416	3	107.4657	0.077	8	107.0798	0.427	17	107.1315	1.083	41	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SCOO)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SCOO)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.2580	0.000	1	107.2580	0.000	1	107.0798	0.427	17	107.1315	1.083	41	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.3223	0.356	6	106.6716	0.534	8	107.0798	0.427	17	107.1315	1.083	41	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){4|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H){5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.7195	0.424	2	106.6716	0.534	8	107.0798	0.427	17	107.1315	1.083	41	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:4:1:	4:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[5,6]C)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]HH)(CCCH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(N[6]C[5,6]C)(C[6]C[6]CH)(H){1|N<3>,1|S<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]HH)(CCCH)(H){5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7650	0.000	1	107.7650	0.000	1	107.7650	0.000	1	107.1315	1.083	41	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:4:1:	4:	N[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H)	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]CH)(CHHN)(H)	H(C[6]N[5a,6]C[5a]C[6])	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]CH)(CHHN)(H){1|N<2>,2|H<1>,3|C<3>}	H(C[6]N[5a,6]C[5a]C[6])	107.7120	0.000	1	107.7120	0.000	1	108.0050	0.116	4	107.1315	1.083	41	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:4:1:	4:	N[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H)	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]CH)(CHHO)(H)	H(C[6]N[5a,6]C[5a]C[6])	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]CH)(CHHO)(H){1|N<2>,2|H<1>,3|C<3>}	H(C[6]N[5a,6]C[5a]C[6])	108.1030	0.000	1	108.1030	0.000	1	108.0050	0.116	4	107.1315	1.083	41	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:4:1:	4:	N[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]S[5a])(C[6]C[6]CH)(H)	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6a]N[6]H)(CHHO)(H)	H(C[6]N[5a,6]C[5a]C[6])	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]S[5a])(C[6]C[6]CH)(H){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6a]N[6]H)(CHHO)(H){1|H<1>,1|S<2>,5|C<3>}	H(C[6]N[5a,6]C[5a]C[6])	108.1025	0.483	2	108.1025	0.233	2	108.0050	0.116	4	107.1315	1.083	41	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:4:1:	4:	N[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]N[6,6]C[6a]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]N[6,6]C[6a]C[6])	107.2240	0.000	1	107.2240	0.000	1	107.2240	0.000	1	107.1315	1.083	41	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:4:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6a]N[6]H)(CHHO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6a]N[6]H)(CHHO)(H){1|H<1>,1|S<2>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	108.6735	0.677	2	108.6735	0.458	2	106.8534	2.696	7	107.1315	1.083	41	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:4:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(CH3)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(CH3)(H){1|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	108.3310	0.000	1	108.3310	0.000	1	106.8534	2.696	7	107.1315	1.083	41	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:4:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HN)(CHHO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HN)(CHHO)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	105.5740	0.346	4	105.5740	0.120	4	106.8534	2.696	7	107.1315	1.083	41	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:4:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]HH)(CCHH)(COO)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|N<3>,1|O<2>,1|S<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]HH)(CCHH)(COO){1|S<2>,3|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	106.9590	0.000	1	106.9590	0.000	1	106.9590	0.000	1	107.1555	0.077	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:4:3:	4:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6]C[6]CN)(H)	C[6](C[6]C[6,6a]N[5a]H)(C[6]O[6]CH)(CH3)(NOO)	H(C[6]C[6,6a]N[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6]C[6]CN)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]N[5a]H)(C[6]O[6]CH)(CH3)(NOO){1|N<2>,3|C<3>}	H(C[6]C[6,6a]N[5a]C[6])	107.3520	0.000	1	107.3520	0.000	1	107.3520	0.000	1	107.1555	0.077	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:3:4:1:	4:4:4:4:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[3]O[6]H)(CCHH)(CH3)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[3]O[6]H)(CCHH)(CH3){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.2680	0.000	1	107.2680	0.000	1	107.2680	0.000	1	107.2680	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	2:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]O[6]HH)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C)(C[6]O[6]HH)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(H)2{3|C<3>}	H(C[6]C[6]2H)	108.6140	0.047	2	108.6140	0.002	2	109.0343	0.236	4	109.5647	0.556	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	2:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.4545	0.019	2	109.4545	0.000	2	109.0343	0.236	4	109.5647	0.556	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	2:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]O)(C[6]S[6]HH)(H)2	C[6](S[6]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]O)(C[6]S[6]HH)(H)2{2|C<3>}	C[6](S[6]C[5a,6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.2820	0.016	2	108.2820	0.000	2	108.2820	0.000	2	109.5647	0.556	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	2:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(H)2	C[6](O[6]C[6,6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.4870	0.011	2	109.9145	0.055	12	110.0149	0.185	14	109.5647	0.556	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	2:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(H)2	C[6](O[6]C[6,6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]N[6]HH)(H)2{3|C<3>}	H(C[6]C[6]N[6]H)	110.0000	0.137	10	109.9145	0.055	12	110.0149	0.185	14	109.5647	0.556	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	2:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	C[6](O[6]C[6,6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{4|C<3>}	C[6](O[6]C[6,6a])(C[6]N[6]HH)(H)2{3|C<3>}	H(C[6]C[6]N[6]H)	110.6175	0.978	2	110.6175	0.956	2	110.0149	0.185	14	109.5647	0.556	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	2:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]S[6]HH)(H)2	C[6](S[6]C[6,6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]S[6]HH)(H)2{2|C<3>}	C[6](S[6]C[6,6a])(C[6]N[6]HH)(H)2{1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	108.7565	0.008	2	108.7565	0.000	2	108.7565	0.000	2	109.5647	0.556	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	2:4:2:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-2:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]O[6]CH)(H)2	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CN)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]O[6]CH)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CN)(H){3|C<3>}	H(C[6]C[6]N[6]H)	111.2420	1.471	2	111.2420	2.163	2	111.2420	2.163	2	109.6400	5.374	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	2:4:2:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]O[6]HO)(H)2	C[6](O[6]C[6,6a])(C[6]N[6]HH)(OC)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]O[6]HO)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]N[6]HH)(OC)(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	108.0380	1.922	2	108.0380	3.694	2	108.0380	3.694	2	109.6400	5.374	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	2:4:3:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(COO)(H){1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.3480	0.000	1	109.3480	0.000	1	109.3480	0.000	1	109.1773	0.022	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	2:4:3:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-3:H-1:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]O[6]CH)(H)2	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CCH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]O[6]CH)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CCH)(H){1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.0920	0.031	2	109.0920	0.001	2	109.0920	0.001	2	109.1773	0.022	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	2:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]N)(C[6]O[6]CH)(H)2	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]N)(C[6]O[6]CH)(H)2{1|C<3>,1|N<3>}	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CH3)(H){1|N<2>,2|C<3>}	H(C[6]C[6]2H)	108.3340	0.024	2	108.3340	0.001	2	108.5237	0.048	4	108.9922	2.258	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	2:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]O[6]CH)(H)2	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]O[6]CH)(H)2{1|C<3>,1|O<2>}	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<3>}	H(C[6]C[6]2H)	108.7135	0.021	2	108.7135	0.000	2	108.5237	0.048	4	108.9922	2.258	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	2:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	S[6]-2:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6])(C[6]S[6]CH)(H)2	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6])(C[6]S[6]CH)(H)2{4|C<3>}	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CH3)(H){3|C<3>}	H(C[6]C[6]2H)	109.8875	3.914	2	109.8875	15.318	2	109.3828	5.446	4	108.9922	2.258	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	2:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	S[6]-2:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]S[6]CH)(H)2	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]S[6]CH)(H)2{2|C<3>}	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<3>}	H(C[6]C[6]2H)	108.8780	0.021	2	108.8780	0.000	2	109.3828	5.446	4	108.9922	2.258	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	2:4:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]O[6]CH)(H)2	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CN[5a]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]O[6]CH)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CN[5a]HH)(H){1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.3040	0.000	1	109.3040	0.000	1	109.3040	0.000	1	108.9922	2.258	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	2:4:4:2:	4:	C[6]-3:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]CO)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CF3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]O[6]CO)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CF3)(OH){1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.3725	0.008	2	109.3725	0.000	2	109.3725	0.000	2	109.3725	0.000	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	2:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[4,6]O)(C[6]O[6]CC)(H)2	C[6](O[6]C[4,5,6])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]O)(C[6]O[6]CC)(H)2{1|H<1>,2|C<4>}	C[6](O[6]C[4,5,6])(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.5452	0.156	6	109.5452	0.024	6	109.0979	0.186	34	109.0979	0.186	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	2:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[4,6]O)(C[6]O[6]CC)(H)2	C[6](O[6]C[4,6,6])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]O)(C[6]O[6]CC)(H)2{1|H<1>,2|C<4>}	C[6](O[6]C[4,6,6])(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.2250	0.518	6	109.2250	0.269	6	109.0979	0.186	34	109.0979	0.186	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	2:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]N)(C[6]O[6]CC)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]N)(C[6]O[6]CC)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2{1|N<2>,2|C<3>}	H(C[6]C[6]2H)	109.0965	1.104	2	109.0965	1.218	2	109.0979	0.186	34	109.0979	0.186	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	2:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]CC)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]O[6]CC)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.0408	0.211	13	109.0408	0.044	13	109.0979	0.186	34	109.0979	0.186	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	2:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]N[5,6]C)(C[6]O[6]CC)(H)2	C[6](O[6]In[5,6,6])(C[6]C[6]HH)(CF3)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C)(C[6]O[6]CC)(H)2{1|In<5>,1|C<4>}	C[6](O[6]In[5,6,6])(C[6]C[6]HH)(CF3)2{1|Cl<1>,1|C<4>,1|O<2>,2|N<3>}	H(C[6]C[6]2H)	108.5577	0.126	3	108.7117	0.087	7	109.0979	0.186	34	109.0979	0.186	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	2:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]N[5,6]C)(C[6]O[6]CC)(H)2	C[6](O[6]In[5,6,6])(C[6]C[6]HH)(CF3)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C)(C[6]O[6]CC)(H)2{1|In<5>,1|C<4>}	C[6](O[6]In[5,6,6])(C[6]C[6]HH)(CF3)2{1|O<2>,2|C<4>,2|N<3>}	H(C[6]C[6]2H)	108.8272	0.349	4	108.7117	0.087	7	109.0979	0.186	34	109.0979	0.186	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:3:4:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6,6a]N[5a]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]2)(C[6]C[5a,6]HH)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6,6a]N[5a]H)(H)2{1|N<2>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]2)(C[6]C[5a,6]HH)(H){1|H<1>,1|N<3>,7|C<3>}	H(C[6]C[5a,6]C[6]H)	109.6120	0.018	2	109.6120	0.000	2	109.6120	0.000	2	109.4838	0.023	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:3:4:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[5a,6]N[5a]H)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[5a]C[5a]N[5a])(C[6]N[5a,6]HH)(H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[5a,6]N[5a]H)(H)2{1|O<1>,2|N<3>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[5a]C[5a]N[5a])(C[6]N[5a,6]HH)(H){1|H<1>,1|O<1>,3|N<3>,4|C<3>}	H(C[6]N[5a,6]C[6]H)	109.3555	0.054	2	109.3555	0.003	2	109.3555	0.003	2	109.4838	0.023	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|Si<4>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|Si<4>,1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	108.7150	1.468	4	108.7150	2.155	4	108.7150	2.155	4	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.9950	0.000	1	109.6935	0.119	13	109.3712	1.047	17	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.5140	0.014	2	109.6935	0.119	13	109.3712	1.047	17	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.2540	0.021	2	109.6935	0.119	13	109.3712	1.047	17	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.9020	0.049	2	109.6935	0.119	13	109.3712	1.047	17	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|Si<4>,1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	110.1185	0.613	2	109.6935	0.119	13	109.3712	1.047	17	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.6107	0.099	4	109.6935	0.119	13	109.3712	1.047	17	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]S[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]S[5])(C[6]C[6,6a]HH)(H)2{1|S<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,1|S<2>,3|C<3>}	H(C[6]C[5,6]C[6]H)	107.4410	2.113	2	107.4410	4.464	2	109.3712	1.047	17	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]HH)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[5,6]C[6]H)	109.2070	1.416	2	109.2070	2.004	2	109.3712	1.047	17	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.8840	0.038	2	109.8912	0.001	4	109.8912	0.001	4	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6,6]HH)(H)2{1|N<2>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.8985	0.019	2	109.8912	0.001	4	109.8912	0.001	4	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2{1|N<2>,1|N<3>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5a,6]HH)(H)2{1|N<3>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	108.6010	0.000	1	108.6010	0.000	1	109.1489	0.271	11	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[5a,6]HH)(H)2{1|B<4>,1|N<3>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[5a,6]HH)(H)2{1|B<4>,1|N<3>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	109.2133	0.056	4	109.2133	0.003	4	109.1489	0.271	11	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[5a,6]HH)(H)2{1|N<2>,1|S<2>,2|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[5a,6]HH)(H)2{1|N<2>,1|O<2>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	109.8385	0.005	2	109.8385	0.000	2	109.1489	0.271	11	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[5a,6]HH)(H)2{1|N<2>,1|O<2>,2|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[5a,6]HH)(H)2{1|N<2>,1|S<2>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	109.4095	0.025	2	109.4095	0.001	2	109.1489	0.271	11	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5a,6]HH)(H)2{1|N<3>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2{1|N<2>,1|N<3>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	108.3440	0.006	2	108.3440	0.000	2	109.1489	0.271	11	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	109.6255	0.060	2	109.8091	0.140	30	109.7350	0.292	65	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	110.0925	0.054	2	109.8091	0.140	30	109.7350	0.292	65	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	109.9960	0.254	4	109.8091	0.140	30	109.7350	0.292	65	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	110.0820	0.561	6	109.8091	0.140	30	109.7350	0.292	65	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|S<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	109.8058	0.202	8	109.8091	0.140	30	109.7350	0.292	65	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|N<2>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	109.5032	0.072	4	109.8091	0.140	30	109.7350	0.292	65	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	109.4755	0.336	4	109.8091	0.140	30	109.7350	0.292	65	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|N<2>,1|N<3>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	110.0845	0.108	4	109.9798	0.034	6	109.7350	0.292	65	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]HH)(H)2{1|S<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|N<3>,1|O<2>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	109.7705	0.057	2	109.9798	0.034	6	109.7350	0.292	65	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6,6a]HH)(H)2{1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|S<2>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	110.6770	1.477	4	110.6770	2.183	4	109.7350	0.292	65	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2{1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	109.2495	0.177	4	109.4366	0.068	25	109.7350	0.292	65	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2{1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|N<2>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	109.4488	0.264	19	109.4366	0.068	25	109.7350	0.292	65	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2{1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{5|C<3>}	H(C[6]C[5a,6]C[6]H)	109.6945	0.015	2	109.4366	0.068	25	109.7350	0.292	65	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5,5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,5,6]HH)(H)2	C[6](N[5,5,6]C[5,5,6,6]2)(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](N[5,5,6]C[5,5,6,6]2)(C[6]C[5a,6]HH)(H)2{1|N<3>,2|C<4>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	109.7830	0.000	1	109.7830	0.000	1	109.7830	0.000	1	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5,6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6,6]HH)(H)2	C[6](N[5,6,6]C[5,5,6,6]C[5,6])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[5,6,6]C[5,5,6,6]C[5,6])(C[6]C[5a,6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	109.5635	0.028	2	109.5635	0.001	2	109.5635	0.001	2	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[5a,6]C[6]H)	109.5875	0.030	2	109.8353	0.082	4	109.7176	0.080	67	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5a,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	110.0830	0.018	2	109.8353	0.082	4	109.7176	0.080	67	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	109.1785	1.365	2	109.6935	0.078	59	109.7176	0.080	67	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|C<4>,1|O<1>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	109.9147	0.023	4	109.6935	0.078	59	109.7176	0.080	67	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	109.7139	0.183	27	109.6935	0.078	59	109.7176	0.080	67	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	109.6137	0.052	4	109.6935	0.078	59	109.7176	0.080	67	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	110.1310	0.000	1	109.6935	0.078	59	109.7176	0.080	67	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,1|O<2>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	109.8220	0.037	2	109.6935	0.078	59	109.7176	0.080	67	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[5a,6]C[6]H)	109.5360	0.295	6	109.6935	0.078	59	109.7176	0.080	67	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<4>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	109.6904	0.117	5	109.6935	0.078	59	109.7176	0.080	67	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,5|C<3>}	H(C[6]C[5a,6]C[6]H)	109.7560	0.000	1	109.6935	0.078	59	109.7176	0.080	67	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	109.7952	0.157	4	109.6935	0.078	59	109.7176	0.080	67	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|N<3>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	109.5963	0.099	3	109.6935	0.078	59	109.7176	0.080	67	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]S[5])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>}	C[6](N[5,6]C[5,6]S[5])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|O<1>,3|C<4>}	H(C[6]C[5a,6]C[6]H)	109.9560	0.241	4	109.9560	0.058	4	109.7176	0.080	67	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2	C[6](N[5a,6]C[5a,6]2)(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2{1|N<3>,4|C<3>}	C[6](N[5a,6]C[5a,6]2)(C[6]C[5a,6]HH)(H)2{1|C<4>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	109.3143	0.228	4	109.3143	0.052	4	109.4088	0.134	12	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2{1|N<3>,4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2{1|C<4>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	108.7770	0.008	2	109.4561	0.181	8	109.4088	0.134	12	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2{1|N<3>,4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2{1|N<2>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	109.7335	0.037	2	109.4561	0.181	8	109.4088	0.134	12	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2{1|N<3>,4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2{1|N<3>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	109.7380	0.054	2	109.4561	0.181	8	109.4088	0.134	12	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2{1|N<3>,4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2{5|C<3>}	H(C[6]C[5a,6]C[6]H)	109.5760	0.007	2	109.4561	0.181	8	109.4088	0.134	12	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]N[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	109.8204	0.662	31	109.8204	0.439	31	109.9164	0.268	138	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[5a,6]C[6]H)	109.9753	0.088	4	109.9148	0.013	6	109.9164	0.268	138	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5a,6]C[6]H)	109.7940	0.007	2	109.9148	0.013	6	109.9164	0.268	138	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	110.5210	0.464	2	109.9456	0.240	97	109.9164	0.268	138	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	109.8858	0.125	9	109.9456	0.240	97	109.9164	0.268	138	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|N<2>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	109.5900	0.035	2	109.9456	0.240	97	109.9164	0.268	138	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	110.0208	0.655	22	109.9456	0.240	97	109.9164	0.268	138	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	109.2520	0.441	2	109.9456	0.240	97	109.9164	0.268	138	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	109.7535	0.012	2	109.9456	0.240	97	109.9164	0.268	138	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[5a,6]C[6]H)	110.0240	0.275	9	109.9456	0.240	97	109.9164	0.268	138	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<4>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	110.2510	0.037	2	109.9456	0.240	97	109.9164	0.268	138	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	110.2229	0.917	9	109.9456	0.240	97	109.9164	0.268	138	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	109.8465	0.205	20	109.9456	0.240	97	109.9164	0.268	138	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5a,6]C[6]H)	109.5409	0.232	8	109.9456	0.240	97	109.9164	0.268	138	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	110.2080	0.008	2	109.9456	0.240	97	109.9164	0.268	138	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|N<3>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	110.1378	0.103	6	109.9456	0.240	97	109.9164	0.268	138	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|N<3>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{5|C<3>}	H(C[6]C[5a,6]C[6]H)	109.9195	0.019	2	109.9456	0.240	97	109.9164	0.268	138	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[5a,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	110.0260	0.037	2	109.9532	0.008	4	109.9164	0.268	138	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	109.8805	0.029	2	109.9532	0.008	4	109.9164	0.268	138	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]HH)(H)2	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]HH)(H)2{1|N<3>,4|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	109.5850	0.112	4	109.7540	0.044	8	109.7540	0.044	8	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]HH)(H)2	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]HH)(H)2{1|N<3>,4|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|O<1>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	109.9230	0.120	4	109.7540	0.044	8	109.7540	0.044	8	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2922	0.053	4	109.2922	0.003	4	109.0025	0.577	24	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3317	0.073	4	109.3317	0.005	4	109.0025	0.577	24	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	110.0680	0.034	2	108.8478	0.806	16	109.0025	0.577	24	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6,6]C[6]H)	110.0910	0.038	2	108.8478	0.806	16	109.0025	0.577	24	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|N<3>,4|C<3>}	H(C[6]C[6,6]C[6]H)	107.9468	0.276	4	108.8478	0.806	16	109.0025	0.577	24	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.4850	0.000	1	108.8478	0.806	16	109.0025	0.577	24	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|N<3>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.1875	0.277	4	108.8478	0.806	16	109.0025	0.577	24	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|N<3>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|N<3>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.0750	0.075	3	108.8478	0.806	16	109.0025	0.577	24	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	110.8605	5.293	2	110.8605	28.013	2	109.6210	1.198	74	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]HH)(H)2{1|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.8095	0.019	4	109.6484	0.066	10	109.6210	1.198	74	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.3680	0.137	4	109.6484	0.066	10	109.6210	1.198	74	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]HH)(H)2{1|N<3>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.8870	0.017	2	109.6484	0.066	10	109.6210	1.198	74	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6,6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|O<2>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.1085	0.083	2	109.1085	0.007	2	109.6210	1.198	74	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<2>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6,6]HH)(H)2{5|C<3>}	H(C[6]C[6,6]C[6]H)	109.9270	0.034	2	109.9270	0.001	2	109.6210	1.198	74	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.4210	0.034	2	109.4428	0.926	46	109.6210	1.198	74	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|S<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.1745	0.018	2	109.4428	0.926	46	109.6210	1.198	74	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.5388	0.532	12	109.4428	0.926	46	109.6210	1.198	74	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>}	H(C[6]C[6,6]C[6]H)	111.2160	2.349	4	109.4428	0.926	46	109.6210	1.198	74	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	108.2272	0.031	4	109.4428	0.926	46	109.6210	1.198	74	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.1760	0.385	7	109.4428	0.926	46	109.6210	1.198	74	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.1700	0.007	2	109.4428	0.926	46	109.6210	1.198	74	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.3033	0.158	4	109.4428	0.926	46	109.6210	1.198	74	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	110.0750	0.035	2	109.4428	0.926	46	109.6210	1.198	74	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.1090	0.303	4	109.4428	0.926	46	109.6210	1.198	74	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.5765	0.009	2	109.4428	0.926	46	109.6210	1.198	74	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.4160	0.000	1	109.4428	0.926	46	109.6210	1.198	74	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6]C[6]H)	110.2412	1.028	9	110.1937	0.962	10	109.6210	1.198	74	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6a]HH)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.7660	0.000	1	110.1937	0.962	10	109.6210	1.198	74	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|N<3>}	H(C[6]C[6,6]C[6]H)	109.6845	0.012	2	109.6845	0.000	2	109.6210	1.198	74	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.2250	0.045	4	109.2250	0.002	4	109.2250	0.002	4	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]N[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3070	0.049	9	109.3070	0.002	9	109.2409	0.014	13	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]N[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1575	0.033	2	109.1575	0.001	2	109.2409	0.014	13	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]N[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.0270	0.008	2	109.0270	0.000	2	109.2409	0.014	13	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3790	0.004	2	108.9107	0.218	14	108.7766	0.583	18	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.7085	0.021	2	108.9107	0.218	14	108.7766	0.583	18	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.1125	0.028	2	108.9107	0.218	14	108.7766	0.583	18	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8695	0.028	2	108.9107	0.218	14	108.7766	0.583	18	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|Si<4>,1|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5665	0.367	2	108.9107	0.218	14	108.7766	0.583	18	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8695	0.107	4	108.9107	0.218	14	108.7766	0.583	18	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]S[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,1|S<2>,3|C<3>}	C[6](C[5,6]C[5,6]S[5])(C[6]C[6,6a]HH)(H)2{1|S<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	107.6455	1.238	2	107.6455	1.533	2	108.7766	0.583	18	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]HH)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9690	1.631	2	108.9690	2.659	2	108.7766	0.583	18	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.4570	0.016	2	108.7377	0.348	28	108.6967	0.383	62	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8065	0.033	2	108.7377	0.348	28	108.6967	0.383	62	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1475	0.085	4	108.7377	0.348	28	108.6967	0.383	62	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9440	1.122	5	108.7377	0.348	28	108.6967	0.383	62	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|S<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9571	0.320	7	108.7377	0.348	28	108.6967	0.383	62	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|N<2>,1|N<3>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.1820	0.040	4	108.7377	0.348	28	108.6967	0.383	62	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|N<3>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.3478	0.401	4	108.7377	0.348	28	108.6967	0.383	62	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|N<2>,1|N<3>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0397	0.277	4	108.9693	0.059	6	108.6967	0.383	62	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|N<3>,1|O<2>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]HH)(H)2{1|S<4>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8285	0.080	2	108.9693	0.059	6	108.6967	0.383	62	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|S<2>,3|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6,6a]HH)(H)2{1|N<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.7445	1.333	4	109.7445	1.777	4	108.6967	0.383	62	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2{1|N<3>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.2425	0.131	4	108.4060	0.061	24	108.6967	0.383	62	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|N<2>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2{1|N<3>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.4146	0.258	18	108.4060	0.061	24	108.6967	0.383	62	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{5|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2{1|N<3>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.6555	0.012	2	108.4060	0.061	24	108.6967	0.383	62	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	107.6225	3.415	2	107.6225	11.660	2	109.2428	1.035	74	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6,6]HH)(H)2{5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<2>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3855	0.019	2	109.3855	0.000	2	109.2428	1.035	74	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]HH)(H)2{1|C<4>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6725	0.013	4	109.5984	0.041	10	109.2428	1.035	74	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4580	0.277	4	109.5984	0.041	10	109.2428	1.035	74	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]HH)(H)2{1|N<3>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.7310	0.011	2	109.5984	0.041	10	109.2428	1.035	74	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5a,6]C[6,6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|O<2>,4|C<3>}	C[6](C[6,6]C[5a,6]C[6,6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0080	0.000	1	109.0080	0.000	1	109.2428	1.035	74	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5470	0.000	1	109.3033	0.611	46	109.2428	1.035	74	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|S<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2975	0.030	2	109.3033	0.611	46	109.2428	1.035	74	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8471	1.002	11	109.3033	0.611	46	109.2428	1.035	74	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1285	0.005	2	109.3033	0.611	46	109.2428	1.035	74	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|N<3>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9952	0.068	5	109.3033	0.611	46	109.2428	1.035	74	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8268	0.322	4	109.3033	0.611	46	109.2428	1.035	74	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,2|N<3>}	H(C[6]C[6,6a]C[6]H)	109.3040	0.000	1	109.3033	0.611	46	109.2428	1.035	74	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8517	1.474	4	109.3033	0.611	46	109.2428	1.035	74	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.6157	0.031	4	109.3033	0.611	46	109.2428	1.035	74	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9155	0.378	8	109.3033	0.611	46	109.2428	1.035	74	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8090	0.028	2	109.3033	0.611	46	109.2428	1.035	74	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4170	0.024	2	109.3033	0.611	46	109.2428	1.035	74	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.6222	1.742	9	108.8447	2.673	11	109.2428	1.035	74	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6a]HH)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8460	0.047	2	108.8447	2.673	11	109.2428	1.035	74	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	109.8600	0.034	2	109.8600	0.001	2	109.2428	1.035	74	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2{1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5660	0.055	3	109.6685	0.036	28	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6808	0.197	25	109.6685	0.036	28	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3427	0.208	38	109.3427	0.043	38	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4424	0.106	5	109.4424	0.011	5	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2210	0.023	2	109.4868	0.027	10	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5532	0.095	8	109.4868	0.027	10	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2{1|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3638	0.047	4	109.8393	0.066	29	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.9154	0.181	25	109.8393	0.066	29	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3730	0.045	2	109.7307	0.033	12	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(H)2{5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8022	0.076	10	109.7307	0.033	12	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|C<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5850	0.028	2	109.5436	0.523	270	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4828	0.180	18	109.5436	0.523	270	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8585	0.009	2	109.5436	0.523	270	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3400	0.125	8	109.5436	0.523	270	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|C<3>,2|N<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2520	0.044	2	109.5436	0.523	270	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8180	0.166	4	109.5436	0.523	270	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5865	0.015	2	109.5436	0.523	270	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5977	0.097	3	109.5436	0.523	270	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3976	1.315	20	109.5436	0.523	270	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<3>,2|N<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6197	0.059	4	109.5436	0.523	270	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|C<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8885	0.029	2	109.5436	0.523	270	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4112	0.110	17	109.5436	0.523	270	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3424	0.116	7	109.5436	0.523	270	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|C<3>,2|N<2>}	H(C[6]C[6,6a]C[6]H)	109.2135	0.005	2	109.5436	0.523	270	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5757	0.117	4	109.5436	0.523	270	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8645	0.022	2	109.5436	0.523	270	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3540	0.929	20	109.5436	0.523	270	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<3>,2|N<2>}	H(C[6]C[6,6a]C[6]H)	109.3647	0.036	3	109.5436	0.523	270	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8887	0.192	18	109.5436	0.523	270	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3530	0.552	32	109.5436	0.523	270	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|N<3>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4502	0.086	5	109.5436	0.523	270	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.7355	0.028	2	109.5436	0.523	270	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3748	2.509	8	109.5436	0.523	270	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{2|N<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5005	0.015	2	109.5436	0.523	270	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8480	0.130	15	109.5436	0.523	270	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4890	0.710	30	109.5436	0.523	270	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6050	0.102	7	109.5436	0.523	270	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.7490	0.057	2	109.5436	0.523	270	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	110.4516	0.768	8	109.5436	0.523	270	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{2|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4730	0.007	2	109.5436	0.523	270	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.7539	0.136	17	109.5436	0.523	270	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.7658	0.181	26	109.7332	0.053	32	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<3>,2|N<2>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1225	0.008	2	109.7332	0.053	32	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{2|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8265	0.074	4	109.7332	0.053	32	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6,6a]HH)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5855	0.025	2	109.5855	0.001	2	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8827	0.215	9	109.8827	0.046	9	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.7619	0.193	28	109.7094	0.044	34	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<3>,2|N<2>}	H(C[6]C[6,6a]C[6]H)	109.4570	0.037	2	109.7094	0.044	34	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{2|N<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4682	0.064	4	109.7094	0.044	34	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6,6a]HH)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8440	0.011	2	109.8440	0.000	2	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6547	0.203	10	109.6547	0.041	10	109.5897	0.327	481	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[4,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[4,6]HH)(H)2	C[6](N[4,6]C[4,6]C[4])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[4,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](N[4,6]C[4,6]C[4])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8280	0.000	1	108.8280	0.000	1	108.8280	0.000	1	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	108.5080	0.018	2	108.5080	0.000	2	109.2830	0.112	147	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,5,6]N[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](N[5,6]C[5,5,6]N[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0590	0.042	2	109.0590	0.002	2	109.2830	0.112	147	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2367	0.105	6	109.1368	0.042	8	109.2830	0.112	147	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8370	0.034	2	109.1368	0.042	8	109.2830	0.112	147	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	109.0426	0.085	9	109.4591	0.335	17	109.2830	0.112	147	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.9276	0.533	8	109.4591	0.335	17	109.2830	0.112	147	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|S<3>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2565	0.044	4	109.2994	0.081	92	109.2830	0.112	147	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2990	0.139	2	109.2994	0.081	92	109.2830	0.112	147	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|S<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8425	0.460	2	109.2994	0.081	92	109.2830	0.112	147	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0113	0.034	4	109.2994	0.081	92	109.2830	0.112	147	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4855	0.029	2	109.2994	0.081	92	109.2830	0.112	147	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4790	0.000	1	109.2994	0.081	92	109.2830	0.112	147	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3187	0.136	4	109.2994	0.081	92	109.2830	0.112	147	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5155	0.045	2	109.2994	0.081	92	109.2830	0.112	147	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	109.3736	0.233	14	109.2994	0.081	92	109.2830	0.112	147	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|Ir<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3460	0.206	4	109.2994	0.081	92	109.2830	0.112	147	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2996	0.165	14	109.2994	0.081	92	109.2830	0.112	147	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,1|S<3>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	109.4750	0.000	1	109.2994	0.081	92	109.2830	0.112	147	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	109.1210	0.033	2	109.2994	0.081	92	109.2830	0.112	147	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3220	0.047	2	109.2994	0.081	92	109.2830	0.112	147	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5680	0.049	2	109.2994	0.081	92	109.2830	0.112	147	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{6|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4050	0.000	1	109.2994	0.081	92	109.2830	0.112	147	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2767	0.107	4	109.2994	0.081	92	109.2830	0.112	147	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|Cl<1>,1|C<4>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	108.9545	0.084	4	109.2994	0.081	92	109.2830	0.112	147	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0717	0.033	3	109.2994	0.081	92	109.2830	0.112	147	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6150	0.000	1	109.2994	0.081	92	109.2830	0.112	147	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.5700	1.096	2	109.2994	0.081	92	109.2830	0.112	147	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3390	0.000	1	109.2994	0.081	92	109.2830	0.112	147	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0780	0.011	2	109.2994	0.081	92	109.2830	0.112	147	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8005	0.040	2	109.2994	0.081	92	109.2830	0.112	147	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4038	0.042	4	109.2994	0.081	92	109.2830	0.112	147	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8940	0.025	2	109.2994	0.081	92	109.2830	0.112	147	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5730	0.011	2	109.2994	0.081	92	109.2830	0.112	147	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4595	0.333	2	109.2994	0.081	92	109.2830	0.112	147	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|N<3>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1335	0.022	2	109.2994	0.081	92	109.2830	0.112	147	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2475	0.237	8	109.2305	0.053	24	109.2830	0.112	147	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	108.7185	0.035	2	109.2305	0.053	24	109.2830	0.112	147	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2776	0.144	12	109.2305	0.053	24	109.2830	0.112	147	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3915	0.026	2	109.2305	0.053	24	109.2830	0.112	147	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,4|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(H)2{1|N<3>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2425	0.021	2	109.2425	0.000	2	109.2830	0.112	147	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|C<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2795	0.035	2	109.3595	0.058	28	109.2684	0.298	47	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5610	0.017	2	109.3595	0.058	28	109.2684	0.298	47	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4080	0.292	4	109.3595	0.058	28	109.2684	0.298	47	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3377	0.250	20	109.3595	0.058	28	109.2684	0.298	47	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]HH)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3880	0.024	2	109.3880	0.001	2	109.2684	0.298	47	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2{2|N<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9129	1.245	8	109.0787	0.811	15	109.2684	0.298	47	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2{5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2683	0.075	7	109.0787	0.811	15	109.2684	0.298	47	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[5a,6]HH)(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[5a,6]HH)(H)2{4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2960	0.033	2	109.2960	0.001	2	109.2684	0.298	47	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5770	0.072	3	109.5770	0.005	3	109.5006	0.298	267	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1525	0.011	2	109.5446	0.318	216	109.5006	0.298	267	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5752	1.555	13	109.5446	0.318	216	109.5006	0.298	267	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6610	0.033	2	109.5446	0.318	216	109.5006	0.298	267	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	110.2455	0.011	2	109.5446	0.318	216	109.5006	0.298	267	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4022	0.221	6	109.5446	0.318	216	109.5006	0.298	267	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	109.5899	0.432	34	109.5446	0.318	216	109.5006	0.298	267	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.7150	0.359	2	109.5446	0.318	216	109.5006	0.298	267	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6077	0.513	75	109.5446	0.318	216	109.5006	0.298	267	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6990	0.164	5	109.5446	0.318	216	109.5006	0.298	267	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5594	0.251	25	109.5446	0.318	216	109.5006	0.298	267	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0300	0.212	4	109.5446	0.318	216	109.5006	0.298	267	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|S<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0018	0.155	4	109.5446	0.318	216	109.5006	0.298	267	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2199	0.459	18	109.5446	0.318	216	109.5006	0.298	267	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.7250	0.054	2	109.5446	0.318	216	109.5006	0.298	267	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6157	0.277	21	109.5446	0.318	216	109.5006	0.298	267	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6200	0.000	1	109.5446	0.318	216	109.5006	0.298	267	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]N[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|F<1>,1|N<3>,2|C<3>}	C[6](N[6,6]C[6,6]N[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3872	0.321	4	109.4300	0.108	13	109.5006	0.298	267	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]N[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6,6]C[6,6]N[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3873	0.040	3	109.4300	0.108	13	109.5006	0.298	267	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]N[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6,6]C[6,6]N[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4098	0.547	4	109.4300	0.108	13	109.5006	0.298	267	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]N[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6](N[6,6]C[6,6]N[6])(C[6]C[6,6a]HH)(H)2{1|N<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6200	0.007	2	109.4300	0.108	13	109.5006	0.298	267	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]S[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,1|S<3>,2|C<3>}	C[6](N[6,6]C[6,6]S[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2225	0.738	6	109.2698	0.332	10	109.5006	0.298	267	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]S[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](N[6,6]C[6,6]S[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	H(C[6]C[6,6a]C[6]H)	109.1030	0.028	2	109.2698	0.332	10	109.5006	0.298	267	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]S[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[6](N[6,6]C[6,6]S[6])(C[6]C[6,6a]HH)(H)2{1|N<2>,2|O<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5785	0.045	2	109.2698	0.332	10	109.5006	0.298	267	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3526	0.424	9	109.2404	0.163	25	109.5006	0.298	267	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0891	0.330	14	109.2404	0.163	25	109.5006	0.298	267	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.7945	0.069	2	109.2404	0.163	25	109.5006	0.298	267	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]HH)(H)2	C[6](N[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6](N[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2{1|N<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4640	0.000	1	109.4640	0.000	1	109.4640	0.000	1	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4365	0.043	4	109.4365	0.002	4	109.4365	0.002	4	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]C[6a])(C[6]C[6]HH)(H)2{5|C<3>}	C[6](C[6]C[4,6]C[6a])(C[6]C[6]HH)(H)2{5|C<3>}	H(C[6]C[6]2H)	108.2351	0.255	11	108.2351	0.065	11	109.1128	0.310	61	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.4740	0.114	4	109.5283	0.011	7	109.1128	0.310	61	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.6007	0.031	3	109.5283	0.011	7	109.1128	0.310	61	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	109.3675	0.067	2	109.3777	0.002	4	109.1128	0.310	61	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|N<3>}	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	109.3880	0.014	2	109.3777	0.002	4	109.1128	0.310	61	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.0415	0.185	4	109.0415	0.034	4	109.1128	0.310	61	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.9910	0.016	2	108.9910	0.000	2	109.1128	0.310	61	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|N<3>}	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	109.5098	0.071	5	109.5098	0.005	5	109.1128	0.310	61	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.1095	0.008	2	109.1095	0.000	2	109.1128	0.310	61	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.5980	0.030	2	109.5980	0.001	2	109.1128	0.310	61	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.4095	0.032	2	109.4095	0.001	2	109.1128	0.310	61	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2{3|C<3>}	H(C[6]C[6]2H)	109.9975	0.160	4	110.0420	0.020	6	109.1128	0.310	61	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[5])(C[6]C[6]HH)(H)2{1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2{3|C<3>}	H(C[6]C[6]2H)	110.1310	0.007	2	110.0420	0.020	6	109.1128	0.310	61	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2{3|C<3>}	C[6](C[6]C[6,6a]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[6]C[6]2H)	109.0140	0.284	4	108.9310	0.065	6	109.1128	0.310	61	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2{3|C<3>}	C[6](C[6]C[6,6a]C[5])(C[6]C[6]HH)(H)2{1|O<1>,4|C<3>}	H(C[6]C[6]2H)	108.7650	0.034	2	108.9310	0.065	6	109.1128	0.310	61	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.7445	0.025	2	108.7903	0.003	4	109.1128	0.310	61	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|N<3>}	H(C[6]C[6]2H)	108.8360	0.006	2	108.7903	0.003	4	109.1128	0.310	61	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|N<3>}	H(C[6]C[6]2H)	109.0260	0.068	6	109.0260	0.005	6	109.1128	0.310	61	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]N[6]HH)(H)2	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0645	0.033	2	109.0645	0.001	2	109.7542	4.044	14	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(H)2	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>}	H(C[6]C[6]2H)	113.7035	3.956	2	113.7035	15.652	2	109.7542	4.044	14	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C)(C[6]N[6]HH)(H)2	C[6](N[6]C[5a,6]S)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C)(C[6]N[6]HH)(H)2{1|C<3>,1|N<3>,1|S<4>}	C[6](N[6]C[5a,6]S)(C[6]C[6]HH)(H)2{3|C<3>}	H(C[6]C[6]2H)	108.8620	0.021	2	108.8670	0.000	3	109.7542	4.044	14	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C)(C[6]N[6]HH)(H)2	C[6](N[6]C[5a,6]S)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C)(C[6]N[6]HH)(H)2{1|S<4>,2|C<3>}	C[6](N[6]C[5a,6]S)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>}	H(C[6]C[6]2H)	108.8770	0.000	1	108.8670	0.000	3	109.7542	4.044	14	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{3|C<3>}	H(C[6]C[6]2H)	109.3580	0.000	1	109.3580	0.000	1	109.7542	4.044	14	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]N)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>}	H(C[6]C[6]2H)	109.1103	0.259	4	109.1103	0.067	4	109.7542	4.044	14	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.3115	0.005	2	109.3115	0.000	2	109.7542	4.044	14	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	Ga[6]-3:C[6]-4:H-1:H-1:	Ga[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](Ga[6]C[6a]C[6])(C[6]Ga[6]HH)(H)2	C[6](Ga[6]C[6a]C[6])(C[6]Ga[6]HH)(H)2	H(C[6]Ga[6]C[6]H)	C[6](Ga[6]C[6a]C[6])(C[6]Ga[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](Ga[6]C[6a]C[6])(C[6]Ga[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]Ga[6]C[6]H)	109.4240	0.411	7	109.4240	0.169	7	109.4240	0.169	7	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[4,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[4,6]C[4,6]C[4])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[4,6]HH)(H)2	H(C[6]N[4,6]C[6]H)	C[6](N[4,6]C[4,6]C[4])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[4,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[4,6]C[6]H)	110.1420	0.000	1	110.1420	0.000	1	110.1420	0.000	1	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,5,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,5,6]C[5,5,6,6]2)(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,5,6]HH)(H)2	H(C[6]N[5,5,6]C[6]H)	C[6](N[5,5,6]C[5,5,6,6]2)(C[6]C[5a,6]HH)(H)2{1|N<3>,2|C<4>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[6]N[5,5,6]C[6]H)	110.1020	0.023	2	110.1020	0.001	2	110.1020	0.001	2	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6,6]C[5,5,6,6]C[5,6])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6,6]HH)(H)2	H(C[6]N[5,6,6]C[6]H)	C[6](N[5,6,6]C[5,5,6,6]C[5,6])(C[6]C[5a,6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]N[5,6,6]C[6]H)	109.7180	0.011	2	109.7180	0.000	2	109.7180	0.000	2	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]N[5,6]C[6]H)	108.4575	1.942	2	108.9510	1.583	4	109.5692	0.455	69	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5a,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[6]N[5,6]C[6]H)	109.4445	0.021	2	108.9510	1.583	4	109.5692	0.455	69	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]N[5,6]C[6]H)	112.5880	0.542	2	109.6621	0.341	61	109.5692	0.455	69	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|C<4>,1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]N[5,6]C[6]H)	109.7765	0.023	4	109.6621	0.341	61	109.5692	0.455	69	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]N[5,6]C[6]H)	109.5248	0.136	26	109.6621	0.341	61	109.5692	0.455	69	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]N[5,6]C[6]H)	109.5315	0.028	4	109.6621	0.341	61	109.5692	0.455	69	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]N[5,6]C[6]H)	109.9115	0.006	2	109.6621	0.341	61	109.5692	0.455	69	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,1|O<2>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]N[5,6]C[6]H)	109.5020	0.038	2	109.6621	0.341	61	109.5692	0.455	69	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]N[5,6]C[6]H)	109.6482	0.213	6	109.6621	0.341	61	109.5692	0.455	69	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<4>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]N[5,6]C[6]H)	109.5317	0.076	6	109.6621	0.341	61	109.5692	0.455	69	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|N<3>,4|C<3>}	H(C[6]N[5,6]C[6]H)	109.4390	0.021	4	109.6621	0.341	61	109.5692	0.455	69	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,5|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]N[5,6]C[6]H)	109.5965	0.013	2	109.6621	0.341	61	109.5692	0.455	69	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[6]N[5,6]C[6]H)	109.4937	0.758	3	109.6621	0.341	61	109.5692	0.455	69	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]S[5])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]S[5])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|O<1>,3|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>}	H(C[6]N[5,6]C[6]H)	108.7712	0.602	4	108.7712	0.363	4	109.5692	0.455	69	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	110.1380	0.195	9	110.1380	0.038	9	110.0018	0.073	13	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.7680	0.031	2	109.7680	0.001	2	110.0018	0.073	13	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]N[5,6]C[6]H)	109.6230	0.037	2	109.6230	0.001	2	110.0018	0.073	13	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,5,6]N[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6]N[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6]N[5,6]C[6]H)	109.4400	0.000	1	109.4400	0.000	1	109.9171	0.257	145	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]N[5,6]C[6]H)	110.4102	0.226	6	110.2968	0.081	8	109.9171	0.257	145	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]N[5,6]C[6]H)	109.9565	0.019	2	110.2968	0.081	8	109.9171	0.257	145	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	109.9970	0.054	2	109.9970	0.003	2	109.9171	0.257	145	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]N[5,6]C[6]H)	109.2219	0.277	8	109.5046	0.140	17	109.9171	0.257	145	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	109.7560	0.247	9	109.5046	0.140	17	109.9171	0.257	145	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|S<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	109.7085	0.006	4	109.8808	0.300	88	109.9171	0.257	145	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	110.9465	1.025	2	109.8808	0.300	88	109.9171	0.257	145	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|S<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	111.4620	0.717	2	109.8808	0.300	88	109.9171	0.257	145	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	109.9150	0.034	2	109.8808	0.300	88	109.9171	0.257	145	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]N[5,6]C[6]H)	108.8780	0.060	4	109.8808	0.300	88	109.9171	0.257	145	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]N[5,6]C[6]H)	111.5020	1.167	2	109.8808	0.300	88	109.9171	0.257	145	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	110.2670	0.037	2	109.8808	0.300	88	109.9171	0.257	145	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]N[5,6]C[6]H)	110.0460	0.000	1	109.8808	0.300	88	109.9171	0.257	145	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	109.3570	0.000	1	109.8808	0.300	88	109.9171	0.257	145	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	109.7800	0.220	4	109.8808	0.300	88	109.9171	0.257	145	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]N[5,6]C[6]H)	109.7915	0.384	2	109.8808	0.300	88	109.9171	0.257	145	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	110.0335	0.009	2	109.8808	0.300	88	109.9171	0.257	145	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]N[5,6]C[6]H)	109.2750	0.000	1	109.8808	0.300	88	109.9171	0.257	145	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	109.9122	0.074	13	109.8808	0.300	88	109.9171	0.257	145	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]N[5,6]C[6]H)	108.8565	0.028	2	109.8808	0.300	88	109.9171	0.257	145	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|Ir<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	109.7987	0.308	4	109.8808	0.300	88	109.9171	0.257	145	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]N[5,6]C[6]H)	109.0720	0.018	2	109.8808	0.300	88	109.9171	0.257	145	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]N[5,6]C[6]H)	109.9395	0.056	2	109.8808	0.300	88	109.9171	0.257	145	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	109.9550	0.239	13	109.8808	0.300	88	109.9171	0.257	145	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>}	H(C[6]N[5,6]C[6]H)	110.0378	0.020	4	109.8808	0.300	88	109.9171	0.257	145	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,1|S<3>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	109.9080	0.004	2	109.8808	0.300	88	109.9171	0.257	145	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	109.8775	0.025	2	109.8808	0.300	88	109.9171	0.257	145	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|Cl<1>,1|C<4>,3|C<3>}	H(C[6]N[5,6]C[6]H)	109.6613	0.018	3	109.8808	0.300	88	109.9171	0.257	145	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	110.0640	0.000	1	109.8808	0.300	88	109.9171	0.257	145	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]N[5,6]C[6]H)	109.7047	0.222	3	109.8808	0.300	88	109.9171	0.257	145	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	109.8370	0.025	2	109.8808	0.300	88	109.9171	0.257	145	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]N[5,6]C[6]H)	109.9295	0.021	2	109.8808	0.300	88	109.9171	0.257	145	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]N[5,6]C[6]H)	109.6970	0.027	2	109.8808	0.300	88	109.9171	0.257	145	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	109.7585	0.028	2	109.8808	0.300	88	109.9171	0.257	145	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]N[5,6]C[6]H)	110.2581	0.149	10	110.1784	0.066	27	109.9171	0.257	145	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]N[5,6]C[6]H)	109.8645	0.015	2	110.1784	0.066	27	109.9171	0.257	145	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]N[5,6]C[6]H)	110.1824	0.320	13	110.1784	0.066	27	109.9171	0.257	145	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]N[5,6]C[6]H)	110.0685	0.023	2	110.1784	0.066	27	109.9171	0.257	145	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(H)2{1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]N[5,6]C[6]H)	110.1335	0.035	2	110.1335	0.001	2	109.9171	0.257	145	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2{1|N<4>,3|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	109.3120	0.000	1	109.9137	0.272	3	109.7074	0.100	27	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2{1|N<4>,3|C<4>,3|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	110.2145	0.008	2	109.9137	0.272	3	109.7074	0.100	27	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.2220	0.124	6	109.6816	0.084	24	109.7074	0.100	27	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]N[5,6]C[6]H)	109.8612	0.016	4	109.6816	0.084	24	109.7074	0.100	27	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]N[5,6]C[6]H)	109.8273	0.108	14	109.6816	0.084	24	109.7074	0.100	27	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[5a,6]HH)(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5a,6]HH)(H)2{1|C<4>,1|S<1>,1|S<2>,3|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,4|C<3>}	H(C[6]N[5,6]C[6]H)	110.0877	0.082	6	110.0877	0.007	6	110.0877	0.007	6	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[6,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[5,6]HH)(H)2{1|N<3>,1|O<1>,4|C<4>}	H(C[6]N[5,6]C[6]H)	109.3710	0.030	2	110.0657	0.296	6	110.0657	0.296	6	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[6,6]HH)(H)2{1|H<1>,1|N<4>,5|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[5,6]HH)(H)2{1|N<4>,2|H<1>,4|C<4>}	H(C[6]N[5,6]C[6]H)	110.3305	0.039	2	110.0657	0.296	6	110.0657	0.296	6	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[6,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[5,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	H(C[6]N[5,6]C[6]H)	110.4955	0.015	2	110.0657	0.296	6	110.0657	0.296	6	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]Ge[6])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2{1|Ge<3>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]N[5,6]HH)(H)2{1|Cl<1>,4|C<3>}	H(C[6]N[5,6]C[6]H)	109.1582	0.090	4	109.2258	0.016	6	109.5078	0.189	9	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]Ge[6])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2{1|Ge<3>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]N[5,6]HH)(H)2{1|O<2>,4|C<3>}	H(C[6]N[5,6]C[6]H)	109.3610	0.006	2	109.2258	0.016	6	109.5078	0.189	9	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(H)2{2|C<4>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	110.0717	0.048	3	110.0717	0.002	3	109.5078	0.189	9	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]2)(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]2)(C[6]C[5a,6]HH)(H)2{1|C<4>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2{1|N<3>,4|C<3>}	H(C[6]N[5a,6]C[6]H)	108.9577	0.490	6	108.9577	0.240	6	109.1159	0.230	14	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2{1|C<4>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2{1|N<3>,4|C<3>}	H(C[6]N[5a,6]C[6]H)	108.5065	0.032	2	109.2346	0.219	8	109.1159	0.230	14	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2{1|N<2>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2{1|N<3>,4|C<3>}	H(C[6]N[5a,6]C[6]H)	109.6350	0.013	2	109.2346	0.219	8	109.1159	0.230	14	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2{1|N<3>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2{1|N<3>,4|C<3>}	H(C[6]N[5a,6]C[6]H)	109.4955	0.006	2	109.2346	0.219	8	109.1159	0.230	14	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2{5|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2{1|N<3>,4|C<3>}	H(C[6]N[5a,6]C[6]H)	109.3015	0.054	2	109.2346	0.219	8	109.1159	0.230	14	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|C<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6]H)	109.9280	0.017	2	109.8816	0.025	30	109.9583	0.136	49	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6]H)	110.1750	0.008	2	109.8816	0.025	30	109.9583	0.136	49	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6]H)	109.9215	0.193	4	109.8816	0.025	30	109.9583	0.136	49	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6]H)	109.8434	0.140	22	109.8816	0.025	30	109.9583	0.136	49	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[5a,6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[5a,6]HH)(H)2{4|C<3>}	H(C[6]N[5a,6]C[6]H)	109.9045	0.009	2	109.9045	0.000	2	109.9583	0.136	49	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]HH)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	H(C[6]N[5a,6]C[6]H)	110.0960	0.013	2	110.0960	0.000	2	109.9583	0.136	49	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2{2|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6]H)	110.2793	0.809	8	110.1005	0.378	15	109.9583	0.136	49	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6]H)	109.8963	0.163	7	110.1005	0.378	15	109.9583	0.136	49	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[5a,6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[5a,6]HH)(H)2{1|C<4>,1|S<1>,1|S<2>,3|C<3>}	H(C[6]N[5a,6]C[6]H)	109.8155	0.060	6	109.8155	0.004	6	109.8155	0.004	6	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]HH)(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]HH)(H)2{1|Cl<1>,1|N<2>,3|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6]H)	109.7215	0.006	2	109.7320	0.000	4	109.7093	0.122	24	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]HH)(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]HH)(H)2{1|Cl<1>,1|N<2>,3|C<3>}	H(C[6]N[5a,6]C[6]H)	109.7425	0.006	2	109.7320	0.000	4	109.7093	0.122	24	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[5a,6]HH)(H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[5a,6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[5a,6]HH)(H)2{1|N<2>,3|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[5a,6]HH)(H)2{1|N<2>,3|C<3>}	H(C[6]N[5a,6]C[6]H)	110.1277	0.044	4	110.1277	0.002	4	109.7093	0.122	24	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[5a,6]HH)(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[5a,6]HH)(H)2{4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2{1|N<2>,4|C<3>}	H(C[6]N[5a,6]C[6]H)	109.9420	0.048	2	109.9420	0.002	2	109.7093	0.122	24	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[5a,6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2{1|N<2>,4|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[5a,6]HH)(H)2{4|C<3>}	H(C[6]N[5a,6]C[6]H)	109.8645	0.032	2	109.8645	0.001	2	109.7093	0.122	24	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2{1|N<2>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2{1|N<2>,4|C<3>}	H(C[6]N[5a,6]C[6]H)	109.4977	0.358	12	109.4977	0.128	12	109.7093	0.122	24	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]N[5a,6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]N[5a,6]C[6]H)	109.7535	0.039	2	109.7535	0.002	2	109.7535	0.002	2	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	H(C[6]N[6,6]C[6]H)	109.2730	0.013	2	109.2050	0.007	4	109.2050	0.007	4	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|N<3>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6,6]HH)(H)2{1|N<2>,4|C<3>}	H(C[6]N[6,6]C[6]H)	109.1370	0.037	2	109.2050	0.007	4	109.2050	0.007	4	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]N[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[6]N[6,6]C[6]H)	108.6796	0.725	32	108.6796	0.526	32	109.2861	0.525	141	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[6]N[6,6]C[6]H)	109.4803	0.041	3	109.4234	0.007	5	109.2861	0.525	141	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[6]N[6,6]C[6]H)	109.3380	0.014	2	109.4234	0.007	5	109.2861	0.525	141	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]N[6,6]C[6]H)	109.9105	0.903	2	109.4733	0.422	100	109.2861	0.525	141	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]N[6,6]C[6]H)	109.4520	0.159	10	109.4733	0.422	100	109.2861	0.525	141	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[6]N[6,6]C[6]H)	109.8262	0.583	9	109.4733	0.422	100	109.2861	0.525	141	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|N<2>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]N[6,6]C[6]H)	107.8805	0.021	2	109.4733	0.422	100	109.2861	0.525	141	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]N[6,6]C[6]H)	109.7827	0.778	23	109.4733	0.422	100	109.2861	0.525	141	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]N[6,6]C[6]H)	109.6620	1.454	2	109.4733	0.422	100	109.2861	0.525	141	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|N<3>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|N<3>,4|C<3>}	H(C[6]N[6,6]C[6]H)	109.1383	0.066	6	109.4733	0.422	100	109.2861	0.525	141	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]N[6,6]C[6]H)	109.4710	0.000	1	109.4733	0.422	100	109.2861	0.525	141	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]N[6,6]C[6]H)	109.7333	0.885	10	109.4733	0.422	100	109.2861	0.525	141	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<4>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]N[6,6]C[6]H)	109.4370	0.008	2	109.4733	0.422	100	109.2861	0.525	141	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[6]N[6,6]C[6]H)	109.2009	0.270	21	109.4733	0.422	100	109.2861	0.525	141	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[6]N[6,6]C[6]H)	109.1306	0.122	8	109.4733	0.422	100	109.2861	0.525	141	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[6]N[6,6]C[6]H)	109.9740	0.028	2	109.4733	0.422	100	109.2861	0.525	141	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{5|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|N<3>,4|C<3>}	H(C[6]N[6,6]C[6]H)	108.8705	0.036	2	109.4733	0.422	100	109.2861	0.525	141	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[5a,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]N[6,6]C[6]H)	109.3280	0.025	2	109.2887	0.004	4	109.2861	0.525	141	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]N[6,6]C[6]H)	109.2495	0.063	2	109.2887	0.004	4	109.2861	0.525	141	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[6,6]C[6]H)	109.5933	0.076	4	109.5933	0.006	4	109.8624	0.529	277	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[6,6]C[6]H)	109.8070	0.013	2	109.8543	0.360	225	109.8624	0.529	277	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[6,6]C[6]H)	110.4501	1.226	14	109.8543	0.360	225	109.8624	0.529	277	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[6,6]C[6]H)	109.9030	0.018	2	109.8543	0.360	225	109.8624	0.529	277	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[6,6]C[6]H)	109.7310	0.014	2	109.8543	0.360	225	109.8624	0.529	277	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]N[6,6]C[6]H)	109.7757	0.250	26	109.8543	0.360	225	109.8624	0.529	277	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[6,6]C[6]H)	109.2705	0.448	6	109.8543	0.360	225	109.8624	0.529	277	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[6,6]C[6]H)	110.0109	0.729	32	109.8543	0.360	225	109.8624	0.529	277	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,4|C<3>}	H(C[6]N[6,6]C[6]H)	109.8468	0.550	77	109.8543	0.360	225	109.8624	0.529	277	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]N[6,6]C[6]H)	109.6911	0.354	27	109.8543	0.360	225	109.8624	0.529	277	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]N[6,6]C[6]H)	109.4340	0.017	2	109.8543	0.360	225	109.8624	0.529	277	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]N[6,6]C[6]H)	109.8395	0.178	4	109.8543	0.360	225	109.8624	0.529	277	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|S<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]N[6,6]C[6]H)	109.7017	0.294	3	109.8543	0.360	225	109.8624	0.529	277	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]N[6,6]C[6]H)	109.6876	0.385	19	109.8543	0.360	225	109.8624	0.529	277	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]N[6,6]C[6]H)	109.8715	0.028	2	109.8543	0.360	225	109.8624	0.529	277	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[6,6]C[6]H)	110.9565	0.862	2	109.8543	0.360	225	109.8624	0.529	277	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,4|C<3>}	H(C[6]N[6,6]C[6]H)	109.7958	0.140	5	109.8543	0.360	225	109.8624	0.529	277	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]N[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]N[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]N[6,6]C[6]H)	110.0943	0.159	4	110.2651	0.117	14	109.8624	0.529	277	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]N[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]N[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|F<1>,1|N<3>,2|C<3>}	H(C[6]N[6,6]C[6]H)	110.1958	0.228	4	110.2651	0.117	14	109.8624	0.529	277	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]N[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]N[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]N[6,6]C[6]H)	110.7120	0.077	4	110.2651	0.117	14	109.8624	0.529	277	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]N[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]N[6])(C[6]C[6,6a]HH)(H)2{1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	H(C[6]N[6,6]C[6]H)	109.8520	0.006	2	110.2651	0.117	14	109.8624	0.529	277	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]S[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]S[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6]N[6,6]C[6]H)	110.3735	0.035	2	110.5812	1.754	10	109.8624	0.529	277	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]S[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]S[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,1|S<3>,2|C<3>}	H(C[6]N[6,6]C[6]H)	110.9547	1.624	6	110.5812	1.754	10	109.8624	0.529	277	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]S[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]S[6])(C[6]C[6,6a]HH)(H)2{1|N<2>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,1|S<4>,3|C<3>}	H(C[6]N[6,6]C[6]H)	109.6685	0.023	2	110.5812	1.754	10	109.8624	0.529	277	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[6,6]C[6]H)	110.2739	0.716	8	109.4492	1.578	24	109.8624	0.529	277	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[6,6]C[6]H)	109.0016	1.370	14	109.4492	1.578	24	109.8624	0.529	277	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[6,6]C[6]H)	109.2835	0.067	2	109.4492	1.578	24	109.8624	0.529	277	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[5,6]HH)(H)2{1|N<3>,1|O<1>,4|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[6,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]N[6,6]C[6]H)	109.6470	0.000	1	109.2965	0.079	4	109.2965	0.079	4	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[5,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[6,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	H(C[6]N[6,6]C[6]H)	109.3990	0.000	1	109.2965	0.079	4	109.2965	0.079	4	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[5,6]HH)(H)2{1|N<4>,2|H<1>,4|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[6,6]HH)(H)2{1|H<1>,1|N<4>,5|C<4>}	H(C[6]N[6,6]C[6]H)	109.0700	0.033	2	109.2965	0.079	4	109.2965	0.079	4	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]N[5a,6]HH)(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]N[6,6]C[6]H)	109.6925	0.019	2	109.6925	0.000	2	109.6925	0.000	2	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(C[6]N[6,6]C[6]H)	109.6485	0.039	2	109.6898	0.068	19	110.0479	0.737	77	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|N<3>,1|O<1>,4|C<4>}	H(C[6]N[6,6]C[6]H)	109.4070	0.016	2	109.6898	0.068	19	110.0479	0.737	77	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	109.4525	0.037	2	109.6898	0.068	19	110.0479	0.737	77	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|N<3>,1|O<1>,4|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]N[6,6]C[6]H)	109.7235	0.018	2	109.6898	0.068	19	110.0479	0.737	77	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	H(C[6]N[6,6]C[6]H)	109.6105	0.110	4	109.6898	0.068	19	110.0479	0.737	77	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	109.7780	0.160	4	109.6898	0.068	19	110.0479	0.737	77	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|N<4>,3|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	110.2975	0.006	2	109.6898	0.068	19	110.0479	0.737	77	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|N<4>,3|C<4>,3|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	109.4940	0.000	1	109.6898	0.068	19	110.0479	0.737	77	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]N[6,6]C[6]H)	110.3640	1.699	4	110.3640	2.886	4	110.0479	0.737	77	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]N[6,6]C[6]H)	109.6027	0.122	3	110.2197	0.806	50	110.0479	0.737	77	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]N[6,6]C[6]H)	110.2591	0.912	47	110.2197	0.806	50	110.0479	0.737	77	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6a]C[6,6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]N[6,6]C[6]H)	109.2850	0.046	4	109.2850	0.002	4	110.0479	0.737	77	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6,6a]HH)(H)2	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6,6a]HH)(H)2{1|C<4>,4|C<3>}	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,4|C<3>}	H(C[6]N[6,6]C[6]H)	109.6215	0.021	2	109.2874	2.477	15	109.2874	2.477	15	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6,6a]HH)(H)2	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]N[6,6]C[6]H)	109.2360	1.694	13	109.2874	2.477	15	109.2874	2.477	15	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]HH)(H)2	H(C[6]N[6,6a]C[6]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]HH)(H)2{1|N<3>,4|C<3>}	H(C[6]N[6,6a]C[6]H)	108.6043	0.027	4	108.8386	0.082	8	108.8386	0.082	8	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]HH)(H)2	H(C[6]N[6,6a]C[6]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]HH)(H)2{1|N<3>,4|C<3>}	H(C[6]N[6,6a]C[6]H)	109.0730	0.212	4	108.8386	0.082	8	108.8386	0.082	8	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]HH)(H)2	H(C[6]N[6,6a]C[6]H)	C[6](N[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2{1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	H(C[6]N[6,6a]C[6]H)	109.5940	0.004	2	109.5940	0.000	2	109.5940	0.000	2	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6,6a]HH)(H)2	H(C[6]N[6,6a]C[6]H)	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,4|C<3>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6,6a]HH)(H)2{1|C<4>,4|C<3>}	H(C[6]N[6,6a]C[6]H)	109.6645	0.011	2	109.3918	0.716	16	109.3918	0.716	16	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6,6a]HH)(H)2	H(C[6]N[6,6a]C[6]H)	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6,6a]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]N[6,6a]C[6]H)	109.3529	0.902	14	109.3918	0.716	16	109.3918	0.716	16	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6a]C[5a,6,6a]B[6a])(C[6]N[6,6a]HH)(H)2	C[6](N[6,6a]C[5a,6,6a]B[6a])(C[6]N[6,6a]HH)(H)2	H(C[6]N[6,6a]C[6]H)	C[6](N[6,6a]C[5a,6,6a]B[6a])(C[6]N[6,6a]HH)(H)2{1|B<3>,4|C<3>}	C[6](N[6,6a]C[5a,6,6a]B[6a])(C[6]N[6,6a]HH)(H)2{1|B<3>,4|C<3>}	H(C[6]N[6,6a]C[6]H)	109.1668	0.081	4	109.1668	0.007	4	109.6504	0.148	25	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6a]C[6,6a,6a]B[6a])(C[6]N[6,6a]HH)(H)2	C[6](N[6,6a]C[6,6a,6a]B[6a])(C[6]N[6,6a]HH)(H)2	H(C[6]N[6,6a]C[6]H)	C[6](N[6,6a]C[6,6a,6a]B[6a])(C[6]N[6,6a]HH)(H)2{1|B<3>,4|C<3>}	C[6](N[6,6a]C[6,6a,6a]B[6a])(C[6]N[6,6a]HH)(H)2{1|B<3>,4|C<3>}	H(C[6]N[6,6a]C[6]H)	109.4468	0.059	10	109.4468	0.004	10	109.6504	0.148	25	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]HH)(H)2	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]HH)(H)2	H(C[6]N[6,6a]C[6]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]HH)(H)2{1|N<2>,1|O<1>,3|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]HH)(H)2{1|N<2>,1|O<1>,3|C<3>}	H(C[6]N[6,6a]C[6]H)	110.0113	0.269	11	110.0113	0.073	11	109.6504	0.148	25	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.1215	0.023	2	109.1215	0.001	2	109.2001	1.739	16	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>}	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	110.9535	4.266	2	110.9535	18.199	2	109.2001	1.739	16	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5a,6]S)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]C)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a,6]S)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]C)(C[6]N[6]HH)(H)2{1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	108.7690	0.035	2	108.8072	0.003	4	109.2001	1.739	16	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5a,6]S)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]C)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a,6]S)(C[6]C[6]HH)(H)2{3|C<3>}	C[6](C[6]C[5a,6]C)(C[6]N[6]HH)(H)2{1|C<3>,1|N<3>,1|S<4>}	H(C[6]C[6]N[6]H)	108.8455	0.037	2	108.8072	0.003	4	109.2001	1.739	16	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]C)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{3|C<3>}	C[6](C[6]C[6,6]C)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[6]C[6]N[6]H)	108.8890	0.020	2	108.8890	0.000	2	109.2001	1.739	16	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]O)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	108.9485	0.011	2	108.9485	0.000	2	109.2001	1.739	16	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]N)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>}	C[6](C[6]C[6,6a]N)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.0370	0.473	4	109.0370	0.224	4	109.2001	1.739	16	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(H)2{2|C<4>,4|C<3>}	H(C[6]C[6]N[6]H)	109.5320	0.000	1	109.5320	0.000	1	109.2276	0.027	7	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]Ge[6])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]Ge[6])(C[6]N[5,6]HH)(H)2{1|Cl<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2{1|Ge<3>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6]H)	109.2370	0.046	4	109.1768	0.010	6	109.2276	0.027	7	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]Ge[6])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]Ge[6])(C[6]N[5,6]HH)(H)2{1|O<2>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2{1|Ge<3>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6]H)	109.0565	0.045	2	109.1768	0.010	6	109.2276	0.027	7	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[4a,6]C)(C[6]N[6]HH)(H)2	C[6](N[6]C[4a,6]C)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[4a,6]C)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](N[6]C[4a,6]C)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	108.6083	0.171	3	108.6083	0.029	3	109.5569	0.552	227	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]N[6]HH)(H)2	C[6](N[6]C[5,6]C)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]N[6]HH)(H)2{1|Fe<8>,3|C<4>}	C[6](N[6]C[5,6]C)(C[6]N[6]HH)(H)2{1|Fe<8>,3|C<4>}	H(C[6]C[6]N[6]H)	109.3505	0.139	10	109.3505	0.019	10	109.5569	0.552	227	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[5,6]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C[6])(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[5,6]C[6])(C[6]N[6]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[6]C[6]N[6]H)	109.7770	0.062	2	109.4843	0.116	4	109.5569	0.552	227	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[5,6]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C[6])(C[6]N[6]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[6](N[6]C[5,6]C[6])(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.1915	0.043	2	109.4843	0.116	4	109.5569	0.552	227	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6]N)(C[6]N[6]HH)(H)2	C[6](N[6]C[5,6]N)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]N)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,2|N<3>}	C[6](N[6]C[5,6]N)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	109.7340	0.420	4	109.7340	0.177	4	109.5569	0.552	227	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5a,6]C)(C[6]N[6]HH)(H)2	C[6](N[6]C[5a,6]C)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a,6]C)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](N[6]C[5a,6]C)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.5220	0.028	2	109.5220	0.001	2	109.5569	0.552	227	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5a,6]H)(C[6]N[6]HH)(H)2	C[6](N[6]N[5a,6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a,6]H)(C[6]N[6]HH)(H)2{1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]N[5a,6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[6]N[6]H)	109.8310	0.000	1	109.8310	0.000	1	109.5569	0.552	227	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|S<2>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	110.7198	2.079	4	110.0644	1.670	17	109.5569	0.552	227	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|S<2>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.9796	1.261	8	110.0644	1.670	17	109.5569	0.552	227	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|N<2>}	H(C[6]C[6]N[6]H)	109.9190	0.000	1	110.0644	1.670	17	109.5569	0.552	227	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.6148	0.061	4	110.0644	1.670	17	109.5569	0.552	227	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]S)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]S)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	110.3685	3.540	2	110.3685	12.535	2	109.5569	0.552	227	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6a]C)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>}	C[6](N[6]C[6,6a]C)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	110.4380	3.239	2	109.8722	2.312	8	109.5569	0.552	227	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6a]C)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>}	H(C[6]C[6]N[6]H)	110.7280	1.237	2	109.8722	2.312	8	109.5569	0.552	227	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6a]C)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.1615	0.114	4	109.8722	2.312	8	109.5569	0.552	227	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.7964	0.345	13	109.7964	0.119	13	109.5569	0.552	227	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]P[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6]P[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]P[6])(C[6]N[6]HH)(H)2{1|C<4>,1|O<1>,1|P<4>,2|H<1>,2|O<2>}	C[6](N[6]C[6]P[6])(C[6]N[6]HH)(H)2{1|C<4>,1|O<1>,1|P<4>,2|H<1>,2|O<2>}	H(C[6]C[6]N[6]H)	109.6300	0.145	4	109.6810	0.015	8	109.5569	0.552	227	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]P[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6]P[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]P[6])(C[6]N[6]HH)(H)2{1|C<4>,1|P<4>,1|S<1>,2|H<1>,2|O<2>}	C[6](N[6]C[6]P[6])(C[6]N[6]HH)(H)2{1|C<4>,1|P<4>,1|S<1>,2|H<1>,2|O<2>}	H(C[6]C[6]N[6]H)	109.7320	0.084	4	109.6810	0.015	8	109.5569	0.552	227	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|B<3>,1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.0598	0.036	4	109.2868	0.042	10	109.5569	0.552	227	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|B<3>,1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.3390	0.006	2	109.2868	0.042	10	109.5569	0.552	227	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2{1|C<4>,1|S<2>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|B<3>,1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.4730	0.021	2	109.2868	0.042	10	109.5569	0.552	227	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2{1|O<2>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|B<3>,1|B<4>,3|C<3>}	H(C[6]C[6]N[6]H)	109.5025	0.030	2	109.2868	0.042	10	109.5569	0.552	227	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|N<2>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	H(C[6]C[6]N[6]H)	109.5460	0.004	2	109.9037	1.950	18	109.5569	0.552	227	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|S<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2535	1.713	4	109.9037	1.950	18	109.5569	0.552	227	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|S<2>,2|H<1>}	H(C[6]C[6]N[6]H)	110.7261	1.431	8	109.9037	1.950	18	109.5569	0.552	227	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.0880	0.053	4	109.9037	1.950	18	109.5569	0.552	227	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]S)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6]S)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.6180	1.943	2	109.6180	3.776	2	109.5569	0.552	227	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|B<3>,1|B<4>,3|C<3>}	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2{1|O<2>,4|C<3>}	H(C[6]C[6]N[6]H)	109.5505	0.036	2	109.4277	0.005	9	109.5569	0.552	227	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|B<3>,1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]C[6]N[6]H)	109.3990	0.008	3	109.4277	0.005	9	109.5569	0.552	227	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|B<3>,1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>}	H(C[6]C[6]N[6]H)	109.3730	0.006	2	109.4277	0.005	9	109.5569	0.552	227	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|B<3>,1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2{1|C<4>,1|S<2>,3|C<3>}	H(C[6]C[6]N[6]H)	109.4025	0.018	2	109.4277	0.005	9	109.5569	0.552	227	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4140	0.107	7	109.4332	0.118	114	109.5569	0.552	227	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.1844	0.407	17	109.4332	0.118	114	109.5569	0.552	227	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2812	0.469	19	109.4332	0.118	114	109.5569	0.552	227	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.5353	0.250	71	109.4332	0.118	114	109.5569	0.552	227	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]N[5a,6]H)(C[6]N[6]HH)(H)2	C[6](N[6]C[5a,6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]N[5a,6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>}	C[6](N[6]C[5a,6]H)(C[6]N[6]HH)(H)2{1|H<1>,1|N<2>,1|N<3>}	H(C[6]C[6]N[6]H)	109.0655	0.012	2	109.0655	0.000	2	109.5569	0.552	227	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:1:1:	4:	P[6]-3:C[6]-4:H-1:H-1:	P[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6]C[6a]C[6])(C[6]P[6]HH)(H)2	C[6](P[6]C[6a]C[6])(C[6]P[6]HH)(H)2	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]C[6])(C[6]P[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](P[6]C[6a]C[6])(C[6]P[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]P[6]H)	108.6317	0.569	4	108.6317	0.324	4	108.6317	0.324	4	109.5669	0.508	2828	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:2:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]HO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(OH)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]HO)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(OH)(H){1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	109.9045	0.011	2	109.9045	0.000	2	109.9045	0.000	2	109.5372	0.709	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:2:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[5a]O[6]H)(H)2	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]HH)(O[6]C[6])(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[5a]O[6]H)(H)2{1|C<4>,4|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]HH)(O[6]C[6])(H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.7050	0.023	2	109.7050	0.001	2	109.7050	0.001	2	109.5372	0.709	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:2:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HO)(H)2{1|O<1>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.3670	2.065	2	108.3670	4.263	2	108.3670	4.263	2	109.5372	0.709	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:2:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HO)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(OC)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HO)(H)2{1|O<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(OC)(H){1|O<1>,4|C<3>}	H(C[6]N[5,6]C[6]H)	109.8748	0.061	4	109.8748	0.004	4	109.8748	0.004	4	109.5372	0.709	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:2:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]H)(C[6]N[6]HH)(OH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]N[6]HH)(OH)(H){1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.4970	0.040	2	109.4970	0.002	2	109.4970	0.002	2	109.5372	0.709	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:3:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[5a,6]CH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(COO)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[5a,6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(COO)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[5,6]C[6]H)	109.2660	0.004	2	109.2660	0.000	2	109.2660	0.000	2	109.2481	0.951	58	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:3:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6,6a]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CCH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6,6a]CH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CCH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	108.9090	1.157	2	108.9090	1.338	2	108.9090	1.338	2	109.2481	0.951	58	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:3:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6,6]CH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(COO)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6,6]CH)(H)2{1|C<4>,1|N<2>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(COO)(H){1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.2705	5.283	2	109.2705	27.908	2	109.2705	27.908	2	109.2481	0.951	58	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:3:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6a]N[6]H)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6a]N[6]H)(H)2{2|C<4>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	H(C[6]C[5,6]C[6]H)	109.7905	0.021	2	109.7905	0.000	2	109.7905	0.000	2	109.2481	0.951	58	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:3:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(COO)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]CH)(H)2{1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(COO)(H){1|N<3>,1|O<2>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	110.0850	0.007	2	110.0850	0.000	2	110.0850	0.000	2	109.2481	0.951	58	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:3:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]CH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(COO)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(COO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	109.5935	0.011	2	109.5935	0.000	2	109.5935	0.000	2	109.2481	0.951	58	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:3:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]CH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(COO)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(COO)(H){1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[5a,6]C[6]H)	106.7540	2.135	2	106.7540	4.560	2	106.7540	4.560	2	109.2481	0.951	58	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:3:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]N[5a,6]CH)(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(COO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]N[5a,6]CH)(H)2{1|C<4>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(COO)(H){1|N<2>,4|C<3>}	H(C[6]C[6,6]C[6]H)	108.1500	0.020	2	108.1500	0.000	2	108.1500	0.000	2	109.2481	0.951	58	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(H)2	C[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]HH)(N[6]C[6]H)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(H)2{1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]HH)(N[6]C[6]H)(H){1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2510	0.008	2	109.3670	0.050	12	109.3670	0.050	12	109.2481	0.951	58	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(H)2	C[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]HH)(N[6]C[6]H)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(H)2{1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]HH)(N[6]C[6]H)(H){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3902	0.241	10	109.3670	0.050	12	109.3670	0.050	12	109.2481	0.951	58	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6,6]HN)(H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6a]HH)(NCH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6,6]HN)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6a]HH)(NCH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1335	0.080	8	109.1335	0.006	8	109.1335	0.006	8	109.2481	0.951	58	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H)2{1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5590	0.008	2	109.5590	0.000	2	109.1307	0.111	6	109.2481	0.951	58	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H)2{1|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9165	0.040	4	108.9165	0.002	4	109.1307	0.111	6	109.2481	0.951	58	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H)2{1|H<1>,6|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H){1|Rh<6>,1|N<3>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4267	0.110	6	109.4267	0.012	6	109.4267	0.012	6	109.2481	0.951	58	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:3:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]N[6]CH)(H)2	C[6](N[6]C[6,6]N)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>}	C[6](N[6]C[6,6]N)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7210	0.018	2	109.7210	0.000	2	109.7210	0.000	2	109.2481	0.951	58	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:3:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CNO)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CNO)(H){1|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.5895	0.125	4	109.5895	0.016	4	109.5895	0.016	4	109.2481	0.951	58	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:3:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](N[6]C[6,6]S)(C[6]N[6]CH)(H)2	C[6](N[6]N[6,6]C)(C[6]N[6]HH)(CCC)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]S)(C[6]N[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]N[6,6]C)(C[6]N[6]HH)(CCC)(H){1|S<4>,2|C<4>}	H(C[6]C[6]N[6]H)	109.5343	0.061	4	109.5343	0.004	4	109.5343	0.004	4	109.2481	0.951	58	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:3:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]CO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(COO)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]CO)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(COO)(OH){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.9488	0.121	4	109.9488	0.015	4	109.9488	0.015	4	109.9488	0.015	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:3:3:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(COO)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(COO)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3905	0.006	2	109.3905	0.000	2	109.3905	0.000	2	109.6260	0.073	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:3:3:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(COO)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(COO)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.9165	0.015	2	109.9165	0.000	2	109.9165	0.000	2	109.6260	0.073	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:3:3:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6a]2)(H)2{9|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5160	0.000	1	109.5160	0.000	1	109.5160	0.000	1	109.6260	0.073	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]CH)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]CH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(CH3)(H){5|C<3>}	H(C[6]C[5,6]C[6]H)	109.3685	0.006	2	109.3685	0.000	2	109.3685	0.000	2	109.1583	0.369	95	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:Si-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]SiH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(SiC3)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]SiH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(SiC3)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	109.4555	0.011	2	109.4555	0.000	2	109.4555	0.000	2	109.1583	0.369	95	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]CH)(H)2	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[5a,6]HH)(CHHO)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[5a,6]HH)(CHHO)(H){1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[5a,6]C[6]H)	109.1915	0.252	2	109.1915	0.064	2	109.4936	0.093	5	109.1583	0.369	95	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]CH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(CHHO)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(CHHO)(H){1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[5a,6]C[6]H)	109.6950	0.054	3	109.6950	0.003	3	109.4936	0.093	5	109.1583	0.369	95	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]CH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	109.6114	0.473	7	109.5214	0.107	15	109.5214	0.107	15	109.1583	0.369	95	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]CH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]CH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	109.4426	0.090	8	109.5214	0.107	15	109.5214	0.107	15	109.1583	0.369	95	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]N[5a]C[6]H)(H)2	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]N[5a]C[6]H)(H)2{1|C<3>,1|N<2>,3|H<1>,4|C<4>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.6825	0.074	4	109.6825	0.006	4	109.6825	0.006	4	109.1583	0.369	95	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:1:	4:	C[6,6a]-3:C[6]-4:Cl-1:H-1:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a]C[6]H)(Cl)(H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6a]ClH)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]C[6]Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a]C[6]H)(Cl)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6a]ClH)(C[6]C[6]HH)(H){1|N<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]Cl)	107.9200	0.000	1	107.9200	0.000	1	107.9200	0.000	1	109.1583	0.369	95	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:Si-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]SiH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(SiC3)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]SiH)(H)2{1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(SiC3)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.6900	0.007	2	108.6900	0.000	2	108.6900	0.000	2	109.1583	0.369	95	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(H)2	C[6](C[5]C[5,6a]C[5])(C[6]C[6,6a]HH)(C[6]C[6]HW)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(H)2{1|C<4>,1|W<7>,2|H<1>,4|C<3>}	C[6](C[5]C[5,6a]C[5])(C[6]C[6,6a]HH)(C[6]C[6]HW)(H){1|N<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1675	0.046	2	109.1675	0.002	2	109.1675	0.002	2	109.1583	0.369	95	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CCHH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CCHH)(H){1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2313	0.066	4	109.3827	0.058	6	109.3827	0.058	6	109.1583	0.369	95	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CCHH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CCHH)(H){1|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6855	0.016	2	109.3827	0.058	6	109.3827	0.058	6	109.1583	0.369	95	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]HH)(C[6]C[6]CO)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|H<1>,1|O<2>,6|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]HH)(C[6]C[6]CO)(H){1|H<1>,1|O<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1080	0.000	1	109.1080	0.000	1	108.9927	0.011	3	109.1583	0.369	95	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9350	0.035	2	108.9350	0.001	2	108.9927	0.011	3	109.1583	0.369	95	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CCCH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2{1|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CCCH)(H){1|Cl<1>,1|N<3>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9642	0.037	4	108.9642	0.001	4	108.6771	0.455	14	109.1583	0.369	95	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CC[6a]2O)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2{1|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CC[6a]2O)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.1360	0.014	2	108.1360	0.000	2	108.6771	0.455	14	109.1583	0.369	95	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CHHO)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CHHO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	108.7540	0.000	1	108.8892	0.072	6	108.6771	0.455	14	109.1583	0.369	95	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CHHO)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CHHO)(H){1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	108.9162	0.290	5	108.8892	0.072	6	108.6771	0.455	14	109.1583	0.369	95	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(CCHH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(CCHH)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.0075	1.862	2	108.0075	3.466	2	108.6771	0.455	14	109.1583	0.369	95	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]CH)(H)2	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6,6a]HH)(CHHO)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6,6a]HH)(CHHO)(H){1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	109.3575	0.025	2	109.3575	0.001	2	109.3223	0.004	3	109.1583	0.369	95	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]CH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(CHHO)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(CHHO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	109.2520	0.000	1	109.2520	0.000	1	109.3223	0.004	3	109.1583	0.369	95	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]O)(C[6]C[6]CH)(H)2{1|O<1>,3|C<4>}	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	107.5890	0.167	2	107.5890	0.028	2	108.1934	0.137	10	109.1583	0.369	95	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(H)2{1|O<1>,2|N<3>}	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>}	H(C[6]C[6]2H)	108.3750	0.075	2	108.3750	0.006	2	108.1934	0.137	10	109.1583	0.369	95	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CF3)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2{3|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CF3)(H){1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.3350	0.011	2	108.2030	0.025	4	108.1934	0.137	10	109.1583	0.369	95	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CF3)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2{3|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CF3)(H){1|N<3>,1|O<1>,1|S<2>}	H(C[6]C[6]2H)	108.0710	0.064	2	108.2030	0.025	4	108.1934	0.137	10	109.1583	0.369	95	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.5970	0.049	2	108.5970	0.002	2	108.1934	0.137	10	109.1583	0.369	95	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[4,6]O)(C[6]N[6]CH)(H)2	C[6](N[6]C[4,6,6]C)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]O)(C[6]N[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[4,6,6]C)(C[6]C[6]HH)(CCHH)(H){1|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.9230	1.010	2	109.9230	1.020	2	109.4602	0.294	10	109.1583	0.369	95	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]N[6]CH)(H)2	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,1|S<4>}	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6993	0.084	4	109.6993	0.007	4	109.4602	0.294	10	109.1583	0.369	95	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]N[6]CH)(H)2	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	109.1185	0.011	2	109.1185	0.000	2	109.4602	0.294	10	109.1583	0.369	95	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]N[6]CH)(H)2	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]N[6]CH)(H)2{1|H<1>,2|C<4>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.8610	0.025	2	108.8610	0.001	2	109.4602	0.294	10	109.1583	0.369	95	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]CH)(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(CCHH)(H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]CH)(H)2{5|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(CCHH)(H){1|N<2>,4|C<3>}	H(C[6]N[5a,6]C[6]H)	109.6195	0.033	2	109.6195	0.001	2	109.6195	0.001	2	109.1583	0.369	95	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]CH)(H)2	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(CCHH)(H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]CH)(H)2{5|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(CCHH)(H){1|N<2>,1|O<1>,3|C<3>}	H(C[6]N[5a,6]C[6]H)	109.7500	0.000	1	109.7500	0.000	1	109.7500	0.000	1	109.1583	0.369	95	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CHHO)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CHHO)(H){1|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.5550	0.079	2	109.5550	0.006	2	109.4457	0.039	3	109.1583	0.369	95	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[6,6]S)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CC[6a]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]S)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6]H)	109.2270	0.000	1	109.2270	0.000	1	109.4457	0.039	3	109.1583	0.369	95	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]N[6]CH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	H(C[6]C[6]N[6]H)	109.7105	0.008	2	109.7105	0.000	2	109.6197	0.014	6	109.1583	0.369	95	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]N[6]CH)(H)2	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(CSiHH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(CSiHH)(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.6775	0.013	2	109.6775	0.000	2	109.6197	0.014	6	109.1583	0.369	95	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]N[6]CH)(H)2	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(CCHH)(H){1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.4710	0.008	2	109.4710	0.000	2	109.6197	0.014	6	109.1583	0.369	95	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:1:	4:	Se[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](Se[6]C[6,6a]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]O)(C[6]Se[6]HH)(CC[6a]HO)(H)	H(C[6]Se[6]C[6]H)	C[6](Se[6]C[6,6a]C)(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]Se[6]HH)(CC[6a]HO)(H){1|C<4>,2|C<3>}	H(C[6]Se[6]C[6]H)	108.8588	0.133	4	108.8588	0.018	4	108.8588	0.018	4	109.1583	0.369	95	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:2:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2	C[6](C[6a]C[5a,6a]N[6a])(C[6]C[6,6a]HH)(C[6]C[6]HH)(CN)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>,3|N<2>}	C[6](C[6a]C[5a,6a]N[6a])(C[6]C[6,6a]HH)(C[6]C[6]HH)(CN){2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5090	0.024	2	109.5090	0.001	2	109.5090	0.001	2	109.5090	0.001	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.5725	0.029	2	109.5725	0.001	2	109.7013	0.050	3	109.7013	0.050	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C)(C[6]C[6]CC)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(COO){3|C<3>}	H(C[6]C[6]2H)	109.9590	0.000	1	109.9590	0.000	1	109.7013	0.050	3	109.7013	0.050	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9580	0.000	1	108.9580	0.000	1	108.9580	0.000	1	108.6460	0.252	23	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CC)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CH3)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CC)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CH3)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7927	0.058	4	108.7927	0.003	4	108.9647	0.073	6	108.6460	0.252	23	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CC)(H)2	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(CH3)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CC)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(CH3)2{6|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3085	0.008	2	109.3085	0.000	2	108.9647	0.073	6	108.6460	0.252	23	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	108.9480	0.008	2	108.9480	0.000	2	108.5671	0.275	12	108.6460	0.252	23	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.5710	0.045	2	108.9847	0.229	4	108.5671	0.275	12	108.6460	0.252	23	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.3985	0.008	2	108.9847	0.229	4	108.5671	0.275	12	108.6460	0.252	23	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CHHS)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2{3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CHHS)(CH3){1|O<1>,2|C<3>}	H(C[6]C[6]2H)	108.0018	0.130	4	108.0018	0.017	4	108.5671	0.275	12	108.6460	0.252	23	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]CC)(H)2{1|O<1>,2|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CH3)2{1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.4815	0.030	2	108.4815	0.001	2	108.5671	0.275	12	108.6460	0.252	23	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]N[6]CC)(H)2	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]N[6]CC)(H)2{1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	108.8085	0.194	2	108.8085	0.038	2	108.8085	0.038	2	108.6460	0.252	23	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	3:4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]CC)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(CH3)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]CC)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(CH3)2{1|N<3>,2|C<3>,2|C<4>}	H(C[6]N[6,6]C[6]H)	107.8445	0.015	2	107.8445	0.000	2	107.8445	0.000	2	108.6460	0.252	23	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	C[3x6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[4x6])(C[6]O[6]HH)(H)2	C[6](C[6]C[3x6]HH)(O[6]C[6])(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[4x6])(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[3x6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[3x6]C[6]H)	109.7240	0.010	2	109.9017	0.042	4	109.9017	0.042	4	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	C[3x6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[4x6])(C[6]O[6]HH)(H)2	C[6](C[6]C[3x6]HH)(O[6]C[6])(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[4x6])(C[6]O[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[3x6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[3x6]C[6]H)	110.0795	0.022	2	109.9017	0.042	4	109.9017	0.042	4	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]HH)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[5,6]C[6]H)	109.6385	0.008	2	109.6385	0.000	2	109.6385	0.000	2	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6])(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6])(H)2{1|C<4>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	110.0990	0.016	2	109.6834	0.318	8	109.6834	0.318	8	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6])(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6])(H)2{3|C<3>}	H(C[6]C[5a,6]C[6]H)	109.5448	0.594	6	109.6834	0.318	8	109.6834	0.318	8	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>}	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2{1|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	110.1930	0.071	2	110.1930	0.005	2	109.9200	0.187	12	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(H)2{1|S<2>,2|C<3>}	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2{1|C<3>,1|N<2>,1|O<1>}	H(C[6]C[5a,6]C[6]H)	110.3530	0.016	2	110.3530	0.000	2	109.9200	0.187	12	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2{1|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	110.1680	0.040	2	110.1407	0.002	4	109.9200	0.187	12	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(H)2{1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	110.1135	0.022	2	110.1407	0.002	4	109.9200	0.187	12	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]O[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2{1|N<3>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	109.3462	0.057	4	109.3462	0.003	4	109.9200	0.187	12	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]S[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(S[6]C[6,6a])(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]S[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]HH)(S[6]C[6,6a])(H)2{1|N<2>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	109.6385	0.016	2	109.6385	0.000	2	109.1749	0.089	8	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]S[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(S[6]C[6])(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]S[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>}	C[6](C[6]C[5a,6]HH)(S[6]C[6])(H)2{2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.0203	0.100	6	109.0203	0.010	6	109.1749	0.089	8	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6])(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6])(C[6]O[6]HH)(H)2{2|C<3>,3|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.3895	0.006	2	109.3895	0.000	2	109.3569	0.176	16	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6])(C[6]O[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.1135	0.555	4	109.1135	0.308	4	109.3569	0.176	16	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.6710	0.040	2	109.6710	0.002	2	109.3569	0.176	16	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]O[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.7050	0.027	2	109.7050	0.001	2	109.3569	0.176	16	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]O[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.8575	0.012	2	109.8575	0.000	2	109.3569	0.176	16	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6]HH)(O[6]B[6])(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]HH)(H)2{1|B<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]HH)(O[6]B[6])(H)2{1|N<3>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.0025	0.114	4	109.0025	0.013	4	109.3569	0.176	16	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6])(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6])(H)2{1|C<4>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5255	0.008	2	110.0096	0.400	8	109.9708	0.317	10	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6])(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6])(H)2{1|S<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.9890	0.041	2	110.0096	0.400	8	109.9708	0.317	10	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6])(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6])(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	110.2620	0.831	4	110.0096	0.400	8	109.9708	0.317	10	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6])(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(H)2{4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6])(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8155	0.019	2	109.8155	0.000	2	109.9708	0.317	10	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(O[6]C[6,6])(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]HH)(O[6]C[6,6])(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9955	0.172	6	108.9955	0.030	6	109.3601	0.116	42	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(O[6]C[6,6a])(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]O[6]HH)(H)2{3|C<3>}	C[6](C[6]C[6,6a]HH)(O[6]C[6,6a])(H)2{1|N<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2020	0.020	2	109.2020	0.000	2	109.3601	0.116	42	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3895	0.013	2	109.4338	0.108	34	109.3601	0.116	42	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4030	0.000	1	109.4338	0.108	34	109.3601	0.116	42	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2974	0.541	8	109.4338	0.108	34	109.3601	0.116	42	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2{1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4900	0.031	13	109.4338	0.108	34	109.3601	0.116	42	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3830	0.016	2	109.4338	0.108	34	109.3601	0.116	42	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1993	0.349	4	109.4338	0.108	34	109.3601	0.116	42	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	110.0080	0.016	2	109.4338	0.108	34	109.3601	0.116	42	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{4|C<3>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6195	0.033	2	109.4338	0.108	34	109.3601	0.116	42	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]S[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(S[6]C[6])(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]S[6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[6,6a]HH)(S[6]C[6])(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	107.9965	0.042	2	107.9965	0.002	2	108.4985	0.337	4	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]S[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(S[6]C[6])(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]S[6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[6,6a]HH)(S[6]C[6])(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0005	0.015	2	109.0005	0.000	2	108.4985	0.337	4	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	C[6]-3:C[6]-4:Br-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(O[6]C[6,6a])(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(Br)(H){2|C<3>}	C[6](C[6]C[6]BrH)(O[6]C[6,6a])(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2Br)	109.4630	0.000	1	109.4630	0.000	1	109.4630	0.000	1	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[4,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]H)(C[6]O[6]HH)(H)2{2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[4,6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.1497	1.424	6	110.1497	2.029	6	109.7879	1.084	12	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]O[6]HH)(H)2{2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6200	0.021	2	109.6200	0.000	2	109.7879	1.084	12	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.4770	0.113	2	109.3293	0.033	4	109.7879	1.084	12	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.1815	0.018	2	109.3293	0.033	4	109.7879	1.084	12	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[3,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[3,6]C[3,6]C[3])(C[6]O[6]HH)(H)2	C[6](C[6]N[3,6]HH)(O[6]C[6])(H)2	H(C[6]N[3,6]C[6]H)	C[6](N[3,6]C[3,6]C[3])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[3,6]HH)(O[6]C[6])(H)2{1|O<2>,3|C<4>}	H(C[6]N[3,6]C[6]H)	109.1532	0.151	4	109.1532	0.023	4	109.1532	0.023	4	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[6]HH)(H)2	C[6](C[6]N[5,6]HH)(N[6]C[6,6])(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[5,6]HH)(N[6]C[6,6])(H)2{1|C<3>,2|C<4>}	H(C[6]N[5,6]C[6]H)	109.0680	0.006	2	109.0680	0.000	2	110.2512	4.204	4	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2	C[6](C[6]N[5,6]HH)(N[6]C[6])(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[5,6]HH)(N[6]C[6])(H)2{1|C<3>,2|C<4>}	H(C[6]N[5,6]C[6]H)	111.4345	2.648	2	111.4345	7.013	2	110.2512	4.204	4	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(H)2	C[6](C[6]N[5,6]HH)(O[6]Ga[6])(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(H)2{1|Ga<4>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[5,6]HH)(O[6]Ga[6])(H)2{1|C<3>,3|C<4>}	H(C[6]N[5,6]C[6]H)	108.8985	0.018	2	108.8985	0.000	2	109.8148	1.120	4	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6]O[6]HH)(H)2	C[6](C[6]N[5,6]HH)(O[6]C[6])(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]N[5])(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[5,6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]N[5,6]C[6]H)	110.7310	0.037	2	110.7310	0.001	2	109.8148	1.120	4	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(N[6]C[6])(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2{4|C<3>}	C[6](C[6]N[5a,6]HH)(N[6]C[6])(H)2{3|C<3>}	H(C[6]N[5a,6]C[6]H)	110.1610	0.014	2	110.1610	0.000	2	110.1610	0.000	2	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6,6a]N[5a])(C[6]O[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(O[6]C[6,6a])(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6,6a]N[5a])(C[6]O[6]HH)(H)2{3|C<3>}	C[6](C[6]N[5a,6]HH)(O[6]C[6,6a])(H)2{1|N<2>,2|C<3>}	H(C[6]N[5a,6]C[6]H)	110.2850	0.024	2	110.2850	0.001	2	110.3850	0.080	10	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]2)(C[6]O[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(O[6]C[6])(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]2)(C[6]O[6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[6]N[5a,6]HH)(O[6]C[6])(H)2{2|C<3>,2|H<1>}	H(C[6]N[5a,6]C[6]H)	110.7795	0.497	2	110.7795	0.247	2	110.3850	0.080	10	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(O[6]C[6])(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(H)2{1|N<2>,2|C<3>}	C[6](C[6]N[5a,6]HH)(O[6]C[6])(H)2{1|C<3>,1|N<2>,1|O<1>}	H(C[6]N[5a,6]C[6]H)	110.3025	0.032	2	110.3025	0.001	2	110.3850	0.080	10	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(O[6]C[6])(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>}	C[6](C[6]N[5a,6]HH)(O[6]C[6])(H)2{2|C<3>,2|H<1>}	H(C[6]N[5a,6]C[6]H)	110.1350	0.011	2	110.2790	0.028	4	110.3850	0.080	10	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(O[6]C[6])(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(H)2{4|C<3>}	C[6](C[6]N[5a,6]HH)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	H(C[6]N[5a,6]C[6]H)	110.4230	0.010	2	110.2790	0.028	4	110.3850	0.080	10	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]N[6,6]HH)(N[6]C[6])(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6,6]HH)(N[6]C[6])(H)2{1|C<3>,2|C<4>}	H(C[6]N[6,6]C[6]H)	108.1810	1.030	2	108.1810	1.060	2	108.1810	1.060	2	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]N[6,6]HH)(O[6]C[6])(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]N[6,6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	109.8560	0.010	2	109.8560	0.000	2	109.7475	0.131	21	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]N[6])(C[6]O[6]HH)(H)2	C[6](C[6]N[6,6]HH)(O[6]C[6])(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]N[6])(C[6]O[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6,6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]N[6,6]C[6]H)	109.9683	0.047	8	109.9683	0.002	8	109.7475	0.131	21	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]S[6])(C[6]O[6]HH)(H)2	C[6](C[6]N[6,6]HH)(O[6]C[6])(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]S[6])(C[6]O[6]HH)(H)2{1|H<1>,1|N<2>,2|C<4>,2|O<1>}	C[6](C[6]N[6,6]HH)(O[6]C[6])(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	109.8865	0.180	4	109.8865	0.032	4	109.7475	0.131	21	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]O[6]HH)(H)2	C[6](C[6]N[6,6]HH)(O[6]C[6])(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]O[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]N[6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	109.3849	0.429	7	109.3849	0.184	7	109.7475	0.131	21	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2	C[6](C[6]N[6,6]HH)(S[6]C[6])(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]N[6,6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	109.2619	0.225	8	109.2619	0.051	8	109.2619	0.051	8	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[3,6]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[3,6]C[6])(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.1453	1.542	8	109.1091	1.484	16	109.7348	0.313	854	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[3,6]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[3,6]C[6])(C[6]O[6]HH)(H)2{2|H<1>,4|C<4>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.0730	0.895	8	109.1091	1.484	16	109.7348	0.313	854	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[3]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[3]C[6])(C[6]O[6]HH)(H)2{3|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7043	0.119	8	109.7043	0.014	8	109.7348	0.313	854	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[4]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[4]C[6])(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5539	0.164	14	109.4206	0.230	18	109.7348	0.313	854	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[4]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[4]C[6])(C[6]O[6]HH)(H)2{3|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.9537	0.901	4	109.4206	0.230	18	109.7348	0.313	854	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[4a]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[4a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6598	0.123	4	109.6598	0.015	4	109.7348	0.313	854	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,5,6]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,5,6]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7800	0.306	4	109.7800	0.094	4	109.7348	0.313	854	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6997	0.162	3	109.8074	0.378	73	109.7348	0.313	854	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7848	0.141	8	109.8074	0.378	73	109.7348	0.313	854	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7530	0.064	3	109.8074	0.378	73	109.7348	0.313	854	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8530	0.172	3	109.8074	0.378	73	109.7348	0.313	854	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8430	0.024	7	109.8074	0.378	73	109.7348	0.313	854	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9389	0.078	7	109.8074	0.378	73	109.7348	0.313	854	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7028	2.925	4	109.8074	0.378	73	109.7348	0.313	854	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7683	0.138	11	109.8074	0.378	73	109.7348	0.313	854	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9116	0.174	15	109.8074	0.378	73	109.7348	0.313	854	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6743	0.043	4	109.8074	0.378	73	109.7348	0.313	854	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|Se<2>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6788	0.111	4	109.8074	0.378	73	109.7348	0.313	854	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{3|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7315	0.056	4	109.8074	0.378	73	109.7348	0.313	854	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7700	1.213	30	109.8091	0.702	94	109.7348	0.313	854	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9749	0.889	27	109.8091	0.702	94	109.7348	0.313	854	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7067	0.058	12	109.8091	0.702	94	109.7348	0.313	854	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7542	0.126	13	109.8091	0.702	94	109.7348	0.313	854	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6317	0.225	10	109.8091	0.702	94	109.7348	0.313	854	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	110.0165	0.013	2	109.8091	0.702	94	109.7348	0.313	854	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]N[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.4183	0.315	4	109.4787	0.056	7	109.7348	0.313	854	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>}	C[6](C[6]N[6]HH)(O[6]C[6,6])(H)2{1|N<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.5593	0.034	3	109.4787	0.056	7	109.7348	0.313	854	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C[6])(C[6]O[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8067	0.118	14	109.8067	0.014	14	109.7348	0.313	854	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]N[4])(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]N[4])(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9810	0.072	4	109.9810	0.005	4	109.7348	0.313	854	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]P[4])(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]P[4])(C[6]O[6]HH)(H)2{1|Cu<3>,1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7692	0.157	4	109.7555	0.009	11	109.7348	0.313	854	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]P[4])(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]P[4])(C[6]O[6]HH)(H)2{1|Cu<4>,1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7476	0.055	7	109.7555	0.009	11	109.7348	0.313	854	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]P[6])(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]P[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4825	2.298	8	109.4825	5.280	8	109.7348	0.313	854	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6822	0.425	133	109.7387	0.166	582	109.7348	0.313	854	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]N[6]H)	109.7480	0.015	4	109.7387	0.166	582	109.7348	0.313	854	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8639	0.211	38	109.7387	0.166	582	109.7348	0.313	854	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3662	0.186	6	109.7387	0.166	582	109.7348	0.313	854	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7552	0.450	336	109.7387	0.166	582	109.7348	0.313	854	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>,2|N<2>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7284	0.132	63	109.7387	0.166	582	109.7348	0.313	854	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{2|H<1>,3|C<3>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	109.7820	0.011	2	109.7387	0.166	582	109.7348	0.313	854	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]N[5a]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]N[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	110.2441	0.068	7	110.2441	0.005	7	109.7348	0.313	854	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]N[6a]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]N[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6030	0.752	4	109.6030	0.566	4	109.7348	0.313	854	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]S[6]HH)(H)2	C[6](C[6]N[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]S[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]N[6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2618	0.100	4	109.2954	0.009	7	109.3712	0.010	36	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]S[6]HH)(H)2	C[6](C[6]N[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]S[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,2|H<1>}	C[6](C[6]N[6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3403	0.080	3	109.2954	0.009	7	109.3712	0.010	36	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2	C[6](C[6]N[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]N[6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3190	0.039	4	109.3895	0.009	29	109.3712	0.010	36	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2	C[6](C[6]N[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4008	0.099	25	109.3895	0.009	29	109.3712	0.010	36	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	S[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](S[5,6]C[5,6]C[5])(C[6]S[6]HH)(H)2	C[6](C[6]S[5,6]HH)(S[6]C[6])(H)2	H(C[6]S[5,6]C[6]H)	C[6](S[5,6]C[5,6]C[5])(C[6]S[6]HH)(H)2{1|S<2>,2|C<4>,3|H<1>}	C[6](C[6]S[5,6]HH)(S[6]C[6])(H)2{2|C<4>,2|H<1>}	H(C[6]S[5,6]C[6]H)	109.5180	0.008	2	109.5180	0.000	2	109.5180	0.000	2	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	S[6]-3:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](S[6]B[3x3,3x5,12x6]C[6])(C[6]S[6]HH)(H)2	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	C[6](S[6]B[3x3,3x5,12x6]C[6])(C[6]S[6]HH)(H)2{1|Mo<9>,1|C<4>,1|C<6>,2|H<1>,3|B<6>}	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|B<6>,1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	109.6785	0.083	4	109.6187	0.012	7	109.2659	0.500	9	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	S[6]-3:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](S[6]B[3x3,3x5,12x6]C[6])(C[6]S[6]HH)(H)2	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	C[6](S[6]B[3x3,3x5,12x6]C[6])(C[6]S[6]HH)(H)2{1|Mo<9>,1|C<4>,2|H<1>,4|B<6>}	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|B<6>,1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	109.5390	0.096	3	109.6187	0.012	7	109.2659	0.500	9	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:1:1:	4:	S[6]-3:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](S[6]C[5,6]Cu)(C[6]S[6]HH)(H)2	C[6](C[6]S[6]HH)(S[6]C[5,6])(H)2	H(C[6]C[6]S[6]H)	C[6](S[6]C[5,6]Cu)(C[6]S[6]HH)(H)2{1|C<3>,1|S<2>}	C[6](C[6]S[6]HH)(S[6]C[5,6])(H)2{1|Cu<4>,1|C<3>,1|S<2>}	H(C[6]C[6]S[6]H)	108.0310	0.099	2	108.0310	0.010	2	109.2659	0.500	9	109.6947	0.333	1075	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:2:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HO)(H)2	C[6](C[6]C[6,6a]HH)(O[6]C[6])(OH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HO)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(OH)(H){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3790	0.010	2	109.3790	0.000	2	109.3790	0.000	2	109.2542	0.019	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:2:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]N)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]N)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H){1|H<1>,1|N<2>,2|C<4>}	H(C[6]C[6]2H)	109.0895	0.062	2	109.0895	0.004	2	109.0895	0.004	2	109.2542	0.019	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:2:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HO)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(OH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]N[6]HH)(O[6]C[6])(OH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.2940	0.028	2	109.2940	0.001	2	109.2940	0.001	2	109.2542	0.019	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:3:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:C-3:H-1:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6])(COO)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]CH)(H)2{1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6])(COO)(H){1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[5a,6]C[6]H)	110.1950	0.000	1	110.1950	0.000	1	110.1950	0.000	1	109.6198	0.268	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:3:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]O[6]CH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]O[6]CH)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCC)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.4240	0.011	2	109.4240	0.000	2	109.0217	0.216	4	109.6198	0.268	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:3:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]CH)(H)2	C[6](C[6]C[6,6]HH)(O[6]B[6])(CCH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]CH)(H)2{1|B<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]HH)(O[6]B[6])(CCH)(H){1|C<3>,1|N<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.6195	0.015	2	108.6195	0.000	2	109.0217	0.216	4	109.6198	0.268	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6])(COO)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6])(COO)(H){1|C<4>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	110.1790	0.025	4	109.9747	0.101	6	109.9747	0.101	6	109.6198	0.268	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6])(COO)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6])(COO)(H){1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5660	0.030	2	109.9747	0.101	6	109.9747	0.101	6	109.6198	0.268	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CC[6a]O)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CC[6a]O)(H){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.9840	0.000	1	109.9840	0.000	1	109.4777	0.386	3	109.6198	0.268	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(O[6]C[6])(COO)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(COO)(H){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2245	0.623	2	109.2245	0.388	2	109.4777	0.386	3	109.6198	0.268	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:3:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCH)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	109.7625	0.030	2	109.7625	0.001	2	109.6483	0.018	4	109.6198	0.268	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:3:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]O[6]CH)(H)2{4|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(H){1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.5340	0.006	2	109.5340	0.000	2	109.6483	0.018	4	109.6198	0.268	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:3:3:	4:	C[6]-3:C[6]-4:Cl-1:H-1:	C[6]-4:O[6]-2:C-3:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]O[6]CC)(Cl)(H)	C[6](C[6]C[6]ClH)(O[6]C[6])(CCH)(COO)	H(C[6]C[6]2Cl)	C[6](C[6]C[6a]C[6])(C[6]O[6]CC)(Cl)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6]ClH)(O[6]C[6])(CCH)(COO){1|O<1>,2|C<3>}	H(C[6]C[6]2Cl)	109.3600	0.000	1	109.3600	0.000	1	109.3600	0.000	1	109.3600	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:4:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]CH)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(CHHO)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(CHHO)(H){1|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.7300	3.369	2	109.7300	11.348	2	109.7300	11.348	2	109.5452	0.708	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:4:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(O[6]C[6])(CH3)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]CH)(H)2{1|N<2>,3|C<3>}	C[6](C[6]C[5a,6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[5a,6]C[6]H)	110.0775	0.227	6	110.0775	0.052	6	110.0775	0.052	6	109.5452	0.708	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:4:1:	4:	C[6,6a]-3:C[6]-4:F-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(F)(H)	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6,6a]C[6]F)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(F)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CCHH)(H){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]F)	109.5580	0.000	1	109.5580	0.000	1	109.3703	0.038	3	109.5452	0.708	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:4:1:	4:	C[6,6a]-3:C[6]-4:F-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(F)(H)	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CH3)(H)	H(C[6]C[6,6a]C[6]F)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(F)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]F)	109.1700	0.000	1	109.1700	0.000	1	109.3703	0.038	3	109.5452	0.708	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:4:1:	4:	C[6,6a]-3:C[6]-4:F-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(F)(H)	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CHHO)(H)	H(C[6]C[6,6a]C[6]F)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(F)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CHHO)(H){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]F)	109.3830	0.000	1	109.3830	0.000	1	109.3703	0.038	3	109.5452	0.708	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(O[6]C[6,6])(CCHH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]HH)(O[6]C[6,6])(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8355	1.528	2	108.8355	2.335	2	109.3963	0.153	78	109.5452	0.708	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5000	0.000	1	109.3605	0.021	4	109.3963	0.153	78	109.5452	0.708	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(H)2{4|C<3>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3140	0.136	3	109.3605	0.021	4	109.3963	0.153	78	109.5452	0.708	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCCO)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCCO)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3585	0.271	8	109.3990	0.064	10	109.3963	0.153	78	109.5452	0.708	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCCO)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCCO)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5610	0.038	2	109.3990	0.064	10	109.3963	0.153	78	109.5452	0.708	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCHH)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4070	0.047	2	109.3923	0.001	4	109.3963	0.153	78	109.5452	0.708	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCHH)(H){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3775	0.032	2	109.3923	0.001	4	109.3963	0.153	78	109.5452	0.708	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CC[6]HH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CC[6]HH)(H){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3902	0.104	17	109.3902	0.011	17	109.3963	0.153	78	109.5452	0.708	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.1805	1.356	2	109.4335	0.206	35	109.3963	0.153	78	109.5452	0.708	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4188	0.459	4	109.4335	0.206	35	109.3963	0.153	78	109.5452	0.708	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3090	0.000	1	109.4335	0.206	35	109.3963	0.153	78	109.5452	0.708	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6187	0.045	3	109.4335	0.206	35	109.3963	0.153	78	109.5452	0.708	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5474	0.160	19	109.4335	0.206	35	109.3963	0.153	78	109.5452	0.708	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8500	0.017	2	109.4335	0.206	35	109.3963	0.153	78	109.5452	0.708	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{4|C<3>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2177	0.107	4	109.4335	0.206	35	109.3963	0.153	78	109.5452	0.708	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CHHO)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CHHO)(H){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6805	0.008	4	109.6805	0.000	4	109.3963	0.153	78	109.5452	0.708	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(O[6]S[6])(CH3)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,1|S<4>,2|C<3>}	C[6](C[6]C[6,6a]HH)(O[6]S[6])(CH3)(H){1|N<2>,1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8555	0.063	2	108.8555	0.004	2	109.3963	0.153	78	109.5452	0.708	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H)2{2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCCO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6065	0.026	4	109.6065	0.001	4	110.5919	4.959	8	109.5452	0.708	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]O[6]CH)(H)2{3|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CC3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	113.2365	3.992	2	113.2365	15.933	2	110.5919	4.959	8	109.5452	0.708	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHO)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]O[6]CH)(H)2{2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.9180	0.028	2	109.9180	0.001	2	110.5919	4.959	8	109.5452	0.708	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]S[6]CH)(H)2	C[6](C[6]C[6]HH)(S[6]C[5,6])(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]S[6]CH)(H)2{2|C<4>}	C[6](C[6]C[6]HH)(S[6]C[5,6])(CH3)(H){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	H(C[6]C[6]2H)	108.6430	0.288	4	108.6430	0.083	4	108.6430	0.083	4	109.5452	0.708	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:4:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6]O[6]CH)(H)2	C[6](C[6]N[5,6]HH)(O[6]C[5,6])(CH3)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6]O[6]CH)(H)2{1|C<4>,1|O<2>,3|C<3>}	C[6](C[6]N[5,6]HH)(O[6]C[5,6])(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]N[5,6]C[6]H)	109.6280	0.021	2	109.6280	0.000	2	109.7647	0.022	6	109.5452	0.708	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:4:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]O[6]CH)(H)2	C[6](C[6]N[5,6]HH)(O[6]C[6,6])(CH3)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]O[6]CH)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]N[5,6]HH)(O[6]C[6,6])(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]N[5,6]C[6]H)	109.7205	0.012	2	109.7205	0.000	2	109.7647	0.022	6	109.5452	0.708	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:4:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]CH)(H)2	C[6](C[6]N[5,6]HH)(O[6]B[6])(CC3)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]CH)(H)2{1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[5,6]HH)(O[6]B[6])(CC3)(H){2|C<3>,2|C<4>}	H(C[6]N[5,6]C[6]H)	109.9455	0.030	2	109.9455	0.001	2	109.7647	0.022	6	109.5452	0.708	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:4:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]O[6]CH)(H)2	C[6](C[6]N[6,6]HH)(O[6]C[6])(CH3)(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]O[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]N[6,6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]N[6,6]C[6]H)	109.3880	1.048	2	109.3880	1.098	2	109.3880	1.098	2	109.5452	0.708	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:4:1:	4:	O[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](O[6,6]C[6,6]N[6,6])(C[6]O[6]CH)(H)2	C[6](C[6]O[6,6]HH)(O[6]C[6])(CH3)(H)	H(C[6]O[6,6]C[6]H)	C[6](O[6,6]C[6,6]N[6,6])(C[6]O[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]O[6,6]HH)(O[6]C[6])(CH3)(H){1|H<1>,1|N<3>,2|C<4>}	H(C[6]O[6,6]C[6]H)	109.7540	0.870	2	109.7540	0.756	2	109.7540	0.756	2	109.5452	0.708	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:4:1:	4:	S[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](S[6]C[6a]N[6])(C[6]O[6]CH)(H)2	C[6](C[6]S[6]HH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6a]N[6])(C[6]O[6]CH)(H)2{3|C<3>}	C[6](C[6]S[6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|N<2>,1|O<1>}	H(C[6]C[6]S[6]H)	110.7425	0.015	2	110.7425	0.000	2	110.7425	0.000	2	109.5452	0.708	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:4:2:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CO)(H)2	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(OH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CO)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(OH){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1845	0.008	2	109.1845	0.000	2	109.1845	0.000	2	109.5325	0.162	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:4:2:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]O[6]CO)(H)2	C[6](C[6]N[5,6]HH)(O[6]C[6,6])(CH3)(OH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]O[6]CO)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]N[5,6]HH)(O[6]C[6,6])(CH3)(OH){1|C<4>,1|H<1>,2|C<3>}	H(C[6]N[5,6]C[6]H)	109.8805	0.025	2	109.8805	0.001	2	109.8805	0.001	2	109.5325	0.162	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]O[6]CC)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(CCH){1|O<1>,3|C<4>}	H(C[6]C[6]2H)	107.8675	0.012	2	107.8675	0.000	2	107.8675	0.000	2	107.8675	0.000	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:4:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]O[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]O[6]CC)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)2{1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8420	0.014	2	108.8420	0.000	2	108.8420	0.000	2	108.5382	2.098	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[4,6,6]O)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[4,6,6]O)(C[6]O[6]CC)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	105.3815	0.489	2	105.3815	0.239	2	108.4876	2.460	12	108.5382	2.098	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[4,6]O)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)(O[6]C[4,6])(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]O)(C[6]O[6]CC)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[4,6])(CH3)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.7022	0.121	5	109.7022	0.015	5	108.4876	2.460	12	108.5382	2.098	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6])(C[6]O[6]CC)(H)2{1|B<4>,2|N<3>}	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2{1|C<2>,3|C<3>}	H(C[6]C[6]2H)	108.4540	0.066	4	108.4540	0.004	4	108.4876	2.460	12	108.5382	2.098	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:2:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]O[6]CC)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	108.7610	0.000	1	108.7610	0.000	1	108.4876	2.460	12	108.5382	2.098	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[4,5]C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[4,5]C[5,6])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[5,6]C[6]H)	109.7300	0.020	2	109.7300	0.000	2	109.5780	0.031	4	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6a]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6a]O)(H)2{3|C<3>}	H(C[6]C[5,6]C[6]H)	109.4260	0.023	2	109.4260	0.001	2	109.5780	0.031	4	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]N[6]HH)(H)2{1|C<4>,4|C<3>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.9590	0.006	2	109.9590	0.000	2	110.0062	0.004	4	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	110.0535	0.054	2	110.0535	0.003	2	110.0062	0.004	4	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H)2{1|H<1>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	109.4415	0.021	2	109.4415	0.000	2	109.4381	0.413	23	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6a]N[6])(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|N<2>}	C[6](C[6]C[5a,6]HH)(C[6]C[6a]N[6])(H)2{4|C<3>}	H(C[6]C[5a,6]C[6]H)	109.6660	0.034	2	109.6660	0.001	2	109.4381	0.413	23	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[5a,6]C[6]H)	110.1930	0.004	2	110.1392	0.038	6	109.4381	0.413	23	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|N<2>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[6]C[5a,6]C[6]H)	110.1123	0.245	4	110.1392	0.038	6	109.4381	0.413	23	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6a]C[6])(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|N<2>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6a]C[6])(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	108.7545	0.018	2	108.7545	0.000	2	109.4381	0.413	23	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]N[6]O)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|N<3>}	C[6](C[6]C[5a,6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[6]C[5a,6]C[6]H)	110.3280	0.023	2	110.3280	0.001	2	109.4381	0.413	23	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|N<3>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	108.8734	0.235	9	108.8734	0.055	9	109.4381	0.413	23	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2{1|C<2>,1|C<3>,1|S<2>,2|C<4>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.3995	0.071	2	109.5747	0.046	16	109.8343	0.276	119	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	109.8918	0.127	4	109.5747	0.046	16	109.8343	0.276	119	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2{1|S<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.4829	0.101	10	109.5747	0.046	16	109.8343	0.276	119	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6a]C[6])(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2{1|N<2>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6a]C[6])(H)2{1|O<1>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	110.2050	0.020	2	110.2050	0.000	2	109.8343	0.276	119	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	108.3170	1.076	2	109.8464	1.653	12	109.8343	0.276	119	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	110.3985	0.025	2	109.8464	1.653	12	109.8343	0.276	119	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7695	0.030	2	109.8464	1.653	12	109.8343	0.276	119	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	110.9435	0.774	4	109.8464	1.653	12	109.8343	0.276	119	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{2|C<4>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	108.7065	1.585	2	109.8464	1.653	12	109.8343	0.276	119	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,1|S<4>,2|C<4>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	110.1335	0.009	2	110.0747	0.017	7	109.8343	0.276	119	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	109.9420	0.053	3	110.0747	0.017	7	109.8343	0.276	119	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	110.2150	0.007	2	110.0747	0.017	7	109.8343	0.276	119	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	110.0783	0.099	7	110.0541	0.009	21	109.8343	0.276	119	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	110.0421	0.096	14	110.0541	0.009	21	109.8343	0.276	119	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.9555	0.058	4	109.9555	0.003	4	109.8343	0.276	119	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	110.2285	0.135	4	109.7905	0.222	37	109.8343	0.276	119	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<4>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	109.7442	0.623	6	109.7905	0.222	37	109.8343	0.276	119	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	108.7300	1.558	2	109.7905	0.222	37	109.8343	0.276	119	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	109.9980	0.000	1	109.7905	0.222	37	109.8343	0.276	119	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|S<2>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6335	0.005	2	109.7905	0.222	37	109.8343	0.276	119	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	110.0710	0.083	4	109.7905	0.222	37	109.8343	0.276	119	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	109.8670	0.000	1	109.7905	0.222	37	109.8343	0.276	119	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|N<3>,4|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	109.8497	0.017	3	109.7905	0.222	37	109.8343	0.276	119	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|N<3>,4|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{3|C<3>}	H(C[6]C[5a,6]C[6]H)	109.7785	0.005	2	109.7905	0.222	37	109.8343	0.276	119	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|S<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7407	0.084	12	109.7905	0.222	37	109.8343	0.276	119	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2{1|C<4>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	109.8595	0.069	2	109.6362	0.189	10	109.8343	0.276	119	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2{1|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	109.8905	0.019	2	109.6362	0.189	10	109.8343	0.276	119	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2{2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	110.0910	0.007	2	109.6362	0.189	10	109.8343	0.276	119	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2{1|C<4>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	109.1700	0.250	4	109.6362	0.189	10	109.8343	0.276	119	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(H)2{1|C<4>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	109.9165	0.151	4	109.9165	0.023	4	109.8343	0.276	119	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2{2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	110.0985	0.022	2	110.0985	0.000	2	109.8343	0.276	119	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6a]C[6])(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	109.5625	0.036	2	109.5625	0.001	2	109.8343	0.276	119	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[5a,6]C[6]H)	109.7205	0.018	2	109.7205	0.000	2	109.8343	0.276	119	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2{1|O<1>,2|N<3>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6,6]C[6]H)	109.4110	0.000	1	109.4110	0.000	1	109.3419	0.190	16	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.6450	0.061	2	108.6450	0.004	2	109.3419	0.190	16	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	108.9490	0.000	1	108.9000	0.002	3	109.3419	0.190	16	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|O<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8755	0.006	2	108.9000	0.002	3	109.3419	0.190	16	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]2)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]2)(H)2{1|C<4>,1|N<3>,1|N<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.6418	0.392	4	109.6495	0.072	8	109.3419	0.190	16	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]2)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]2)(H)2{1|C<4>,2|N<3>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.6573	0.121	4	109.6495	0.072	8	109.3419	0.190	16	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.4365	0.005	2	109.4365	0.000	2	109.3419	0.190	16	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3095	0.015	2	109.3095	0.000	2	110.0626	1.618	9	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	111.8800	2.031	2	111.8800	4.124	2	110.0626	1.618	9	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2{1|S<4>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2810	0.000	1	109.2810	0.000	1	110.0626	1.618	9	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.7258	0.072	4	109.7258	0.005	4	110.0626	1.618	9	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6,6]C[6,6]2)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6,6]C[6,6]2)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	109.1633	0.085	4	109.2910	0.045	6	109.2910	0.045	6	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6,6]C[6,6]2)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6,6]C[6,6]2)(H)2{2|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5465	0.098	2	109.2910	0.045	6	109.2910	0.045	6	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[5,6]O)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]N[5,6]O)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3190	0.000	1	109.3190	0.000	1	109.3434	0.296	196	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]O)(H)2{1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1910	0.072	2	109.1910	0.005	2	109.3434	0.296	196	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6,6a]O)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6,6a]O)(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	110.3060	0.607	2	110.3060	0.368	2	109.3434	0.296	196	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1040	0.021	2	109.1040	0.000	2	109.3434	0.296	196	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(H)2{2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6310	0.049	2	109.8502	0.018	9	109.3434	0.296	196	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(H)2{2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.9129	0.050	7	109.8502	0.018	9	109.3434	0.296	196	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[5,6,6]C)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[5,6,6]C)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3330	0.010	2	109.3330	0.000	2	109.3434	0.296	196	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]O)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	109.4112	0.011	4	109.7265	1.061	6	109.3434	0.296	196	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]O)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6]H)	110.3570	2.028	2	109.7265	1.061	6	109.3434	0.296	196	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[5]S[6])(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|S<2>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[5]S[6])(H)2{1|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4180	0.065	4	109.4180	0.004	4	109.3434	0.296	196	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]2)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]2)(H)2{1|C<4>,2|N<3>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5325	0.028	2	109.3570	0.042	4	109.3434	0.296	196	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]2)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]2)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1815	0.030	2	109.3570	0.042	4	109.3434	0.296	196	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.6655	0.078	2	109.2840	0.064	64	109.3434	0.296	196	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2{1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2630	0.000	1	109.2840	0.064	64	109.3434	0.296	196	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5072	0.077	4	109.2840	0.064	64	109.3434	0.296	196	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1526	0.172	25	109.2840	0.064	64	109.3434	0.296	196	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2{1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3841	0.223	28	109.2840	0.064	64	109.3434	0.296	196	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6480	0.024	2	109.2840	0.064	64	109.3434	0.296	196	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3435	0.019	2	109.2840	0.064	64	109.3434	0.296	196	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.2200	0.054	2	109.0486	1.574	11	109.3434	0.296	196	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.4987	0.696	3	109.0486	1.574	11	109.3434	0.296	196	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8800	0.312	4	109.0486	1.574	11	109.3434	0.296	196	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	111.0395	2.039	2	109.0486	1.574	11	109.3434	0.296	196	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]N)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]N)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9335	0.030	2	108.9335	0.001	2	109.3434	0.296	196	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.7405	0.036	2	109.2332	0.156	21	109.3434	0.296	196	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.4950	0.059	2	109.2332	0.156	21	109.3434	0.296	196	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	109.1623	0.311	12	109.2332	0.156	21	109.3434	0.296	196	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3995	0.030	2	109.2332	0.156	21	109.3434	0.296	196	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5597	0.047	3	109.2332	0.156	21	109.3434	0.296	196	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]P)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|P<4>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]P)(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8055	0.022	2	109.8055	0.000	2	109.3434	0.296	196	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]S)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]S)(H)2{1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4108	0.226	4	109.4108	0.051	4	109.3434	0.296	196	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]C)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]C)(H)2{1|Co<4>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.5350	0.023	2	108.5350	0.001	2	109.3434	0.296	196	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4225	0.005	2	109.3832	0.297	43	109.3434	0.296	196	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3366	0.609	33	109.3832	0.297	43	109.3434	0.296	196	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5655	0.192	8	109.3832	0.297	43	109.3434	0.296	196	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(H)2{2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5740	0.062	2	109.3761	0.608	13	109.3434	0.296	196	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(H)2{2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5480	0.030	2	109.3761	0.608	13	109.3434	0.296	196	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(H)2{2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4235	0.045	2	109.3761	0.608	13	109.3434	0.296	196	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(H)2{2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.5003	1.419	3	109.3761	0.608	13	109.3434	0.296	196	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(H)2{2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8880	0.018	2	109.3761	0.608	13	109.3434	0.296	196	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(H)2{2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.7605	0.039	2	109.3761	0.608	13	109.3434	0.296	196	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2{1|C<3>,1|N<2>,1|O<1>}	H(C[6]C[6,6a]C[6]H)	109.4225	0.049	2	109.4225	0.002	2	109.3434	0.296	196	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[5,6]C[5,6]2)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HH)(N[5,6]C[5,6]2)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.7640	0.008	2	109.8468	0.405	6	109.8468	0.405	6	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[5,6]C[5,6]2)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HH)(N[5,6]C[5,6]2)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8882	0.818	4	109.8468	0.405	6	109.8468	0.405	6	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6,6]C[6,6]2)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HH)(N[6,6]C[6,6]2)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3000	0.353	3	109.2150	0.032	12	109.2150	0.032	12	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6,6]C[6,6]2)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HH)(N[6,6]C[6,6]2)(H)2{2|H<1>,2|N<3>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1867	0.097	9	109.2150	0.032	12	109.2150	0.032	12	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	110.7630	1.625	6	110.1373	2.129	10	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1988	0.167	4	110.1373	2.129	10	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6,6a]C)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6,6a]C)(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5940	0.000	1	109.6447	0.022	10	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6,6a]C)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6,6a]C)(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6503	0.155	9	109.6447	0.022	10	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2{1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.7300	0.006	2	109.3910	0.031	16	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4040	0.024	2	109.3910	0.031	16	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2722	0.123	8	109.3910	0.031	16	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4525	0.036	4	109.3910	0.031	16	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]C)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	110.1925	0.564	2	110.1925	0.318	2	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]Au)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|Au<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]Au)(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6455	0.091	2	109.6455	0.008	2	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<1>,1|C<4>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	110.0565	0.377	4	109.4374	0.695	112	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1970	0.041	2	109.4374	0.695	112	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.7816	0.168	8	109.4374	0.695	112	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<2>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5418	0.141	6	109.4374	0.695	112	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3649	0.187	14	109.4374	0.695	112	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9330	2.011	2	109.4374	0.695	112	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6875	0.012	2	109.4374	0.695	112	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5475	0.009	2	109.4374	0.695	112	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	109.1180	4.705	2	109.4374	0.695	112	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4476	0.564	14	109.4374	0.695	112	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3580	0.030	2	109.4374	0.695	112	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<2>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1132	0.129	4	109.4374	0.695	112	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4375	1.219	28	109.4374	0.695	112	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5383	0.094	6	109.4374	0.695	112	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	108.9815	0.019	2	109.4374	0.695	112	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2897	0.182	6	109.4374	0.695	112	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5970	0.018	2	109.4374	0.695	112	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4530	0.072	2	109.4374	0.695	112	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{2|C<3>,3|C<4>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9930	0.017	2	109.4374	0.695	112	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{2|C<4>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2430	0.243	2	109.4374	0.695	112	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]Cu)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|Cu<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]Cu)(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1030	0.045	2	109.1030	0.002	2	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4675	0.033	2	109.1993	0.584	13	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4160	0.000	1	109.1993	0.584	13	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3570	0.000	1	109.1993	0.584	13	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.7687	1.046	4	109.1993	0.584	13	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2{1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.7235	0.011	2	109.1993	0.584	13	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9220	0.000	1	109.1993	0.584	13	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2195	1.464	2	109.1993	0.584	13	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5780	0.027	2	109.3527	0.664	15	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.7620	0.006	2	109.3527	0.664	15	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2235	0.148	6	109.3527	0.664	15	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5750	0.000	1	109.3527	0.664	15	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1737	1.680	4	109.3527	0.664	15	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6390	0.017	2	109.5468	2.499	4	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4545	2.732	2	109.5468	2.499	4	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|Br<1>,1|C<4>,1|S<4>,2|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9220	0.150	10	108.8850	0.025	22	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|S<3>,2|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0295	0.074	2	108.8850	0.025	22	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.7785	0.117	4	108.8850	0.025	22	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9365	0.141	4	108.8850	0.025	22	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|I<1>,1|S<4>,2|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.6660	0.011	2	108.8850	0.025	22	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|C<2>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2107	0.194	10	109.1870	1.900	115	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2511	0.389	20	109.1870	1.900	115	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	110.0120	0.008	2	109.1870	1.900	115	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1108	1.781	67	109.1870	1.900	115	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3770	0.010	2	109.1870	1.900	115	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3352	0.307	9	109.1870	1.900	115	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|O<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5930	0.222	3	109.1870	1.900	115	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{5|C<3>}	H(C[6]C[6,6a]C[6]H)	108.6865	0.011	2	109.1870	1.900	115	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2850	0.000	1	109.2850	0.000	1	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(H)2{1|C<4>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.6990	0.047	2	109.6990	0.002	2	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8480	0.033	4	108.8480	0.001	4	109.3245	1.086	330	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	110.9707	3.206	4	110.9707	10.279	4	110.0002	2.321	18	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]N[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|N<2>}	H(C[6]C[6]2H)	109.6330	0.017	2	109.6330	0.000	2	110.0002	2.321	18	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	110.2705	0.200	4	110.2705	0.040	4	110.0002	2.321	18	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|O<2>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.1707	0.012	3	109.1707	0.000	3	110.0002	2.321	18	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[6]2H)	110.2115	0.366	2	110.2115	0.134	2	110.0002	2.321	18	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|N<2>}	H(C[6]C[6]2H)	109.7480	0.000	1	109.2793	0.165	3	110.0002	2.321	18	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[6]2H)	109.0450	0.023	2	109.2793	0.165	3	110.0002	2.321	18	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(H)2{1|O<2>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	110.2400	0.025	2	109.1279	0.375	10	109.5719	2.081	24	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(H)2{4|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.8499	0.200	8	109.1279	0.375	10	109.5719	2.081	24	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5])(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.5640	0.004	2	109.5640	0.000	2	109.5719	2.081	24	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0005	5.537	2	109.0005	30.662	2	109.5719	2.081	24	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	110.1317	0.947	10	110.1317	0.897	10	109.5719	2.081	24	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[5,6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[5,6,6]C[5,6,6]Ge[5,6])(C[6]N[6]HH)(H)2	C[6](C[6]N[5,6,6]HH)(N[6]C[6,6]H)(H)2	H(C[6]N[5,6,6]C[6]H)	C[6](N[5,6,6]C[5,6,6]Ge[5,6])(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[6](C[6]N[5,6,6]HH)(N[6]C[6,6]H)(H)2{1|Ge<3>,1|C<3>,2|C<4>}	H(C[6]N[5,6,6]C[6]H)	109.4105	0.019	2	109.4105	0.000	2	109.4105	0.000	2	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:Br-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]BrH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]H)(Br)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]BrH)(H)2{1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[6](C[6]N[5,6]HH)(C[6]C[6]H)(Br)(H){1|C<4>,1|H<1>,1|S<4>}	H(C[6]N[5,6]C[6]H)	109.4720	0.000	1	109.4720	0.000	1	109.4720	0.000	1	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6,6]O)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6,6]O)(H)2{1|H<1>,3|C<4>}	H(C[6]N[5,6]C[6]H)	109.1605	0.054	2	109.1605	0.003	2	109.7557	0.334	6	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|H<1>,2|O<1>,3|C<4>}	C[6](C[6]N[5,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]N[5,6]C[6]H)	109.6650	0.006	2	109.6650	0.000	2	109.7557	0.334	6	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]N[6]H)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]N[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]N[5,6]C[6]H)	110.4415	0.009	2	110.4415	0.000	2	109.7557	0.334	6	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2	C[6](C[6]N[5,6]HH)(N[6]C[6]C)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]N[5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.7990	0.000	1	109.7990	0.000	1	108.9934	2.324	7	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2	C[6](C[6]N[5,6]HH)(N[6]C[6]H)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[5,6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]N[5,6]C[6]H)	108.4435	3.521	2	108.4435	12.395	2	108.9934	2.324	7	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2	C[6](C[6]N[5,6]HH)(N[6]Ge[6]C)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2{1|Ge<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[5,6]HH)(N[6]Ge[6]C)(H)2{2|C<3>}	H(C[6]N[5,6]C[6]H)	109.0670	0.303	4	109.0670	0.092	4	108.9934	2.324	7	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]N[6,6]O)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6,6]N[5a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]N[5a,6]HH)(C[6]N[6,6]O)(H)2{1|N<2>,2|C<3>}	H(C[6]N[5a,6]C[6]H)	110.1735	0.165	4	110.1735	0.027	4	110.0572	0.088	5	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]C)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{5|C<3>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]C)(H)2{3|C<3>}	H(C[6]N[5a,6]C[6]H)	109.5920	0.000	1	109.5920	0.000	1	110.0572	0.088	5	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(N[6]C[6]C)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[6]N[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<2>,1|O<1>}	H(C[6]N[5a,6]C[6]H)	109.6210	1.751	2	109.6210	3.065	2	109.7040	0.620	6	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(N[6]C[6]C)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,4|C<3>}	C[6](C[6]N[5a,6]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	H(C[6]N[5a,6]C[6]H)	109.8065	0.008	2	109.8065	0.000	2	109.7040	0.620	6	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(N[6]C[6a]C[6])(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,4|C<3>}	C[6](C[6]N[5a,6]HH)(N[6]C[6a]C[6])(H)2{2|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6]H)	109.6845	0.015	2	109.6845	0.000	2	109.7040	0.620	6	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6,6a]O)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6,6a]O)(H)2{1|C<4>,2|C<3>}	H(C[6]N[6,6]C[6]H)	109.3735	0.035	2	109.3735	0.001	2	109.3426	0.356	20	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(H)2{3|C<4>}	H(C[6]N[6,6]C[6]H)	109.8070	1.181	4	109.8070	1.395	4	109.3426	0.356	20	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]O)(H)2{2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	109.5410	0.045	2	109.0822	0.099	10	109.3426	0.356	20	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|H<1>,2|O<1>,3|C<4>}	C[6](C[6]N[6,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]N[6,6]C[6]H)	109.3285	0.009	2	109.0822	0.099	10	109.3426	0.356	20	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]N[6,6]HH)(C[6]C[6]O)(H)2{2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	108.8472	0.058	6	109.0822	0.099	10	109.3426	0.356	20	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]N[6,6]C[6]H)	109.5135	0.081	4	109.5135	0.007	4	109.3426	0.356	20	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]N[6,6]HH)(N[6]C[6,6]H)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]N[6,6]HH)(N[6]C[6,6]H)(H)2{1|N<3>,3|C<4>}	H(C[6]N[6,6]C[6]H)	109.7177	0.682	4	109.7177	0.466	4	109.9437	0.724	9	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]N[6,6]HH)(N[6]C[6,6a]C)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]N[6,6]HH)(N[6]C[6,6a]C)(H)2{1|C<4>,2|C<3>}	H(C[6]N[6,6]C[6]H)	110.0875	0.012	2	110.0875	0.000	2	109.9437	0.724	9	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]N[6,6]HH)(N[6]C[6,6]C)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]N[6,6]HH)(N[6]C[6,6]C)(H)2{1|H<1>,3|C<4>}	H(C[6]N[6,6]C[6]H)	108.5540	0.000	1	108.5540	0.000	1	109.9437	0.724	9	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]S[6])(C[6]N[6]HH)(H)2	C[6](C[6]N[6,6]HH)(N[6]C[6]H)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]S[6])(C[6]N[6]HH)(H)2{1|H<1>,2|O<1>,3|C<3>}	C[6](C[6]N[6,6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[6]N[6,6]C[6]H)	110.9465	0.452	2	110.9465	0.204	2	109.9437	0.724	9	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]N[6,6a]HH)(N[6]C[6]C)(H)2	H(C[6]N[6,6a]C[6]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]N[6,6a]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	H(C[6]N[6,6a]C[6]H)	109.8250	0.037	2	109.8250	0.001	2	109.8250	0.001	2	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]N[6]HH)(C[6]C[6]2)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.3126	0.524	9	109.3126	0.275	9	109.1880	0.400	10	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	108.0670	0.000	1	108.0670	0.000	1	109.1880	0.400	10	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5115	0.057	4	109.6102	0.031	40	109.5390	0.240	818	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8007	0.068	3	109.6102	0.031	40	109.5390	0.240	818	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4968	0.093	6	109.6102	0.031	40	109.5390	0.240	818	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6549	0.094	7	109.6102	0.031	40	109.5390	0.240	818	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8615	0.189	6	109.6102	0.031	40	109.5390	0.240	818	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5160	0.112	14	109.6102	0.031	40	109.5390	0.240	818	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5761	0.058	12	109.5797	0.317	24	109.5390	0.240	818	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5855	1.014	8	109.5797	0.317	24	109.5390	0.240	818	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|N<2>,1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5793	0.124	4	109.5797	0.317	24	109.5390	0.240	818	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]N[5])(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]N[5])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9655	0.080	2	109.9655	0.006	2	109.5390	0.240	818	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2{1|Cu<3>,2|C<4>,2|H<1>,2|N<3>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6675	0.031	6	109.5772	0.010	17	109.5390	0.240	818	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2{1|Cu<4>,2|C<4>,2|H<1>,2|N<3>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5280	0.088	11	109.5772	0.010	17	109.5390	0.240	818	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5867	0.283	8	109.4063	0.083	15	109.5390	0.240	818	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.1565	0.020	4	109.4063	0.083	15	109.5390	0.240	818	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2583	0.096	3	109.4063	0.083	15	109.5390	0.240	818	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<2>,1|C<4>,2|H<1>,2|N<2>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7213	0.032	3	109.5381	0.265	636	109.5390	0.240	818	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5779	0.148	32	109.5381	0.265	636	109.5390	0.240	818	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6145	0.156	37	109.5381	0.265	636	109.5390	0.240	818	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4805	0.133	13	109.5381	0.265	636	109.5390	0.240	818	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5007	0.445	178	109.5381	0.265	636	109.5390	0.240	818	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9700	0.000	1	109.5381	0.265	636	109.5390	0.240	818	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5418	0.604	359	109.5381	0.265	636	109.5390	0.240	818	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>,2|N<2>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6165	0.094	13	109.5381	0.265	636	109.5390	0.240	818	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.4805	0.035	2	109.5480	0.217	64	109.5390	0.240	818	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5502	0.474	62	109.5480	0.217	64	109.5390	0.240	818	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3522	0.122	4	109.3522	0.015	4	109.5390	0.240	818	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|S<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3741	0.576	8	109.3759	0.165	16	109.5390	0.240	818	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3776	0.147	8	109.3759	0.165	16	109.5390	0.240	818	109.4969	0.509	1653	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:2:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]O[6]H)(H)2	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]O[6]H)(H)2{1|C<4>,1|S<4>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	110.3635	0.009	4	110.3635	0.000	4	110.4450	0.008	8	109.5712	0.368	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:2:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]O[6]H)(H)2	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]O[6]H)(H)2{1|C<4>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	110.5265	0.043	4	110.5265	0.002	4	110.4450	0.008	8	109.5712	0.368	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:2:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-2:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(CN)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(CN)(H){1|C<4>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	110.1420	0.000	1	110.1420	0.000	1	110.1420	0.000	1	109.5712	0.368	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:2:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[5a]O[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[5a]O[6]H)(H)2{3|C<3>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.8585	0.029	2	109.8585	0.001	2	109.8585	0.001	2	109.5712	0.368	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:2:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]HO)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(OH)(H){1|C<4>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.3635	0.013	2	109.3635	0.000	2	109.2985	0.007	4	109.5712	0.368	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:2:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.2335	0.059	2	109.2335	0.003	2	109.2985	0.007	4	109.5712	0.368	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:2:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6]H)(H)2{1|B<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.0342	0.103	5	108.9341	0.036	7	108.9341	0.036	7	109.5712	0.368	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:2:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6]H)(H)2{1|B<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H){1|N<3>,2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	108.6840	0.010	2	108.9341	0.036	7	108.9341	0.036	7	109.5712	0.368	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:2:1:	4:	C[6,6a]-3:C[6]-4:Br-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(Br)(H)	C[6](C[6]C[6,6a]BrH)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[6]C[6,6a]C[6]Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(Br)(H){1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]BrH)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]Br)	108.8040	0.000	1	108.8040	0.000	1	108.8040	0.000	1	109.5712	0.368	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:2:1:	4:	C[6,6a]-3:C[6]-4:Cl-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(Cl)(H)	C[6](C[6]C[6,6a]ClH)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[6]C[6,6a]C[6]Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(Cl)(H){1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]ClH)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]Cl)	108.9390	0.000	1	108.9390	0.000	1	108.9390	0.000	1	109.5712	0.368	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:2:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(OH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8375	0.043	2	108.8375	0.002	2	108.8375	0.002	2	109.5712	0.368	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:2:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:N[6]-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(H)2	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6])(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(H)2{5|C<3>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6])(H){1|N<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.7300	0.000	1	109.7300	0.000	1	109.7300	0.000	1	109.5712	0.368	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:2:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(H)2	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(H)2{1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6220	0.000	1	109.6220	0.000	1	109.6220	0.000	1	109.5712	0.368	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:2:1:	4:	C[6,6a]-3:C[6]-4:H-1:O-1:	C[6]-4:C[6a]-3:N[6]-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)(O)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]S[6])(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)(O){1|H<1>,1|S<4>,4|C<3>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]S[6])(H){2|H<1>,2|O<1>,4|C<3>}	H(C[6]C[6,6a]C[6]O)	109.0980	0.000	1	109.0980	0.000	1	109.0980	0.000	1	109.5712	0.368	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:2:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]O[6]H)(H)2	C[6](C[6]N[5,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]O[6]H)(H)2{1|B<4>,1|C<4>,1|N<3>,3|C<3>}	C[6](C[6]N[5,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H){2|C<4>,2|H<1>,4|C<3>}	H(C[6]N[5,6]C[6]H)	109.6645	0.018	2	109.6645	0.000	2	109.6645	0.000	2	109.5712	0.368	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:2:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6a]O[6]H)(H)2	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6a]O[6]H)(H)2{1|C<4>,4|C<3>}	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|N<2>,3|C<3>,4|H<1>}	H(C[6]N[5a,6]C[6]H)	109.8840	0.018	2	109.8840	0.000	2	109.8967	0.001	3	109.5712	0.368	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:2:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]O[6]H)(H)2	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]O[6]H)(H)2{1|C<4>,5|C<3>}	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){3|H<1>,5|C<3>}	H(C[6]N[5a,6]C[6]H)	109.9220	0.000	1	109.9220	0.000	1	109.8967	0.001	3	109.5712	0.368	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:2:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:S[6]-2:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]S[6]H)(H)2	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(S[6]C[6])(H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]S[6]H)(H)2{1|C<4>,5|C<3>}	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(S[6]C[6])(H){3|H<1>,5|C<3>}	H(C[6]N[5a,6]C[6]H)	109.2625	0.049	2	109.2625	0.002	2	109.2625	0.002	2	109.5712	0.368	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:2:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]O[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CH3)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]O[6]C)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CH3){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	110.0678	0.033	4	110.0678	0.001	4	110.0678	0.001	4	109.8317	0.366	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:2:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]O[6]C)(H)2	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CF3)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]O[6]C)(H)2{1|N<3>,5|C<3>}	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CF3){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	110.3220	0.017	2	110.3220	0.000	2	110.3220	0.000	2	109.8317	0.366	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:2:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(CClHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6]C)(H)2{1|B<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(CClHH){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.8695	0.008	2	108.8695	0.000	2	108.8695	0.000	2	109.8317	0.366	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:3:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(CCH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]CH)(H)2{1|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(CCH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[5,6]C[6]H)	108.1410	0.659	2	108.1410	0.434	2	109.4211	0.834	10	109.4961	0.296	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:3:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]CH)(H)2{1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCH)(H){1|Cl<1>,1|C<3>,1|C<4>}	H(C[6]C[5,6]C[6]H)	109.6150	1.601	2	109.6150	2.563	2	109.4211	0.834	10	109.4961	0.296	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:3:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]C)(CCH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|O<2>}	C[6](C[6]C[5,6]HH)(C[6]O[6]C)(CCH)(H){1|C<3>,1|C<4>}	H(C[6]C[5,6]C[6]H)	109.7832	0.273	6	109.7832	0.075	6	109.4211	0.834	10	109.4961	0.296	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:3:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]CH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(CNO)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]CH)(H)2{1|C<3>,1|H<1>,1|S<4>,3|C<4>}	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(CNO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0445	0.023	2	109.0445	0.001	2	109.0445	0.001	2	109.4961	0.296	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:3:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,6|C<3>}	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6825	0.019	2	109.6825	0.000	2	109.6825	0.000	2	109.4961	0.296	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:3:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[4,6]H)(CNO)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[4,6]H)(CNO)(H){2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	109.8330	0.040	2	109.8330	0.002	2	110.0138	0.051	33	109.4961	0.296	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:3:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[4,6]H)(COO)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[4,6]H)(COO)(H){2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	110.0302	0.071	6	110.0302	0.005	6	110.0138	0.051	33	109.4961	0.296	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:3:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H){1|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	109.6525	0.021	2	109.8960	0.098	10	110.0138	0.051	33	109.4961	0.296	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:3:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	110.2417	0.108	4	109.8960	0.098	10	110.0138	0.051	33	109.4961	0.296	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:3:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H){1|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	109.6720	0.128	4	109.8960	0.098	10	110.0138	0.051	33	109.4961	0.296	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:3:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(CNO)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(CNO)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	110.1300	0.020	2	110.1300	0.000	2	110.0138	0.051	33	109.4961	0.296	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:3:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	109.8405	0.009	2	110.1067	0.030	13	110.0138	0.051	33	109.4961	0.296	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:3:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H){1|C<4>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	110.2730	0.016	2	110.1067	0.030	13	110.0138	0.051	33	109.4961	0.296	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:3:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H){1|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	110.0863	0.199	4	110.1067	0.030	13	110.0138	0.051	33	109.4961	0.296	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:3:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H){1|N<3>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	110.0540	0.000	1	110.1067	0.030	13	110.0138	0.051	33	109.4961	0.296	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:3:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H){1|O<1>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	110.1903	0.076	4	110.1067	0.030	13	110.0138	0.051	33	109.4961	0.296	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:3:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2{7|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	108.7255	0.062	2	108.7255	0.004	2	108.7255	0.004	2	109.4961	0.296	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[5]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6]H)(H)2	C[6](C[6]C[6,6a]HH)(C[5]N[5]O[5])(N[6]C[6]H)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6]H)(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[5]N[5]O[5])(N[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9270	0.020	2	108.9270	0.000	2	108.9270	0.000	2	109.4961	0.296	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]H)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0607	1.153	4	109.3123	0.532	11	109.1318	0.321	22	109.4961	0.296	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]H)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2{2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4560	0.394	7	109.3123	0.532	11	109.1318	0.321	22	109.4961	0.296	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2{1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]S)(H){4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0896	0.013	5	109.0896	0.000	5	109.1318	0.321	22	109.4961	0.296	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]S[6]H)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2{1|S<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]S[6]H)(H){2|H<1>,2|O<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.6610	0.000	1	108.6610	0.000	1	109.1318	0.321	22	109.4961	0.296	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(H)2	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(H)2{1|C<4>,5|C<3>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|N<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1283	0.031	3	109.1283	0.001	3	109.1318	0.321	22	109.4961	0.296	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(H)2	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]N)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(H)2{1|C<4>,1|N<2>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|N<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.4850	0.007	2	108.4850	0.000	2	109.1318	0.321	22	109.4961	0.296	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNO)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNO)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4441	0.203	7	109.2465	0.107	13	109.3950	0.095	36	109.4961	0.296	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNO)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNO)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0158	0.299	6	109.2465	0.107	13	109.3950	0.095	36	109.4961	0.296	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNS)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNS)(H){1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	110.0685	0.018	2	110.0685	0.000	2	109.3950	0.095	36	109.4961	0.296	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(COO)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(COO)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2640	0.013	2	109.2687	0.008	4	109.3950	0.095	36	109.4961	0.296	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(COO)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(COO)(H){1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2735	0.155	2	109.2687	0.008	4	109.3950	0.095	36	109.4961	0.296	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(COO)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(COO)(H){1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4237	0.257	8	109.4533	0.039	14	109.3950	0.095	36	109.4961	0.296	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(COO)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(COO)(H){1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5410	0.006	2	109.4533	0.039	14	109.3950	0.095	36	109.4961	0.296	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(COO)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(COO)(H){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4685	0.079	4	109.4533	0.039	14	109.3950	0.095	36	109.4961	0.296	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(COO)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(COO)(H){3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6590	0.010	2	109.6590	0.000	2	109.3950	0.095	36	109.4961	0.296	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(CCH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(CCH)(H){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1410	0.000	1	109.1410	0.000	1	109.3950	0.095	36	109.4961	0.296	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:O-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)(O)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]S[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)(O){1|S<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]S[6]H)(H){2|H<1>,2|O<1>,4|C<3>}	H(C[6]C[6,6a]C[6]O)	109.1820	0.000	1	109.1820	0.000	1	109.1820	0.000	1	109.4961	0.296	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:3:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]N)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]N)(COO)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9205	0.023	2	108.9205	0.001	2	108.9500	0.002	4	109.4961	0.296	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:3:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(COO)(H){1|O<1>,2|C<3>}	H(C[6]C[6]2H)	108.9795	0.032	2	108.9795	0.001	2	108.9500	0.002	4	109.4961	0.296	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:3:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]N[6]H)(H)2	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]N[6]H)(H)2{1|C<4>,1|S<4>,5|C<3>}	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(N[6]C[6]S)(H){3|H<1>,5|C<3>}	H(C[6]N[5a,6]C[6]H)	109.6672	0.035	6	109.6672	0.001	6	109.6672	0.001	6	109.4961	0.296	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:3:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	C[6]-4:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]2O[6])(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(O[6]B[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]2O[6])(H)2{1|B<4>,1|H<1>,6|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(O[6]B[6]){1|N<3>,2|C<4>,4|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	108.3775	0.026	2	108.3775	0.001	2	108.3775	0.001	2	108.3775	0.001	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:3:3:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(COO)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(COO)2{1|C<4>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3370	0.031	2	109.3370	0.001	2	109.3370	0.001	2	109.5820	0.181	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:3:3:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:N-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]N)(H)2	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]O)(NCH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]N)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]O)(NCH){1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	110.0720	0.000	1	110.0720	0.000	1	110.0720	0.000	1	109.5820	0.181	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4045	0.005	2	109.4045	0.000	2	109.4045	0.000	2	109.5218	0.012	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]2C[6])(H)2	C[6](C[6]N[5,6]HH)(C[6a]C[6a]2)2(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]2C[6])(H)2{1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6](C[6]N[5,6]HH)(C[6a]C[6a]2)2(C[6]C[6]HH){1|C<4>,5|C<3>,6|H<1>}	H(C[6]N[5,6]C[6]H)	109.6465	0.022	2	109.6465	0.000	2	109.5805	0.006	4	109.5218	0.012	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]S[5])(C[6]C[6a]2C[6])(H)2	C[6](C[6]N[5,6]HH)(C[6a]C[6a]2)2(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]S[5])(C[6]C[6a]2C[6])(H)2{1|N<3>,2|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6](C[6]N[5,6]HH)(C[6a]C[6a]2)2(C[6]C[6]HH){1|C<4>,1|S<4>,4|C<3>,6|H<1>}	H(C[6]N[5,6]C[6]H)	109.5145	0.016	2	109.5145	0.000	2	109.5805	0.006	4	109.5218	0.012	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(H)2{2|Se<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,5|C<3>}	H(C[6]C[5,6]C[6]H)	109.5140	0.023	2	109.5140	0.001	2	109.6100	0.013	4	109.2762	0.474	128	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6a]C[5,6])(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6a]C[5,6])(C[6]C[6a]C[6]H)(H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.7060	0.049	2	109.7060	0.002	2	109.6100	0.013	4	109.2762	0.474	128	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	109.1680	0.024	2	109.5763	0.223	4	109.7214	0.123	9	109.2762	0.474	128	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)2{1|H<1>,2|C<4>,5|C<3>}	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	109.9845	0.049	2	109.5763	0.223	4	109.7214	0.123	9	109.2762	0.474	128	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6275	0.035	2	109.6275	0.001	2	109.7214	0.123	9	109.2762	0.474	128	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	109.8900	0.000	1	109.8900	0.000	1	109.7214	0.123	9	109.2762	0.474	128	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]C[6]H)(H)2{2|H<1>,5|C<3>}	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	110.0215	0.028	2	110.0215	0.001	2	109.7214	0.123	9	109.2762	0.474	128	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(CH3)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(CH3)(H){1|C<4>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	109.6710	0.000	1	109.6710	0.000	1	109.5684	0.066	5	109.2762	0.474	128	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(CH3)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(CH3)(H){1|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	109.5427	0.288	4	109.5427	0.083	4	109.5684	0.066	5	109.2762	0.474	128	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:P-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HP)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]C)(PC[6a]2O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HP)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]C)(PC[6a]2O)(H){2|C<3>}	H(C[6]C[6,6]C[6]H)	109.5920	0.010	2	109.5920	0.000	2	109.5920	0.000	2	109.2762	0.474	128	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2{1|C<2>,1|H<1>,3|C<4>,4|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CC)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	110.3760	0.013	2	109.5535	0.902	4	109.2423	0.270	19	109.2762	0.474	128	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2{1|H<1>,2|C<2>,3|C<3>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CC)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7310	0.025	2	109.5535	0.902	4	109.2423	0.270	19	109.2762	0.474	128	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	108.6942	0.094	4	108.6942	0.009	4	109.2423	0.270	19	109.2762	0.474	128	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2303	0.041	3	109.2303	0.002	3	109.2423	0.270	19	109.2762	0.474	128	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]O[6]CH)(H){2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.6150	0.008	2	109.6150	0.000	2	109.2423	0.270	19	109.2762	0.474	128	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.3245	0.005	2	109.3245	0.000	2	109.2423	0.270	19	109.2762	0.474	128	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.5010	0.010	2	109.2608	0.078	4	109.2423	0.270	19	109.2762	0.474	128	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.0205	0.059	2	109.2608	0.078	4	109.2423	0.270	19	109.2762	0.474	128	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]N[6]CH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]N[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.9035	0.057	2	109.9035	0.003	2	109.9035	0.003	2	109.2762	0.474	128	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:F-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(F)(H)	C[6](C[6]C[6,6a]FH)(N[6]C[6]C)(CCHH)(H)	H(C[6]C[6,6a]C[6]F)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(F)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]FH)(N[6]C[6]C)(CCHH)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]F)	108.5250	0.000	1	108.5250	0.000	1	108.5250	0.000	1	109.2762	0.474	128	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6a]B[6,6a,6a]C[6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6,6a]O)(CH3)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]B[6,6a,6a]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6,6a]O)(CH3)(H){1|B<3>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.5680	0.049	2	108.5680	0.002	2	109.1015	0.247	8	109.2762	0.474	128	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCCH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCCH)(H){5|C<3>}	H(C[6]C[6,6a]C[6]H)	108.7780	0.018	2	108.7780	0.000	2	109.1015	0.247	8	109.2762	0.474	128	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCCO)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCCO)(H){1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1670	0.000	1	109.1670	0.000	1	109.1015	0.247	8	109.2762	0.474	128	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CCHH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CCHH)(H){2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5730	0.018	2	109.5730	0.000	2	109.1015	0.247	8	109.2762	0.474	128	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CC[5a]CH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CC[5a]CH)(H){2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8070	0.000	1	109.8070	0.000	1	109.1015	0.247	8	109.2762	0.474	128	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|H<1>,6|C<3>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]CC)(H){3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	108.2930	0.007	2	108.2930	0.000	2	108.9319	0.454	21	109.2762	0.474	128	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7523	0.211	4	108.9467	0.118	6	108.9319	0.454	21	109.2762	0.474	128	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3355	0.037	2	108.9467	0.118	6	108.9319	0.454	21	109.2762	0.474	128	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3283	1.151	3	109.5124	0.476	7	108.9319	0.454	21	109.2762	0.474	128	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH)(H){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6505	0.102	4	109.5124	0.476	7	108.9319	0.454	21	109.2762	0.474	128	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.2810	0.014	2	108.2810	0.000	2	108.9319	0.454	21	109.2762	0.474	128	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.5387	0.574	4	108.5387	0.329	4	108.9319	0.454	21	109.2762	0.474	128	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CC[6a]2O)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CC[6a]2O)(H){1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2920	0.156	4	109.2920	0.024	4	109.2735	0.056	23	109.2762	0.474	128	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CC[6a]2O)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CC[6a]2O)(H){1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4205	0.011	2	109.4205	0.000	2	109.2735	0.056	23	109.2762	0.474	128	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H){1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3090	0.018	2	109.1815	0.060	13	109.2735	0.056	23	109.2762	0.474	128	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1937	0.021	3	109.1815	0.060	13	109.2735	0.056	23	109.2762	0.474	128	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1450	0.309	8	109.1815	0.060	13	109.2735	0.056	23	109.2762	0.474	128	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]Pd)(CC[6a]HH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]Pd)(CC[6a]HH)(H){3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6390	0.075	2	109.6390	0.006	2	109.2735	0.056	23	109.2762	0.474	128	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(CBrHH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(CBrHH)(H){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3220	0.045	2	109.3220	0.002	2	109.2735	0.056	23	109.2762	0.474	128	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCl3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCl3)(H){1|O<1>,2|C<3>}	H(C[6]C[6]2H)	108.7395	0.049	2	108.7395	0.002	2	108.7395	0.002	2	109.2762	0.474	128	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[6](C[6]N[5a,6]HH)(N[6]C[6]S)(CBrHH)(H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|S<4>,4|C<3>}	C[6](C[6]N[5a,6]HH)(N[6]C[6]S)(CBrHH)(H){1|O<1>,2|C<3>}	H(C[6]N[5a,6]C[6]H)	109.9395	0.021	2	109.9395	0.000	2	109.9395	0.000	2	109.2762	0.474	128	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6,6]O)(CCHH)(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6,6]O)(CCHH)(H){3|C<4>}	H(C[6]N[6,6]C[6]H)	108.9080	0.022	3	108.8821	0.001	7	108.8821	0.001	7	109.2762	0.474	128	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6,6]O)(CCHH)(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]N[6,6]HH)(C[6]N[6,6]O)(CCHH)(H){3|C<4>}	H(C[6]N[6,6]C[6]H)	108.8628	0.035	4	108.8821	0.001	7	108.8821	0.001	7	109.2762	0.474	128	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.4460	1.204	23	109.4460	1.449	23	109.4460	1.449	23	109.2762	0.474	128	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CCHH)(OH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CCHH)(OH){1|H<1>,2|C<3>}	H(C[6]C[5,6]C[6]H)	109.5090	0.044	2	109.5090	0.002	2	109.5090	0.002	2	109.2513	0.073	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HS)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]O)(H)2{1|S<4>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HS)(OH){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9205	0.008	2	108.9205	0.000	2	108.9205	0.000	2	109.2513	0.073	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:2:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CC[6a]HN)(CN)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CC[6a]HN)(CN){2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3245	0.011	2	109.3245	0.000	2	109.3245	0.000	2	109.2513	0.073	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:3:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CH3)(CNO)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CH3)(CNO){1|C<4>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0705	0.018	2	109.0705	0.000	2	109.3133	0.080	4	109.2897	0.049	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:3:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CCHH)(CCO)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CCHH)(CCO){2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5560	0.057	2	109.5560	0.003	2	109.3133	0.080	4	109.2897	0.049	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:3:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CH3)(NOO)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CH3)(NOO){1|C<4>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2425	0.026	2	109.2425	0.001	2	109.2425	0.001	2	109.2897	0.049	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]N[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6,6]O)(CH3)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]N[6]CC)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6,6]O)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	109.1825	0.008	2	109.1825	0.000	2	109.1825	0.000	2	108.9637	1.045	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)2{1|C<3>,1|C<4>,1|O<2>}	H(C[6]C[6,6]C[6]H)	108.6073	2.943	6	108.6073	8.662	6	108.6073	8.662	6	108.9637	1.045	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]H)(CH3)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]N[6a])(C[6]C[6]CC)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]H)(CH3)2{1|C<3>,1|N<2>,1|N<3>}	H(C[6]C[6,6a]C[6]H)	108.7540	0.100	12	108.7540	0.010	12	108.7540	0.010	12	108.9637	1.045	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(CBrCH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2{2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(CBrCH){4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.0295	0.019	2	108.0295	0.000	2	108.4373	0.232	4	108.9637	1.045	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HO)(CH3){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8450	0.177	2	108.8450	0.031	2	108.4373	0.232	4	108.9637	1.045	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CF3)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CF3)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0460	0.014	2	109.0460	0.000	2	109.2081	0.039	18	108.9637	1.045	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CH3)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CH3)2{1|C<4>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1070	0.030	2	109.1070	0.001	2	109.2081	0.039	18	108.9637	1.045	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CH3)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CH3)2{1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3732	0.138	8	109.3558	0.016	10	109.2081	0.039	18	108.9637	1.045	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CH3)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CH3)2{1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2860	0.010	2	109.3558	0.016	10	109.2081	0.039	18	108.9637	1.045	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(CH3)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(CH3)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9735	0.060	2	108.9702	0.001	4	109.2081	0.039	18	108.9637	1.045	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(CH3)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(CH3)2{1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9670	0.025	2	108.9702	0.001	4	109.2081	0.039	18	108.9637	1.045	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6])(C[6]N[6]CC)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2{1|N<2>,3|C<3>}	H(C[6]C[6]2H)	109.0965	0.012	2	109.0965	0.000	2	109.0965	0.000	2	108.9637	1.045	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(H)2	C[6](C[6]N[6]HH)(C[6]N[6]O)(CH3)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(H)2{1|Ir<6>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]N[6]HH)(C[6]N[6]O)(CH3)2{3|C<3>}	H(C[6]C[6]N[6]H)	109.3210	0.107	2	109.3785	0.010	4	109.3785	0.010	4	108.9637	1.045	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(H)2	C[6](C[6]N[6]HH)(C[6]N[6]O)(CH3)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]N[6]HH)(C[6]N[6]O)(CH3)2{1|C<2>,2|C<3>}	H(C[6]C[6]N[6]H)	109.4360	0.078	2	109.3785	0.010	4	109.3785	0.010	4	108.9637	1.045	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	B[6]-3:C[6]-4:H-1:H-1:	P[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[6]C[6a]O[6])(C[6]P[5,6]HH)(H)2	C[6](P[5,6]C[5,6]C[6a]C[5])(C[6]B[6]HH)(H)2	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]O[6])(C[6]P[5,6]HH)(H)2{2|C<4>,3|C<3>}	C[6](P[5,6]C[5,6]C[6a]C[5])(C[6]B[6]HH)(H)2{1|B<4>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]B[6]C[6]H)	108.5150	0.100	2	108.5150	0.010	2	108.5150	0.010	2	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	B[6]-3:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[6]C[6a]C[6])(C[6]P[6]HH)(H)2	C[6](P[6]C[6a]C[6]B)(C[6]B[6]HH)(H)2	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]C[6])(C[6]P[6]HH)(H)2{1|B<4>,1|C<4>,2|H<1>,3|C<3>}	C[6](P[6]C[6a]C[6]B)(C[6]B[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]B[6]C[6]H)	107.7695	0.040	4	107.7695	0.002	4	107.9466	0.112	7	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	B[6]-3:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[6]C[6a]O[6])(C[6]P[6]HH)(H)2	C[6](P[6]C[6a]C[6]H)(C[6]B[6]HH)(H)2	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]O[6])(C[6]P[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](P[6]C[6a]C[6]H)(C[6]B[6]HH)(H)2{1|B<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]B[6]C[6]H)	108.1827	0.434	3	108.1827	0.189	3	107.9466	0.112	7	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[3x6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[3x6]HH)(H)2	C[6](C[3x6]C[4,6,6]C[6,6]O[6])(C[6]C[3x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[3x6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[3x6]C[4,6,6]C[6,6]O[6])(C[6]C[3x6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	H(C[6]C[3x6]C[6]H)	109.6895	0.005	2	109.6895	0.000	2	109.6895	0.000	2	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[3x6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]2)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[3x6]C[6]H)	109.2400	0.025	2	109.2400	0.001	2	108.8406	0.126	7	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[3x6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[4x6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[4x6])(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[3x6]C[6]H)	109.1570	0.000	1	109.1570	0.000	1	108.8406	0.126	7	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[3x6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[3x6]C[6]H)	108.4885	0.021	2	108.5618	0.007	4	108.8406	0.126	7	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[3x6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[3x6]C[6]H)	108.6350	0.024	2	108.5618	0.007	4	108.8406	0.126	7	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	109.1840	0.028	2	109.1917	0.000	4	109.4228	0.129	6	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	109.1995	0.008	2	109.1917	0.000	4	109.4228	0.129	6	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[6]C[5,6,6]C[6]H)	109.8850	0.031	2	109.8850	0.001	2	109.4228	0.129	6	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:D-1:H-1:	C[6]-4:C[6]-4:D-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]DH)(D)(H)	C[6](C[6]C[5,6]DH)(C[6]C[6]DH)(D)(H)	H(C[6]C[5,6]C[6]D)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]DH)(D)(H){1|Ge<4>,1|D<1>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]DH)(C[6]C[6]DH)(D)(H){1|H<1>,2|C<3>}	H(C[6]C[5,6]C[6]D)	109.4860	0.000	1	109.4860	0.000	1	109.4860	0.000	1	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[4,5]C[5,6])(C[6]C[4,6]HH)(H)2	C[6](C[4,6]C[4,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[4,5]C[5,6])(C[6]C[4,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[4,6]C[4,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.8570	0.000	1	109.8570	0.000	1	109.6175	0.115	2	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[4,6]HH)(H)2	C[6](C[4,6]C[4,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[4,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[4,6]C[4,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3780	0.000	1	109.3780	0.000	1	109.6175	0.115	2	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,5,6]HH)(H)2	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,5,6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]HH)(H)2{2|H<1>,2|O<2>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.3835	1.025	2	109.3835	1.050	2	109.3835	1.050	2	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[5,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	111.0500	0.884	2	111.0500	0.781	2	109.9381	0.536	14	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[5,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.2570	0.211	2	109.2570	0.044	2	109.9381	0.536	14	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[5,6]HH)(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.7735	0.036	2	109.7735	0.001	2	109.9381	0.536	14	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.7960	0.373	2	109.8295	0.520	6	109.9381	0.536	14	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.5780	0.546	2	109.8295	0.520	6	109.9381	0.536	14	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	110.1145	1.368	2	109.8295	0.520	6	109.9381	0.536	14	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6,6]O[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6,6]O[5])(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.9975	0.084	2	109.9975	0.007	2	109.9381	0.536	14	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.6020	0.010	2	109.7007	0.007	6	109.6539	0.057	35	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.7500	0.038	4	109.7007	0.007	6	109.6539	0.057	35	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.6230	0.013	2	109.6230	0.000	2	109.6539	0.057	35	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{7|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.4485	0.005	2	109.4485	0.000	2	109.6539	0.057	35	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{3|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	110.0315	0.049	2	109.5337	0.158	8	109.6539	0.057	35	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[5,6]C[6]H)	108.9865	0.042	2	109.5337	0.158	8	109.6539	0.057	35	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.5585	0.042	4	109.5337	0.158	8	109.6539	0.057	35	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.6636	0.183	8	109.6636	0.033	8	109.6539	0.057	35	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[5,6]HH)(H)2{2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.9020	0.000	1	109.9020	0.000	1	109.6539	0.057	35	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]HH)(H)2{5|C<3>}	H(C[6]C[5,6]C[6]H)	109.6980	0.025	2	109.6305	0.007	4	109.6539	0.057	35	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.5630	0.047	2	109.6305	0.007	4	109.6539	0.057	35	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.7675	0.008	2	109.8845	0.018	4	109.6539	0.057	35	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6,6]HH)(H)2{3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	110.0015	0.008	2	109.8845	0.018	4	109.6539	0.057	35	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.2740	0.000	1	110.2740	0.000	1	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{1|Fe<10>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.6543	0.255	3	109.6543	0.065	3	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5a,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5a,6]C[5])(C[6]C[6]HH)(H)2{1|Se<3>,1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[5,6]HH)(H)2{3|C<3>}	H(C[6]C[5,6]C[6]H)	109.5913	0.119	4	109.5913	0.014	4	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[5,6]C[6]H)	109.8230	0.044	2	109.9210	0.007	6	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.9680	0.027	2	109.9210	0.007	6	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5,6]C[6]H)	109.9720	0.033	2	109.9210	0.007	6	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.4930	0.000	1	109.4930	0.000	1	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6,6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[5,6]C[6]H)	109.8555	0.026	2	109.8555	0.001	2	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]N[5])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.5735	1.469	2	109.5735	2.157	2	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2{3|C<3>}	H(C[6]C[5,6]C[6]H)	109.3505	0.022	2	109.3505	0.000	2	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3640	0.000	1	109.3640	0.000	1	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2800	0.000	1	109.2800	0.000	1	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	109.7875	0.046	2	109.6292	0.034	4	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|C<2>,1|C<3>,1|C<4>,1|O<2>}	H(C[6]C[5,6]C[6]H)	109.4710	0.021	2	109.6292	0.034	4	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	117.1225	2.798	2	117.1225	7.829	2	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Br<1>,1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2227	0.026	4	109.4137	0.783	205	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0605	0.023	2	109.4137	0.783	205	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.8049	0.202	18	109.4137	0.783	205	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.1320	0.011	2	109.4137	0.783	205	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.5265	0.036	2	109.4137	0.783	205	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.6737	0.487	7	109.4137	0.783	205	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.6030	0.229	4	109.4137	0.783	205	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1170	0.034	2	109.4137	0.783	205	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.9010	0.034	2	109.4137	0.783	205	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.2965	0.019	2	109.4137	0.783	205	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|S<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{3|C<3>}	H(C[6]C[5,6]C[6]H)	109.4065	0.033	2	109.4137	0.783	205	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.4520	0.033	2	109.4137	0.783	205	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,1|S<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	114.4390	2.647	2	109.4137	0.783	205	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.7240	0.008	2	109.4137	0.783	205	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.8113	0.205	6	109.4137	0.783	205	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0035	0.173	25	109.4137	0.783	205	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[5,6]C[6]H)	109.5965	0.070	4	109.4137	0.783	205	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0321	0.824	53	109.4137	0.783	205	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<5>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.9319	0.083	8	109.4137	0.783	205	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.6540	1.953	2	109.4137	0.783	205	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.3190	0.061	2	109.4137	0.783	205	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.8637	0.063	4	109.4137	0.783	205	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.6720	0.011	2	109.4137	0.783	205	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3572	2.202	6	109.4137	0.783	205	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.7134	0.185	8	109.4137	0.783	205	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0375	0.177	2	109.4137	0.783	205	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[5,6]C[6]H)	109.5835	0.045	2	109.4137	0.783	205	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.6835	0.005	2	109.4137	0.783	205	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Se<2>,1|B<3>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1285	0.046	4	109.4137	0.783	205	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Se<2>,1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2985	0.025	2	109.4137	0.783	205	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Se<2>,1|C<3>,1|C<4>,1|I<1>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2055	0.064	2	109.4137	0.783	205	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Se<2>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1720	0.031	2	109.4137	0.783	205	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Se<4>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.4870	0.023	2	109.4137	0.783	205	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.0422	0.097	4	109.4137	0.783	205	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	111.2810	0.133	2	109.4137	0.783	205	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.6740	0.632	4	109.4137	0.783	205	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[5,6]C[6]H)	109.5555	0.073	4	109.4137	0.783	205	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[6]C[5,6]C[6]H)	109.6690	4.848	2	109.6690	23.502	2	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[6]C[5,6]C[6]H)	109.5020	0.056	6	109.5020	0.003	6	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[5,6]C[6]H)	110.4687	0.737	11	110.4497	0.498	12	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[5,6]C[6]H)	110.2400	0.000	1	110.4497	0.498	12	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|H<1>,1|P<4>,2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.2835	0.018	2	109.2835	0.000	2	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|P<2>,1|P<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.8325	0.105	4	109.7442	0.020	11	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,2|P<2>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.6937	0.142	7	109.7442	0.020	11	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.3680	1.106	2	108.3680	1.223	2	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.3353	0.157	3	109.8355	0.232	42	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[5,6]C[6]H)	109.7253	0.165	6	109.8355	0.232	42	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.0480	0.000	1	109.8355	0.232	42	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.9957	0.173	16	109.8355	0.232	42	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.6195	0.030	2	109.8355	0.232	42	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.4460	0.066	2	109.8355	0.232	42	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.1070	0.134	4	109.8355	0.232	42	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.1494	0.102	8	109.8355	0.232	42	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<4>,2|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.7525	0.015	2	109.7525	0.000	2	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	109.9007	0.154	14	109.9215	0.024	24	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.8230	0.158	4	109.9215	0.024	24	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	110.0355	0.105	6	109.9215	0.024	24	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|P<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.4790	0.169	8	109.4740	0.022	10	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2{1|Sn<3>,1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|P<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.4540	0.013	2	109.4740	0.022	10	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.4699	0.670	21	109.8430	2.950	23	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	113.7600	4.723	2	109.8430	2.950	23	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Se<2>,1|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.7547	0.080	9	109.6832	0.017	13	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<2>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Se<2>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[5,6]C[6]H)	109.5222	0.021	4	109.6832	0.017	13	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.9355	0.428	2	109.9355	0.183	2	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.4360	0.086	6	109.4360	0.007	6	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{2|C<3>}	H(C[6]C[5,6]C[6]H)	110.1975	0.021	4	110.1975	0.000	4	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.5420	0.261	4	109.5420	0.068	4	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	109.5220	0.006	4	109.4034	0.029	8	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]HH)(H)2{1|Si<5>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	109.2848	0.170	4	109.4034	0.029	8	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6a]C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6a]C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[5,6]C[6]H)	109.8752	0.076	4	109.8752	0.006	4	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]Se[5,5]C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]Se[5,5]C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Se<4>,1|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.9145	0.013	2	109.9145	0.000	2	109.6304	1.017	413	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5a,6]HH)(H)2{1|C<3>,2|C<4>,2|N<3>,5|H<1>}	H(C[6]C[5a,6]C[6]H)	111.2190	0.055	2	111.2190	0.003	2	111.2190	0.003	2	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|O<2>,1|S<2>,3|C<3>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5a,6]HH)(H)2{1|N<2>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	109.0835	0.025	2	109.0835	0.001	2	109.8007	0.145	16	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	109.9507	0.119	3	110.1320	0.037	7	109.8007	0.145	16	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|N<3>}	H(C[6]C[5a,6]C[6]H)	110.2680	0.087	4	110.1320	0.037	7	109.8007	0.145	16	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5a,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7265	0.008	2	109.7540	0.002	3	109.8007	0.145	16	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5a,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.8090	0.000	1	109.7540	0.002	3	109.8007	0.145	16	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(H)2{1|N<3>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[5a,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	H(C[6]C[5a,6]C[6]H)	109.6148	0.027	4	109.6148	0.001	4	109.8007	0.145	16	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5a,6]HH)(H)2{4|C<3>}	H(C[6]C[5a,6]C[6]H)	109.4075	0.036	2	109.4075	0.001	2	109.9666	0.528	27	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)2{1|S<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5a,6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	109.5640	0.108	6	109.5640	0.012	6	109.9666	0.528	27	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	111.4292	0.733	4	111.4292	0.537	4	109.9666	0.528	27	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.9453	0.198	4	109.9453	0.039	4	109.9666	0.528	27	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|N<2>}	C[6](C[6,6]C[6]2O[6])(C[6]C[5a,6]HH)(H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	110.2855	0.039	2	110.2855	0.002	2	109.9666	0.528	27	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5a,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5a,6]C[6]H)	109.9870	0.010	2	109.9870	0.000	2	109.9666	0.528	27	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5a,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|S<2>,3|C<4>}	H(C[6]C[5a,6]C[6]H)	109.7357	0.053	4	109.7357	0.003	4	109.9666	0.528	27	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5a,6]HH)(H)2{1|C<2>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	109.3745	0.019	2	109.3745	0.000	2	109.9666	0.528	27	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|N<3>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.1650	0.000	1	109.1650	0.000	1	109.9666	0.528	27	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5,5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5,5a,6]C[5a])(C[6]C[6]HH)(H)2{1|Se<3>,1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[5,6]HH)(H)2{3|C<3>}	H(C[6]C[5a,6]C[6]H)	109.6000	0.117	4	109.6000	0.014	4	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	109.6285	0.023	2	109.6285	0.001	2	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	109.4313	0.079	3	109.4766	0.007	5	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	109.5445	0.011	2	109.4766	0.007	5	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HO)(H)2{1|C<4>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	109.2885	0.124	4	109.2885	0.015	4	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>}	H(C[6]C[5a,6]C[6]H)	110.3110	0.025	2	110.1377	0.040	4	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5a,6]C[6]H)	109.9645	0.028	2	110.1377	0.040	4	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]S[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6]S[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|S<2>}	H(C[6]C[5a,6]C[6]H)	109.7615	0.023	2	109.7615	0.001	2	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(H)2{3|C<3>}	H(C[6]C[5a,6]C[6]H)	109.9371	0.213	13	109.9371	0.046	13	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6a]N[5a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]HH)(H)2{1|N<2>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	107.8485	3.697	2	107.8485	13.671	2	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6255	0.166	23	109.6255	0.028	23	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	110.5070	0.368	2	110.5070	0.135	2	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|B<3>,1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.3145	0.100	4	109.5076	0.534	128	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|Br<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{3|C<3>}	H(C[6]C[5a,6]C[6]H)	110.1610	0.000	1	109.5076	0.534	128	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.4721	0.135	26	109.5076	0.534	128	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	109.3890	0.017	2	109.5076	0.534	128	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|I<1>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.5756	0.225	7	109.5076	0.534	128	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6458	0.530	6	109.5076	0.534	128	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6655	0.045	2	109.5076	0.534	128	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	109.6450	0.033	2	109.5076	0.534	128	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6560	0.020	2	109.5076	0.534	128	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.9835	0.028	2	109.5076	0.534	128	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.5953	1.995	15	109.5076	0.534	128	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7985	0.237	4	109.5076	0.534	128	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	109.6370	0.000	1	109.5076	0.534	128	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.5370	0.024	2	109.5076	0.534	128	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{3|C<3>}	H(C[6]C[5a,6]C[6]H)	109.7520	0.028	2	109.5076	0.534	128	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.3766	0.385	46	109.5076	0.534	128	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	109.6540	0.037	2	109.5076	0.534	128	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.8660	0.011	2	109.5076	0.534	128	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	109.3420	0.016	2	109.3420	0.000	2	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,2|N<3>,3|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	109.7195	0.119	6	109.7195	0.014	6	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5,5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5,5a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.8835	0.186	4	109.8164	0.023	14	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5,5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5,5a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[5a,6]C[6]H)	109.7517	0.176	6	109.8164	0.023	14	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5,5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5,5a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.8465	0.006	4	109.8164	0.023	14	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[5,6]CH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[5,6]CH)(H)2{1|N<3>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	109.8300	0.021	2	109.8300	0.000	2	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|S<4>,2|C<4>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|H<1>,2|N<3>}	H(C[6]C[5a,6]C[6]H)	109.8750	0.023	2	109.8750	0.001	2	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.8280	0.118	3	109.8468	0.008	5	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[5a,6]C[6]H)	109.8750	0.020	2	109.8468	0.008	5	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	108.5310	1.387	2	108.5310	1.925	2	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[5a,6]C[6]H)	110.0770	0.000	1	110.1310	0.850	55	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.4465	0.114	4	110.1310	0.850	55	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	109.8180	0.000	1	110.1310	0.850	55	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.9479	0.138	16	110.1310	0.850	55	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>}	H(C[6]C[5a,6]C[6]H)	109.8430	0.020	2	110.1310	0.850	55	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[5a,6]C[6]H)	110.3825	0.543	4	110.1310	0.850	55	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	110.7315	0.315	2	110.1310	0.850	55	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[5a,6]C[6]H)	109.7300	0.074	2	110.1310	0.850	55	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[5a,6]C[6]H)	109.9257	0.071	4	110.1310	0.850	55	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|S<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[5a,6]C[6]H)	112.7600	3.220	2	110.1310	0.850	55	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[5a,6]C[6]H)	109.9890	0.025	2	110.1310	0.850	55	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>}	H(C[6]C[5a,6]C[6]H)	109.8830	0.021	2	110.1310	0.850	55	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7392	0.364	6	110.1310	0.850	55	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[5a,6]C[6]H)	109.9080	0.018	3	110.1310	0.850	55	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[5a,6]C[6]H)	112.4765	1.824	2	110.1310	0.850	55	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|S<1>}	H(C[6]C[5a,6]C[6]H)	110.0690	0.004	2	110.1310	0.850	55	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6635	0.018	2	109.7892	0.009	10	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.8206	0.079	8	109.7892	0.009	10	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5a,6]C[6]H)	110.2255	0.035	2	110.1190	0.016	20	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>}	H(C[6]C[5a,6]C[6]H)	110.0210	0.020	2	110.1190	0.016	20	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	110.0390	0.084	3	110.1190	0.016	20	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	110.2542	0.031	4	110.1190	0.016	20	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[5a,6]C[6]H)	110.0799	0.145	8	110.1190	0.016	20	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[5a,6]C[6]H)	110.1150	0.000	1	110.1190	0.016	20	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,1|S<2>}	H(C[6]C[5a,6]C[6]H)	106.1585	1.679	2	107.9960	5.462	4	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|S<2>}	H(C[6]C[5a,6]C[6]H)	109.8335	0.244	2	107.9960	5.462	4	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.8955	0.006	2	109.7940	0.176	107	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7921	0.424	105	109.7940	0.176	107	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,1|S<2>}	H(C[6]C[5a,6]C[6]H)	109.6675	0.047	2	109.6675	0.002	2	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]S[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2{1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]S[6]HH)(H)2{1|C<3>,1|S<2>}	H(C[6]C[5a,6]C[6]H)	109.3900	0.007	2	109.3900	0.000	2	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7390	0.004	2	109.7390	0.000	2	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	109.5927	0.011	3	109.5852	0.006	9	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6285	0.006	2	109.5852	0.006	9	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	109.5580	0.119	4	109.5852	0.006	9	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	109.5850	0.191	3	109.6071	0.212	81	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	109.5380	0.006	2	109.6071	0.212	81	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6072	0.268	20	109.6071	0.212	81	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{4|C<3>}	H(C[6]C[5a,6]C[6]H)	109.6958	0.069	4	109.6071	0.212	81	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.8257	0.101	3	109.6071	0.212	81	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.5025	0.699	30	109.6071	0.212	81	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	109.6915	0.012	2	109.6071	0.212	81	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	109.7690	0.204	12	109.6071	0.212	81	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{3|C<3>}	H(C[6]C[5a,6]C[6]H)	109.6512	0.088	5	109.6071	0.212	81	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]S[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|S<2>}	C[6](C[6]C[5a,6]HH)(C[6]S[6]HH)(H)2{2|C<3>}	H(C[6]C[5a,6]C[6]H)	108.9195	0.039	2	108.9195	0.002	2	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]N[5a,5a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]N[5a,5a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6035	0.040	2	109.6035	0.002	2	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.2395	0.022	2	109.2395	0.000	2	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]FH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]FH)(H)2{1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.3695	0.023	2	109.3695	0.001	2	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	111.2830	3.825	6	111.2830	14.631	6	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[5a,6]C[6]H)	109.8220	0.048	2	109.8220	0.002	2	109.7127	0.605	530	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>,2|O<2>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	110.0350	0.100	5	110.0350	0.010	5	109.9142	1.050	24	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	112.3095	0.100	2	111.1650	1.750	4	109.9142	1.050	24	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	110.0205	0.005	2	111.1650	1.750	4	109.9142	1.050	24	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	108.4320	2.679	2	108.4320	7.174	2	109.9142	1.050	24	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.8245	0.056	2	109.8245	0.003	2	109.9142	1.050	24	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.8240	0.037	2	109.8240	0.001	2	109.9142	1.050	24	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	109.6330	0.228	7	109.6604	0.042	9	109.9142	1.050	24	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	109.7565	0.019	2	109.6604	0.042	9	109.9142	1.050	24	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,5,6,6]HH)(H)2	C[6](N[5,5,6,6]C[5,5,6]C[5,6]2)(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,5,6,6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>}	C[6](N[5,5,6,6]C[5,5,6]C[5,6]2)(C[6]C[5a,6]HH)(H)2{2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.4405	0.022	2	109.4405	0.000	2	109.4405	0.000	2	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]N[6,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7510	0.006	2	109.7510	0.000	2	109.7412	0.002	23	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7748	0.024	5	109.7481	0.002	17	109.7412	0.002	23	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7370	0.053	12	109.7481	0.002	17	109.7412	0.002	23	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7070	0.024	4	109.7070	0.001	4	109.7412	0.002	23	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(Cl)(H)	C[6](C[6]C[6,6]ClH)(C[6]O[6]CC)(Cl)(H)	H(C[6]C[6,6]C[6]Cl)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(Cl)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]ClH)(C[6]O[6]CC)(Cl)(H){2|C<3>}	H(C[6]C[6,6]C[6]Cl)	108.5640	0.000	1	108.5640	0.000	1	108.5640	0.000	1	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:F-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(F)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]FH)(H)2	H(C[6]C[6,6]C[6]F)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(F)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]FH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]F)	109.5500	0.000	1	109.5500	0.000	1	109.5500	0.000	1	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9340	0.011	2	108.9340	0.000	2	108.9340	0.000	2	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9020	0.023	2	108.9020	0.001	2	108.3633	1.325	57	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0930	0.071	8	109.0930	0.005	8	108.3633	1.325	57	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2{1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.3733	0.748	3	107.7614	0.792	25	108.3633	1.325	57	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2{1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0635	0.104	2	107.7614	0.792	25	108.3633	1.325	57	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2{7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	107.5051	0.846	18	107.7614	0.792	25	108.3633	1.325	57	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2{7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	107.8485	0.006	2	107.7614	0.792	25	108.3633	1.325	57	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4043	1.540	3	109.0573	1.301	9	108.3633	1.325	57	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.5607	0.395	4	109.0573	1.301	9	108.3633	1.325	57	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2{3|O<2>,4|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0300	1.704	2	109.0573	1.301	9	108.3633	1.325	57	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[3,5]C[5]O[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[3,5]C[5]O[6])(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.8490	0.000	1	109.8490	0.000	1	108.3633	1.325	57	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	105.8435	0.924	2	105.8435	0.854	2	108.3633	1.325	57	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|Fe<10>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9920	2.492	2	108.9920	6.209	2	108.3633	1.325	57	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.3145	0.026	2	108.3145	0.001	2	108.3633	1.325	57	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.3773	0.083	3	109.3773	0.007	3	108.3633	1.325	57	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.6160	0.016	2	108.6160	0.000	2	108.3633	1.325	57	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0940	0.000	1	109.0940	0.000	1	108.3633	1.325	57	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3225	2.009	2	109.3225	4.036	2	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{1|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.5210	0.066	2	108.5210	0.004	2	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2240	0.044	2	108.7787	0.131	29	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8660	0.033	2	108.7787	0.131	29	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{1|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.9885	0.470	6	108.7787	0.131	29	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{1|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.6081	0.330	13	108.7787	0.131	29	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.8798	0.084	4	108.7787	0.131	29	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.5230	0.035	2	108.7787	0.131	29	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.4980	0.000	1	108.4980	0.000	1	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.3710	0.006	2	108.3710	0.000	2	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2600	1.946	2	109.2600	3.787	2	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.5055	0.243	4	109.5055	0.059	4	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0675	0.022	2	109.0675	0.000	2	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9550	0.033	2	109.2474	1.023	262	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.4340	0.062	2	109.2474	1.023	262	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1565	0.008	2	109.2474	1.023	262	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0878	0.541	109	109.2474	1.023	262	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0539	0.197	12	109.2474	1.023	262	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3034	0.790	31	109.2474	1.023	262	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2460	2.787	2	109.2474	1.023	262	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0640	0.000	1	109.2474	1.023	262	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3315	0.013	2	109.2474	1.023	262	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.3460	0.010	2	109.2474	1.023	262	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>,2|N<2>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.5995	0.013	2	109.2474	1.023	262	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.7820	0.083	2	109.2474	1.023	262	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|Br<1>,1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0812	0.450	4	109.2474	1.023	262	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|F<1>,1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.4672	0.591	13	109.2474	1.023	262	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3021	1.729	44	109.2474	1.023	262	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2635	0.228	11	109.2474	1.023	262	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|F<1>,1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.4693	0.112	3	109.2474	1.023	262	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.5487	0.118	4	109.2474	1.023	262	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	114.9980	0.666	2	109.2474	1.023	262	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.5355	0.050	2	109.2474	1.023	262	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2850	0.041	4	109.2474	1.023	262	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.3515	0.009	2	109.2474	1.023	262	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0823	0.322	4	109.2474	1.023	262	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0105	0.013	2	108.9166	0.024	10	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8092	0.072	6	108.9166	0.024	10	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1450	0.008	2	108.9166	0.024	10	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.1375	0.028	2	109.1375	0.001	2	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.6575	0.006	2	108.9110	0.078	42	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2980	0.086	4	108.9110	0.078	42	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.1490	0.027	2	108.9110	0.078	42	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.4980	0.027	2	108.9110	0.078	42	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9725	0.016	2	108.9110	0.078	42	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.9932	0.187	18	108.9110	0.078	42	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8866	0.137	12	108.9110	0.078	42	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.5850	0.016	2	108.5850	0.000	2	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.4330	0.038	3	108.2130	4.926	11	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1850	0.023	2	108.2130	4.926	11	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0147	0.103	4	108.2130	4.926	11	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|O<2>,4|C<3>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2{1|C<2>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	103.8075	1.216	2	108.2130	4.926	11	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.6962	0.118	4	109.6962	0.014	4	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6]HH)(H)2{3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.8385	0.046	4	108.8385	0.002	4	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6,6]C[6]H)	109.3070	0.020	4	109.3070	0.000	4	109.1262	0.926	385	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]BrH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Br)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]BrH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Br)(H){2|C<3>}	H(C[6]C[6,6]C[6]H)	109.9818	0.250	4	109.9818	0.063	4	109.9818	0.063	4	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3795	0.015	2	109.4422	0.030	12	109.6071	0.070	23	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.4547	0.188	10	109.4422	0.030	12	109.6071	0.070	23	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Cl)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Cl)(H){2|C<3>}	H(C[6]C[6,6]C[6]H)	109.4530	0.132	2	109.7870	0.054	11	109.6071	0.070	23	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Cl)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Cl)(H){2|C<3>}	H(C[6]C[6,6]C[6]H)	109.8898	0.193	6	109.7870	0.054	11	109.6071	0.070	23	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Cl)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2{1|O<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Cl)(H){2|C<3>}	H(C[6]C[6,6]C[6]H)	109.8040	0.157	3	109.7870	0.054	11	109.6071	0.070	23	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9780	0.010	2	108.9780	0.000	2	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	108.8960	0.031	2	108.8960	0.001	2	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.0385	0.054	4	109.0385	0.003	4	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	110.1350	0.031	2	109.6623	0.299	4	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1895	0.053	2	109.6623	0.299	4	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.3023	0.052	6	109.4338	0.032	10	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|N<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.6310	0.063	4	109.4338	0.032	10	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<4>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.2500	0.052	3	109.0063	0.038	10	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	108.9019	0.118	7	109.0063	0.038	10	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]N[6])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6,6]C[6]H)	108.1125	0.019	2	108.1125	0.000	2	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.3230	0.004	2	109.3230	0.000	2	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3990	0.020	2	109.3990	0.000	2	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|H<1>,6|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9665	0.268	2	108.9665	0.072	2	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|P<4>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	110.2090	0.024	2	109.2802	0.564	6	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.8157	0.278	4	109.2802	0.564	6	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	107.9640	0.021	2	108.6497	0.302	6	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.1480	0.008	2	108.6497	0.302	6	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	108.8370	0.030	2	108.6497	0.302	6	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6,6]C[6]H)	109.5060	0.000	1	109.5060	0.000	1	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6,6]C[6]H)	108.3775	0.012	2	108.3775	0.000	2	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.0840	0.016	2	108.7389	0.095	10	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8003	0.077	6	108.7389	0.095	10	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	108.2095	0.036	2	108.7389	0.095	10	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|H<1>,6|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8670	0.178	4	108.8670	0.032	4	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1395	0.103	2	109.2119	0.438	12	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.5615	0.206	4	109.2119	0.438	12	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1965	0.005	2	109.2119	0.438	12	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.9610	1.017	2	109.2119	0.438	12	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.8515	0.032	2	109.2119	0.438	12	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8590	0.000	1	108.8590	0.000	1	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.0048	0.128	4	109.0048	0.016	4	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|N<3>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.3306	0.039	5	109.3306	0.002	5	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2325	0.022	2	109.1169	0.999	14	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0250	2.060	4	109.1169	0.999	14	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3455	0.008	2	109.1169	0.999	14	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9780	0.018	2	109.1169	0.999	14	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1063	0.134	4	109.1169	0.999	14	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.3355	0.019	2	109.3355	0.000	2	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Al<4>,1|Si<4>,1|P<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8803	0.234	4	109.1355	0.207	208	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|B<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.4795	0.011	2	109.1355	0.207	208	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Br<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4260	0.016	2	109.1355	0.207	208	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6,6]C[6]H)	108.5670	0.071	2	109.1355	0.207	208	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<4>,2|C<3>}	H(C[6]C[6,6]C[6]H)	108.9472	0.174	13	109.1355	0.207	208	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<3>,2|C<3>}	H(C[6]C[6,6]C[6]H)	108.4055	0.054	4	109.1355	0.207	208	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|P<4>,2|C<3>}	H(C[6]C[6,6]C[6]H)	110.0490	0.313	2	109.1355	0.207	208	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.6680	0.048	4	109.1355	0.207	208	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.4223	0.360	3	109.1355	0.207	208	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3077	0.760	10	109.1355	0.207	208	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.1090	0.017	2	109.1355	0.207	208	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.2675	0.039	2	109.1355	0.207	208	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9997	0.065	6	109.1355	0.207	208	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9415	0.071	2	109.1355	0.207	208	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8105	0.268	6	109.1355	0.207	208	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.3420	0.000	1	109.1355	0.207	208	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.4160	0.000	1	109.1355	0.207	208	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0220	0.052	3	109.1355	0.207	208	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|P<4>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.8798	0.717	4	109.1355	0.207	208	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6,6]C[6]H)	109.3980	0.000	1	109.1355	0.207	208	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.4007	0.299	7	109.1355	0.207	208	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8725	0.249	12	109.1355	0.207	208	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.6120	0.000	1	109.1355	0.207	208	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.0170	0.006	2	109.1355	0.207	208	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.2705	0.157	4	109.1355	0.207	208	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1990	0.000	1	109.1355	0.207	208	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.2460	0.221	47	109.1355	0.207	208	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{3|C<3>}	H(C[6]C[6,6]C[6]H)	108.8683	0.850	18	109.1355	0.207	208	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0090	0.016	2	109.1355	0.207	208	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.4115	0.033	2	109.1355	0.207	208	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9020	0.008	2	109.1355	0.207	208	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.4230	0.042	2	109.1355	0.207	208	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.0665	0.008	2	109.1355	0.207	208	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1265	0.019	2	109.1355	0.207	208	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.6943	0.034	6	109.1355	0.207	208	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.0285	0.054	2	109.1355	0.207	208	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9845	0.013	2	109.1355	0.207	208	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.9585	0.035	2	109.1355	0.207	208	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3606	0.320	12	109.1355	0.207	208	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.1760	0.000	1	109.1355	0.207	208	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9160	0.014	2	109.1355	0.207	208	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2347	0.183	3	109.1355	0.207	208	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.0595	0.016	2	109.1737	0.021	4	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2880	0.105	2	109.1737	0.021	4	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Zr<7>,1|C<3>,1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2{1|Al<4>,1|Zr<7>,1|C<3>,1|C<4>}	H(C[6]C[6,6]C[6]H)	109.5027	0.157	4	109.5027	0.025	4	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.3618	0.268	5	109.1081	1.184	9	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6,6]C[6]H)	108.0580	1.561	2	109.1081	1.184	9	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.5240	1.969	2	109.1081	1.184	9	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{2|C<3>}	H(C[6]C[6,6]C[6]H)	109.6960	0.016	2	109.7158	0.051	6	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{2|C<3>}	H(C[6]C[6,6]C[6]H)	109.8170	0.010	2	109.7158	0.051	6	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{2|C<3>}	H(C[6]C[6,6]C[6]H)	109.6345	0.470	2	109.7158	0.051	6	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{2|C<3>}	H(C[6]C[6,6]C[6]H)	109.6010	0.024	2	109.6010	0.001	2	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6,6]C[6]H)	109.7945	0.021	2	109.8258	0.028	5	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{2|C<3>}	H(C[6]C[6,6]C[6]H)	109.5760	0.000	1	109.8258	0.028	5	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6,6]C[6]H)	109.9820	0.016	2	109.8258	0.028	5	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6,6]C[6]H)	107.0375	1.603	2	107.0375	2.570	2	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]SeH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Se<2>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]HH)(C[6]O[6]SeH)(H)2{2|C<3>}	H(C[6]C[6,6]C[6]H)	109.8030	0.034	2	109.8030	0.001	2	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]N[6]H)(C[6]C[6,6]HH)(H)2{1|Ru<5>,1|N<3>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.4360	0.013	2	109.4360	0.000	2	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[5,6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.6805	0.005	4	109.6805	0.000	4	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2780	0.043	3	109.2780	0.002	3	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.7523	0.662	11	109.7523	0.438	11	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3695	0.026	2	109.2706	0.152	101	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.4020	0.013	2	109.2706	0.152	101	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9270	0.000	1	109.2706	0.152	101	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.0570	0.199	4	109.2706	0.152	101	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.2068	0.082	6	109.2706	0.152	101	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9015	0.035	4	109.2706	0.152	101	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.4003	0.121	16	109.2706	0.152	101	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1485	0.029	2	109.2706	0.152	101	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.3520	0.522	26	109.2706	0.152	101	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|Ge<2>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.6905	0.011	2	109.2706	0.152	101	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|Ge<3>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.4232	0.066	5	109.2706	0.152	101	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|Ir<6>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.3985	0.033	2	109.2706	0.152	101	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|Li<4>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.5362	1.035	4	109.2706	0.152	101	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3013	0.007	3	109.2706	0.152	101	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.2454	0.203	20	109.2706	0.152	101	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3430	0.020	2	109.2706	0.152	101	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.2410	0.000	1	109.2410	0.000	1	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.3653	0.133	38	109.5354	0.474	96	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.6596	0.877	56	109.5354	0.474	96	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2895	0.025	2	109.5354	0.474	96	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.2687	0.122	3	109.1443	0.032	6	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0200	0.139	3	109.1443	0.032	6	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.3110	0.021	2	109.3110	0.000	2	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6,6]C[6]H)	108.9480	0.103	2	108.9480	0.011	2	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|N<3>,2|N<2>}	H(C[6]C[6,6]C[6]H)	109.3920	0.051	2	109.3920	0.003	2	109.2446	0.322	579	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1563	0.081	3	109.1563	0.007	3	109.1563	0.007	3	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1070	0.037	2	109.1070	0.001	2	109.1070	0.001	2	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(Br)(H)	C[6](C[6]C[6,6a]BrH)(C[6]C[6]BrH)(Br)(H)	H(C[6]C[6,6a]C[6]Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(Br)(H){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]BrH)(C[6]C[6]BrH)(Br)(H){1|Br<1>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]Br)	107.3165	0.960	2	107.3165	0.921	2	107.3165	0.921	2	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6,6a]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]Br)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(Br)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]BrH)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]Br)	108.5197	0.215	3	108.5197	0.046	3	108.5197	0.046	3	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(Cl)(H)	C[6](C[6]C[6,6a]ClH)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6,6a]C[6]Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(Cl)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]ClH)(C[6]C[6]HH)(Cl)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]Cl)	108.9290	0.000	1	108.9290	0.000	1	108.7650	0.054	2	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(Cl)(H)	C[6](C[6]C[6,6a]ClH)(C[6]C[6]HO)(Cl)(H)	H(C[6]C[6,6a]C[6]Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(Cl)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]ClH)(C[6]C[6]HO)(Cl)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]Cl)	108.6010	0.000	1	108.6010	0.000	1	108.7650	0.054	2	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6,6a]ClH)(C[6]O[6]CH)(H)2	H(C[6]C[6,6a]C[6]Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(Cl)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]ClH)(C[6]O[6]CH)(H)2{2|C<3>}	H(C[6]C[6,6a]C[6]Cl)	108.3830	0.000	1	108.3830	0.000	1	108.3830	0.000	1	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6,6a]HH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0180	0.038	2	109.0180	0.001	2	109.6203	1.729	29	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9435	0.005	2	109.7844	3.414	13	109.6203	1.729	29	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2{1|N<3>,2|C<3>,2|F<1>}	H(C[6]C[6,6a]C[6]H)	109.4290	0.006	2	109.7844	3.414	13	109.6203	1.729	29	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2{1|N<4>,2|C<3>,2|F<1>}	H(C[6]C[6,6a]C[6]H)	113.0835	2.514	2	109.7844	3.414	13	109.6203	1.729	29	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2{2|Cl<1>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	110.4415	0.469	2	109.7844	3.414	13	109.6203	1.729	29	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.6804	1.005	5	109.7844	3.414	13	109.6203	1.729	29	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]N[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]N[6])(C[6]C[6,6a]HH)(H)2{2|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	109.8125	0.906	4	109.8125	0.821	4	109.6203	1.729	29	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|S<4>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9952	0.047	4	108.9952	0.002	4	109.6203	1.729	29	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6,6a]HH)(H)2{2|Br<1>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2620	0.068	2	109.2620	0.005	2	109.6203	1.729	29	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3]2O[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[3,6]C[3]2O[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	110.4145	0.540	2	110.4145	0.291	2	109.6203	1.729	29	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5860	0.610	2	109.5860	0.372	2	109.6203	1.729	29	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(H)2	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6,6a]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6a]C[6]H)	110.1045	0.926	2	110.1045	0.857	2	109.2155	0.426	8	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(H)2	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,2|N<3>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9412	0.054	4	108.9412	0.003	4	109.2155	0.426	8	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(H)2	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6,6a]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6a]C[6]H)	108.8750	0.037	2	108.8750	0.001	2	109.2155	0.426	8	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[4x6]HH)(H)2	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[4x6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	108.2630	0.000	1	108.5325	0.124	8	108.5325	0.124	8	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[4x6]HH)(H)2	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[4x6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6,6a]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	108.5710	0.362	7	108.5325	0.124	8	108.5325	0.124	8	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2	C[6](C[5,5,6]C[5,5,6]2C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,5,6]C[5,5,6]2C[6])(C[6]C[6,6a]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6a]C[6]H)	108.5255	0.030	2	108.5255	0.001	2	109.2403	0.075	18	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6,6a]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	109.2505	0.006	2	109.3173	0.003	6	109.2403	0.075	18	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2{1|O<2>,2|C<4>,3|C<3>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6,6a]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	109.3508	0.025	4	109.3173	0.003	6	109.2403	0.075	18	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2	C[6](C[5,5,6]C[5,5,6]C[5]N[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5]N[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>,4|C<4>}	H(C[6]C[6,6a]C[6]H)	109.4860	0.007	2	109.3980	0.006	6	109.2403	0.075	18	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2	C[6](C[5,5,6]C[5,5,6]C[5]N[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5]N[5])(C[6]C[6,6a]HH)(H)2{2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3540	0.055	4	109.3980	0.006	6	109.2403	0.075	18	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3145	0.012	2	109.3145	0.000	2	109.2403	0.075	18	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2{3|C<3>,3|C<4>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1770	0.004	2	109.1770	0.000	2	109.2403	0.075	18	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2910	0.000	1	109.2910	0.000	1	109.3233	0.239	10	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6,6a]HH)(H)2{1|N<3>,2|C<3>,4|C<4>}	H(C[6]C[6,6a]C[6]H)	108.9405	0.053	2	108.9405	0.003	2	109.3233	0.239	10	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6a]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2905	0.060	2	109.2905	0.004	2	109.3233	0.239	10	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6a]C[6]H)	109.4960	0.652	5	109.4960	0.425	5	109.3233	0.239	10	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[5,6]HH)(H)2{2|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6,6a]C[6]H)	108.6975	0.053	2	108.6975	0.003	2	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5,6]C[5,6a]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5,6a]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8510	0.000	1	108.8510	0.000	1	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1452	0.230	12	109.1452	0.053	12	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4990	0.000	1	109.4990	0.000	1	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6200	0.000	1	109.6200	0.000	1	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(H)2{2|C<4>,2|H<1>,2|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8715	0.032	2	109.8715	0.001	2	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	108.9185	3.774	2	108.9185	14.242	2	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1115	0.009	2	109.1352	0.176	49	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9095	0.032	2	109.1352	0.176	49	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8690	0.011	2	109.1352	0.176	49	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.7196	0.098	5	109.1352	0.176	49	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3060	0.000	1	109.1352	0.176	49	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|O<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3640	0.300	5	109.1352	0.176	49	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{2|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2235	0.018	2	109.1352	0.176	49	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.7460	0.000	1	109.1352	0.176	49	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2880	0.358	3	109.1352	0.176	49	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0074	0.276	7	109.1352	0.176	49	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8445	0.052	2	109.1352	0.176	49	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4110	0.000	1	109.1352	0.176	49	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.5635	0.021	2	109.1352	0.176	49	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0035	0.034	4	109.1352	0.176	49	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4205	0.768	6	109.1352	0.176	49	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	109.3090	0.000	1	109.1352	0.176	49	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0400	0.006	2	109.1352	0.176	49	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8580	0.000	1	109.1352	0.176	49	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7933	0.166	4	108.7933	0.028	4	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[6a]P[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|P<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[6a]P[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,7|C<3>}	H(C[6]C[6,6a]C[6]H)	110.1540	0.039	4	110.1540	0.001	4	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<2>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6,6a]HH)(H)2{3|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	109.2105	0.009	2	109.2105	0.000	2	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4655	0.008	2	109.5224	0.157	8	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9705	0.005	2	109.5224	0.157	8	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6a]HH)(H)2{1|S<3>,1|S<4>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	109.8268	0.191	4	109.5224	0.157	8	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4632	0.305	6	109.2849	0.073	18	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2550	0.016	2	109.2849	0.073	18	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1840	0.233	10	109.2849	0.073	18	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8930	0.000	1	109.3432	0.361	5	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HH)(H)2{1|N<3>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	110.0010	0.017	2	109.3432	0.361	5	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HH)(H)2{5|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9105	0.011	2	109.3432	0.361	5	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|Br<1>,1|O<2>,4|C<3>}	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5435	0.032	2	109.5435	0.001	2	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3030	0.058	2	108.9746	0.428	14	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,1|O<1>,1|S<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5182	0.097	4	108.9746	0.428	14	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1130	0.038	2	108.9746	0.428	14	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2{2|H<1>,2|O<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	107.6675	0.479	2	108.9746	0.428	14	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2{1|O<2>,4|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.5390	0.018	2	108.9746	0.428	14	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1630	0.004	2	108.9746	0.428	14	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,1|O<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	108.7235	0.023	2	109.3069	0.248	8	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6,6a]HH)(H)2{1|N<2>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9800	0.034	2	109.3069	0.248	8	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6,6a]HH)(H)2{1|N<2>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.7620	0.068	4	109.3069	0.248	8	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1665	0.032	2	109.3363	0.485	6	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,1|O<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.6565	0.012	2	109.3363	0.485	6	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(H)2{1|N<3>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	110.1860	0.014	2	109.3363	0.485	6	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.7755	0.143	13	109.6661	0.038	23	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6,6a]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5238	0.158	10	109.6661	0.038	23	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,6|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0980	0.000	1	109.0980	0.000	1	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]HH)(H)2{2|C<4>,3|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0357	0.102	9	109.0357	0.010	9	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|N<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.7290	0.154	4	108.7290	0.024	4	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(H)2{2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	108.2220	0.051	2	108.5390	0.135	4	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(H)2{3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8560	0.021	2	108.5390	0.135	4	109.2393	0.302	182	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{3|C<3>,4|C<4>}	H(C[6]C[6,6a]C[6]H)	108.3240	0.031	2	108.3240	0.001	2	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[4,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[4,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{3|C<3>,4|C<4>}	H(C[6]C[6,6a]C[6]H)	108.5055	0.008	2	108.5055	0.000	2	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4245	0.050	2	109.4245	0.003	2	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6a]C[6]H)	109.2460	0.004	2	109.2460	0.000	2	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{2|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.6135	0.036	2	109.0418	0.682	262	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.7580	0.102	6	109.0418	0.682	262	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9903	0.103	10	109.0418	0.682	262	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6a]C[6]H)	108.7865	0.077	2	109.0418	0.682	262	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	108.6240	0.000	1	109.0418	0.682	262	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	109.0260	0.023	2	109.0418	0.682	262	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	108.9063	0.155	6	109.0418	0.682	262	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	109.0368	0.869	231	109.0418	0.682	262	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6a]C[6]H)	109.0425	0.021	2	109.0418	0.682	262	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9960	0.010	2	108.8888	0.016	4	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	108.7815	0.023	2	108.8888	0.016	4	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0680	0.039	3	108.7176	0.141	41	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2{3|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	108.6762	0.108	4	108.7176	0.141	41	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6a]C[6]H)	108.6287	0.045	4	108.7176	0.141	41	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.4085	1.051	2	108.7176	0.141	41	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	108.6854	0.505	12	108.7176	0.141	41	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6a]C[6]H)	108.7526	0.288	14	108.7176	0.141	41	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2{3|C<3>,4|C<4>}	H(C[6]C[6,6a]C[6]H)	108.7095	0.019	2	108.7176	0.141	41	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6,6a]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3550	0.044	2	109.3550	0.002	2	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.7360	0.027	2	108.7120	0.008	6	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.7960	0.017	2	108.7120	0.008	6	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.6040	0.034	2	108.7120	0.008	6	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	108.9485	0.038	4	108.8637	0.487	205	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4915	0.093	4	108.8637	0.487	205	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0893	0.814	26	108.8637	0.487	205	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4010	0.034	2	108.8637	0.487	205	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.3885	0.011	2	108.8637	0.487	205	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	106.5340	3.445	2	108.8637	0.487	205	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.9035	1.108	2	108.8637	0.487	205	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8403	0.793	3	108.8637	0.487	205	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{3|C<3>,4|C<4>}	H(C[6]C[6,6a]C[6]H)	109.1260	0.038	2	108.8637	0.487	205	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.7240	0.065	2	108.8637	0.487	205	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|O<2>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	108.3815	0.049	2	108.8637	0.487	205	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	108.6360	0.000	1	108.8637	0.487	205	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6a]C[6]H)	108.5601	0.151	7	108.8637	0.487	205	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{3|C<3>,4|C<4>}	H(C[6]C[6,6a]C[6]H)	108.8700	0.000	1	108.8637	0.487	205	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{3|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.7450	0.007	2	108.8637	0.487	205	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|C<2>,2|C<3>,4|C<4>}	H(C[6]C[6,6a]C[6]H)	108.3055	0.009	2	108.8637	0.487	205	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8468	0.125	6	108.8637	0.487	205	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|S<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0185	0.060	2	108.8637	0.487	205	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.5247	0.035	3	108.8637	0.487	205	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6a]C[6]H)	108.9720	0.390	4	108.8637	0.487	205	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	108.5688	0.190	9	108.8637	0.487	205	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|N<2>,2|C<3>,4|C<4>}	H(C[6]C[6,6a]C[6]H)	108.4935	0.067	2	108.8637	0.487	205	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8920	0.044	2	108.8637	0.487	205	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[6,6a]C[6]H)	108.8010	0.031	2	108.8637	0.487	205	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.6780	0.020	2	108.8637	0.487	205	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	108.9354	1.158	11	108.8637	0.487	205	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6a]C[6]H)	108.9535	0.776	49	108.8637	0.487	205	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{3|C<3>,4|C<4>}	H(C[6]C[6,6a]C[6]H)	108.8076	0.285	49	108.8637	0.487	205	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2435	0.015	2	109.2435	0.000	2	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0110	0.021	2	109.0110	0.000	2	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6a]HH)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1730	0.028	2	109.1730	0.001	2	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.7610	0.025	4	108.6810	0.032	5	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	108.3610	0.000	1	108.6810	0.032	5	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9365	0.008	2	109.0868	0.086	6	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8615	0.018	2	109.0868	0.086	6	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4625	0.005	2	109.0868	0.086	6	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5727	0.104	4	109.5727	0.011	4	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6a]HH)(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	108.8555	0.040	2	108.8624	0.020	7	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(H)2{2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	108.8652	0.173	5	108.8624	0.020	7	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(H)2{2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1663	0.024	3	109.1663	0.001	3	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	108.8010	0.021	2	108.8010	0.000	2	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6a]C[6]H)	108.8985	0.059	8	108.8985	0.003	8	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6a]C[6]H)	108.7073	0.257	4	108.7073	0.066	4	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]HH)(H)2{1|O<2>,5|C<3>}	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]HH)(H)2{1|O<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	112.4305	2.627	2	112.4305	6.901	2	108.9566	0.568	575	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1835	0.046	2	109.1720	0.194	20	109.1720	0.194	20	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2{1|C<4>,1|H<1>,1|O<2>,2|O<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2095	0.024	4	109.1720	0.194	20	109.1720	0.194	20	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2{1|H<1>,1|O<2>,2|O<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9915	0.113	4	109.1720	0.194	20	109.1720	0.194	20	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2{1|C<4>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1863	0.099	4	109.1720	0.194	20	109.1720	0.194	20	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0155	0.018	2	109.1720	0.194	20	109.1720	0.194	20	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.6540	1.718	2	109.1720	0.194	20	109.1720	0.194	20	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2{1|C<4>,2|H<1>,2|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0925	0.035	2	109.1720	0.194	20	109.1720	0.194	20	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]BrH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(Br)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]BrH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(Br)(H){2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8460	0.000	1	109.8460	0.000	1	109.8337	0.004	3	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(Br)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(Br)(H){2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8275	0.087	2	109.8275	0.008	2	109.8337	0.004	3	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(Cl)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(Cl)(H){2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3940	0.025	2	109.3940	0.001	2	109.3940	0.001	2	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[3x6,6a]C[6a,6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[3x6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[3x6,6a]C[6a,6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[3x6]HH)(H)2{1|C<5>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8020	0.075	2	109.8020	0.006	2	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9085	0.025	2	108.9085	0.001	2	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9990	0.010	2	108.9475	0.109	8	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.5540	0.018	2	108.9475	0.109	8	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8305	0.005	2	108.9475	0.109	8	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4065	0.043	2	108.9475	0.109	8	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HO)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HO)(H)2{1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.4077	0.073	4	108.4077	0.005	4	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[5,6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[5,6]CH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.7365	0.029	4	109.7365	0.001	4	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[5,6]HH)(H)2{1|P<4>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3350	0.000	1	109.4232	0.003	5	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[5,6]HH)(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4453	0.028	4	109.4232	0.003	5	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|Fe<10>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8025	0.030	2	109.8025	0.001	2	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6,6a]HH)(H)2{5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5557	0.042	3	109.5557	0.002	3	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.6350	0.011	2	109.5983	1.155	6	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	110.5845	1.230	2	109.5983	1.155	6	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5755	0.680	2	109.5983	1.155	6	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]HH)(H)2{1|N<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	111.5415	6.609	2	111.5415	43.683	2	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[5a,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[5a,6]HH)(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6510	0.007	2	109.4352	1.346	16	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[5a,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[5a,6]HH)(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2960	0.025	2	109.4352	1.346	16	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[5a,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[5a,6]HH)(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4224	1.351	12	109.4352	1.346	16	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6,6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3984	0.139	8	109.3984	0.019	8	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6,6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6905	1.374	41	109.6905	1.889	41	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[3x6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[3x6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.2290	0.004	2	108.8726	0.119	20	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[3x6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[3x6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0301	0.134	16	108.8726	0.119	20	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[3x6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[3x6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	108.2565	0.052	2	108.8726	0.119	20	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5548	0.083	6	109.2814	0.078	14	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9765	0.022	2	109.2814	0.078	14	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1808	0.183	4	109.2814	0.078	14	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9675	0.013	2	109.2814	0.078	14	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6,6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3336	0.280	18	109.5247	0.545	114	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6,6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5606	0.791	96	109.5247	0.545	114	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[5,6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)2(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[5,6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)2(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2930	0.007	2	109.2307	0.012	3	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[5,6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)2(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[5,6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)2(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1060	0.000	1	109.2307	0.012	3	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]CC)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6a]CC)(C[6]C[6,6a]HH)(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2225	0.015	2	109.2225	0.000	2	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6,6a]HH)(H)2{5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3040	0.030	2	109.2095	0.012	4	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6,6a]HH)(H)2{5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1150	0.007	2	109.2095	0.012	4	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6,6a]HH)(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2750	0.041	2	109.5561	0.028	10	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6,6a]HH)(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6264	0.088	8	109.5561	0.028	10	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)2(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)2(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	110.2980	1.863	4	110.2980	3.472	4	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)2(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)2(H)2{1|C<3>,2|N<2>}	H(C[6]C[6,6a]C[6]H)	110.2432	0.752	12	110.2432	0.566	12	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8540	0.000	1	108.9268	0.040	11	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8705	0.329	4	108.9268	0.040	11	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	109.0550	0.028	2	108.9268	0.040	11	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	108.9373	0.096	4	108.9268	0.040	11	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.2595	0.059	2	108.7405	0.310	4	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	109.2215	0.012	2	108.7405	0.310	4	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5361	0.168	8	109.5361	0.028	8	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2{2|C<3>}	H(C[6]C[6,6a]C[6]H)	110.1112	1.266	4	110.1112	1.603	4	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[3]O[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[3]O[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3160	0.000	1	109.3160	0.000	1	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]BrH)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]BrH)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0660	0.041	2	108.6573	0.250	4	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]BrH)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]BrH)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|O<2>}	H(C[6]C[6,6a]C[6]H)	108.2485	0.284	2	108.6573	0.250	4	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]ClH)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]ClH)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0620	0.000	1	115.4053	139.005	3	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]ClH)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]ClH)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|O<2>}	H(C[6]C[6,6a]C[6]H)	118.5770	14.753	2	115.4053	139.005	3	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5]C[6]F)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[6](C[6]C[5]C[6]F)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3815	0.043	2	109.3815	0.002	2	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6,6a]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.1380	0.028	2	108.2363	0.029	3	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6,6a]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.4330	0.000	1	108.2363	0.029	3	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5]O[6]C)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6](C[6]C[5]O[6]C)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4670	0.047	2	109.4670	0.002	2	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0827	0.040	3	109.0827	0.002	3	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.6970	0.008	2	108.6970	0.000	2	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[3,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[3,6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	108.9890	0.017	2	108.9890	0.000	2	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[4,6]FH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[4,6]FH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	108.8010	0.014	2	108.8010	0.000	2	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[4,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[4,6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	108.9345	0.029	2	108.9345	0.001	2	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]CH)(H)2{1|C<4>,1|S<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3445	0.071	2	109.3445	0.005	2	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8752	0.027	4	108.9554	0.016	14	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2{1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9365	0.008	2	108.9554	0.016	14	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0002	0.152	8	108.9554	0.016	14	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HI)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|I<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HI)(H)2{2|C<3>,2|O<2>}	H(C[6]C[6,6a]C[6]H)	108.1140	0.218	2	108.1140	0.047	2	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HO)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HO)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	108.6280	0.044	2	108.6280	0.002	2	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]CH)(H)2{1|C<4>,1|S<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8815	0.046	2	108.8815	0.002	2	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	109.9362	1.190	6	109.7332	1.154	8	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2{2|C<3>,2|S<2>}	H(C[6]C[6,6a]C[6]H)	109.1245	0.050	2	109.7332	1.154	8	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]2C)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]2C)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9365	0.008	2	108.9365	0.000	2	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3279	0.163	12	109.3279	0.027	12	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]BrH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]BrH)(H)2{1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8195	0.026	2	108.7689	0.026	14	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]BrH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]BrH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.7605	0.175	12	108.7689	0.026	14	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<2>,2|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9210	0.335	2	108.9629	0.185	27	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9237	0.477	20	108.9629	0.185	27	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9780	0.054	3	108.9629	0.185	27	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3740	0.089	2	108.9629	0.185	27	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]CF)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CF)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9010	0.414	4	108.9010	0.171	4	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.9405	1.351	2	109.4279	1.606	80	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8535	0.026	2	109.4279	1.606	80	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|N<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.5737	0.748	10	109.4279	1.606	80	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8274	1.059	16	109.4279	1.606	80	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.7651	1.329	36	109.4279	1.606	80	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	110.0280	0.156	3	109.4279	1.606	80	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8700	0.000	1	109.4279	1.606	80	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2950	0.575	6	109.4279	1.606	80	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	111.9670	2.613	2	109.4279	1.606	80	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.7335	0.016	2	109.4279	1.606	80	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]CN)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CN)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1575	0.019	2	109.5813	3.695	7	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]CN)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<4>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CN)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	110.5630	4.398	2	109.5813	3.695	7	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]CN)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CN)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9210	0.000	1	109.5813	3.695	7	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]CN)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CN)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3535	0.021	2	109.5813	3.695	7	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8780	0.031	2	108.8374	0.033	15	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2{1|N<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.6623	0.109	3	108.8374	0.033	15	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8818	0.191	10	108.8374	0.033	15	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]CS)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|S<2>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CS)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2005	0.016	2	109.2005	0.000	2	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]Cl2)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|Cl<1>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]Cl2)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.7338	0.203	6	108.7338	0.041	6	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClC)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClC)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.2355	0.015	2	108.8145	0.455	4	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClC)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClC)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3935	0.152	2	108.8145	0.455	4	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(H)2{1|Cl<1>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9345	0.019	2	109.3491	1.074	8	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	110.9830	0.363	2	109.3491	1.074	8	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.7395	0.269	4	109.3491	1.074	8	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]FH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]FH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1237	0.353	6	109.1713	0.103	8	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]FH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|F<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]FH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3140	0.218	2	109.1713	0.103	8	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	107.8835	0.009	2	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8028	0.104	4	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8042	0.026	4	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8790	0.008	2	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4106	1.168	8	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9945	0.012	2	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1725	0.021	2	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.7867	1.259	15	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.6918	0.229	5	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7845	0.022	2	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2745	0.070	2	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7764	0.423	12	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1065	0.043	2	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0866	0.419	12	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6837	0.157	3	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9352	0.096	11	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9200	0.255	4	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.6530	2.990	2	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.4000	0.030	2	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0099	1.007	20	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1910	0.031	2	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0106	0.276	8	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9398	0.167	10	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9604	0.178	39	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<4>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.5715	0.022	2	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8140	1.447	2	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9247	0.059	6	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|B<3>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0345	0.138	2	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	109.2030	0.106	4	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8401	0.498	68	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0345	0.018	2	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8525	0.012	2	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.7275	0.569	2	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	109.0060	0.010	2	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9283	0.212	47	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2315	0.030	2	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2180	0.028	2	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0110	0.021	2	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6426	0.403	5	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5335	0.015	2	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.6990	0.000	1	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9945	0.539	8	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2340	0.052	2	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6562	0.497	26	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8772	0.113	6	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1663	0.360	20	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1315	0.818	16	109.0627	0.366	406	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	111.4260	0.228	2	109.5946	1.315	8	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2{1|C<2>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9500	0.000	1	109.5946	1.315	8	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.7040	0.000	1	109.5946	1.315	8	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0627	0.185	4	109.5946	1.315	8	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9935	0.045	2	108.8465	0.015	8	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8615	0.018	2	108.8465	0.015	8	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8530	0.024	2	108.8465	0.015	8	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.6780	0.024	2	108.8465	0.015	8	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HP)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5700	0.000	1	109.3810	0.027	3	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HP)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2865	0.006	2	109.3810	0.027	3	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(H)2{1|F<1>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2505	0.050	2	109.1098	0.014	6	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0395	0.054	4	109.1098	0.014	6	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]N[6]H)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]N[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	110.6958	1.156	4	109.9783	2.038	6	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]N[6]H)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]N[6]H)(H)2{1|N<3>,1|P<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.5435	0.062	2	109.9783	2.038	6	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]O[6]H)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]O[6]H)(H)2{1|Cr<9>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	109.8575	0.012	2	109.8575	0.000	2	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]SeC)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Se<2>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]SeC)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.7167	0.061	3	108.7167	0.004	3	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[5]O[6]H)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[5]O[6]H)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	110.0798	0.822	4	110.0798	0.676	4	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]CC)(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.7660	0.013	2	109.7660	0.000	2	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0231	0.105	14	109.4243	0.362	26	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8155	0.777	2	109.4243	0.362	26	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2800	0.028	2	109.4243	0.362	26	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2{1|P<3>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1145	0.045	2	109.4243	0.362	26	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	110.3813	0.014	6	109.4243	0.362	26	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3610	0.000	1	109.2853	1.658	74	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3260	0.000	1	109.2853	1.658	74	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8014	1.207	9	109.2853	1.658	74	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9440	2.260	15	109.2853	1.658	74	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2{1|P<4>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5535	0.011	2	109.2853	1.658	74	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2{1|S<4>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.5721	0.269	8	109.2853	1.658	74	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4877	0.968	30	109.2853	1.658	74	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4055	0.013	2	109.2853	1.658	74	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8060	0.025	2	109.2853	1.658	74	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3282	0.205	4	109.2853	1.658	74	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]HO)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]HO)(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	110.2155	0.006	2	110.2155	0.000	2	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2{2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5625	0.069	4	109.3812	0.356	46	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2{2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5955	0.368	13	109.3812	0.356	46	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2{2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2950	0.023	2	109.3812	0.356	46	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2{2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1534	1.066	12	109.3812	0.356	46	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2{2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2057	0.117	8	109.3812	0.356	46	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2{2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4953	0.113	7	109.3812	0.356	46	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(H)2{2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4079	1.485	20	109.4064	1.995	22	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(H)2{2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3910	0.035	2	109.4064	1.995	22	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]CO)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|O<2>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CO)(H)2{2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.7215	0.059	2	109.7215	0.003	2	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(H)2{2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4407	0.225	6	109.4719	0.039	8	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(H)2{2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5655	0.018	2	109.4719	0.039	8	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]HN)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]HN)(H)2{2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4415	0.013	2	109.4415	0.000	2	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(H)2{1|O<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2920	0.020	2	109.2920	0.000	2	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]F)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|F<1>,1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]F)(C[6]C[6,6a]HH)(H)2{1|O<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0675	0.034	4	109.0675	0.001	4	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.4880	0.020	2	109.0450	0.146	10	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2400	0.020	2	109.0450	0.146	10	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.7455	0.008	2	109.0450	0.146	10	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3530	0.000	1	109.0450	0.146	10	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2{1|O<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3833	0.020	3	109.0450	0.146	10	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]HH)(H)2{5|C<3>}	H(C[6]C[6,6a]C[6]H)	110.3820	0.044	2	109.8278	0.581	6	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8475	0.035	2	109.8278	0.581	6	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]HH)(H)2{5|C<3>}	H(C[6]C[6,6a]C[6]H)	110.2540	0.025	2	109.8278	0.581	6	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(H)2{1|S<4>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.9160	0.016	2	110.0440	0.049	3	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(H)2{1|N<2>,1|S<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	110.3000	0.000	1	110.0440	0.049	3	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6a]HH)(H)2{1|Cl<1>,1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8965	0.023	2	108.8965	0.001	2	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|N<2>,1|O<1>}	H(C[6]C[6,6a]C[6]H)	109.0403	0.161	6	109.0403	0.026	6	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2960	0.000	1	109.2960	0.000	1	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0687	1.390	6	109.4964	2.338	64	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	111.7823	1.632	4	109.4964	2.338	64	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	112.3925	1.334	4	109.4964	2.338	64	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2217	1.392	32	109.4964	2.338	64	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0995	0.013	2	109.4964	2.338	64	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0302	0.018	4	109.4964	2.338	64	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|O<1>}	H(C[6]C[6,6a]C[6]H)	108.8935	0.368	10	109.4964	2.338	64	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6,6a]C[6]H)	109.1545	0.028	2	109.4964	2.338	64	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,2|N<2>}	H(C[6]C[6,6a]C[6]H)	109.1750	0.000	1	109.1750	0.000	1	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.7400	0.178	4	108.7400	0.032	4	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6,6a]C[6]H)	109.6660	0.118	6	109.6660	0.014	6	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2{2|C<4>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9215	0.011	2	108.9215	0.000	2	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	108.7948	0.168	4	108.6896	0.423	10	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.6195	0.854	6	108.6896	0.423	10	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2{1|N<2>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2{2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5310	0.052	2	109.5310	0.003	2	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2465	0.078	2	109.2465	0.006	2	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.3885	0.500	14	108.3885	0.250	14	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2{1|N<3>,2|N<2>}	H(C[6]C[6,6a]C[6]H)	109.6870	0.038	2	109.6870	0.001	2	109.2658	1.100	1329	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HI)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)(I)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HI)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)(I){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2775	0.015	2	109.2775	0.000	2	109.5490	0.098	4	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HI)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)(I)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HI)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)(I){2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8205	0.006	2	109.8205	0.000	2	109.5490	0.098	4	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1035	0.466	2	109.1035	0.217	2	108.8104	3.149	15	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6]H)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6]H)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9980	0.000	1	108.9980	0.000	1	108.8104	3.149	15	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]CC)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.7590	0.249	2	108.7590	0.062	2	108.8104	3.149	15	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.2055	0.015	2	108.2055	0.000	2	108.8104	3.149	15	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8528	3.773	4	108.8778	6.119	8	108.8104	3.149	15	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9027	0.194	4	108.8778	6.119	8	108.8104	3.149	15	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3010	0.041	2	109.3010	0.002	2	108.9184	0.077	7	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,4|C<3>}	C[6](N[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.6505	0.023	2	108.7654	0.012	5	108.9184	0.077	7	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,4|C<3>}	C[6](N[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8420	0.048	3	108.7654	0.012	5	108.9184	0.077	7	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0820	0.018	2	109.0820	0.000	2	109.1367	0.034	11	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2303	0.141	7	109.1489	0.041	9	109.1367	0.034	11	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8640	0.014	2	109.1489	0.041	9	109.1367	0.034	11	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(H)(O)	C[6](C[6]C[6,6a]HO)(C[6]C[6]BrH)(Br)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(H)(O){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]BrH)(Br)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]O)	107.0185	0.255	2	107.0185	0.065	2	107.0185	0.065	2	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)(O)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)(O){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]O)	83.5173	0.000	1	83.5173	0.000	1	83.5173	0.000	1	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]BrH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(Br)(H){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]BrH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2Br)	108.7390	0.000	1	108.7390	0.000	1	104.0356	44.244	2	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]BrH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(Br)(H){2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]BrH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2Br)	99.3322	0.000	1	99.3322	0.000	1	104.0356	44.244	2	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:Br-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(N[6]C[6]HS)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(Br)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]BrH)(N[6]C[6]HS)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2Br)	107.5060	0.000	1	107.5060	0.000	1	107.5060	0.000	1	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:D-1:H-1:	C[6]-4:C[6]-4:D-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]DH)(D)(H)	C[6](C[6]C[5,6]DH)(C[6]C[6]DH)(D)(H)	H(C[6]C[6]2D)	C[6](C[6]C[5,6]H)(C[6]C[6]DH)(D)(H){1|Ge<4>,1|C<3>,1|D<1>,1|H<1>}	C[6](C[6]C[5,6]DH)(C[6]C[6]DH)(D)(H){1|H<1>,2|C<3>}	H(C[6]C[6]2D)	109.5430	0.000	1	109.5430	0.000	1	109.5430	0.000	1	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(F)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]FH)(H)2	H(C[6]C[6]2F)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(F)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]FH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2F)	109.1320	0.000	1	109.1320	0.000	1	109.1320	0.000	1	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2600	0.000	1	109.2600	0.000	1	109.0584	0.016	5	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6])(C[6]C[6,6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.0465	0.046	2	109.0465	0.002	2	109.0584	0.016	5	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.9695	0.069	2	108.9695	0.005	2	109.0584	0.016	5	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[5a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]B[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|B<4>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0185	0.390	4	109.0185	0.152	4	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,5,5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,5,5]C[6])(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0296	0.067	7	109.0296	0.004	7	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.6553	0.913	6	109.6553	0.834	6	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]N)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]N)(C[6]C[6]HH)(H)2{1|C<2>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<4>}	H(C[6]C[6]2H)	109.6600	0.059	2	110.0737	2.319	4	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]N)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]N)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2H)	110.4875	2.504	2	110.0737	2.319	4	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.4942	1.892	4	108.8463	2.446	6	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.5505	0.022	2	108.8463	2.446	6	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.1115	0.035	2	108.7336	1.622	12	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	110.8495	2.170	2	108.7336	1.622	12	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	107.8855	0.004	4	108.7336	1.622	12	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.8347	0.402	4	108.7336	1.622	12	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	113.6340	5.614	2	111.1022	19.054	4	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.5705	0.008	2	111.1022	19.054	4	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4785	0.069	8	109.4785	0.005	8	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]Br)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]Br)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	109.1593	0.091	4	109.1593	0.008	4	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9110	0.017	2	108.9110	0.000	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4x6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[4x6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.3730	0.024	2	109.3730	0.001	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	108.8835	0.026	2	108.9786	0.089	5	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|O<2>}	H(C[6]C[6]2H)	109.0420	0.403	3	108.9786	0.089	5	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,5,5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,5,5,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.2915	0.950	2	109.2915	0.902	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[4,5,6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.9930	0.023	2	108.9930	0.001	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[4,3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.7620	0.007	2	108.7620	0.000	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	110.0075	4.071	2	110.0075	16.572	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.8865	0.040	2	108.8824	0.006	5	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9395	0.042	2	108.8824	0.006	5	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	108.7600	0.000	1	108.8824	0.006	5	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	108.3375	0.022	2	109.0636	2.050	8	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.3057	1.609	6	109.0636	2.050	8	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.1617	0.788	3	108.5238	0.557	5	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	109.0670	0.035	2	108.5238	0.557	5	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4x6]O)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.7070	0.000	1	108.7070	0.000	1	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4x6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.2603	0.021	3	109.2603	0.000	3	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.8950	0.010	2	108.8950	0.000	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.5440	0.045	2	109.5440	0.002	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	109.4578	0.132	4	109.4578	0.017	4	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.6588	0.276	5	108.6588	0.076	5	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.3970	0.000	1	109.3970	0.000	1	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	109.9702	1.717	8	109.9702	2.947	8	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	108.6072	0.207	5	108.6072	0.043	5	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6,6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,3|C<4>}	C[6](C[6]C[5,5,6,6]BrH)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	112.5125	0.374	2	112.5125	0.140	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	110.6005	0.786	2	110.6005	0.617	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	110.1505	0.028	2	110.1505	0.001	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.5165	0.769	4	109.5165	0.591	4	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.4380	0.064	6	109.4380	0.004	6	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	110.9975	3.131	8	110.2135	5.244	16	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.4395	0.028	2	110.2135	5.244	16	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|O<2>}	H(C[6]C[6]2H)	109.3123	0.191	3	110.2135	5.244	16	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.5400	0.140	3	110.2135	5.244	16	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	109.0680	0.000	1	109.0680	0.000	1	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	108.9050	0.107	4	109.4558	0.442	18	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.6132	0.675	14	109.4558	0.442	18	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	108.5250	0.022	4	108.8196	0.232	54	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.2744	0.257	16	108.8196	0.232	54	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	109.0150	0.008	2	108.8196	0.232	54	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{3|C<3>}	H(C[6]C[6]2H)	109.1115	0.040	2	108.8196	0.232	54	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.1050	0.839	4	108.8196	0.232	54	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|Fe<10>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Fe<10>,1|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.7500	0.000	1	108.8196	0.232	54	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.2450	0.058	2	108.8196	0.232	54	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.4435	0.005	2	108.8196	0.232	54	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.3083	0.059	4	108.8196	0.232	54	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.0433	0.185	17	108.8196	0.232	54	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.9440	0.052	2	109.9440	0.003	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.4365	0.321	4	109.4365	0.103	4	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]C[5a]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|O<2>,3|C<3>}	C[6](C[6]C[5,6]C[5a]2)(C[6]C[6]HH)(H)2{1|H<1>,2|O<2>,5|C<3>}	H(C[6]C[6]2H)	108.5225	0.063	2	108.5225	0.004	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]Si[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(H)2{1|Si<4>,2|H<1>,3|C<3>}	C[6](C[6]Si[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	107.2760	0.709	2	107.2760	0.502	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	108.2620	0.031	2	108.2620	0.001	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.0110	0.000	1	109.0110	0.000	1	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	108.6985	0.035	2	108.6985	0.001	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.2580	2.254	2	109.6528	1.052	20	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	110.2321	1.065	8	109.6528	1.052	20	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.3750	0.058	4	109.6528	1.052	20	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.4645	1.320	2	109.6528	1.052	20	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	109.2955	0.016	2	109.6528	1.052	20	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	108.8320	0.489	2	109.6528	1.052	20	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.0174	1.477	8	109.0174	2.181	8	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]SS)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|S<4>}	C[6](C[6]C[5,6]SS)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8165	0.006	2	108.8165	0.000	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]N)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]N)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|N<2>,3|C<4>}	H(C[6]C[6]2H)	108.8510	0.007	2	108.8510	0.000	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]N)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]N)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|N<3>}	C[6](C[6]N[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[6]C[6]2H)	109.1943	0.242	4	109.1943	0.058	4	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|S<3>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.3425	0.036	2	109.1350	0.058	4	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.9275	0.008	2	109.1350	0.058	4	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	109.1790	0.018	2	109.1790	0.000	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.2592	0.381	5	109.6046	0.445	7	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	110.4680	0.052	2	109.6046	0.445	7	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	108.7850	0.027	2	108.7850	0.001	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.7716	0.435	7	108.9504	0.371	56	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.3680	0.007	2	108.9504	0.371	56	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.5389	0.286	10	108.9504	0.371	56	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.6451	0.244	18	108.9504	0.371	56	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.7860	0.017	2	108.9504	0.371	56	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.8450	0.048	2	108.9504	0.371	56	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	108.8800	0.000	1	108.9504	0.371	56	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.7237	0.542	4	108.9504	0.371	56	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.7635	0.016	2	108.9504	0.371	56	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.0125	0.071	4	108.9504	0.371	56	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.2935	0.037	2	108.9504	0.371	56	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.9425	2.002	2	108.9504	0.371	56	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.8293	0.162	7	108.8293	0.026	7	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.4640	0.025	2	108.4640	0.001	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,1|O<1>}	H(C[6]C[6]2H)	109.3780	0.018	2	109.3780	0.000	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.6850	0.010	2	108.3305	3.749	6	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.9000	0.021	2	108.3305	3.749	6	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	107.4065	4.017	2	108.3305	3.749	6	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	109.4365	0.127	2	109.4365	0.016	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7080	0.306	4	108.7080	0.094	4	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1873	0.216	3	109.3500	0.061	21	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7110	0.000	1	109.3500	0.061	21	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4410	0.000	1	109.3500	0.061	21	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3523	0.247	16	109.3500	0.061	21	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.1785	0.162	4	109.1785	0.026	4	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{3|C<3>}	H(C[6]C[6]2H)	108.7114	0.084	5	108.7703	0.026	6	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{3|C<3>}	H(C[6]C[6]2H)	109.0650	0.000	1	108.7703	0.026	6	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>}	H(C[6]C[6]2H)	109.6347	0.101	3	109.6347	0.010	3	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[5])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{3|C<3>}	H(C[6]C[6]2H)	109.9740	0.023	2	109.9740	0.001	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]N)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]N)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>}	H(C[6]C[6]2H)	108.9220	0.020	2	108.8775	0.003	4	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]N)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]N)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>}	H(C[6]C[6]2H)	108.8330	0.018	2	108.8775	0.003	4	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	108.9214	0.189	14	108.8956	2.497	57	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.0405	0.006	2	108.8956	2.497	57	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.0044	2.205	29	108.8956	2.497	57	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.4885	0.356	10	108.8956	2.497	57	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.0285	0.005	2	108.8956	2.497	57	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.8915	0.013	2	108.8915	0.000	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]S)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]S)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|S<1>}	H(C[6]C[6]2H)	108.7920	0.016	2	108.7920	0.000	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.2260	0.048	2	109.0434	0.132	16	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0650	0.017	2	109.0434	0.132	16	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3455	0.035	4	109.0434	0.132	16	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2420	0.030	2	109.0434	0.132	16	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0485	0.019	2	109.0434	0.132	16	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)2(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.2540	0.006	2	109.0434	0.132	16	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	108.8210	0.017	2	109.0434	0.132	16	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]Br)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]Br)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	109.5100	0.095	6	109.5100	0.009	6	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.7150	0.054	2	109.6695	0.004	4	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.6240	0.011	2	109.6695	0.004	4	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.5445	0.029	2	109.5445	0.001	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.4835	0.005	2	109.4142	0.003	6	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.3795	0.031	4	109.4142	0.003	6	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]C[6a]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]C[6a]O)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.6965	0.019	2	109.6965	0.000	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.0050	0.038	2	109.3209	0.460	97	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	108.8540	0.031	2	109.3209	0.460	97	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	109.0130	0.014	2	109.3209	0.460	97	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{3|C<3>}	H(C[6]C[6]2H)	109.0562	1.092	18	109.3209	0.460	97	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	109.3650	0.247	8	109.3209	0.460	97	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	108.7090	0.016	2	109.3209	0.460	97	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.5228	0.257	4	109.3209	0.460	97	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.4517	0.096	11	109.3209	0.460	97	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.4835	0.012	2	109.3209	0.460	97	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.2425	0.021	2	109.3209	0.460	97	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.5450	2.619	2	109.3209	0.460	97	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.4957	0.263	12	109.3209	0.460	97	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.9020	0.052	2	109.3209	0.460	97	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.4527	0.587	28	109.3209	0.460	97	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.8335	0.030	2	108.9952	0.035	4	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.1570	0.013	2	108.9952	0.035	4	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,3|C<4>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.8341	0.136	12	109.8341	0.019	12	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2601	0.101	8	109.2601	0.010	8	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{3|C<3>}	H(C[6]C[6]2H)	109.3435	0.022	2	109.5936	0.053	5	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{3|C<3>}	H(C[6]C[6]2H)	109.7603	0.036	3	109.5936	0.053	5	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.6200	0.030	2	109.0351	0.052	10	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1389	0.073	8	109.0351	0.052	10	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.2610	0.021	2	109.3681	0.015	10	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.3949	0.124	8	109.3681	0.015	10	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.5520	0.000	1	109.4168	0.012	11	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.4033	0.104	10	109.4168	0.012	11	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0305	0.633	12	109.2299	0.272	36	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.1505	0.021	2	109.2299	0.272	36	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.4730	0.000	1	109.2299	0.272	36	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.4550	0.000	1	109.2299	0.272	36	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0065	0.018	2	109.2299	0.272	36	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4539	0.082	7	109.2299	0.272	36	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1941	0.110	9	109.2299	0.272	36	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8720	1.755	2	109.2299	0.272	36	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<4>}	H(C[6]C[6]2H)	108.7705	0.016	2	109.1921	0.148	54	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,1|O<2>}	H(C[6]C[6]2H)	107.9095	0.006	2	109.1921	0.148	54	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>}	H(C[6]C[6]2H)	109.2565	0.290	48	109.1921	0.148	54	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2H)	109.3510	0.034	2	109.1921	0.148	54	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<4>}	H(C[6]C[6]2H)	109.3280	0.379	2	109.3280	0.144	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.4922	0.254	10	109.4922	0.065	10	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.3065	0.065	4	108.6355	0.262	6	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.2935	0.025	2	108.6355	0.262	6	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	110.1027	0.647	9	109.6294	0.522	24	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.9250	0.011	2	109.6294	0.522	24	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.2563	0.623	13	109.6294	0.522	24	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<2>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.0405	0.018	2	109.1449	0.143	19	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.8480	0.008	2	109.1449	0.143	19	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.3335	0.019	2	109.1449	0.143	19	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.4540	0.068	6	109.1449	0.143	19	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.5650	0.006	2	109.1449	0.143	19	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.6145	0.121	2	109.1449	0.143	19	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.4090	0.357	3	109.1449	0.143	19	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6]2H)	108.9357	0.505	4	108.9357	0.255	4	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.9470	0.034	4	109.1539	0.861	290	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	108.4900	0.000	1	109.1539	0.861	290	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	112.2885	3.566	2	109.1539	0.861	290	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.4090	0.299	4	109.1539	0.861	290	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.1469	0.814	76	109.1539	0.861	290	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.9182	1.016	83	109.1539	0.861	290	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	108.3320	0.006	2	109.1539	0.861	290	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	106.1580	0.037	2	109.1539	0.861	290	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	108.9890	0.220	4	109.1539	0.861	290	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	109.0225	0.035	2	109.1539	0.861	290	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	109.2455	0.011	2	109.1539	0.861	290	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.6520	0.000	1	109.1539	0.861	290	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.3340	0.018	2	109.1539	0.861	290	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	109.6940	0.028	2	109.1539	0.861	290	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.9948	0.100	4	109.1539	0.861	290	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.5030	0.021	2	109.1539	0.861	290	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.9917	0.183	4	109.1539	0.861	290	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	110.1890	1.118	4	109.1539	0.861	290	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.7608	0.733	6	109.1539	0.861	290	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.5597	1.555	6	109.1539	0.861	290	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.9225	0.026	2	109.1539	0.861	290	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.4092	0.044	6	109.1539	0.861	290	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|O<2>}	H(C[6]C[6]2H)	109.8198	0.726	9	109.1539	0.861	290	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.5859	0.374	18	109.1539	0.861	290	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.2627	0.348	8	109.1539	0.861	290	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|O<2>}	H(C[6]C[6]2H)	109.2950	0.025	2	109.1539	0.861	290	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.1411	0.619	24	109.1539	0.861	290	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.8300	0.403	8	109.1539	0.861	290	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.4215	0.036	2	109.4215	0.001	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	109.4533	0.237	7	109.2744	0.161	16	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.6055	0.059	2	109.2744	0.161	16	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.8997	0.045	3	109.2744	0.161	16	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.5770	0.230	4	109.2744	0.161	16	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.7995	0.005	2	109.7947	0.067	6	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,3|C<4>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.7922	0.335	4	109.7947	0.067	6	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.2634	0.374	5	108.8417	0.561	25	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|O<1>}	H(C[6]C[6]2H)	109.3657	0.561	8	108.8417	0.561	25	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.0499	0.593	8	108.8417	0.561	25	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.0365	0.016	2	108.8417	0.561	25	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.6640	0.025	2	108.8417	0.561	25	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{3|C<3>}	H(C[6]C[6]2H)	109.0750	0.369	5	109.3600	0.360	20	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{3|C<3>}	H(C[6]C[6]2H)	109.2695	0.011	2	109.3600	0.360	20	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{3|C<3>}	H(C[6]C[6]2H)	109.4835	0.687	13	109.3600	0.360	20	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{3|C<3>}	H(C[6]C[6]2H)	109.5630	0.167	2	109.5630	0.028	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>}	H(C[6]C[6]2H)	109.1418	0.337	24	109.0749	0.109	30	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>}	H(C[6]C[6]2H)	108.8075	0.063	6	109.0749	0.109	30	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	108.3615	0.028	2	108.3615	0.001	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2{1|O<1>,4|C<3>}	H(C[6]C[6]2H)	109.3300	1.317	5	109.3300	1.734	5	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.3035	0.036	2	108.8670	0.280	44	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|O<1>}	H(C[6]C[6]2H)	108.6358	0.803	10	108.8670	0.280	44	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.0655	0.022	2	108.8670	0.280	44	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.8497	0.261	6	108.8670	0.280	44	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	108.9148	0.460	24	108.8670	0.280	44	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.0918	0.259	14	109.0918	0.067	14	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.8860	0.016	2	109.5523	0.149	4	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|C<3>}	H(C[6]C[6]2H)	109.2185	0.012	2	109.5523	0.149	4	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.8845	0.026	2	109.2167	0.071	6	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)2{1|In<4>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	109.4540	0.057	2	109.2167	0.071	6	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)2{1|In<5>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	109.3115	0.021	2	109.2167	0.071	6	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,4|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	108.8335	0.008	2	109.4632	0.540	6	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.7485	0.233	2	109.4632	0.540	6	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.8075	1.206	2	109.4632	0.540	6	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{2|C<3>}	H(C[6]C[6]2H)	109.1540	0.000	1	109.0510	0.013	3	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{2|C<3>}	H(C[6]C[6]2H)	108.9995	0.097	2	109.0510	0.013	3	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2255	0.036	2	109.0353	0.083	13	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	108.9030	0.000	1	109.0353	0.083	13	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9266	0.297	8	109.0353	0.083	13	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.3460	0.031	2	109.0353	0.083	13	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[5]C)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]2H)	112.3360	0.296	2	112.3360	0.087	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]2H)	107.7505	0.050	2	107.7505	0.003	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,4|C<3>}	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(H)2{4|C<3>}	H(C[6]C[6]2H)	109.6615	0.039	2	109.6615	0.002	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|N<2>,1|S<4>}	H(C[6]C[6]2H)	109.3635	0.033	2	109.3635	0.001	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]N[6]CO)(H)2{1|N<2>,2|C<3>}	H(C[6]C[6]2H)	109.4913	0.093	4	109.4913	0.009	4	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]N[6]HO)(H)2{1|N<2>,2|C<3>}	H(C[6]C[6]2H)	109.4170	0.000	1	109.4170	0.000	1	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]S[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|S<4>,2|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]S[6]CC)(H)2{1|C<3>,1|N<2>,2|O<1>}	H(C[6]C[6]2H)	108.5835	0.033	2	108.5835	0.001	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|Rh<8>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.2925	0.013	2	108.2925	0.000	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|N<2>,4|C<3>}	H(C[6]C[6]2H)	109.7065	0.032	2	109.7065	0.001	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|N<3>}	H(C[6]C[6]2H)	108.3395	0.011	2	108.3395	0.000	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	107.5260	0.031	2	107.5260	0.001	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.5105	0.012	2	108.5105	0.000	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.6215	3.256	2	108.6314	0.855	22	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|N<3>}	H(C[6]C[6]2H)	107.5970	0.013	2	108.6314	0.855	22	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.9779	0.081	10	108.6314	0.855	22	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.2094	0.283	8	108.6314	0.855	22	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	107.8000	0.000	1	107.8000	0.000	1	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.3415	0.025	2	108.1153	0.075	10	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.2047	0.086	6	108.1153	0.075	10	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	107.6210	0.016	2	108.1153	0.075	10	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]S)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]S)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,1|S<1>}	H(C[6]C[6]2H)	107.5600	0.038	2	107.5600	0.001	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.8446	0.235	9	108.8446	0.055	9	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.4075	0.049	2	109.4075	0.002	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.6615	0.607	6	108.9984	0.961	17	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.6427	1.310	6	108.9984	0.961	17	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.6294	0.525	5	108.9984	0.961	17	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	107.6195	0.045	2	107.6195	0.002	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.5300	0.023	2	108.5320	0.149	35	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	107.3145	0.769	2	108.5320	0.149	35	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.5740	0.000	1	108.5320	0.149	35	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.6119	0.212	30	108.5320	0.149	35	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.3726	0.161	5	108.3726	0.026	5	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]S)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]S)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|S<1>}	H(C[6]C[6]2H)	110.3365	3.019	2	110.3365	9.112	2	109.1398	0.803	1440	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.7303	0.676	6	108.1707	4.556	10	108.1707	4.556	10	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.3312	3.367	4	108.1707	4.556	10	108.1707	4.556	10	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[3x6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[3x6]C[4x6]C[6,6])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[3x6]C[5]N[5])(C[6]N[3x6]HH)(H)2	H(C[6]N[3x6]C[6]H)	C[6](N[3x6]C[4x6]C[6,6])(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[3x6]C[5]N[5])(C[6]N[3x6]HH)(H)2{1|H<1>,1|O<1>,3|C<3>,3|C<4>}	H(C[6]N[3x6]C[6]H)	109.2050	0.010	2	109.2050	0.000	2	109.2050	0.000	2	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[3x6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[3x6]C[4,4,6,6]C[3x6,6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[3x6]HH)(H)2	H(C[6]N[3x6]C[6]H)	C[6](N[3x6]C[4,4,6,6]C[3x6,6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[3x6]HH)(H)2{1|C<5>,2|C<3>}	H(C[6]N[3x6]C[6]H)	107.2660	2.346	2	107.2660	5.505	2	108.8427	2.593	6	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[3x6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[3x6]C[4x6]C[6,6])(C[6]C[6]HH)(H)2	C[6](C[6]N[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[3x6]C[6]H)	C[6](N[3x6]C[4x6]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]N[3x6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]N[3x6]C[6]H)	109.6310	0.038	4	109.6310	0.001	4	108.8427	2.593	6	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[4,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]BrH)(H)2	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(Br)(H)	H(C[6]N[4,6]C[6]H)	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]BrH)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[4,6]C[6]H)	110.1440	0.006	2	110.1440	0.000	2	110.1440	0.000	2	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[4,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]ClH)(H)2	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(Cl)(H)	H(C[6]N[4,6]C[6]H)	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]ClH)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(Cl)(H){2|Cl<1>,1|C<3>,1|C<4>}	H(C[6]N[4,6]C[6]H)	110.2880	0.006	2	110.2880	0.000	2	110.2880	0.000	2	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[4,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[4,6]C[4,6,6]S[4])(C[6]C[6]HH)(H)2	C[6](C[6]N[4,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[4,6]C[6]H)	C[6](N[4,6]C[4,6,6]S[4])(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[4,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>}	H(C[6]N[4,6]C[6]H)	111.2885	0.789	4	111.2885	0.622	4	109.9201	1.149	17	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[4,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]HH)(H)2	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[4,6]C[6]H)	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[4,6]C[6]H)	110.1567	0.052	6	110.1567	0.003	6	109.9201	1.149	17	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[4,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]HH)(H)2	C[6](C[6]N[4,6]HH)(C[6]S[6]HH)(H)2	H(C[6]N[4,6]C[6]H)	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[6](C[6]N[4,6]HH)(C[6]S[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]N[4,6]C[6]H)	108.9615	0.006	2	108.9615	0.000	2	109.9201	1.149	17	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[4,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[4,6]C[4,6]S[4])(C[6]C[6]HH)(H)2	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[4,6]C[6]H)	C[6](N[4,6]C[4,6]S[4])(C[6]C[6]HH)(H)2{2|C<4>,2|O<1>,3|H<1>}	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]N[4,6]C[6]H)	109.1960	0.037	2	109.1960	0.001	2	109.9201	1.149	17	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[4,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[4,6]Ga[4,6]C[4])(C[6]C[6]HH)(H)2	C[6](C[6]N[4,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[4,6]C[6]H)	C[6](N[4,6]Ga[4,6]C[4])(C[6]C[6]HH)(H)2{2|Cl<1>,1|C<3>,1|N<3>,1|N<4>,2|H<1>}	C[6](C[6]N[4,6]HH)(C[6]N[6]HH)(H)2{1|Ga<5>,1|C<3>,2|C<4>}	H(C[6]N[4,6]C[6]H)	109.7880	0.000	1	109.7880	0.000	1	109.9201	1.149	17	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[4,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[4,6]Nb[5x3,4,6]Si[4])(C[6]C[6]HH)(H)2	C[6](C[6]N[4,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[4,6]C[6]H)	C[6](N[4,6]Nb[5x3,4,6]Si[4])(C[6]C[6]HH)(H)2{3|Cl<1>,1|N<4>,2|H<1>,7|C<4>}	C[6](C[6]N[4,6]HH)(C[6]N[6]HH)(H)2{1|Nb<10>,1|Si<4>,2|H<1>}	H(C[6]N[4,6]C[6]H)	108.2225	0.050	2	108.2225	0.003	2	109.9201	1.149	17	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6,6]C[5,5,3x6]C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]N[5,6,6]C[6]H)	C[6](N[5,6,6]C[5,5,3x6]C[5,6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]N[5,6,6]HH)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]N[5,6,6]C[6]H)	109.8750	0.010	2	109.8750	0.000	2	109.8750	0.000	2	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]ClH)(Cl)(H)	C[6](C[6]N[5,6]ClH)(C[6]C[6]ClH)(Cl)(H)	H(C[6]N[5,6]C[6]Cl)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]ClH)(Cl)(H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]N[5,6]ClH)(C[6]C[6]ClH)(Cl)(H){3|C<3>}	H(C[6]N[5,6]C[6]Cl)	108.6180	0.000	1	108.6180	0.000	1	108.6180	0.000	1	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5,6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[5,6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>,3|C<4>}	H(C[6]N[5,6]C[6]H)	108.6047	0.018	4	108.6047	0.000	4	108.6047	0.000	4	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[5,6]HH)(H)2{1|H<1>,1|S<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5,6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	109.5655	0.059	4	109.5655	0.003	4	109.8596	0.089	16	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]N[5,6]HH)(H)2{5|C<4>}	H(C[6]N[5,6]C[6]H)	109.9247	0.375	6	109.9247	0.140	6	109.8596	0.089	16	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]N[5,6]HH)(H)2{5|C<4>}	H(C[6]N[5,6]C[6]H)	110.1690	0.042	2	110.1690	0.002	2	109.8596	0.089	16	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]N[5,6]HH)(H)2{1|N<2>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.7860	0.020	2	109.7860	0.000	2	109.8596	0.089	16	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]N[5,6]C[6]H)	110.0170	0.004	2	110.0170	0.000	2	109.8596	0.089	16	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]N[5,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	H(C[6]N[5,6]C[6]H)	108.7085	0.033	2	108.7085	0.001	2	109.0955	0.592	17	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[6]N[5,6]C[6]H)	108.9545	0.021	2	108.9545	0.000	2	109.0955	0.592	17	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[5,6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[6]N[5,6]C[6]H)	109.0860	0.042	2	109.0860	0.002	2	109.0955	0.592	17	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	H(C[6]N[5,6]C[6]H)	108.5590	2.729	2	108.7143	2.515	4	109.0955	0.592	17	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[6]N[5,6]C[6]H)	108.8695	0.013	2	108.7143	2.515	4	109.0955	0.592	17	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5a,6]C[6,6]C)(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6](C[6,6]C[5a,6]C[6,6]C)(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]N[5,6]C[6]H)	109.4640	0.038	3	109.4640	0.001	3	109.0955	0.592	17	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]N[5,6]C[6]H)	109.4693	0.115	4	109.4693	0.013	4	109.0955	0.592	17	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]ClH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(Cl)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]ClH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(Cl)(H){4|C<4>}	H(C[6]N[5,6]C[6]H)	110.4873	0.190	4	110.4873	0.036	4	110.4873	0.036	4	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[3,5,6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[3,5,6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[3,6,6]HH)(C[6]N[5,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]N[5,6]C[6]H)	111.6400	3.114	2	111.6400	9.698	2	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[4,5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[4,5,6]C[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]N[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]N[5,6]C[6]H)	109.7750	0.014	2	109.7750	0.000	2	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[4x6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[4x6]HH)(C[6]N[5,6]HH)(H)2{4|C<4>}	H(C[6]N[5,6]C[6]H)	108.3415	0.602	6	108.3415	0.363	6	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]N[5,6]C[6]H)	109.2840	0.011	2	109.2840	0.000	2	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]N[5,6]C[6]H)	109.9365	0.019	2	109.9318	0.038	40	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]N[5,6]C[6]H)	109.8398	0.291	6	109.9318	0.038	40	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]N[5,6]C[6]H)	109.9876	0.096	30	109.9318	0.038	40	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2{4|C<4>}	H(C[6]N[5,6]C[6]H)	109.3655	0.073	2	109.9318	0.038	40	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,5,6,6]S[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6,6]S[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|S<4>}	H(C[6]N[5,6]C[6]H)	115.5545	0.090	2	114.5373	4.184	4	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,5,6,6]S[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6,6]S[5])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|S<4>}	H(C[6]N[5,6]C[6]H)	113.5200	2.899	2	114.5373	4.184	4	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,5,6]As[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)2(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6]As[5])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	C[6](C[6]N[5,6]HH)2(H)2{1|As<3>,1|C<3>,1|P<3>}	H(C[6]N[5,6]C[6]H)	109.8427	0.046	4	109.8427	0.002	4	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6]C[5,6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.9970	0.020	2	109.9970	0.000	2	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[5,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]N[5,6]C[6]H)	109.8815	0.096	4	110.0564	0.039	8	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]N[5,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]N[5,6]C[6]H)	110.2313	0.019	4	110.0564	0.039	8	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HO)(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]N[5,6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]N[5,6]C[6]H)	109.6810	0.018	2	109.6810	0.000	2	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)2(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]N[5,6]HH)2(H)2{1|C<4>,2|C<3>}	H(C[6]N[5,6]C[6]H)	109.0430	0.031	2	109.5138	0.079	11	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)2(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]N[5,6]HH)2(H)2{1|C<4>,2|C<3>}	H(C[6]N[5,6]C[6]H)	109.7960	0.013	2	109.5138	0.079	11	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)2(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|N<3>,3|H<1>}	C[6](C[6]N[5,6]HH)2(H)2{1|C<4>,2|C<3>}	H(C[6]N[5,6]C[6]H)	109.5677	0.168	7	109.5138	0.079	11	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,5,6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6]O[5])(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]N[5,6]C[6]H)	108.2595	0.033	2	108.2595	0.001	2	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,5,6]P[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)2(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6]P[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|N<3>}	C[6](C[6]N[5,6]HH)2(H)2{1|As<3>,1|C<3>,1|P<3>}	H(C[6]N[5,6]C[6]H)	110.0987	0.057	4	110.0987	0.003	4	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.6527	0.084	4	109.7741	0.012	28	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.7686	0.084	20	109.7741	0.012	28	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]N[5,6]C[6]H)	109.8880	0.066	2	109.7741	0.012	28	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]N[5,6]C[6]H)	109.9580	0.011	2	109.7741	0.012	28	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]B[5,5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]B[5,5])(C[6]C[6]HH)(H)2{1|B<4>,1|C<2>,2|H<1>,3|N<3>}	C[6](C[6]N[5,6]HH)(C[6]N[6,6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>}	H(C[6]N[5,6]C[6]H)	109.5124	0.184	7	109.4398	0.036	20	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]B[5,5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]B[5,5])(C[6]C[6]HH)(H)2{1|B<4>,1|O<2>,2|H<1>,3|N<3>}	C[6](C[6]N[5,6]HH)(C[6]N[6,6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>}	H(C[6]N[5,6]C[6]H)	109.5393	0.184	6	109.4398	0.036	20	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]B[5,5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]B[5,5])(C[6]C[6]HH)(H)2{1|B<4>,2|H<1>,4|N<3>}	C[6](C[6]N[5,6]HH)(C[6]N[6,6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>}	H(C[6]N[5,6]C[6]H)	109.2817	0.076	7	109.4398	0.036	20	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]N[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]N[5,6]C[6]H)	109.0105	0.009	2	109.0105	0.000	2	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]HH)(H)2{4|C<4>}	H(C[6]N[5,6]C[6]H)	110.6930	0.769	2	110.2130	0.258	6	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]HH)(H)2{4|C<4>}	H(C[6]N[5,6]C[6]H)	109.9730	0.041	4	110.2130	0.258	6	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]C[6,6]CH)(C[6]N[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]N[5,6]C[6]H)	109.9145	0.030	2	109.9145	0.001	2	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2{1|O<2>,3|C<4>}	H(C[6]N[5,6]C[6]H)	108.8960	0.000	1	109.9252	0.115	25	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]N[5,6]C[6]H)	109.8420	0.024	4	109.9252	0.115	25	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]N[5,6]C[6]H)	109.7635	0.012	2	109.9252	0.115	25	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]N[5,6]C[6]H)	110.0490	0.018	2	109.9252	0.115	25	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2{1|O<2>,3|C<4>}	H(C[6]N[5,6]C[6]H)	109.8480	0.179	4	109.9252	0.115	25	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2{4|C<4>}	H(C[6]N[5,6]C[6]H)	110.0708	0.331	12	109.9252	0.115	25	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]N[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]N[5,6]C[6]H)	109.5025	0.508	2	109.5025	0.258	2	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.5230	0.000	1	109.5230	0.000	1	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]N[5])(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<4>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.3855	0.586	2	109.3855	0.344	2	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[5,6]HH)(H)2{3|C<3>}	H(C[6]N[5,6]C[6]H)	109.8642	0.098	4	109.8642	0.010	4	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]N[5a]H)(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]N[5a]H)(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	H(C[6]N[5,6]C[6]H)	110.0860	0.062	2	110.0860	0.004	2	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6a]P[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6a]P[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[5,6]HH)(H)2{1|P<4>,2|C<3>}	H(C[6]N[5,6]C[6]H)	109.7810	0.013	2	109.7810	0.000	2	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]2)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.8187	0.345	6	109.7567	0.098	8	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]2)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]N[5,6]C[6]H)	109.5710	0.023	2	109.7567	0.098	8	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[6]N[5,6]C[6]H)	111.3920	0.738	2	111.3920	0.545	2	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]N[5,6]C[6]H)	109.9128	0.130	6	109.9128	0.017	6	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>}	H(C[6]N[5,6]C[6]H)	109.6710	0.038	2	109.6710	0.001	2	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<2>,3|C<4>,4|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.7775	0.023	2	109.8140	0.541	54	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.8740	0.014	2	109.8140	0.541	54	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,4|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	110.1302	0.053	4	109.8140	0.541	54	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	110.0180	0.008	2	109.8140	0.541	54	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]N[5,6]C[6]H)	108.0175	0.062	2	109.8140	0.541	54	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.7530	0.000	1	109.8140	0.541	54	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.7940	0.028	2	109.8140	0.541	54	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.6260	0.000	1	109.8140	0.541	54	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]N[5,6]C[6]H)	109.6965	0.043	2	109.8140	0.541	54	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]N[5,6]C[6]H)	109.9633	0.045	4	109.8140	0.541	54	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Ir<6>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.6347	0.145	3	109.8140	0.541	54	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]N[5,6]C[6]H)	109.5235	0.032	2	109.8140	0.541	54	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]N[5,6]C[6]H)	109.7843	0.229	4	109.8140	0.541	54	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.9070	0.024	2	109.8140	0.541	54	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Rh<6>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.6708	0.099	5	109.8140	0.541	54	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]N[5,6]C[6]H)	109.3630	0.010	2	109.8140	0.541	54	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|H<1>,2|C<4>}	H(C[6]N[5,6]C[6]H)	111.8590	3.469	2	109.8140	0.541	54	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]N[5,6]C[6]H)	109.9515	0.009	2	109.8140	0.541	54	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[6]N[5,6]C[6]H)	109.7777	0.047	6	109.8140	0.541	54	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.8405	0.030	2	109.8140	0.541	54	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.9480	0.008	2	109.8140	0.541	54	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(H)2{2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	108.8180	1.930	2	108.8180	3.726	2	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	H(C[6]N[5,6]C[6]H)	109.9470	0.000	1	109.9413	0.061	19	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]N[5,6]C[6]H)	109.8480	0.000	1	109.9413	0.061	19	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{2|C<3>}	H(C[6]N[5,6]C[6]H)	110.0245	0.019	2	109.9413	0.061	19	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{2|C<3>}	H(C[6]N[5,6]C[6]H)	110.2660	0.013	2	109.9413	0.061	19	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]N[5,6]C[6]H)	109.7865	0.008	2	109.9413	0.061	19	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>}	H(C[6]N[5,6]C[6]H)	109.7875	0.786	2	109.9413	0.061	19	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]N[5,6]C[6]H)	109.8533	0.186	4	109.9413	0.061	19	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]N[5,6]C[6]H)	109.9668	0.020	4	109.9413	0.061	19	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]N[5,6]C[6]H)	110.0810	0.000	1	109.9413	0.061	19	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]O[6]CH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]N[5,6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>}	H(C[6]N[5,6]C[6]H)	110.0040	0.020	2	110.0040	0.000	2	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]N[5,6]C[6]H)	112.5785	0.968	2	110.9924	2.367	5	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]N[5,6]C[6]H)	109.6230	0.000	1	110.9924	2.367	5	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<6>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]N[5,6]C[6]H)	110.0910	0.013	2	110.9924	2.367	5	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,1|S<2>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(H)2{2|C<3>}	H(C[6]N[5,6]C[6]H)	109.5065	0.025	2	109.5065	0.001	2	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)2(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,6|H<1>}	C[6](C[6]N[5,6]HH)2(H)2{1|H<1>,3|C<4>}	H(C[6]N[5,6]C[6]H)	109.8350	0.183	12	109.8350	0.033	12	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.7635	0.012	2	109.9551	0.052	7	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>}	H(C[6]N[5,6]C[6]H)	110.0318	0.229	5	109.9551	0.052	7	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.9928	0.937	5	109.9928	0.878	5	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,1|S<1>,2|C<4>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.5883	0.050	3	109.5883	0.002	3	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|N<3>}	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{1|Sb<5>,1|C<3>,1|P<3>}	H(C[6]N[5,6]C[6]H)	110.1312	0.055	4	110.0702	0.011	6	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2{1|Co<7>,1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|P<4>}	H(C[6]N[5,6]C[6]H)	109.9480	0.031	2	110.0702	0.011	6	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]N[5,6]HH)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.8075	0.131	8	109.8075	0.017	8	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.4592	3.179	4	109.4592	10.104	4	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]N[5,6]C[6]H)	109.4480	0.028	2	109.4480	0.001	2	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6a]N[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6a]N[5,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.2684	0.169	11	109.2684	0.029	11	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.4938	0.172	4	109.4042	0.024	12	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.3720	0.006	2	109.4042	0.024	12	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|Cu<2>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.5245	0.039	2	109.4042	0.024	12	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.2705	0.120	4	109.4042	0.024	12	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]P[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]P[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|P<4>}	H(C[6]N[5,6]C[6]H)	108.8910	0.016	2	108.8910	0.000	2	109.8289	0.721	359	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HI)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)(I)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HI)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)(I){4|C<4>}	H(C[6]N[5,6]C[6]H)	110.3945	0.113	4	110.3945	0.013	4	110.3945	0.013	4	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2	C[6](C[6]N[5,6]HH)(N[6]B[6]CH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[5,6]HH)(N[6]B[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.3695	0.032	2	109.3695	0.001	2	109.3695	0.001	2	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]O[5])(C[6]S[6]HH)(H)2	C[6](C[6]N[5,6]HH)(S[6]C[5,6]OO)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]O[5])(C[6]S[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6](C[6]N[5,6]HH)(S[6]C[5,6]OO)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]N[5,6]C[6]H)	108.2855	0.008	2	108.2855	0.000	2	108.2855	0.000	2	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5]C)(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	C[6](N[5,6]C[5,6,6]C[5]C)(C[6]N[5,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	110.4880	0.040	2	110.3373	0.015	6	110.3373	0.015	6	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5]C)(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2{1|N<4>,3|H<1>,4|C<4>}	C[6](N[5,6]C[5,6,6]C[5]C)(C[6]N[5,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	110.2620	0.040	4	110.3373	0.015	6	110.3373	0.015	6	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5a,6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5a,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]N[5a,6]C[6]H)	109.9988	0.031	4	109.9988	0.001	4	110.1120	0.031	6	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]N[5a,6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]N[5a,6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6]N[5a,6]C[6]H)	110.3385	0.013	2	110.3385	0.000	2	110.1120	0.031	6	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[6]N[5a,6]C[6]H)	111.3470	2.143	2	111.3470	4.590	2	111.3470	4.590	2	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]FH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(F)(H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]FH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(F)(H){2|C<3>,2|H<1>}	H(C[6]N[5a,6]C[6]H)	109.7285	0.012	2	109.7285	0.000	2	109.7285	0.000	2	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[5a,6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]N[5a,6]HH)(H)2{3|C<3>}	H(C[6]N[5a,6]C[6]H)	109.8623	0.054	6	109.8623	0.003	6	110.0630	1.213	64	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[5a,6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]N[5a,6]HH)(H)2{3|C<3>}	H(C[6]N[5a,6]C[6]H)	111.6675	1.693	6	110.8031	2.925	10	110.0630	1.213	64	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[5a,6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]N[5a,6]HH)(H)2{3|C<3>}	H(C[6]N[5a,6]C[6]H)	109.9510	0.010	2	110.8031	2.925	10	110.0630	1.213	64	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[5a,6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]N[5a,6]HH)(H)2{3|C<3>}	H(C[6]N[5a,6]C[6]H)	109.0620	0.072	2	110.8031	2.925	10	110.0630	1.213	64	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]N[5a,6]C[6]H)	112.6995	2.437	2	112.6995	5.941	2	110.0630	1.213	64	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]N[5a,6]C[6]H)	109.7580	0.000	1	109.4019	0.052	14	110.0630	1.213	64	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>}	H(C[6]N[5a,6]C[6]H)	109.5480	0.006	2	109.4019	0.052	14	110.0630	1.213	64	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]N[5a,6]C[6]H)	109.1478	0.143	4	109.4019	0.052	14	110.0630	1.213	64	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]N[5a,6]C[6]H)	109.3252	0.036	4	109.4019	0.052	14	110.0630	1.213	64	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]N[5a,6]C[6]H)	109.6675	0.057	2	109.4019	0.052	14	110.0630	1.213	64	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]N[5a,6]C[6]H)	109.5460	0.000	1	109.4019	0.052	14	110.0630	1.213	64	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|O<1>,1|S<2>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2{2|C<3>}	H(C[6]N[5a,6]C[6]H)	110.0040	0.022	3	110.0774	0.011	5	110.0630	1.213	64	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2{1|Co<5>,2|C<3>}	H(C[6]N[5a,6]C[6]H)	110.1875	0.026	2	110.0774	0.011	5	110.0630	1.213	64	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5]C[6]H)(C[6]N[5a,6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5]C[6]H)(C[6]N[5a,6]HH)(H)2{1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]N[5a,6]C[6]H)	109.4330	0.018	2	109.4330	0.000	2	110.0630	1.213	64	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>}	H(C[6]N[5a,6]C[6]H)	109.7025	0.095	4	109.7025	0.009	4	110.0630	1.213	64	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>}	H(C[6]N[5a,6]C[6]H)	110.2845	0.013	2	110.2308	0.004	4	110.0630	1.213	64	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[6]N[5a,6]C[6]H)	110.1770	0.035	2	110.2308	0.004	4	110.0630	1.213	64	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]N[5a,6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,5|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]N[5a,6]HH)(H)2{1|O<1>,4|C<3>}	H(C[6]N[5a,6]C[6]H)	109.5990	0.000	1	109.5990	0.000	1	110.0630	1.213	64	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]CH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]N[5a,6]C[6]H)	109.6090	0.007	2	109.6090	0.000	2	110.0630	1.213	64	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]N[5a,6]C[6]H)	109.9505	0.018	2	110.4554	1.947	8	110.0630	1.213	64	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]N[5a,6]C[6]H)	111.2193	1.702	4	110.4554	1.947	8	110.0630	1.213	64	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]N[5a,6]C[6]H)	109.4325	0.011	2	110.4554	1.947	8	110.0630	1.213	64	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]N[5a,6]C[6]H)	109.7257	0.050	6	109.7257	0.002	6	110.0630	1.213	64	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,5,6]HH)(H)2	C[6](C[5,5,6]C[5,5,6,6]C[5,6a]2)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,5,6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[5,6a]2)(C[6]N[6,6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|C<3>}	H(C[6]N[6,6]C[6]H)	108.6520	0.044	2	108.6520	0.002	2	108.8857	0.165	3	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,5,6]HH)(H)2	C[6](C[5,5,6]C[5,5,6]C[5,6a]2)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,5,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]2)(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,5|C<3>}	H(C[6]N[6,6]C[6]H)	109.3530	0.000	1	109.3530	0.000	1	108.8857	0.165	3	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,3x6]C[5,6a]C[6,6a])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6,6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6,6]C[5,3x6]C[5,6a]C[6,6a])(C[6]N[6,6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|C<3>}	H(C[6]N[6,6]C[6]H)	109.0800	0.035	2	109.0800	0.001	2	109.0162	0.008	5	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6,6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]N[6,6]C[6]H)	108.9205	0.026	2	108.9737	0.009	3	109.0162	0.008	5	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6,6]HH)(H)2{2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6,6]HH)(H)2{1|N<2>,3|C<3>,3|C<4>}	H(C[6]N[6,6]C[6]H)	109.0800	0.000	1	108.9737	0.009	3	109.0162	0.008	5	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]N[6,6]HH)(H)2{5|C<4>}	H(C[6]N[6,6]C[6]H)	109.7625	0.027	4	109.7625	0.001	4	109.7779	0.036	8	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]N[6,6]HH)(H)2{1|N<2>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	109.3640	0.000	1	109.3640	0.000	1	109.7779	0.036	8	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>}	H(C[6]N[6,6]C[6]H)	109.9363	0.031	3	109.9363	0.001	3	109.7779	0.036	8	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]B[5,6,6]C[3x6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)2(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]B[5,6,6]C[3x6])(C[6]C[6]HH)(H)2{1|O<2>,1|O<3>,2|H<1>,3|N<3>}	C[6](C[6]N[6,6]HH)2(H)2{1|B<4>,1|C<3>,1|C<4>}	H(C[6]N[6,6]C[6]H)	109.4350	0.385	3	109.4350	0.149	3	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]B[5,6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]B[5,6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]N[6,6]HH)(C[6]O[6]HH)(H)2{1|B<4>,1|C<3>}	H(C[6]N[6,6]C[6]H)	110.2020	0.030	2	110.2020	0.001	2	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]B[6,6]C[3x6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)2(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]B[6,6]C[3x6])(C[6]C[6]HH)(H)2{1|O<2>,1|O<3>,2|H<1>,3|N<3>}	C[6](C[6]N[6,6]HH)2(H)2{1|B<4>,1|C<3>,1|C<4>}	H(C[6]N[6,6]C[6]H)	109.7827	0.064	3	109.7827	0.004	3	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]B[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]B[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|B<3>,1|C<4>,1|P<3>}	H(C[6]N[6,6]C[6]H)	109.5425	0.331	6	109.4319	0.041	25	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]B[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]B[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|B<3>,1|C<4>,1|P<4>}	H(C[6]N[6,6]C[6]H)	109.3970	0.140	19	109.4319	0.041	25	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]B[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]B[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,3|O<2>}	C[6](C[6]N[6,6]HH)(C[6]O[6]HH)(H)2{1|B<4>,1|C<3>}	H(C[6]N[6,6]C[6]H)	109.8285	0.028	2	109.8285	0.001	2	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]N[6,6]C[6]H)	109.7145	0.015	2	109.7145	0.000	2	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]N[6,6]C[6]H)	109.0525	0.011	2	109.3868	0.287	85	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]N[6,6]C[6]H)	108.6850	0.011	2	109.3868	0.287	85	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]N[6,6]C[6]H)	109.4045	0.008	2	109.3868	0.287	85	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]N[6,6]C[6]H)	109.5234	0.129	10	109.3868	0.287	85	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{4|C<4>}	H(C[6]N[6,6]C[6]H)	109.6008	1.050	19	109.3868	0.287	85	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]N[6,6]C[6]H)	109.1662	0.032	4	109.3868	0.287	85	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]N[6,6]C[6]H)	109.5966	0.102	7	109.3868	0.287	85	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]N[6,6]C[6]H)	109.3427	0.087	6	109.3868	0.287	85	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]N[6,6]C[6]H)	109.5665	0.030	2	109.3868	0.287	85	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]N[6,6]C[6]H)	109.2200	0.006	2	109.3868	0.287	85	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]N[6,6]C[6]H)	109.2857	0.041	4	109.3868	0.287	85	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]N[6,6]C[6]H)	109.1953	0.127	19	109.3868	0.287	85	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|O<2>,3|C<4>}	H(C[6]N[6,6]C[6]H)	109.3370	0.004	2	109.3868	0.287	85	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]N[6,6]C[6]H)	109.4868	0.040	4	109.3868	0.287	85	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	109.5915	0.032	2	109.5915	0.001	2	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)2(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)2(H)2{1|B<4>,1|C<3>,1|C<4>}	H(C[6]N[6,6]C[6]H)	109.4087	0.332	7	109.4007	0.325	51	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)2(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)2(H)2{1|C<4>,2|C<3>}	H(C[6]N[6,6]C[6]H)	109.2160	0.020	2	109.4007	0.325	51	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)2(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)2(H)2{1|Si<4>,1|C<3>,1|C<4>}	H(C[6]N[6,6]C[6]H)	109.1410	0.000	1	109.4007	0.325	51	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)2(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,5|H<1>}	C[6](C[6]N[6,6]HH)2(H)2{1|C<3>,2|C<4>}	H(C[6]N[6,6]C[6]H)	108.8270	0.727	8	109.4007	0.325	51	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)2(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,5|H<1>}	C[6](C[6]N[6,6]HH)2(H)2{3|C<4>}	H(C[6]N[6,6]C[6]H)	109.5123	0.052	7	109.4007	0.325	51	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)2(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]N[6,6]HH)2(H)2{3|C<4>}	H(C[6]N[6,6]C[6]H)	109.5525	0.992	8	109.4007	0.325	51	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)2(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]N[6,6]HH)2(H)2{3|C<4>}	H(C[6]N[6,6]C[6]H)	109.1788	0.070	4	109.4007	0.325	51	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)2(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	C[6](C[6]N[6,6]HH)2(H)2{4|C<4>}	H(C[6]N[6,6]C[6]H)	109.7409	0.120	10	109.4007	0.325	51	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)2(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,4|H<1>}	C[6](C[6]N[6,6]HH)2(H)2{1|H<1>,3|C<4>}	H(C[6]N[6,6]C[6]H)	109.2670	0.011	2	109.4007	0.325	51	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)2(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)2(H)2{1|C<4>,2|C<3>}	H(C[6]N[6,6]C[6]H)	109.8610	0.031	2	109.4007	0.325	51	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]S[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]S[6])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|N<3>,2|O<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	109.9095	0.037	2	109.9095	0.001	2	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]Si[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)2(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]Si[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)2(H)2{1|Si<4>,1|C<3>,1|C<4>}	H(C[6]N[6,6]C[6]H)	109.8380	0.000	1	109.8380	0.000	1	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[4,3x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[4,3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]N[6,6]C[6]H)	109.1435	0.025	2	109.1435	0.001	2	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[4,6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[4,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[4,6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]N[4,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>}	H(C[6]N[6,6]C[6]H)	111.3038	1.208	4	111.3038	1.459	4	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[3x6]HH)(C[6]N[6,6]HH)(H)2{1|O<2>,3|C<4>}	H(C[6]N[6,6]C[6]H)	108.9385	0.029	2	108.9385	0.001	2	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]N[6,6]C[6]H)	109.0270	0.027	2	109.3261	0.260	10	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]N[6,6]C[6]H)	109.6565	0.008	2	109.3261	0.260	10	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]N[6,6]C[6]H)	109.7143	0.095	4	109.3261	0.260	10	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]N[6,6]C[6]H)	108.5185	0.062	2	109.3261	0.260	10	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[5,3x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[5,3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]N[6,6]C[6]H)	109.8125	0.015	2	109.8125	0.000	2	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[5,3x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[5,3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<4>,5|H<1>}	C[6](C[6]N[5,6,6]HH)(C[6]N[6,6]HH)(H)2{4|C<4>}	H(C[6]N[6,6]C[6]H)	109.8560	0.041	6	109.8560	0.002	6	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6,6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]N[6,6]C[6]H)	109.2180	0.034	2	109.1833	0.002	4	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]N[6,6]C[6]H)	109.1485	0.030	2	109.1833	0.002	4	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]N[5,6]HH)(C[6]N[6,6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>}	H(C[6]N[6,6]C[6]H)	109.5211	0.154	16	109.5211	0.024	16	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]N[6,6]C[6]H)	109.4470	0.023	2	109.4470	0.001	2	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]CC)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6a]CC)(C[6]N[6,6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]N[6,6]C[6]H)	109.3837	0.352	19	109.3837	0.124	19	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6,6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]N[6,6]C[6]H)	109.4399	0.801	160	109.4399	0.642	160	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6a]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C[6](C[6]N[6,6a]HH)(C[6]N[6,6]HH)(H)2{3|C<3>}	H(C[6]N[6,6]C[6]H)	109.9415	0.016	2	109.9415	0.000	2	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	108.9707	0.159	3	109.1961	0.096	8	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	109.3314	0.306	5	109.1961	0.096	8	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]N[6,6]C[6]H)	109.5108	0.114	5	109.5239	0.006	11	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]N[6,6]C[6]H)	109.5255	0.050	2	109.5239	0.006	11	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]N[6,6]C[6]H)	109.5395	0.020	4	109.5239	0.006	11	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]N[6,6]C[6]H)	109.8917	0.037	3	109.5564	1.158	12	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<1>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]N[6,6]C[6]H)	110.3335	0.036	2	109.5564	1.158	12	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]N[6,6]C[6]H)	109.3843	0.066	3	109.5564	1.158	12	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]N[6,6]C[6]H)	109.9690	0.017	2	109.5564	1.158	12	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{2|C<4>,2|S<2>}	H(C[6]N[6,6]C[6]H)	108.1220	2.577	2	109.5564	1.158	12	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]N[5]H)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]N[5]H)(C[6]N[6,6]HH)(H)2{1|H<1>,1|N<3>,4|C<4>}	H(C[6]N[6,6]C[6]H)	108.0485	0.013	2	108.0485	0.000	2	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	109.6315	0.022	2	109.5321	0.579	121	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	108.7803	0.063	3	109.5321	0.579	121	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]N[6,6]C[6]H)	109.6182	0.144	4	109.5321	0.579	121	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	109.6422	0.103	25	109.5321	0.579	121	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]N[6,6]C[6]H)	109.3038	0.456	6	109.5321	0.579	121	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>}	H(C[6]N[6,6]C[6]H)	109.8285	0.019	2	109.5321	0.579	121	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	109.2115	0.070	4	109.5321	0.579	121	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	109.4232	0.207	4	109.5321	0.579	121	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	109.3400	0.035	2	109.5321	0.579	121	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<2>,1|S<1>,2|C<3>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{3|C<3>}	H(C[6]N[6,6]C[6]H)	109.6595	0.008	2	109.5321	0.579	121	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{3|C<3>}	H(C[6]N[6,6]C[6]H)	109.3530	0.008	3	109.5321	0.579	121	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	109.1223	0.281	12	109.5321	0.579	121	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	109.3595	0.023	2	109.5321	0.579	121	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	110.6295	1.853	6	109.5321	0.579	121	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]N[6,6]C[6]H)	109.2020	0.000	1	109.5321	0.579	121	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	109.8899	1.544	8	109.5321	0.579	121	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Pd<4>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	109.4150	0.021	2	109.5321	0.579	121	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|H<1>,2|C<4>}	H(C[6]N[6,6]C[6]H)	109.2970	1.269	2	109.5321	0.579	121	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	109.5252	0.823	27	109.5321	0.579	121	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	109.3208	0.107	4	109.5321	0.579	121	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]CH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]N[6,6]C[6]H)	112.0165	1.098	2	109.8527	1.162	12	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]CH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]N[6,6]C[6]H)	109.4199	0.196	10	109.8527	1.162	12	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{2|C<3>}	H(C[6]N[6,6]C[6]H)	109.5865	0.022	2	109.6459	1.117	440	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	H(C[6]N[6,6]C[6]H)	109.7150	0.021	2	109.6459	1.117	440	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<4>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]N[6,6]C[6]H)	109.4315	0.015	2	109.6459	1.117	440	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|O<1>,1|S<2>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{2|C<3>}	H(C[6]N[6,6]C[6]H)	111.7048	1.396	4	109.6459	1.117	440	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]N[6,6]C[6]H)	109.5758	0.422	22	109.6459	1.117	440	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]N[6,6]C[6]H)	109.1292	0.383	8	109.6459	1.117	440	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Cu<4>,1|C<3>,1|C<4>}	H(C[6]N[6,6]C[6]H)	109.6370	0.048	4	109.6459	1.117	440	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Pd<4>,1|C<3>,1|C<4>}	H(C[6]N[6,6]C[6]H)	109.4418	0.167	6	109.6459	1.117	440	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>}	H(C[6]N[6,6]C[6]H)	109.6200	0.040	2	109.6459	1.117	440	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{2|C<3>}	H(C[6]N[6,6]C[6]H)	109.1345	0.019	2	109.6459	1.117	440	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]N[6,6]C[6]H)	109.6190	0.040	2	109.6459	1.117	440	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]N[6,6]C[6]H)	110.2015	1.917	2	109.6459	1.117	440	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Al<4>,1|C<3>,1|C<4>}	H(C[6]N[6,6]C[6]H)	109.3065	0.176	8	109.6459	1.117	440	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|B<3>,1|C<3>,1|C<4>}	H(C[6]N[6,6]C[6]H)	109.8985	0.032	2	109.6459	1.117	440	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]N[6,6]C[6]H)	109.6641	0.962	69	109.6459	1.117	440	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|W<6>}	H(C[6]N[6,6]C[6]H)	111.5095	0.961	6	109.6459	1.117	440	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]N[6,6]C[6]H)	109.7174	1.978	47	109.6459	1.117	440	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]N[6,6]C[6]H)	109.2313	0.665	24	109.6459	1.117	440	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Cu<2>,1|C<3>,1|C<4>}	H(C[6]N[6,6]C[6]H)	111.2142	1.940	4	109.6459	1.117	440	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Cu<3>,1|C<3>,1|C<4>}	H(C[6]N[6,6]C[6]H)	109.1848	0.165	6	109.6459	1.117	440	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Cu<4>,1|C<3>,1|C<4>}	H(C[6]N[6,6]C[6]H)	109.2080	0.020	2	109.6459	1.117	440	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Fe<4>,1|C<3>,1|C<4>}	H(C[6]N[6,6]C[6]H)	109.1110	0.033	3	109.6459	1.117	440	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Ir<6>,1|C<3>,1|C<4>}	H(C[6]N[6,6]C[6]H)	109.8765	0.078	2	109.6459	1.117	440	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Li<4>,1|C<3>,1|C<4>}	H(C[6]N[6,6]C[6]H)	109.7428	0.116	4	109.6459	1.117	440	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Mo<6>,1|C<3>,1|C<4>}	H(C[6]N[6,6]C[6]H)	109.3910	0.014	2	109.6459	1.117	440	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Pd<4>,1|C<3>,1|C<4>}	H(C[6]N[6,6]C[6]H)	109.1926	0.139	7	109.6459	1.117	440	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Pd<5>,1|C<3>,1|C<4>}	H(C[6]N[6,6]C[6]H)	109.3952	0.295	14	109.6459	1.117	440	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Re<6>,1|C<3>,1|C<4>}	H(C[6]N[6,6]C[6]H)	109.5358	0.241	8	109.6459	1.117	440	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Ru<5>,1|C<3>,1|C<4>}	H(C[6]N[6,6]C[6]H)	109.5105	0.247	35	109.6459	1.117	440	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Ru<6>,1|C<3>,1|C<4>}	H(C[6]N[6,6]C[6]H)	109.6506	0.309	5	109.6459	1.117	440	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Ru<7>,1|C<3>,1|C<4>}	H(C[6]N[6,6]C[6]H)	110.3225	1.109	22	109.6459	1.117	440	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Ru<8>,1|C<3>,1|C<4>}	H(C[6]N[6,6]C[6]H)	109.4265	0.184	4	109.6459	1.117	440	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Ru<9>,1|C<3>,1|C<4>}	H(C[6]N[6,6]C[6]H)	109.3700	0.142	7	109.6459	1.117	440	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>}	H(C[6]N[6,6]C[6]H)	109.5897	0.756	40	109.6459	1.117	440	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Si<5>,1|C<3>,1|C<4>}	H(C[6]N[6,6]C[6]H)	108.9137	0.076	4	109.6459	1.117	440	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Zn<4>,1|C<3>,1|C<4>}	H(C[6]N[6,6]C[6]H)	109.4000	0.275	9	109.6459	1.117	440	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Ce<13>,1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Ce<13>,2|C<4>}	H(C[6]N[6,6]C[6]H)	109.6235	0.110	4	109.6459	1.117	440	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Mn<9>,1|C<4>,1|N<3>,1|N<4>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Mn<9>,2|C<4>}	H(C[6]N[6,6]C[6]H)	109.8150	0.007	2	109.6459	1.117	440	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Mn<9>,1|C<4>,1|N<3>,1|N<4>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{2|Mn<9>,2|C<4>}	H(C[6]N[6,6]C[6]H)	109.3675	0.047	2	109.6459	1.117	440	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<4>,2|C<3>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]N[6,6]C[6]H)	109.4090	0.020	2	109.6459	1.117	440	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Sm<14>,1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Sm<14>,2|C<4>}	H(C[6]N[6,6]C[6]H)	108.7210	0.738	4	109.6459	1.117	440	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Ta<7>,1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Ta<7>,2|C<4>}	H(C[6]N[6,6]C[6]H)	109.6547	0.515	4	109.6459	1.117	440	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|U<14>,1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|U<14>,2|C<4>}	H(C[6]N[6,6]C[6]H)	109.7181	1.391	20	109.6459	1.117	440	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|U<15>,1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|U<15>,2|C<4>}	H(C[6]N[6,6]C[6]H)	110.4062	2.017	8	109.6459	1.117	440	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	H(C[6]N[6,6]C[6]H)	108.9650	0.006	2	109.6459	1.117	440	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]O[6]CH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]O[6]CH)(H)2{2|C<4>}	H(C[6]N[6,6]C[6]H)	109.2535	0.493	4	109.2535	0.243	4	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]S[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|S<2>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]S[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]N[6,6]C[6]H)	109.3358	0.060	4	109.1637	0.073	6	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]S[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]S[6]HH)(H)2{2|C<3>}	H(C[6]N[6,6]C[6]H)	108.8195	0.028	2	109.1637	0.073	6	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]N[6,6]C[6]H)	109.5440	0.000	1	109.5440	0.000	1	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]S[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]S[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	109.8020	0.018	2	109.8020	0.000	2	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6a]C[3x6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)2(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[3x6])(C[6]C[6]HH)(H)2{2|C<3>,2|N<3>,3|H<1>}	C[6](C[6]N[6,6]HH)2(H)2{1|C<3>,2|C<4>}	H(C[6]N[6,6]C[6]H)	109.4648	0.269	6	109.4648	0.072	6	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]N[6,6]C[6]H)	109.0480	0.011	2	109.0480	0.000	2	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]N[6,6]C[6]H)	109.5293	0.031	3	109.4274	0.022	5	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]N[6,6]C[6]H)	109.2745	0.081	2	109.4274	0.022	5	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	108.9173	0.774	3	108.9173	0.599	3	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	H(C[6]N[6,6]C[6]H)	109.6885	0.026	2	109.7042	0.007	6	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<2>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{2|C<3>}	H(C[6]N[6,6]C[6]H)	109.7120	0.109	4	109.7042	0.007	6	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]N[6,6]C[6]H)	109.7080	0.008	2	109.7080	0.000	2	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]Ga[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)2(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]Ga[3x6]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	C[6](C[6]N[6,6]HH)2(H)2{1|Ga<5>,2|C<3>}	H(C[6]N[6,6]C[6]H)	109.3847	0.147	4	109.3847	0.022	4	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]In[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)2(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]In[3x6]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	C[6](C[6]N[6,6]HH)2(H)2{1|In<5>,2|C<3>}	H(C[6]N[6,6]C[6]H)	109.1386	0.177	8	109.1386	0.031	8	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|H<1>,1|N<3>}	H(C[6]N[6,6]C[6]H)	109.7210	0.020	2	110.2382	2.531	14	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(C[6]N[6,6]C[6]H)	109.6017	0.072	3	110.2382	2.531	14	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>}	H(C[6]N[6,6]C[6]H)	109.5994	0.135	5	110.2382	2.531	14	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,1|P<4>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]N[6,6]C[6]H)	111.7728	2.556	4	110.2382	2.531	14	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]N[6,6]P[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]N[6,6]P[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|S<1>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,1|P<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	111.9652	1.835	4	111.9652	3.367	4	109.5586	0.791	1080	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2	C[6](C[6]N[6,6]HH)(S[6]C[6]OO)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2{2|O<1>,3|C<4>,3|H<1>}	C[6](C[6]N[6,6]HH)(S[6]C[6]OO)(H)2{2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	108.6505	0.076	2	108.6505	0.006	2	107.7045	1.809	8	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2	C[6](C[6]N[6,6]HH)(S[6]N[6,6]OO)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2{1|N<3>,1|O<2>,2|O<1>,4|H<1>}	C[6](C[6]N[6,6]HH)(S[6]N[6,6]OO)(H)2{3|C<4>}	H(C[6]N[6,6]C[6]H)	108.7525	1.139	2	107.3892	2.054	6	107.7045	1.809	8	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2	C[6](C[6]N[6,6]HH)(S[6]N[6,6]OO)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2{2|N<3>,2|O<1>,4|H<1>}	C[6](C[6]N[6,6]HH)(S[6]N[6,6]OO)(H)2{3|C<4>}	H(C[6]N[6,6]C[6]H)	106.7075	1.064	4	107.3892	2.054	6	107.7045	1.809	8	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<4>}	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	109.3445	0.036	2	109.0560	0.047	12	109.1564	0.105	14	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|N<4>,3|H<1>,4|C<4>}	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	108.9983	0.189	10	109.0560	0.047	12	109.1564	0.105	14	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6]Cu)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|Cu<6>,1|C<5>,1|H<1>,1|N<4>,4|C<4>}	C[6](N[6,6]C[3x6]C[6]Cu)(C[6]N[6,6]HH)(H)2{1|N<4>,2|H<1>,4|C<4>}	H(C[6]N[6,6]C[6]H)	109.7585	0.011	2	109.7585	0.000	2	109.1564	0.105	14	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6a]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6a]C[6]H)	C[6](N[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|S<1>,2|H<1>,2|N<3>}	C[6](C[6]N[6,6a]HH)(C[6]N[6,6]HH)(H)2{3|C<3>}	H(C[6]N[6,6a]C[6]H)	109.5715	0.005	2	109.5715	0.000	2	109.0988	0.175	33	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6,6a]HH)(H)2	H(C[6]N[6,6a]C[6]H)	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]N[6,6a]HH)(H)2{3|C<3>}	H(C[6]N[6,6a]C[6]H)	109.3647	0.163	10	109.3647	0.027	10	109.0988	0.175	33	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6a]HH)(H)2	H(C[6]N[6,6a]C[6]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6a]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]N[6,6a]C[6]H)	108.7263	0.343	3	108.7263	0.118	3	109.0988	0.175	33	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6a]C[6]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[6](C[6]N[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]N[6,6a]C[6]H)	108.7792	0.267	14	108.7792	0.071	14	109.0988	0.175	33	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6a]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6a]C[6]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]N[6,6a]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]N[6,6a]C[6]H)	109.8190	0.042	2	109.5953	0.067	4	109.0988	0.175	33	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6a]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6a]C[6]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]N[6,6a]HH)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	H(C[6]N[6,6a]C[6]H)	109.3715	0.011	2	109.5953	0.067	4	109.0988	0.175	33	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[4,6]HH)(H)2	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[4,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	108.5238	0.938	6	108.5238	0.880	6	108.5238	0.880	6	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,2|N<2>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.7295	0.070	4	109.7295	0.005	4	109.7295	0.005	4	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]C[6]N[6]H)	112.1320	0.267	2	112.1320	0.071	2	109.7865	7.369	4	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(H)2{1|Pd<4>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	107.4410	0.174	2	107.4410	0.030	2	109.7865	7.369	4	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]S)(C[6]C[6]FH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(F)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]S)(C[6]C[6]FH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(F)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	H(C[6]C[6]N[6]H)	109.1960	0.037	2	109.1960	0.001	2	109.1960	0.001	2	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]B[5a]Ge[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]B[5a]Ge[6])(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,3|N<3>}	C[6](C[6]N[6]HH)2(H)2{1|Ge<4>,2|B<3>}	H(C[6]C[6]N[6]H)	108.6013	0.059	3	108.7592	0.043	6	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]B[5a]Ge[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]B[5a]Ge[6])(C[6]C[6]HH)(H)2{2|H<1>,3|N<3>}	C[6](C[6]N[6]HH)2(H)2{1|Ge<2>,2|B<3>}	H(C[6]C[6]N[6]H)	108.9170	0.169	3	108.7592	0.043	6	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]B[6,6]C[6,6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]B[6,6]C[6,6])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|B<3>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.3030	0.000	1	109.3030	0.000	1	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2{1|F<1>,1|N<3>,1|N<4>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,1|H<1>,1|P<4>}	H(C[6]C[6]N[6]H)	109.7553	0.074	8	109.4815	0.060	53	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2{1|F<1>,2|H<1>,2|N<4>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,1|H<1>,1|P<4>}	H(C[6]C[6]N[6]H)	109.1125	0.018	2	109.4815	0.060	53	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2{1|N<3>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,1|H<1>,1|P<4>}	H(C[6]C[6]N[6]H)	109.4581	0.184	14	109.4815	0.060	53	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|B<3>,1|C<4>,1|P<3>}	H(C[6]C[6]N[6]H)	109.4262	0.152	5	109.4815	0.060	53	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|B<3>,1|C<4>,1|P<4>}	H(C[6]C[6]N[6]H)	109.4461	0.265	24	109.4815	0.060	53	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.2733	0.034	4	108.9821	0.193	8	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	108.2825	0.011	2	108.9821	0.193	8	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2{1|O<2>,3|C<4>}	H(C[6]C[6]N[6]H)	109.0995	0.018	2	108.9821	0.193	8	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,4x6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,4x6]HH)(C[6]N[6]HH)(H)2{4|C<4>}	H(C[6]C[6]N[6]H)	108.3430	0.023	2	108.3430	0.001	2	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[3x6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[3x6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]N[6]H)	108.6610	0.000	1	109.6450	6.812	9	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[3x6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[3x6]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7680	2.762	8	109.6450	6.812	9	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[4,5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[4,5]C[6])(C[6]C[6]HH)(H)2{1|B<4>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4585	0.011	2	109.4585	0.000	2	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5151	0.113	8	109.5448	0.009	23	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5336	0.102	7	109.5448	0.009	23	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6138	0.079	4	109.5448	0.009	23	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2{1|Sn<5>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5550	0.030	4	109.5448	0.009	23	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[4a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[4a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5792	0.055	6	109.5792	0.003	6	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2{4|C<4>}	H(C[6]C[6]N[6]H)	108.6612	0.064	4	108.6612	0.004	4	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.8130	0.000	2	109.8130	0.000	2	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5820	0.238	10	109.5820	0.056	10	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.9160	0.025	2	108.9160	0.001	2	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6,6]S)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6,6]S)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[6]C[6]N[6]H)	108.9760	0.013	2	108.9760	0.000	2	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6]B[5a])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]B[5a])(C[6]C[6]HH)(H)2{1|B<4>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	108.7065	0.317	2	108.7065	0.101	2	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,3x6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[5,3x6]HO)(C[6]N[6]HH)(H)2{4|C<4>}	H(C[6]C[6]N[6]H)	109.1997	0.076	4	109.1997	0.006	4	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.1585	0.008	2	109.1585	0.000	2	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6]H)	109.3653	0.193	3	109.3653	0.037	3	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6]H)	109.4855	0.078	4	109.3482	0.099	5	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	108.7990	0.000	1	109.3482	0.099	5	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]N[6]H)	108.3070	3.275	2	108.3070	10.728	2	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|S<2>,3|C<4>}	H(C[6]C[6]N[6]H)	108.7825	0.011	2	109.3462	0.281	5	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7220	0.180	3	109.3462	0.281	5	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.5632	0.036	4	109.4129	0.022	10	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.3305	0.115	4	109.4129	0.022	10	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.2770	0.031	2	109.4129	0.022	10	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C[6])(C[6]C[6]HH)(H)2{1|Pd<4>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.7998	0.193	4	109.7998	0.037	4	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.8225	0.015	2	109.8225	0.000	2	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	109.2300	0.048	2	109.2300	0.002	2	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	108.9130	0.000	1	109.3583	0.161	7	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.8760	0.023	2	109.3583	0.161	7	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	109.2108	0.218	4	109.3583	0.161	7	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>}	H(C[6]C[6]N[6]H)	109.9290	0.010	2	109.9290	0.000	2	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]N[6]H)	109.3015	0.025	2	109.0797	0.033	6	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[6]C[6]N[6]H)	108.9688	0.077	4	109.0797	0.033	6	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4905	0.050	2	109.4905	0.003	2	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6]Sb)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]Sb)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{1|Sb<5>,1|C<3>,1|P<3>}	H(C[6]C[6]N[6]H)	109.5063	0.028	3	109.5063	0.001	3	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5542	0.073	4	109.5121	0.005	8	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4700	0.039	4	109.5121	0.005	8	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4533	0.397	6	109.5082	0.168	127	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|B<4>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2027	0.144	4	109.5082	0.168	127	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7580	0.041	3	109.5082	0.168	127	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6191	0.134	50	109.5082	0.168	127	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6668	0.109	16	109.5082	0.168	127	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6043	0.205	9	109.5082	0.168	127	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|S<2>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4745	0.124	4	109.5082	0.168	127	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|Fe<10>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.6680	0.004	2	109.5082	0.168	127	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7043	0.038	4	109.5082	0.168	127	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7398	0.139	4	109.5082	0.168	127	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|Se<2>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	107.6185	0.369	4	109.5082	0.168	127	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|Ti<13>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3526	0.106	7	109.5082	0.168	127	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7505	0.067	4	109.5082	0.168	127	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4715	0.109	10	109.5082	0.168	127	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	108.8555	0.074	6	108.8555	0.006	6	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>}	H(C[6]C[6]N[6]H)	109.2735	0.037	2	109.2735	0.001	2	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5a,6]Co)(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a,6]Co)(C[6]C[6]HH)(H)2{1|N<3>,1|S<2>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2{1|Co<5>,2|C<3>}	H(C[6]C[6]N[6]H)	109.0660	0.028	2	109.0660	0.001	2	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5a,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[6]N[6]H)	109.7975	0.050	2	109.7975	0.003	2	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7866	0.793	25	109.5960	0.234	80	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4903	0.195	24	109.5960	0.234	80	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5011	0.161	27	109.5960	0.234	80	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6790	0.362	4	109.5960	0.234	80	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]Al)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Al)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Al<4>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.8523	0.071	7	109.8523	0.005	7	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,5,6,6]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	110.2955	0.977	4	110.2955	0.955	4	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	108.4435	0.022	2	109.8385	2.065	6	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2{4|C<4>}	H(C[6]C[6]N[6]H)	111.4315	1.128	2	109.8385	2.065	6	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.6405	0.066	2	109.8385	2.065	6	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.5710	0.041	2	109.5710	0.002	2	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]N[6]H)	109.9715	2.188	2	109.9715	4.790	2	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.2670	0.049	2	109.2786	0.252	40	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.9460	0.110	4	109.2786	0.252	40	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{4|C<4>}	H(C[6]C[6]N[6]H)	109.7823	0.075	8	109.2786	0.252	40	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6]N[6]H)	108.7830	0.007	2	109.2786	0.252	40	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.2875	0.021	2	109.2786	0.252	40	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	108.7590	0.654	6	109.2786	0.252	40	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.3230	0.034	2	109.2786	0.252	40	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	108.4010	0.024	2	109.2786	0.252	40	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.1748	0.052	8	109.2786	0.252	40	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.2567	0.112	4	109.2786	0.252	40	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.4774	0.113	9	109.4361	0.019	11	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.2500	0.017	2	109.4361	0.019	11	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.8997	0.967	45	109.8562	0.907	48	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.2043	0.217	3	109.8562	0.907	48	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4913	0.175	3	109.3356	0.026	9	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2577	0.084	6	109.3356	0.026	9	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|N<3>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.8480	0.110	15	109.8480	0.012	15	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.7830	0.000	1	109.7830	0.000	1	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	110.6550	1.368	6	110.2108	0.824	15	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.9147	0.161	9	110.2108	0.824	15	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]Ce)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Ce)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Ce<13>,2|C<4>}	H(C[6]C[6]N[6]H)	109.0837	0.050	4	109.0837	0.002	4	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]Cu)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Cu)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Cu<4>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.1520	0.022	4	110.0302	1.784	16	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]Cu)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Cu)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Cu<2>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	111.9180	1.529	4	110.0302	1.784	16	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]Cu)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Cu)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Cu<3>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.4098	0.221	5	110.0302	1.784	16	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]Cu)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Cu)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Cu<4>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.7183	0.019	3	110.0302	1.784	16	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]Fe)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Fe)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Fe<4>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.6823	0.157	3	109.6823	0.025	3	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	107.2465	2.703	2	108.6395	9.417	6	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.3360	3.364	4	108.6395	9.417	6	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4502	0.046	4	109.4502	0.002	4	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	109.8243	0.151	12	110.0886	0.456	93	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.9410	0.434	4	110.0886	0.456	93	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	110.0995	0.039	4	110.0886	0.456	93	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.9365	0.015	2	110.0886	0.456	93	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.8560	0.100	2	110.0886	0.456	93	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	110.1537	0.764	69	110.0886	0.456	93	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]Ir)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Ir)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Ir<6>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.5550	0.025	2	109.5550	0.001	2	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]Li)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Li)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Li<4>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	108.3825	0.101	4	108.3825	0.010	4	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]Mn)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Mn)(C[6]C[6]HH)(H)2{1|N<3>,1|N<4>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Mn<9>,2|C<4>}	H(C[6]C[6]N[6]H)	109.1060	0.000	1	109.1060	0.000	1	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]Mo)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Mo)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Mo<6>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.1625	0.022	2	109.1625	0.000	2	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]P)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]P)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|P<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.3225	0.016	2	109.3225	0.000	2	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]Pd)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Pd)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Pd<4>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.2978	0.225	5	109.6371	0.075	27	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]Pd)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Pd)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Pd<4>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.7054	0.034	8	109.6371	0.075	27	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]Pd)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Pd)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Pd<5>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.7192	0.280	14	109.6371	0.075	27	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]Re)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Re)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Re<6>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.0758	0.719	5	109.0758	0.517	5	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]Ru)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Ru)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Ru<5>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.5538	0.362	44	109.5924	0.318	85	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]Ru)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Ru)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Ru<6>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.2323	0.313	6	109.5924	0.318	85	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]Ru)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Ru)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Ru<7>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.8313	0.906	23	109.5924	0.318	85	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]Ru)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Ru)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Ru<8>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.3928	0.078	5	109.5924	0.318	85	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]Ru)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Ru)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Ru<9>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.5010	0.150	7	109.5924	0.318	85	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]S)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]S)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]N[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|S<4>}	H(C[6]C[6]N[6]H)	111.8260	1.113	2	111.8260	1.239	2	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]S)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]S)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.5360	0.024	2	109.5360	0.001	2	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]S)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]S)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]N[6]H)	109.3595	0.011	2	109.3595	0.000	2	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]S)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]S)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	H(C[6]C[6]N[6]H)	109.1488	0.130	5	109.1488	0.017	5	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]Si)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Si)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.0450	0.000	1	109.8885	0.393	46	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]Si)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Si)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.8954	0.633	43	109.8885	0.393	46	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]Si)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Si)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Si<5>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	110.1610	0.004	2	109.8885	0.393	46	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]Sm)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Sm)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Sm<14>,2|C<4>}	H(C[6]C[6]N[6]H)	108.6687	0.491	3	108.6687	0.241	3	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]Ta)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Ta)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Ta<7>,2|C<4>}	H(C[6]C[6]N[6]H)	110.2818	0.103	4	110.2818	0.011	4	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]U)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]U)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|U<14>,2|C<4>}	H(C[6]C[6]N[6]H)	109.7067	0.822	24	110.0535	2.671	32	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]U)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]U)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|U<15>,2|C<4>}	H(C[6]C[6]N[6]H)	111.0939	2.821	8	110.0535	2.671	32	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]W)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]W)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|W<6>}	H(C[6]C[6]N[6]H)	110.1367	1.482	6	110.1367	2.197	6	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]Zn)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Zn)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Zn<4>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.3509	0.493	8	109.3509	0.243	8	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]CC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]CC)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	108.9217	0.039	3	108.9217	0.001	3	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]C[6]C)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{1|C<2>,3|C<3>}	C[6](C[6]C[6,6a]C[6]C)(C[6]N[6]HH)(H)2{1|C<4>,4|C<3>}	H(C[6]C[6]N[6]H)	109.8420	0.099	2	109.8420	0.010	2	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]C[6a]2)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{4|C<3>}	C[6](C[6]C[6,6a]C[6a]2)(C[6]N[6]HH)(H)2{1|C<4>,6|C<3>}	H(C[6]C[6]N[6]H)	109.3340	0.000	1	109.3340	0.000	1	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.2335	0.509	18	109.2024	0.657	44	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2{3|C<3>}	H(C[6]C[6]N[6]H)	109.1809	0.976	26	109.2024	0.657	44	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6a]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6,6a]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.4660	0.004	2	109.4660	0.000	2	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2{3|C<3>}	H(C[6]C[6]N[6]H)	109.7878	0.145	4	109.6918	0.035	6	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2{3|C<3>}	H(C[6]C[6]N[6]H)	109.5000	0.040	2	109.6918	0.035	6	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]CC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]CC)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.7277	0.379	3	109.7277	0.144	3	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.8825	0.028	2	109.8825	0.001	2	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.4210	0.023	2	109.4210	0.001	2	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.8346	2.264	19	109.8346	5.124	19	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6a]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6,6a]HH)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.8960	0.008	2	109.8960	0.000	2	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]P)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]P)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2{1|P<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.4545	0.037	2	109.4545	0.001	2	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2{1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.2695	0.290	8	109.2695	0.084	8	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]N[4])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]N[4])(C[6]C[6]HH)(H)2{2|Ga<4>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6459	0.087	15	109.6459	0.008	15	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]P[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]P[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<2>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.1823	0.019	4	109.3247	0.035	11	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]P[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]P[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|N<2>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6090	0.010	3	109.3247	0.035	11	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]P[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]P[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|N<2>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2540	0.034	4	109.3247	0.035	11	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5]N[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5]N[6]H)(C[6]N[6]HH)(H)2{1|Fe<10>,2|C<4>,3|C<3>}	H(C[6]C[6]N[6]H)	109.7135	0.112	6	109.7135	0.013	6	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2613	0.252	3	109.2613	0.064	3	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.5935	2.396	2	108.5935	5.743	2	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6720	0.231	4	109.4937	0.054	22	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|N<3>,2|C<3>}	H(C[6]C[6]N[6]H)	109.5310	0.020	2	109.4937	0.054	22	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3197	0.070	4	109.4937	0.054	22	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4828	0.278	10	109.4937	0.054	22	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.5025	0.149	2	109.4937	0.054	22	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.7780	0.781	4	109.7780	0.610	4	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.4730	1.372	2	110.4730	1.882	2	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5347	0.553	118	109.5509	0.252	557	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6]H)	109.8287	0.120	12	109.5509	0.252	557	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<4>}	H(C[6]C[6]N[6]H)	109.6740	0.018	2	109.5509	0.252	557	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6650	0.121	19	109.5509	0.252	557	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	108.6790	0.023	2	109.5509	0.252	557	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5338	0.537	345	109.5509	0.252	557	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<2>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6081	0.160	53	109.5509	0.252	557	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<2>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.9165	0.047	2	109.5509	0.252	557	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4580	0.010	2	109.5509	0.252	557	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{3|C<3>}	H(C[6]C[6]N[6]H)	109.6780	0.052	2	109.5509	0.252	557	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9000	0.220	3	109.5754	0.109	7	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3320	0.045	4	109.5754	0.109	7	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	106.7337	5.063	8	106.7337	25.637	8	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.2120	0.013	2	109.2120	0.000	2	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]OO)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]OO)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4147	0.099	3	109.4147	0.010	3	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	108.4610	0.444	2	109.1545	0.329	6	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.5012	0.043	4	109.1545	0.329	6	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.1130	0.010	2	109.1130	0.000	2	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2{3|C<3>}	H(C[6]C[6]N[6]H)	109.4775	2.293	2	109.4775	5.259	2	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Al<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{3|C<3>}	H(C[6]C[6]N[6]H)	109.8970	0.954	20	109.7501	0.243	192	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|B<3>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{3|C<3>}	H(C[6]C[6]N[6]H)	109.9965	0.861	8	109.7501	0.243	192	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|B<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{3|C<3>}	H(C[6]C[6]N[6]H)	109.8525	0.933	4	109.7501	0.243	192	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{3|C<3>}	H(C[6]C[6]N[6]H)	109.6060	0.104	19	109.7501	0.243	192	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)2(H)2{3|C<3>}	H(C[6]C[6]N[6]H)	109.6755	0.009	2	109.7501	0.243	192	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.4827	0.236	4	109.7501	0.243	192	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Ga<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{3|C<3>}	H(C[6]C[6]N[6]H)	109.5949	0.223	8	109.7501	0.243	192	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|In<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{3|C<3>}	H(C[6]C[6]N[6]H)	109.8250	0.086	4	109.7501	0.243	192	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Ir<3>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{3|C<3>}	H(C[6]C[6]N[6]H)	109.7965	1.425	4	109.7501	0.243	192	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Ir<6>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{3|C<3>}	H(C[6]C[6]N[6]H)	109.8415	0.171	4	109.7501	0.243	192	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|P<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{3|C<3>}	H(C[6]C[6]N[6]H)	109.6317	0.484	4	109.7501	0.243	192	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|C<2>,1|C<3>,1|P<3>}	H(C[6]C[6]N[6]H)	110.5830	0.789	4	109.7501	0.243	192	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|C<2>,2|C<3>}	H(C[6]C[6]N[6]H)	109.7656	0.200	5	109.7501	0.243	192	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.7253	0.103	6	109.7501	0.243	192	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|Pd<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.7610	0.083	2	109.7501	0.243	192	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]N[6]HH)2(H)2{3|C<3>}	H(C[6]C[6]N[6]H)	109.8082	0.116	17	109.7501	0.243	192	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|C<3>,1|C<4>,1|P<4>}	H(C[6]C[6]N[6]H)	109.4635	0.026	2	109.7501	0.243	192	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Ni<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{3|C<3>}	H(C[6]C[6]N[6]H)	109.6850	0.046	8	109.7501	0.243	192	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Ni<3>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{3|C<3>}	H(C[6]C[6]N[6]H)	109.7516	0.076	10	109.7501	0.243	192	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Ni<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{3|C<3>}	H(C[6]C[6]N[6]H)	109.7141	0.164	17	109.7501	0.243	192	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Ni<7>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{3|C<3>}	H(C[6]C[6]N[6]H)	109.6954	0.086	12	109.7501	0.243	192	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Pd<5>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{3|C<3>}	H(C[6]C[6]N[6]H)	109.7179	0.194	8	109.7501	0.243	192	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Rh<6>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{3|C<3>}	H(C[6]C[6]N[6]H)	109.6393	0.676	12	109.7501	0.243	192	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Sb<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{3|C<3>}	H(C[6]C[6]N[6]H)	109.5135	0.228	4	109.7501	0.243	192	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Si<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.7775	0.036	4	109.7501	0.243	192	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6]H)	109.9250	0.004	2	110.0260	0.006	12	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6]H)	110.0307	0.058	7	110.0260	0.006	12	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6]H)	110.0823	0.088	3	110.0260	0.006	12	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]Ga[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]Ga[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|P<3>,2|H<1>,3|N<3>}	C[6](C[6]N[6]HH)2(H)2{1|Ga<4>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.0835	0.049	2	109.0835	0.002	2	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,2|N<2>}	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|P<4>}	H(C[6]C[6]N[6]H)	109.4305	0.009	2	109.4305	0.000	2	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	C[6](C[6]N[6]HH)2(H)2{1|C<4>,1|H<1>,1|P<4>}	H(C[6]C[6]N[6]H)	109.0658	0.155	36	109.2651	0.199	87	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	C[6](C[6]N[6]HH)2(H)2{1|C<4>,2|P<4>}	H(C[6]C[6]N[6]H)	109.2555	0.050	2	109.2651	0.199	87	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	C[6](C[6]N[6]HH)2(H)2{1|P<4>,2|C<4>}	H(C[6]C[6]N[6]H)	109.5001	0.589	37	109.2651	0.199	87	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,3|N<2>}	C[6](C[6]N[6]HH)2(H)2{1|C<4>,1|P<4>}	H(C[6]C[6]N[6]H)	109.1402	0.118	12	109.2651	0.199	87	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,2|N<2>}	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{1|H<1>,1|P<4>}	H(C[6]C[6]N[6]H)	109.4614	0.805	46	109.4614	0.649	46	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	C[6](C[6]N[6]HH)2(H)2{1|C<4>,1|H<1>,1|P<4>}	H(C[6]C[6]N[6]H)	109.2515	1.166	36	109.2076	1.263	40	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	C[6](C[6]N[6]HH)2(H)2{1|P<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.8127	0.579	4	109.2076	1.263	40	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]P[6,6]P[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]P[6,6]P[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|O<2>,2|H<1>,4|N<2>}	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{2|P<4>}	H(C[6]C[6]N[6]H)	109.6437	0.157	6	109.6437	0.025	6	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]P[6,6]P[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]P[6,6]P[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|H<1>,4|N<2>}	C[6](C[6]N[6]HH)2(H)2{1|C<4>,2|P<4>}	H(C[6]C[6]N[6]H)	109.2465	0.015	2	109.2465	0.000	2	109.5633	0.618	2079	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HI)(H)2	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)(I)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HI)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)(I){1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.5450	0.020	2	109.5450	0.000	2	109.5450	0.000	2	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8193	0.094	6	109.6432	0.035	13	109.5541	0.228	710	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4923	0.070	7	109.6432	0.035	13	109.5541	0.228	710	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8763	0.071	3	109.6319	0.040	15	109.5541	0.228	710	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5707	0.173	12	109.6319	0.040	15	109.5541	0.228	710	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.9630	0.213	4	108.9630	0.046	4	109.5541	0.228	710	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2{1|Se<1>,2|H<1>,2|N<3>,3|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5177	0.090	12	109.5177	0.008	12	109.5541	0.228	710	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6834	0.147	25	109.5794	0.247	206	109.5541	0.228	710	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6893	0.345	7	109.5794	0.247	206	109.5541	0.228	710	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5499	0.533	168	109.5794	0.247	206	109.5541	0.228	710	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.3840	0.147	2	109.5794	0.247	206	109.5541	0.228	710	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<4>,2|N<2>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5720	0.163	4	109.5794	0.247	206	109.5541	0.228	710	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2686	1.205	11	109.5438	0.235	460	109.5541	0.228	710	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5430	0.475	405	109.5438	0.235	460	109.5541	0.228	710	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.4876	0.353	5	109.5438	0.235	460	109.5541	0.228	710	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|N<2>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6377	0.091	39	109.5438	0.235	460	109.5541	0.228	710	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6]AlC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|Al<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6]AlC)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5780	2.719	7	109.5780	7.392	7	109.5237	2.490	19	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6]CuH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|Cu<4>,1|C<4>,2|N<2>,3|H<1>}	C[6](N[6]C[6]CuH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4920	0.200	12	109.4920	0.040	12	109.5237	2.490	19	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C[6a])(C[6]P[6]HH)(H)2	C[6](P[6]C[6,6a]C[6a]2)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C[6a])(C[6]P[6]HH)(H)2{6|C<3>}	C[6](P[6]C[6,6a]C[6a]2)(C[6]N[6]HH)(H)2{7|C<3>}	H(C[6]C[6]N[6]H)	109.3607	0.082	4	109.3607	0.007	4	109.3607	0.007	4	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6]H)(C[6]S[6]HH)(H)2	C[6](S[6]C[5,6]OO)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]H)(C[6]S[6]HH)(H)2{1|H<1>,2|C<4>,2|O<1>}	C[6](S[6]C[5,6]OO)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7680	0.040	2	109.7680	0.002	2	109.7680	0.002	2	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	O[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]P[6,6]P[6])(C[6]C[6]HH)(H)2	C[6](C[6]O[6]HH)2(H)2	H(C[6]C[6]O[6]H)	C[6](O[6]P[6,6]P[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|O<2>,2|H<1>,4|N<2>}	C[6](C[6]O[6]HH)2(H)2{2|P<4>}	H(C[6]C[6]O[6]H)	109.8880	0.008	2	109.8880	0.000	2	109.8880	0.000	2	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	P[6]-3:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6]C[6a]C[6])(C[6]B[6]HH)(H)2	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]C[6])(C[6]B[6]HH)(H)2{2|O<2>,4|C<3>}	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2{6|C<3>}	H(C[6]C[6]P[6]H)	110.4510	0.000	1	110.4510	0.000	1	110.4510	0.000	1	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	S[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](S[6]B[4x3,4x5,4x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](S[6]B[4x3,4x5,4x6]C[6])(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>,4|B<6>}	C[6](C[6]C[6]CH)(C[6]S[6]HH)(H)2{1|B<5>,1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	111.6163	2.417	4	111.6163	5.840	4	110.0461	2.684	14	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	S[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](S[6]B[5x3,5x5,20x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](S[6]B[5x3,5x5,20x6]C[6])(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>,5|B<6>}	C[6](C[6]C[6]CH)(C[6]S[6]HH)(H)2{1|B<6>,1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	109.7133	0.108	8	109.7133	0.012	8	110.0461	2.684	14	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	S[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](S[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]S[6]HH)2(H)2	H(C[6]C[6]S[6]H)	C[6](S[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]S[6]HH)2(H)2{1|C<4>,1|O<1>}	H(C[6]C[6]S[6]H)	108.2370	0.011	2	108.2370	0.000	2	110.0461	2.684	14	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	Se[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](Se[6,6]Ga[4x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]Se[6,6]HH)2(H)2	H(C[6]Se[6,6]C[6]H)	C[6](Se[6,6]Ga[4x6]C[6])(C[6]C[6]HH)(H)2{2|Cl<1>,3|Se<3>,1|C<4>,4|H<1>}	C[6](C[6]Se[6,6]HH)2(H)2{1|Ga<6>,2|C<4>}	H(C[6]Se[6,6]C[6]H)	108.9076	0.346	14	108.9076	0.119	14	108.9290	0.122	22	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:1:1:	4:	Se[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](Se[6,6]In[4x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]Se[6,6]HH)2(H)2	H(C[6]Se[6,6]C[6]H)	C[6](Se[6,6]In[4x6]C[6])(C[6]C[6]HH)(H)2{2|Cl<1>,3|Se<3>,1|C<4>,4|H<1>}	C[6](C[6]Se[6,6]HH)2(H)2{1|In<6>,2|C<4>}	H(C[6]Se[6,6]C[6]H)	108.9666	0.375	8	108.9666	0.141	8	108.9290	0.122	22	109.3951	0.861	10406	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[3x6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]2)(C[6]C[6]HO)(H)2	C[6](C[6]C[3x6]HH)(C[6]O[6]CC)(OH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]2)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[6](C[6]C[3x6]HH)(C[6]O[6]CC)(OH)(H){1|C<3>,1|C<4>}	H(C[6]C[3x6]C[6]H)	109.7700	0.024	2	109.7700	0.001	2	109.7700	0.001	2	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2)(C[6]C[6,6]HO)(H)2{1|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.6225	0.012	2	109.6225	0.000	2	109.0998	0.288	6	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,6|C<4>}	H(C[6]C[5,6]C[6]H)	108.4445	0.019	2	108.8385	0.207	4	109.0998	0.288	6	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HO)(H)2{1|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.2325	0.022	2	108.8385	0.207	4	109.0998	0.288	6	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(OSi)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2{1|O<1>,2|O<2>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(OSi)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5,6]C[6]H)	109.8218	0.028	8	109.8218	0.001	8	109.8218	0.001	8	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5a,6]HH)(OSi)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HO)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5a,6]HH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	110.0235	0.033	4	110.0235	0.001	4	110.0235	0.001	4	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CO)(OH)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(H)2{1|C<4>,2|O<2>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CO)(OH)(H){1|O<1>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	109.9243	0.037	8	109.9243	0.001	8	109.7341	0.163	10	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HO)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5a,6]C[6]H)	108.9735	0.086	2	108.9735	0.007	2	109.7341	0.163	10	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]O[6]H)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]2H)(O[6]C[6])(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]O[6]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]2H)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[5a,6]C[6]H)	110.2710	0.031	4	110.2710	0.001	4	110.2710	0.001	4	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[3,5,6]HO)(H)2	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[3,5,6]HO)(H)2{1|O<2>,6|C<4>}	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0555	0.074	4	109.0555	0.005	4	109.0555	0.005	4	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.4200	0.000	1	109.4200	0.000	1	109.4200	0.000	1	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.1530	1.126	2	109.1530	1.267	2	109.1530	1.267	2	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HS)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(SC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HS)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(SC)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1974	0.247	9	109.1974	0.061	9	109.1974	0.061	9	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	107.9785	1.494	2	107.9785	2.232	2	109.0716	0.932	7	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NN)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NN)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.5088	0.065	5	109.5088	0.004	5	109.0716	0.932	7	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HO)(H)2{2|H<1>,5|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	108.6050	0.000	1	108.6050	0.000	1	109.2420	0.147	233	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H){1|C<3>,1|C<4>}	H(C[6]C[6,6]C[6]H)	109.1365	1.859	2	109.1365	3.456	2	109.2420	0.147	233	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.6240	0.458	3	109.3497	0.224	102	109.2420	0.147	233	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3414	0.474	99	109.3497	0.224	102	109.2420	0.147	233	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC[5])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC[5])(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0927	0.017	3	109.0927	0.000	3	109.2420	0.147	233	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9670	0.013	2	109.1512	0.048	111	109.2420	0.147	233	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1546	0.220	109	109.1512	0.048	111	109.2420	0.147	233	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OP)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OP)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1560	0.021	2	109.1560	0.000	2	109.2420	0.147	233	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OS)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OS)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2972	0.114	8	109.2972	0.013	8	109.2420	0.147	233	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(OH)(H){1|C<4>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.2720	0.052	4	109.2720	0.003	4	109.2420	0.147	233	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(OH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	108.8100	0.200	5	108.8100	0.040	5	108.8712	0.054	6	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(OH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(OH)(H){1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1770	0.000	1	109.1770	0.000	1	108.8712	0.054	6	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(CC[6a]CO)(O[6]C[6])(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]HH)(CC[6a]CO)(O[6]C[6])(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5830	0.008	2	109.5830	0.000	2	109.5487	0.001	6	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(CC[6a]HH)(O[6]C[6])(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(CC[6a]HH)(O[6]C[6])(H){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5315	0.023	4	109.5315	0.001	4	109.5487	0.001	6	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN)(H){1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4255	0.327	2	109.4255	0.107	2	109.4255	0.107	2	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]CC)(OC)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]CC)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.4960	0.031	2	108.4960	0.001	2	108.8954	1.642	110	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(OH)(H){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9171	0.220	8	108.9171	0.048	8	108.8954	1.642	110	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(OH)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	107.8255	0.596	2	107.8255	0.355	2	108.8954	1.642	110	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(OH)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	111.0910	8.819	2	111.0910	77.775	2	108.8954	1.642	110	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(OH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(OH)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.6195	0.013	2	108.6195	0.000	2	108.8954	1.642	110	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(OC)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(OC)(H){1|Cl<1>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4580	0.010	2	109.4580	0.000	2	108.8954	1.642	110	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2360	0.010	2	109.2360	0.000	2	108.8954	1.642	110	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(OH)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1945	1.334	2	109.1945	1.780	2	108.8954	1.642	110	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9796	0.400	20	108.9796	0.160	20	108.8954	1.642	110	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OH)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.4910	0.985	31	108.4910	0.969	31	108.8954	1.642	110	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(OC)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(OC)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	104.8955	1.517	2	104.8955	2.301	2	108.8954	1.642	110	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(OH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(OH)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0995	1.199	2	109.0995	1.437	2	108.8954	1.642	110	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OC)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OC)(H){2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4745	0.076	2	109.4745	0.006	2	108.8954	1.642	110	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OH)(H){2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5047	0.162	6	109.5777	0.025	10	108.8954	1.642	110	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OH)(H){2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6873	0.070	4	109.5777	0.025	10	108.8954	1.642	110	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(OS)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(OS)(H){2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.7770	0.000	1	109.7770	0.000	1	108.8954	1.642	110	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(OH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(OH)(H){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.5900	0.385	2	108.5900	0.148	2	108.8954	1.642	110	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(OH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(OH)(H){4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.7000	0.033	5	109.6864	0.001	7	108.8954	1.642	110	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(OH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(OH)(H){4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6525	0.005	2	109.6864	0.001	7	108.8954	1.642	110	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(OS)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(OS)(H){4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2027	0.012	4	109.2027	0.000	4	108.8954	1.642	110	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H){2|C<3>,2|O<2>}	H(C[6]C[6,6a]C[6]H)	109.3820	0.033	2	109.3820	0.001	2	108.8954	1.642	110	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HI)(OH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|I<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HI)(OH)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.6135	0.013	2	108.6135	0.000	2	108.8954	1.642	110	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(OH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(OH)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7423	0.025	3	108.7423	0.001	3	108.8954	1.642	110	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(SC[6a])(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(SC[6a])(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.6903	0.031	3	108.6903	0.001	3	109.1433	0.534	13	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(SC)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(SC)(H){2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5920	0.058	2	109.5920	0.003	2	109.1433	0.534	13	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2{1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC)(H){4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4385	0.028	2	109.3740	0.007	4	109.1433	0.534	13	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC)(H){1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3095	0.069	2	109.3740	0.007	4	109.1433	0.534	13	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HS)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(SC[6a])(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HS)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(SC[6a])(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0280	1.303	4	109.0280	1.697	4	109.1433	0.534	13	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Se-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SeH)(H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(SeC[6a])(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SeH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(SeC[6a])(H){4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4200	0.079	2	109.4200	0.006	2	109.4200	0.006	2	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6]-3:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(Cl)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]ClH)(OC)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(Cl)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]ClH)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2Cl)	108.7430	0.000	1	108.7430	0.000	1	108.7430	0.000	1	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]O)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.7655	0.013	2	109.7655	0.000	2	109.0694	0.570	62	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.0100	0.021	2	109.0100	0.000	2	109.0694	0.570	62	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6560	0.057	2	108.6560	0.003	2	109.0694	0.570	62	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8230	0.000	1	108.8230	0.000	1	109.0694	0.570	62	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(OSi)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.8120	0.017	2	108.8120	0.000	2	109.0694	0.570	62	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OC)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.3595	0.009	2	108.3595	0.000	2	109.0694	0.570	62	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(H)2	C[6](C[6]N[5a,6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[5a,6]CH)(C[6]C[6]HH)(OH)(H){1|O<1>,2|C<3>}	H(C[6]C[6]2H)	108.9967	0.053	3	108.9967	0.003	3	109.0694	0.570	62	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.3255	0.049	2	109.3255	0.002	2	109.0694	0.570	62	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(H)2{1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.8357	0.111	8	108.8357	0.012	8	109.0694	0.570	62	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.1637	0.351	18	109.1637	0.123	18	109.0694	0.570	62	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.7013	2.947	4	109.7013	8.687	4	109.0694	0.570	62	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(OH)(H){1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.0515	0.132	8	109.0515	0.017	8	109.0694	0.570	62	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(OH)(H){1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.1142	0.078	4	109.1142	0.006	4	109.0694	0.570	62	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6])(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){1|N<2>,2|C<3>}	H(C[6]C[6]2H)	109.4020	0.038	2	109.4020	0.001	2	109.0694	0.570	62	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.2610	0.013	2	108.2610	0.000	2	109.0694	0.570	62	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HS)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(SS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HS)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(SS)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.4760	0.102	3	108.4760	0.010	3	108.4382	0.008	5	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]HS)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]HS)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.3815	0.033	2	108.3815	0.001	2	108.4382	0.008	5	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(OC)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]N[5,6]C[6]H)	110.3820	0.057	2	110.3820	0.003	2	110.3053	0.011	4	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]O[5])(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(OC)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]O[5])(C[6]C[5,6]HO)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]N[5,6]C[6]H)	110.2285	0.086	2	110.2285	0.007	2	110.3053	0.011	4	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(NN)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(NN)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]N[5,6]C[6]H)	109.7445	0.019	2	109.7445	0.000	2	109.2182	0.243	5	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2	C[6](C[6]N[5,6]HH)2(NC)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]N[5,6]HH)2(NC)(H){3|C<4>}	H(C[6]N[5,6]C[6]H)	108.8673	0.157	3	108.8673	0.025	3	109.2182	0.243	5	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HO)(C[6]N[5,6]HH)(OH)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]N[5,6]HH)(OH)(H){4|C<4>}	H(C[6]N[5,6]C[6]H)	110.2675	0.045	2	110.2675	0.002	2	109.7354	0.092	16	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HN)(OH)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2{1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HN)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]N[5,6]C[6]H)	109.9210	0.054	2	109.9210	0.003	2	109.7354	0.092	16	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]N[5,6]C[6]H)	109.9060	0.011	2	109.9060	0.000	2	109.7354	0.092	16	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(OH)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,1|S<2>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(OH)(H){2|C<3>}	H(C[6]N[5,6]C[6]H)	109.4965	0.121	6	109.4965	0.015	6	109.7354	0.092	16	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HO)(H)2	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(OH)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(OH)(H){1|C<3>,1|N<2>}	H(C[6]N[5,6]C[6]H)	109.4060	0.025	2	109.6495	0.079	4	109.7354	0.092	16	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HO)(H)2	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(OH)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HO)(H)2{1|N<2>,1|N<3>,1|S<2>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(OH)(H){1|C<3>,1|N<2>}	H(C[6]N[5,6]C[6]H)	109.8930	0.006	2	109.6495	0.079	4	109.7354	0.092	16	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5a,6]HH)(OH)(H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5a,6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]N[5a,6]C[6]H)	110.0010	0.010	2	110.0010	0.000	2	109.9133	0.037	4	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5a,6]HH)(OH)(H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5a,6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[6]N[5a,6]C[6]H)	109.8255	0.285	2	109.8255	0.081	2	109.9133	0.037	4	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]O[6]CH)(H)2	C[6](C[6]N[5a,6]HH)(CN[5a]HH)(O[6]C[6])(H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]N[5a,6]HH)(CN[5a]HH)(O[6]C[6])(H){1|C<3>,1|N<2>,2|H<1>}	H(C[6]N[5a,6]C[6]H)	110.0923	0.110	3	110.0923	0.012	3	110.0923	0.012	3	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HO)(H)2	C[6](C[6]N[5a,6]HH)(C[6]S[6]HH)(OH)(H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HO)(H)2{1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]S[6]HH)(OH)(H){2|C<3>}	H(C[6]N[5a,6]C[6]H)	109.4080	0.021	2	109.4080	0.000	2	109.6490	0.078	4	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HO)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]CO)(OH)(H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]N[5a,6]C[6]H)	109.8900	0.027	2	109.8900	0.001	2	109.6490	0.078	4	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6,6]HH)(OC)(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6,6]HH)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]N[6,6]C[6]H)	109.9740	0.014	2	109.9740	0.000	2	109.6630	0.129	4	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6,6]HH)(OH)(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6,6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]N[6,6]C[6]H)	109.3520	0.018	2	109.3520	0.000	2	109.6630	0.129	4	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]N[6,6]C[6]H)	108.8050	0.119	2	108.8050	0.014	2	109.1798	0.668	10	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]N[6,6]C[6]H)	109.5087	1.316	4	109.2735	0.806	8	109.1798	0.668	10	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]N[6,6]C[6]H)	109.0383	0.036	4	109.2735	0.806	8	109.1798	0.668	10	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6](C[6]N[6,6a]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]N[6,6a]C[6]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[6](C[6]N[6,6a]HH)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	H(C[6]N[6,6a]C[6]H)	109.9635	1.262	2	109.9635	1.593	2	109.9635	1.593	2	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OC)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6]H)	110.0290	0.025	2	110.0290	0.001	2	109.5406	0.412	13	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[6]C[5a,6]D)(C[6]C[6]HO)(H)2	C[6](C[6]N[5a,6]N[6a]H)(C[6]N[6]HH)(OD)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a,6]D)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]N[5a,6]N[6a]H)(C[6]N[6]HH)(OD)(H){1|D<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.0590	1.717	2	109.0590	2.948	2	109.5406	0.412	13	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[6]C[6,6]S)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OSi)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]S)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	H(C[6]C[6]N[6]H)	109.0865	0.083	2	109.0865	0.007	2	109.5406	0.412	13	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(OH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(OH)(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.6270	0.000	1	109.6270	0.000	1	109.5406	0.412	13	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(OH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(OH)(H){1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.7405	0.022	2	109.7405	0.000	2	109.5406	0.412	13	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HO)(H)2	C[6](C[6]C[6a]O[6]H)(C[6]N[6]HH)(OH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HO)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]N[6]HH)(OH)(H){4|C<3>}	H(C[6]C[6]N[6]H)	109.2865	0.016	2	109.2865	0.000	2	109.5406	0.412	13	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[6]C[6a]O[6])(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OSi)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]O[6])(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OSi)(H){1|C<3>,1|H<1>,1|O<2>,1|P<4>}	H(C[6]C[6]N[6]H)	109.9990	0.049	2	109.9990	0.002	2	109.5406	0.412	13	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:2:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HS)(H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]HH)(SC[6a])(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]HS)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]HH)(SC[6a])(H){5|C<3>}	H(C[6]C[6]N[6]H)	109.7668	0.072	4	109.7668	0.005	4	109.7668	0.005	4	109.2204	0.585	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	110.5070	0.000	1	110.5070	0.000	1	110.7808	0.026	5	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5,6]C[6]H)	110.8492	0.058	4	110.8492	0.003	4	110.7808	0.026	5	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]HH)(CC[6a]O)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(H)2{1|C<4>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]HH)(CC[6a]O)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	110.0177	0.171	7	110.0177	0.029	7	110.0177	0.029	7	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(C[6a]C[6a]2)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(H)2{1|C<4>,1|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|N<3>,3|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	110.1245	0.018	2	110.1245	0.000	2	109.6338	0.154	6	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]HH)(C[6a]C[6a]2)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(H)2{1|C<4>,1|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|N<3>,3|H<1>,6|C<3>}	H(C[6]C[5a,6]C[6]H)	109.3885	0.125	4	109.3885	0.016	4	109.6338	0.154	6	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)(H){1|O<1>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	109.6620	0.049	2	109.6620	0.002	2	109.6620	0.002	2	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HN)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NCH)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HN)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NCH)(H){3|C<3>}	H(C[6]C[5a,6]C[6]H)	109.8070	0.034	3	109.8070	0.001	3	109.8955	0.037	8	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HN)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NCS)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HN)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NCS)(H){3|C<3>}	H(C[6]C[5a,6]C[6]H)	110.1220	0.095	2	110.1220	0.009	2	109.8955	0.037	8	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HN)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NOO)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NOO)(H){3|C<3>}	H(C[6]C[5a,6]C[6]H)	109.6965	0.012	2	109.6965	0.000	2	109.8955	0.037	8	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(NCS)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(NCS)(H){2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	110.1060	0.000	1	110.1060	0.000	1	109.8955	0.037	8	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(COO)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(COO)(H){1|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	109.4895	0.026	2	109.4895	0.001	2	109.5540	0.006	4	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(COO)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	109.6185	0.005	2	109.6185	0.000	2	109.5540	0.006	4	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[5a,6]-3:C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(NOO)(H)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(H)(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(NOO)(H){1|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6]O)	103.1660	0.000	1	103.1660	0.000	1	103.1660	0.000	1	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(COO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(COO)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8575	0.068	4	108.8575	0.005	4	108.8575	0.005	4	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]Br2)(COO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{2|Br<1>,1|C<3>,3|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6]Br2)(COO)(H){1|O<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.0845	0.039	2	109.0845	0.002	2	109.0176	0.018	14	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.0867	0.122	4	109.0842	0.007	8	109.0176	0.018	14	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.0817	0.024	4	109.0842	0.007	8	109.0176	0.018	14	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8508	0.098	4	108.8508	0.010	4	109.0176	0.018	14	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)(H)2{2|C<2>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	109.0995	0.009	2	109.0995	0.000	2	109.0995	0.000	2	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9997	0.218	6	108.9997	0.048	6	108.9997	0.048	6	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N[5]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(N[5]C[5]2)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N[5]H)(H)2{3|H<1>,6|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8830	0.353	4	108.8830	0.125	4	108.8830	0.125	4	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]HH)(COO)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(H)2{1|C<4>,1|N<3>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]HH)(COO)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	110.1140	0.524	5	110.1140	0.275	5	110.1140	0.275	5	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5]H)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]C[5]N[5])(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5]H)(H)2{1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]C[5]N[5])(H){2|H<1>,4|C<3>,4|C<4>}	H(C[6]C[6,6a]C[6]H)	108.0545	2.623	2	108.0545	6.878	2	108.0545	6.878	2	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)2{1|C<4>,1|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9590	0.041	2	108.9590	0.002	2	108.9590	0.002	2	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(CHN)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(CHN)(H){1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0070	0.031	2	109.0070	0.001	2	108.5514	1.237	8	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(CHO)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(CHO)(H){1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0075	0.006	2	109.0075	0.000	2	108.5514	1.237	8	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(CN[5]O)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(CN[5]O)(H){1|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.0955	1.527	4	108.0955	2.332	4	108.5514	1.237	8	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)2{1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9805	0.022	2	108.9805	0.000	2	108.9805	0.000	2	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]HN)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(NOO)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]HN)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6337	1.316	4	109.6337	1.732	4	109.6337	1.732	4	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)2	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)2{1|C<4>,1|H<1>,6|C<3>}	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(C[6a]C[6a]2)(H){2|N<3>,2|O<1>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1860	0.016	2	109.1860	0.000	2	109.1860	0.000	2	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B[5]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]B[5]C[6]H)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(B[5]O[5]2)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]B[5]C[6]H)(H)2{1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(B[5]O[5]2)(H){2|C<4>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8453	0.697	4	109.8453	0.486	4	109.8453	0.486	4	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO)(H){1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3515	1.853	2	109.3490	1.145	4	109.0499	0.271	17	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO)(H){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3465	0.033	2	109.3490	1.145	4	109.0499	0.271	17	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CCH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CCH)(H){1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1695	0.030	2	109.1695	0.001	2	109.0499	0.271	17	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(COO)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(COO)(H){1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9410	0.000	1	108.9410	0.000	1	109.0499	0.271	17	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(CCC)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(CCC)(H){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2090	0.000	1	109.2090	0.000	1	109.0499	0.271	17	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]HH)(CCO)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]HH)(CCO)(H){1|O<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.6655	0.039	2	108.6655	0.002	2	109.0499	0.271	17	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]HH)(CC[6a]O)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]HH)(CC[6a]O)(H){1|O<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9443	0.116	3	108.9443	0.013	3	109.0499	0.271	17	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]HH)(COO)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]HH)(COO)(H){1|O<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8170	0.069	2	108.8170	0.005	2	109.0499	0.271	17	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(CCO)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(CCO)(H){1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0830	0.010	2	109.0830	0.000	2	109.0499	0.271	17	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NCC)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NCC)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9185	2.242	2	108.9185	5.028	2	109.7396	2.071	14	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NCH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NCH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6460	0.066	2	109.6460	0.004	2	109.7396	2.071	14	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NC[6]H)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NC[6]H)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	112.0990	2.850	2	112.0990	8.120	2	109.7396	2.071	14	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(NHS)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(NHS)(H){1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2580	0.011	2	109.2580	0.000	2	109.7396	2.071	14	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(NC[6a]H)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(NC[6a]H)(H){2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1780	0.007	2	109.1780	0.000	2	109.7396	2.071	14	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(NOO)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(NOO)(H){1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5415	0.101	2	109.5415	0.010	2	109.7396	2.071	14	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(NOO)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(NOO)(H){4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5365	0.018	2	109.5365	0.000	2	109.7396	2.071	14	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(N[6]S[6]H)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(N[6]S[6]H)(H){2|C<3>,2|C<4>,2|O<1>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.0290	0.221	4	108.0290	0.049	4	108.0290	0.049	4	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Si-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SiH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(SiCC)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SiH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(SiCC)(H){1|S<4>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8455	0.053	2	108.8455	0.003	2	108.8455	0.003	2	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]CH)(COO)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]CH)(COO)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7000	0.000	1	108.7000	0.000	1	109.2176	0.084	5	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(COO)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(COO)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3470	0.024	4	109.3470	0.001	4	109.2176	0.084	5	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a])(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a])(C[6]C[5,6]CH)(H)2{1|C<4>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(COO)(H){1|H<1>,1|O<1>,2|N<3>,4|C<3>}	H(C[6]C[6]2H)	108.3300	0.011	2	108.3300	0.000	2	108.5614	0.054	5	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CC[6a]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]CH)(H)2{1|C<4>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CC[6a]O)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.6360	0.006	2	108.6360	0.000	2	108.5614	0.054	5	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]CH)(H)2{1|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H){1|N<3>,2|O<1>,4|C<3>}	H(C[6]C[6]2H)	108.8750	0.000	1	108.8750	0.000	1	108.5614	0.054	5	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CC[6a]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(H)2{1|N<3>,1|S<2>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CC[6a]O)(H){3|C<3>}	H(C[6]C[6]2H)	109.3555	0.046	2	109.3555	0.002	2	109.3376	0.780	44	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CN[5]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CN[5]O)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.3460	0.006	2	109.3460	0.000	2	109.3376	0.780	44	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	108.3095	0.274	2	108.3095	0.075	2	109.3376	0.780	44	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]N)(C[6]C[6]CH)(H)2	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]N)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]HH)(COO)(H){1|C<4>,1|N<3>,3|C<3>}	H(C[6]C[6]2H)	109.2675	0.022	2	109.2675	0.000	2	109.3376	0.780	44	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCC)(H){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	111.1935	1.602	4	111.1935	2.567	4	109.3376	0.780	44	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CCC)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	108.9015	0.005	4	108.9015	0.000	4	109.3376	0.780	44	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)(H){1|O<1>,2|C<3>}	H(C[6]C[6]2H)	108.4040	0.010	2	108.4040	0.000	2	109.3376	0.780	44	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2{4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9125	0.042	2	108.9125	0.002	2	109.3376	0.780	44	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]N)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]N)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2H)	109.1873	0.466	4	109.1873	0.218	4	109.3376	0.780	44	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCC)(H){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.6540	0.433	8	109.6540	0.187	8	109.3376	0.780	44	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.7015	0.554	2	109.5122	0.151	4	109.3376	0.780	44	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.3230	0.048	2	109.5122	0.151	4	109.3376	0.780	44	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO)(H){1|O<1>,2|C<3>}	H(C[6]C[6]2H)	108.8980	0.038	2	108.8980	0.001	2	109.3376	0.780	44	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CC[6a]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CC[6a]O)(H){1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.2280	0.008	2	109.2280	0.000	2	109.3376	0.780	44	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.0875	0.039	2	108.0875	0.002	2	109.3376	0.780	44	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.4130	0.068	2	109.4130	0.005	2	109.3376	0.780	44	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HN)(H)2	C[6](C[6]N[5,6]C[5a]H)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HN)(H)2{1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]N[5,6]C[5a]H)(C[6]C[6]HH)(NOO)(H){1|C<4>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	109.3050	0.024	2	109.3050	0.001	2	109.2120	0.026	3	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HN)(H)2	C[6](C[6]N[6,6]C[5a]H)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HN)(H)2{1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]N[6,6]C[5a]H)(C[6]C[6]HH)(NOO)(H){1|C<4>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	109.0260	0.000	1	109.0260	0.000	1	109.2120	0.026	3	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCO)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCO)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	108.8200	0.000	1	108.8200	0.000	1	108.8200	0.000	1	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CC[6a]O)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2{1|S<2>,2|H<1>,3|C<3>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CC[6a]O)(H){3|C<3>}	H(C[6]N[5,6]C[6]H)	110.0895	0.011	2	110.0895	0.000	2	110.0895	0.000	2	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(NCH)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(NCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]N[5,6]C[6]H)	109.9233	0.317	3	109.9233	0.101	3	109.9140	0.052	5	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(NCH)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(NCH)(H){1|C<3>,2|C<4>}	H(C[6]N[5,6]C[6]H)	109.9000	0.066	2	109.9000	0.004	2	109.9140	0.052	5	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]S[6])(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6,6]HH)(COO)(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]S[6])(C[6]C[5,6]CH)(H)2{1|O<2>,2|O<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6,6]HH)(COO)(H){1|H<1>,1|N<3>,1|O<1>,1|S<4>,3|C<3>}	H(C[6]N[6,6]C[6]H)	109.7627	0.165	4	109.7627	0.027	4	109.7627	0.027	4	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CHO)(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CHO)(H){2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	109.9295	0.021	2	109.9295	0.000	2	109.9295	0.000	2	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]N[6,6]HH)(NOO)(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6,6]HH)(NOO)(H){1|H<1>,4|C<3>}	H(C[6]N[6,6]C[6]H)	109.1010	0.000	1	109.1010	0.000	1	109.7470	0.313	3	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]CO)(NOO)(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]N[6,6]HH)(C[6]C[6]CO)(NOO)(H){2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	110.0700	0.016	2	110.0700	0.000	2	109.7470	0.313	3	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CCH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CCH)(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.4925	0.013	2	109.4925	0.000	2	109.2067	0.138	8	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(COO)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(COO)(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.5300	0.000	1	109.5300	0.000	1	109.2067	0.138	8	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(CCC)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(CCC)(H){1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	108.7597	0.014	3	108.7597	0.000	3	109.2067	0.138	8	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HO)(C[6]N[6]HH)(CC[6a]C)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]N[6]HH)(CC[6a]C)(H){1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.4300	0.028	2	109.4300	0.001	2	109.2067	0.138	8	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]HN)(H)2	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(NCH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]HN)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(NCH)(H){1|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.7200	0.007	2	109.7200	0.000	2	109.5678	0.037	17	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6a]C[6a]2)(C[6]N[6]HH)(NC[6a]H)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HN)(H)2{4|C<3>}	C[6](C[6]C[6,6a]C[6a]2)(C[6]N[6]HH)(NC[6a]H)(H){1|H<1>,6|C<3>}	H(C[6]C[6]N[6]H)	109.6490	0.017	2	109.6490	0.000	2	109.5678	0.037	17	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(NHS)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HN)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(NHS)(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.9690	0.007	2	109.9690	0.000	2	109.5678	0.037	17	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NC[6a]H)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NC[6a]H)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4680	0.051	2	109.4680	0.003	2	109.5678	0.037	17	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NHH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NHH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4490	0.091	9	109.4490	0.008	9	109.5678	0.037	17	109.3368	0.819	228	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:2:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:C-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(CCO)(CC)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(CCO)(CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4243	0.201	3	109.4243	0.040	3	109.5064	0.592	5	109.1541	0.472	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:2:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:C-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(COO)(CN)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(COO)(CN){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.6295	1.496	2	109.6295	2.237	2	109.5064	0.592	5	109.1541	0.472	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:2:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCC)(OH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCC)(OH){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.7780	0.000	1	108.7780	0.000	1	108.7138	0.004	4	109.1541	0.472	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:2:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCO)(OH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCO)(OH){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.6923	0.051	3	108.6923	0.003	3	108.7138	0.004	4	109.1541	0.472	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO)2{1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.7525	0.021	2	109.3340	3.592	4	109.3340	3.592	4	109.3239	0.627	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO)2{1|H<1>,2|C<3>}	H(C[6]C[5,6]C[6]H)	108.9155	3.174	2	109.3340	3.592	4	109.3340	3.592	4	109.3239	0.627	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:3:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(COO)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(COO)2{1|O<2>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	110.5040	0.045	2	110.5040	0.002	2	110.0304	0.119	14	109.3239	0.627	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:3:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]HH)(COO)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]CC)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]HH)(COO)2{3|C<3>}	H(C[6]C[5a,6]C[6]H)	109.7890	0.149	6	109.7890	0.022	6	110.0304	0.119	14	109.3239	0.627	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:3:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[5a,6]C[6]H)	109.6910	0.054	2	109.6910	0.003	2	110.0304	0.119	14	109.3239	0.627	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:3:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)2{1|O<2>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	110.3255	0.139	4	110.3255	0.019	4	110.0304	0.119	14	109.3239	0.627	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[6])(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(COO)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6,6]C[6])(C[6]C[6]CC)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(COO)2{1|O<2>,2|C<3>}	H(C[6]C[6,6]C[6]H)	108.8240	0.035	2	108.8240	0.001	2	107.9115	1.211	6	109.3239	0.627	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(COO)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(COO)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.0280	1.271	2	107.4553	1.186	4	107.9115	1.211	6	109.3239	0.627	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(COO)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|O<2>,2|C<3>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(COO)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	106.8825	0.793	2	107.4553	1.186	4	107.9115	1.211	6	109.3239	0.627	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:3:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(COO)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(COO)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0553	0.050	4	109.0553	0.003	4	109.0553	0.003	4	109.3239	0.627	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:3:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]HH)(COO)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CC)(H)2{1|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]HH)(COO)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3090	0.037	2	109.3222	0.015	5	109.3350	0.202	31	109.3239	0.627	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:3:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]HH)(COO)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CC)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]HH)(COO)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3310	0.170	3	109.3222	0.015	5	109.3350	0.202	31	109.3239	0.627	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:3:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]HH)2(CNO)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CC)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)2(CNO)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4395	0.289	4	109.4395	0.083	4	109.3350	0.202	31	109.3239	0.627	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:3:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(COO)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(COO)2{4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9605	0.032	2	108.9605	0.001	2	109.3350	0.202	31	109.3239	0.627	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:3:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(COO)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(COO)2{1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2292	0.501	4	109.2292	0.251	4	109.3350	0.202	31	109.3239	0.627	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:3:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO)2{1|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9290	0.021	2	108.9538	0.033	5	109.3350	0.202	31	109.3239	0.627	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:3:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO)2{1|C<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8260	0.055	2	108.9538	0.033	5	109.3350	0.202	31	109.3239	0.627	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:3:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO)2{1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2590	0.000	1	108.9538	0.033	5	109.3350	0.202	31	109.3239	0.627	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:3:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(COO)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(COO)2{1|S<4>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9765	0.036	2	108.9765	0.001	2	109.3350	0.202	31	109.3239	0.627	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:3:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]HH)(COO)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]HH)(COO)2{1|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6320	0.018	2	109.6320	0.000	2	109.3350	0.202	31	109.3239	0.627	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:3:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(COO)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(COO)2{1|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.7417	0.601	7	109.7417	0.361	7	109.3350	0.202	31	109.3239	0.627	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:3:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(COO)(NOO)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(COO)(NOO){1|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6425	0.029	2	109.6425	0.001	2	109.6425	0.001	2	109.3239	0.627	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	108.8235	0.032	2	108.8235	0.001	2	109.2479	0.288	18	109.3239	0.627	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	110.1930	1.403	2	110.1930	1.968	2	109.2479	0.288	18	109.3239	0.627	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[5,6]P)(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]P)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO)2{1|C<3>,1|C<4>,1|H<1>,1|P<4>}	H(C[6]C[6]2H)	109.0465	0.011	2	109.0465	0.000	2	109.2479	0.288	18	109.3239	0.627	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[5a,6]C)(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)2{1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.2725	0.200	4	109.2725	0.040	4	109.2479	0.288	18	109.3239	0.627	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)2{1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.4635	0.011	2	109.2690	0.051	4	109.2479	0.288	18	109.3239	0.627	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.0745	0.029	2	109.2690	0.051	4	109.2479	0.288	18	109.3239	0.627	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO)2{1|C<2>,2|C<3>}	H(C[6]C[6]2H)	109.2975	0.018	2	109.2975	0.000	2	109.2479	0.288	18	109.3239	0.627	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	108.7880	0.027	2	108.7880	0.001	2	109.2479	0.288	18	109.3239	0.627	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CC[3]O)(CH3)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CC[3]O)(CH3){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8630	0.000	1	108.8630	0.000	1	108.8630	0.000	1	109.3185	0.682	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:O-1:	C[6]-4:P[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]P[6]C)(H)(O)	C[6](C[6]C[6,6a]HO)(P[6]O[6]2O)(C[6]O[6]C)(CH3)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]P[6]C)(H)(O){1|H<1>,1|O<1>,3|C<3>,3|O<2>}	C[6](C[6]C[6,6a]HO)(P[6]O[6]2O)(C[6]O[6]C)(CH3){2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]O)	110.5560	0.000	1	110.5560	0.000	1	110.5560	0.000	1	109.3185	0.682	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:3:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-4:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]C[6a]O)(C[6]C[6]HH)(CC[6a]O)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C)(C[6]C[6]CC)(H)2{1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]O)(C[6]C[6]HH)(CC[6a]O)(CH3){5|C<3>}	H(C[6]C[6]2H)	108.9275	0.013	2	108.9275	0.000	2	108.9275	0.000	2	109.3185	0.682	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(CCCH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(CCCH)(H){1|H<1>,1|N<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.9955	0.042	2	109.9955	0.002	2	109.6084	0.103	43	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)2(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)2(CH3)(H){1|H<1>,1|N<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	110.4052	0.075	4	110.4052	0.006	4	109.6084	0.103	43	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]CC)(CCHH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]O[6]CC)(CCHH)(H){1|C<3>,1|C<4>}	H(C[6]C[5,6]C[6]H)	109.5627	0.147	4	109.5627	0.022	4	109.6084	0.103	43	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[5,6]C[6]H)	109.4350	0.025	2	109.4350	0.001	2	109.6084	0.103	43	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CCHO)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CCHO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2740	0.033	2	109.2740	0.001	2	109.6084	0.103	43	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.5525	0.182	6	109.5389	0.024	8	109.6084	0.103	43	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.4980	0.014	2	109.5389	0.024	8	109.6084	0.103	43	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(H)2	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<4>}	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HH)(CH3)(H){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.2744	0.053	7	109.2744	0.003	7	109.6084	0.103	43	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(H)2{1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	109.6390	0.014	2	109.6390	0.000	2	109.6084	0.103	43	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	109.5275	0.046	4	109.5275	0.002	4	109.6084	0.103	43	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.6576	0.079	8	109.6576	0.006	8	109.6084	0.103	43	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HN)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCHH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCHH)(H){2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1760	0.027	2	109.1760	0.001	2	109.1760	0.001	2	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]HH)(CCHH)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]HH)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	H(C[6]C[5a,6]C[6]H)	109.5815	0.008	2	109.5815	0.000	2	110.0262	0.217	6	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(CHHO)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(CHHO)(H){1|C<4>,1|O<1>,2|C<3>,2|N<3>}	H(C[6]C[5a,6]C[6]H)	110.2350	0.023	2	110.2350	0.001	2	110.0262	0.217	6	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5a,6]HH)(CCHH)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5a,6]HH)(CCHH)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	110.2620	0.700	2	110.2620	0.490	2	110.0262	0.217	6	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]CH)(H)2	C[6](C[6]C[5a,6]HH)(C[6,6]C[6]3)(CH3)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]CH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6,6]C[6]3)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,2|N<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.4803	0.027	3	109.4803	0.001	3	109.4803	0.001	3	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]ClC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(Cl)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]ClC)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(Cl){2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.0885	0.021	2	109.0885	0.000	2	109.0885	0.000	2	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]CH)(CH3)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]CH)(CH3)(H){2|C<3>,2|O<2>}	H(C[6]C[5a,6]C[6]H)	109.8680	0.000	1	109.8680	0.000	1	109.4383	0.103	21	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]ClC)(CCHH)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(H)2{1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]ClC)(CCHH)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.3805	0.094	2	109.3805	0.009	2	109.4383	0.103	21	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.8310	0.017	2	109.8310	0.000	2	109.4383	0.103	21	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HN)(CH3)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HN)(CH3)(H){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	109.5420	0.054	2	109.5420	0.003	2	109.4383	0.103	21	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[5a,6]C[6]H)	109.6280	0.000	1	109.6280	0.000	1	109.4383	0.103	21	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	109.4840	0.000	1	109.4840	0.000	1	109.4383	0.103	21	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CHHN)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CHHN)(H){2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6880	0.103	4	109.6880	0.011	4	109.4383	0.103	21	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CHHN)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CHHN)(H){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	109.4510	0.006	2	109.4510	0.000	2	109.4383	0.103	21	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CHHO)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CHHO)(H){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	109.1740	0.049	2	109.1740	0.002	2	109.4383	0.103	21	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[5a,6]C[6]H)	108.9290	0.082	4	108.9290	0.007	4	109.4383	0.103	21	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(NCHH)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(NCHH)(H){2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.9767	0.415	7	109.9767	0.172	7	109.9767	0.172	7	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[4x6]C[6])(C[6]C[4x6]CH)(H)2	C[6](C[4x6]C[3x6]C[4x6]C[6])(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4x6]C[6])(C[6]C[4x6]CH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[4x6]C[3x6]C[4x6]C[6])(C[6]C[6,6]HH)(CH3)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.3130	0.006	2	109.0648	0.084	4	109.0648	0.084	4	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[4x6]C[6])(C[6]C[4x6]CH)(H)2	C[6](C[4x6]C[3x6]C[4x6]C[6])(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4x6]C[6])(C[6]C[4x6]CH)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6](C[4x6]C[3x6]C[4x6]C[6])(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]H)	108.8165	0.077	2	109.0648	0.084	4	109.0648	0.084	4	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CCCH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CCCH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.4340	0.007	2	109.4340	0.000	2	109.9531	0.169	7	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CCHH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6]C[6]H)	110.1608	0.255	5	110.1608	0.065	5	109.9531	0.169	7	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(CCHH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(CCHH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.7510	2.015	2	109.7510	4.061	2	109.3105	1.613	4	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8700	0.023	2	108.8700	0.001	2	109.3105	1.613	4	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]BH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(BO3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]BH)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(BO3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.7865	0.103	6	108.7865	0.011	6	108.7865	0.011	6	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]CH)(H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6,6]C[6]H)	108.9728	0.199	4	108.9728	0.040	4	109.2248	0.697	33	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.3640	0.161	4	108.4853	0.060	8	109.2248	0.697	33	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.6065	0.275	4	108.4853	0.060	8	109.2248	0.697	33	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.2165	0.012	2	109.1517	0.006	4	109.2248	0.697	33	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0870	0.018	2	109.1517	0.006	4	109.2248	0.697	33	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6,6]C[6]H)	111.8305	1.524	2	110.1987	2.080	6	109.2248	0.697	33	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3828	0.173	4	110.1987	2.080	6	109.2248	0.697	33	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(CCHH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,2|O<2>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	H(C[6]C[6,6]C[6]H)	109.4907	0.163	6	109.3091	0.072	10	109.2248	0.697	33	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(CCHH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	H(C[6]C[6,6]C[6]H)	108.9730	0.006	2	109.3091	0.072	10	109.2248	0.697	33	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(CCHH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	H(C[6]C[6,6]C[6]H)	109.1005	0.025	2	109.3091	0.072	10	109.2248	0.697	33	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(CH3)(H){2|C<3>}	H(C[6]C[6,6]C[6]H)	109.7550	0.000	1	109.7550	0.000	1	109.2248	0.697	33	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.7643	0.087	3	109.7643	0.008	3	109.7643	0.008	3	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N[5]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(N[5]C[5]2C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N[5]H)(H)2{3|H<1>,7|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(N[5]C[5]2C)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4140	0.000	1	109.4140	0.000	1	109.4140	0.000	1	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HS)(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6]HH)(SC[6a]OO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HS)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6]HH)(SC[6a]OO)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.9025	0.025	2	108.9025	0.001	2	108.9025	0.001	2	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(F)(H)	C[6](C[6]C[6,6a]FH)(C[6]C[6]HH)(SC[6a]OO)(H)	H(C[6]C[6,6a]C[6]F)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(F)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]FH)(C[6]C[6]HH)(SC[6a]OO)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]F)	108.0280	0.000	1	108.0280	0.000	1	108.0280	0.000	1	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(H)2	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]HH)(CC[6a]HH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]HH)(CC[6a]HH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5320	0.024	2	109.5320	0.001	2	109.5320	0.001	2	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CH)(H)2	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]HH)(CHHO)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]HH)(CHHO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3750	0.000	1	109.6857	0.073	3	109.6857	0.073	3	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CH)(H)2	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]HH)(CHHO)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]HH)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.8410	0.040	2	109.6857	0.073	3	109.6857	0.073	3	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(CH3)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[5,6]CH)(H)2{1|C<4>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>,2|O<2>}	H(C[6]C[6,6a]C[6]H)	110.3570	0.549	2	110.3570	0.301	2	110.3570	0.301	2	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(CCHH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(CCHH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	108.7540	0.474	2	108.7540	0.224	2	109.1198	0.056	21	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]HH)(CH3)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]HH)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2487	0.126	3	109.1583	0.034	19	109.1198	0.056	21	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]HH)(CH3)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2{1|C<4>,2|C<3>,3|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]HH)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4123	0.080	4	109.1583	0.034	19	109.1198	0.056	21	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]HH)(CH3)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2{1|C<4>,2|C<3>,3|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]HH)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0510	0.109	12	109.1583	0.034	19	109.1198	0.056	21	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]HN)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(NH3)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]HN)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(NH3)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4210	0.011	2	109.4210	0.000	2	109.4210	0.000	2	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(CH3)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(CH3)(H){2|C<3>,2|O<2>}	H(C[6]C[6,6a]C[6]H)	108.5895	0.005	2	108.5895	0.000	2	109.2960	1.608	50	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6,6a]CH)(CCHH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[6,6a]HH)(C[6]N[6,6a]CH)(CCHH)(H){3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.5470	0.000	1	108.5470	0.000	1	109.2960	1.608	50	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CCHH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9385	0.035	4	108.9385	0.001	4	109.2960	1.608	50	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(CH3)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.3110	0.000	1	108.3110	0.000	1	109.2960	1.608	50	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC3)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC3)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.2245	0.013	2	108.2245	0.000	2	109.2960	1.608	50	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.7368	2.395	5	109.2654	2.137	13	109.2960	1.608	50	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9707	0.357	8	109.2654	2.137	13	109.2960	1.608	50	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CHHN)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CHHN)(H){2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	108.4340	0.568	4	108.4340	0.323	4	109.2960	1.608	50	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(CCCO)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(CCCO)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	110.9355	2.577	2	110.9355	6.643	2	109.2960	1.608	50	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]MoH)(CC3)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|Mo<7>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]MoH)(CC3)(H){1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.3495	0.025	2	108.3495	0.001	2	109.2960	1.608	50	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CCCH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CCCH)(H){3|C<3>}	H(C[6]C[6,6a]C[6]H)	114.5540	0.000	1	114.5540	0.000	1	109.2960	1.608	50	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CCCH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CCCH)(H){2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6975	0.011	2	109.6975	0.000	2	109.2960	1.608	50	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CCHH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5030	0.007	2	109.5030	0.000	2	109.2960	1.608	50	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CC[5]CH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CC[5]CH)(H){2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2020	0.000	1	109.2020	0.000	1	109.2960	1.608	50	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]CO)(CCHH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|O<2>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CO)(CCHH)(H){2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8240	0.000	1	109.8240	0.000	1	109.2960	1.608	50	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]HO)(CCHH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|O<2>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]HO)(CCHH)(H){2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6970	0.124	4	109.6970	0.015	4	109.2960	1.608	50	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(CC[6a]HH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(CC[6a]HH)(H){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0835	0.037	2	109.0835	0.001	2	109.2960	1.608	50	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(CCCO)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(CCCO)(H){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0110	0.030	2	109.0110	0.001	2	109.2960	1.608	50	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(CCCH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(CCCH)(H){4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8115	0.032	2	109.8115	0.001	2	109.2960	1.608	50	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]N[6a,6a]C[6,6a])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]N[6a,6a]C[6,6a])(C[6]C[6]CH)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6,6a]C[6]H)	109.6120	0.013	2	109.6120	0.000	2	109.2960	1.608	50	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(NH3)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(NH3)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	107.4980	2.680	2	107.4980	7.182	2	108.2678	1.797	6	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6a]HH)(C[6]S[6]HH)(NH3)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|S<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]S[6]HH)(NH3)(H){2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.6527	0.088	4	108.6527	0.008	4	108.2678	1.797	6	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SiH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(SiCCH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SiH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(SiCCH)(H){1|S<4>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1797	0.050	4	109.1797	0.003	4	109.1797	0.003	4	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]CC)(CHHO)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]CC)(CHHO)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7220	0.010	2	108.7220	0.000	2	108.7747	0.018	6	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8010	0.164	4	108.8010	0.027	4	108.7747	0.018	6	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]CH)(H)2{1|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CHHO)(H){1|N<3>,2|O<1>,4|C<3>}	H(C[6]C[6]2H)	108.7660	0.030	2	108.7660	0.001	2	108.7660	0.001	2	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]O)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.6540	1.209	12	109.6540	1.462	12	108.9109	0.696	108	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.4805	0.012	2	109.4805	0.000	2	108.9109	0.696	108	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.3245	0.015	2	108.3245	0.000	2	108.9109	0.696	108	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	108.4775	0.053	2	109.0809	0.844	20	108.9109	0.696	108	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.6285	3.385	2	109.0809	0.844	20	108.9109	0.696	108	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.5610	0.030	4	109.0809	0.844	20	108.9109	0.696	108	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.4805	0.008	2	109.0809	0.844	20	108.9109	0.696	108	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.4200	0.181	10	109.0809	0.844	20	108.9109	0.696	108	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H){1|C<4>,1|O<1>}	H(C[6]C[6]2H)	109.0738	0.104	4	109.0738	0.011	4	108.9109	0.696	108	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<3>}	H(C[6]C[6]2H)	108.4980	0.000	1	108.4980	0.000	1	108.9109	0.696	108	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<3>}	H(C[6]C[6]2H)	108.7210	0.040	2	108.7210	0.002	2	108.9109	0.696	108	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7565	2.239	2	108.7565	5.015	2	108.9109	0.696	108	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0310	0.008	2	109.0744	0.018	5	108.9109	0.696	108	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2{4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1033	0.182	3	109.0744	0.018	5	108.9109	0.696	108	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1210	0.047	2	109.1210	0.002	2	108.9109	0.696	108	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2700	0.000	1	109.2700	0.000	1	108.9109	0.696	108	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]N)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]N)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H){1|H<1>,1|N<2>,2|C<4>}	H(C[6]C[6]2H)	109.1200	0.034	2	109.1200	0.001	2	108.9109	0.696	108	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.3330	0.017	2	109.3330	0.000	2	108.9109	0.696	108	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	109.1190	0.048	2	109.1190	0.002	2	108.9109	0.696	108	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	109.4638	0.989	4	109.4070	0.380	9	108.9109	0.696	108	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.3616	0.147	5	109.4070	0.380	9	108.9109	0.696	108	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.4215	0.022	2	109.4215	0.000	2	108.9109	0.696	108	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|O<2>}	H(C[6]C[6]2H)	108.6825	0.005	2	108.6825	0.000	2	108.9109	0.696	108	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.7820	0.000	1	108.6766	0.209	8	108.9109	0.696	108	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<3>}	H(C[6]C[6]2H)	108.6616	0.492	7	108.6766	0.209	8	108.9109	0.696	108	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CHHO)(H){1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.1000	0.000	1	109.1000	0.000	1	108.9109	0.696	108	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	108.5795	0.035	2	108.5795	0.001	2	108.9109	0.696	108	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	108.1315	0.707	10	108.1315	0.500	10	108.9109	0.696	108	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.5435	0.025	2	108.5435	0.001	2	108.9109	0.696	108	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(H){1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	107.5050	0.007	2	107.5050	0.000	2	108.9109	0.696	108	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.2572	0.111	4	108.2572	0.012	4	108.9109	0.696	108	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[5a,6]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]O)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.0905	0.067	4	108.0905	0.004	4	108.9109	0.696	108	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]CH)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.7835	0.012	2	108.7835	0.000	2	108.9109	0.696	108	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.6180	0.000	1	108.6180	0.000	1	108.9109	0.696	108	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]2H)(H)2	C[6](C[6]C[6a]S[6]2)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]2H)(H)2{1|C<3>,2|C<4>,2|H<1>,2|S<2>}	C[6](C[6]C[6a]S[6]2)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.0940	0.008	4	108.0940	0.000	4	108.0940	0.000	4	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]HS)(H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C)(C[6]C[6]HS)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H){5|C<3>}	H(C[6]C[6]2H)	109.0016	0.170	9	109.0016	0.029	9	109.0016	0.029	9	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]N[6]CH)(H)2	C[6](N[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[6]C[6]2H)	108.7935	0.005	2	108.7935	0.000	2	108.7935	0.000	2	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[4,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]CH)(H)2	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]N[4,6]C[6]H)	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]CH)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>}	H(C[6]N[4,6]C[6]H)	109.8795	0.015	2	109.8795	0.000	2	109.8795	0.000	2	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5,6]2C)(C[6]N[5,6]HH)(CCHH)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[5,6]CH)(H)2{2|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]N[5,6]HH)(CCHH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6]N[5,6]C[6]H)	108.7925	0.018	2	108.7925	0.000	2	108.7925	0.000	2	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHO)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|N<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHO)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	110.0830	0.000	1	110.0830	0.000	1	109.0997	0.926	35	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HH)(CCHH)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]N[5,6]C[6]H)	108.1340	0.030	2	108.0783	0.021	6	109.0997	0.926	35	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HH)(CCHH)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HH)(CCHH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6]N[5,6]C[6]H)	108.2030	0.024	2	108.0783	0.021	6	109.0997	0.926	35	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HH)(CCHH)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HH)(CCHH)(H){2|H<1>,5|C<4>}	H(C[6]N[5,6]C[6]H)	107.8980	0.035	2	108.0783	0.021	6	109.0997	0.926	35	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]N[5,6]HH)(CCHH)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]N[5,6]HH)(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]N[5,6]C[6]H)	109.3395	0.033	2	109.3395	0.001	2	109.0997	0.926	35	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(CH3)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.7030	0.048	2	109.7030	0.002	2	109.0997	0.926	35	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHH)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]N[5,6]C[6]H)	110.2815	0.490	2	110.0168	0.931	4	109.0997	0.926	35	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHH)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHH)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[6]N[5,6]C[6]H)	109.7520	1.508	2	110.0168	0.931	4	109.0997	0.926	35	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHO)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHO)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	108.9497	0.062	3	108.9497	0.004	3	109.0997	0.926	35	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.7401	0.535	8	109.1138	1.066	17	109.0997	0.926	35	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,1|S<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.8955	0.009	2	109.1138	1.066	17	109.0997	0.926	35	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[6]N[5,6]C[6]H)	108.1747	0.869	7	109.1138	1.066	17	109.0997	0.926	35	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]HH)(CH3)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]HH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]N[5,6]C[6]H)	109.5815	0.019	2	109.5815	0.000	2	109.5949	0.660	14	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]N[5,6]C[6]H)	109.2095	2.794	2	109.2095	7.805	2	109.5949	0.660	14	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]N[5,6]C[6]H)	109.8005	0.011	2	109.5560	0.080	4	109.5949	0.660	14	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]N[5,6]C[6]H)	109.3115	0.028	2	109.5560	0.080	4	109.5949	0.660	14	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]HH)(CCCH)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2{1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]HH)(CCCH)(H){4|C<3>}	H(C[6]N[5,6]C[6]H)	109.7570	0.061	2	109.8210	0.007	4	109.5949	0.660	14	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]HH)(CCCH)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]HH)(CCCH)(H){5|C<3>}	H(C[6]N[5,6]C[6]H)	109.8850	0.028	2	109.8210	0.007	4	109.5949	0.660	14	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HN)(CCHH)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]N[5,6]C[6]H)	109.6190	0.054	2	109.6190	0.003	2	109.5949	0.660	14	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HS)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]HH)(SC[6a]OO)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HS)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]HH)(SC[6a]OO)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[6]N[5,6]C[6]H)	110.0465	0.015	2	110.0465	0.000	2	110.0465	0.000	2	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(H)2{2|H<1>,4|C<3>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<3>}	H(C[6]N[5a,6]C[6]H)	109.4425	0.060	2	109.4425	0.004	2	109.4425	0.004	2	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2	C[6](C[6]N[6,6]HH)2(CCHH)(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2{1|N<4>,2|C<4>,5|H<1>}	C[6](C[6]N[6,6]HH)2(CCHH)(H){4|C<4>}	H(C[6]N[6,6]C[6]H)	109.6485	0.043	2	109.6485	0.002	2	109.1318	0.093	30	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]HH)(CH3)(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]N[6,6]C[6]H)	109.2504	0.485	5	109.2504	0.235	5	109.1318	0.093	30	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCHH)(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCHH)(H){2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	108.9777	0.034	3	109.0650	0.015	5	109.1318	0.093	30	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCHH)(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCHH)(H){2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	109.1960	0.007	2	109.0650	0.015	5	109.1318	0.093	30	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CCHH)(H){2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	108.8840	0.169	3	108.8840	0.028	3	109.1318	0.093	30	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	109.2340	0.007	2	109.0979	0.062	14	109.1318	0.093	30	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|N<4>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	109.5425	0.009	2	109.0979	0.062	14	109.1318	0.093	30	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	109.1115	0.006	4	109.0979	0.062	14	109.1318	0.093	30	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	108.8953	0.155	6	109.0979	0.062	14	109.1318	0.093	30	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(CC[6a]HH)(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(CC[6a]HH)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]N[6,6]C[6]H)	109.0580	0.000	1	109.0580	0.000	1	109.1318	0.093	30	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6]H)	108.9030	0.007	2	108.9030	0.000	2	109.7583	1.874	20	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[5,6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]H)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5135	0.032	2	109.5135	0.001	2	109.7583	1.874	20	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CHHO)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CHHO)(H){1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]N[6]H)	111.1445	2.467	4	111.1445	6.085	4	109.7583	1.874	20	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CCCH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CCCH)(H){3|C<3>}	H(C[6]C[6]N[6]H)	110.8505	0.733	2	110.8505	0.538	2	109.7583	1.874	20	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.6555	0.284	2	108.6555	0.080	2	109.7583	1.874	20	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.2505	0.077	4	109.3570	0.031	6	109.7583	1.874	20	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2{1|C<4>,2|N<2>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5700	0.034	2	109.3570	0.031	6	109.7583	1.874	20	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(CH3)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.3010	1.054	2	109.3010	1.110	2	109.7583	1.874	20	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NH3)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6710	0.035	2	109.6710	0.001	2	109.6710	0.001	2	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]SiH)(H)2	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(SiCCH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]C[6]SiH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(SiCCH)(H){1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	108.7970	0.024	2	108.7970	0.001	2	109.1695	0.087	6	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]SiH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(SiCCH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]C[6]SiH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(SiCCH)(H){1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.3558	0.074	4	109.3558	0.005	4	109.1695	0.087	6	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3578	0.446	4	109.8494	3.782	22	109.8494	3.782	22	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.9587	2.137	18	109.8494	3.782	22	109.8494	3.782	22	109.2532	0.856	503	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)(OH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)(OH){3|C<3>}	H(C[6]C[5,6]C[6]H)	109.7640	0.000	1	109.7640	0.000	1	110.2844	0.672	5	109.1978	0.571	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)(OH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CO)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)(OH){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5,6]C[6]H)	109.8185	0.032	2	109.8185	0.001	2	110.2844	0.672	5	109.1978	0.571	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CO)(H)2{3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	111.0105	0.962	2	111.0105	0.926	2	110.2844	0.672	5	109.1978	0.571	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CO)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CO)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH){1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	109.6063	0.104	6	109.7102	0.020	12	109.4507	0.538	14	109.1978	0.571	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CO)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH){1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	109.8490	0.013	2	109.7102	0.020	12	109.4507	0.538	14	109.1978	0.571	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CO)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CO)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	109.7968	0.109	4	109.7102	0.020	12	109.4507	0.538	14	109.1978	0.571	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CO)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(OC)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CO)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(OC){2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	107.8935	1.054	2	107.8935	1.112	2	109.4507	0.538	14	109.1978	0.571	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:2:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C-4:O[6]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]O[6]C)(H)2	C[6](C[3x6]C[6,6]3)(C[6]C[6,6a]HH)(CC[6a]HH)(O[6]C[6])	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]O[6]C)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6](C[3x6]C[6,6]3)(C[6]C[6,6a]HH)(CC[6a]HH)(O[6]C[6]){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0310	0.010	2	109.0310	0.000	2	109.0310	0.000	2	109.1978	0.571	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:2:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CO)(H)2	C[6](C[6,6]C[6,6]C[6]S)(C[6]C[6,6a]HH)(CH3)(OH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CO)(H)2{1|C<4>,1|O<2>,1|S<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]S)(C[6]C[6,6a]HH)(CH3)(OH){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.7175	0.047	2	108.7175	0.002	2	108.7175	0.002	2	109.1978	0.571	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:2:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(CH3)(OH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]CO)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(CH3)(OH){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3335	0.019	2	109.3335	0.000	2	108.8821	0.288	11	109.1978	0.571	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:2:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3)(OH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2{1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3)(OH){1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8710	0.597	7	108.8710	0.356	7	108.8821	0.288	11	109.1978	0.571	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:2:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCHH)(OC)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCHH)(OC){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.4695	0.006	2	108.4695	0.000	2	108.8821	0.288	11	109.1978	0.571	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:2:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CO)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)(OH){3|C<3>}	H(C[6]C[6]2H)	108.8405	0.025	2	108.8405	0.001	2	108.9548	0.120	5	109.1978	0.571	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:2:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5a]C[6])(C[6]C[6]CO)(H)2	C[6](C[6]C[6]HH)2(CF3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6])(C[6]C[6]CO)(H)2{1|S<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(CF3)(OH){1|O<1>,2|C<3>}	H(C[6]C[6]2H)	108.7620	0.004	2	108.7620	0.000	2	108.9548	0.120	5	109.1978	0.571	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:2:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.5690	0.000	1	109.5690	0.000	1	108.9548	0.120	5	109.1978	0.571	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:2:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:N-2:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CN)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(CCCH)(NN)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CN)(H)2{4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(CCCH)(NN){3|H<1>,4|C<4>}	H(C[6]N[5,6]C[6]H)	108.3895	0.011	2	108.3895	0.000	2	108.3895	0.000	2	109.1978	0.571	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:2:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CO)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CO)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	108.5110	0.008	2	108.5110	0.000	2	108.5110	0.000	2	109.1978	0.571	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:3:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:S-4:C-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]CS)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(SC[6a]OO)(COO)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]CS)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(SC[6a]OO)(COO){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	110.0230	0.000	1	110.0230	0.000	1	110.0230	0.000	1	109.0791	0.259	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4650	0.334	2	108.4650	0.111	2	108.9490	0.266	8	109.0791	0.259	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2855	0.502	4	109.2855	0.252	4	108.9490	0.266	8	109.0791	0.259	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(CCH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(CCH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	108.7600	0.008	2	108.7600	0.000	2	108.9490	0.266	8	109.0791	0.259	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:3:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6](C[6]C[5a]C[6]O)(C[6]C[6,6a]HH)(CC[6a]HH)(COO)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[5a]C[6]O)(C[6]C[6,6a]HH)(CC[6a]HH)(COO){1|O<1>,1|S<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8975	0.009	2	108.8975	0.000	2	108.8364	0.060	12	109.0791	0.259	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:3:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3)(CCH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3)(CCH){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2080	0.122	2	109.2080	0.015	2	108.8364	0.060	12	109.0791	0.259	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:3:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CC[6a]HH)(CC[6a]O)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CC[6a]HH)(CC[6a]O){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.7980	0.155	3	108.7980	0.024	3	108.8364	0.060	12	109.0791	0.259	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:3:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CH3)(CCO)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CH3)(CCO){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.5410	0.016	2	108.5410	0.000	2	108.8364	0.060	12	109.0791	0.259	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:3:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CC[6a]HH)(COO)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CC[6a]HH)(COO){1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9035	0.207	2	108.9035	0.043	2	108.8364	0.060	12	109.0791	0.259	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:3:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]HH)(CH3)(CCO)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]HH)(CH3)(CCO){1|O<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.5430	0.000	1	108.5430	0.000	1	108.8364	0.060	12	109.0791	0.259	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CHO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CHO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7765	1.264	2	108.7765	1.597	2	109.1668	0.290	9	109.0791	0.259	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]CC)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1250	0.088	4	109.1250	0.008	4	109.1668	0.290	9	109.0791	0.259	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(CCO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(CCO){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.6020	0.042	2	109.6020	0.002	2	109.1668	0.290	9	109.0791	0.259	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(CH3)(CCO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C)(C[6]C[6]CC)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(CH3)(CCO){3|C<3>}	H(C[6]C[6]2H)	109.2440	0.000	1	109.2440	0.000	1	109.1668	0.290	9	109.0791	0.259	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CC[6a]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CC[6a]HH)(COO){1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.8193	0.046	3	109.8193	0.002	3	109.8193	0.002	3	109.0791	0.259	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(CH3)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(CH3){2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2015	0.060	2	109.2015	0.004	2	109.6168	0.413	61	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>}	H(C[6]C[5,6]C[6]H)	109.2220	0.000	1	109.2220	0.000	1	109.6168	0.413	61	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[5,6]C[6]H)	109.6030	0.000	1	109.3352	0.014	11	109.6168	0.413	61	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[5,6]C[6]H)	109.3084	0.079	10	109.3352	0.014	11	109.6168	0.413	61	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHN)(CH3)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHN)(CH3){1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.0810	3.422	2	110.0810	11.713	2	109.6168	0.413	61	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	109.7623	0.519	35	109.7708	0.258	37	109.6168	0.413	61	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	109.9195	0.293	2	109.7708	0.258	37	109.6168	0.413	61	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CC)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[5,6]HH)(CH3)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CC)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5]C[6]H)(C[6]C[5,6]HH)(CH3)2{2|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	108.9895	0.011	2	108.9895	0.000	2	109.6168	0.413	61	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5,6]N[5,6a]C[5,6])(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6a]C[5,6])(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[5,6]C[6]H)	109.4417	0.068	6	109.4417	0.005	6	109.6168	0.413	61	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]N[5a])(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]HH)(CH3)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6a]N[5a])(C[6]C[6]CC)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]HH)(CH3)2{1|C<3>,1|N<2>,1|N<3>}	H(C[6]C[5a,6]C[6]H)	109.7360	0.021	2	109.7360	0.000	2	109.8389	0.888	49	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[5a,6]C[6]H)	109.5840	0.018	2	109.7954	0.919	30	109.8389	0.888	49	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6140	0.882	2	109.7954	0.919	30	109.8389	0.888	49	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[5a,6]C[6]H)	109.8257	1.014	26	109.7954	0.919	30	109.8389	0.888	49	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CHHN)(CH3)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CHHN)(CH3){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6210	0.035	2	109.6210	0.001	2	109.8389	0.888	49	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[5a,6]C[6]H)	110.0367	1.601	4	109.8345	0.666	13	109.8389	0.888	49	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[5a,6]C[6]H)	109.7447	0.092	9	109.8345	0.666	13	109.8389	0.888	49	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2{1|C<4>,1|N<2>,1|N<3>,1|O<2>}	H(C[6]C[5a,6]C[6]H)	110.8390	2.404	2	110.8390	5.780	2	109.8389	0.888	49	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]CC)(H)2	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]HH)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]CC)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]HH)(CH3)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.5925	0.159	2	108.5925	0.025	2	108.5925	0.025	2	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]CC)(H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.1345	0.032	2	108.7095	0.071	8	108.9868	0.167	526	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]CC)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.5155	0.035	2	108.7095	0.071	8	108.9868	0.167	526	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.5940	0.034	4	108.7095	0.071	8	108.9868	0.167	526	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(CH3){2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.7200	0.110	6	108.6472	0.027	8	108.9868	0.167	526	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4290	0.006	2	108.6472	0.027	8	108.9868	0.167	526	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHO)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHO)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2135	0.023	2	109.2135	0.001	2	108.9868	0.167	526	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[5,6])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[5,6])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]H)	108.8080	0.075	6	108.8080	0.006	6	108.9868	0.167	526	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.2810	0.003	4	109.2810	0.000	4	108.9868	0.167	526	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]H)	108.8967	0.122	4	108.9172	0.138	251	108.9868	0.167	526	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]H)	108.8672	0.075	4	108.9172	0.138	251	108.9868	0.167	526	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]H)	108.9109	0.117	7	108.9172	0.138	251	108.9868	0.167	526	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<2>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.1355	0.005	2	108.9172	0.138	251	108.9868	0.167	526	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.0151	0.418	123	108.9172	0.138	251	108.9868	0.167	526	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]H)	108.8385	0.407	53	108.9172	0.138	251	108.9868	0.167	526	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|S<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]H)	108.7915	0.006	2	108.9172	0.138	251	108.9868	0.167	526	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]H)	108.7792	0.170	56	108.9172	0.138	251	108.9868	0.167	526	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	108.9398	0.209	41	109.0753	0.193	247	108.9868	0.167	526	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.1345	0.009	2	109.0753	0.193	247	108.9868	0.167	526	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<2>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.0135	0.011	2	109.0753	0.193	247	108.9868	0.167	526	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.1029	0.472	202	109.0753	0.193	247	108.9868	0.167	526	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6,6]CC)(H)2	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(CH3)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6,6]CC)(H)2{1|C<3>,2|N<2>,3|C<4>}	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(CH3)2{2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0350	0.035	2	109.0350	0.001	2	109.0350	0.001	2	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:S-4:S-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]SS)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]SS)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO)2{1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9430	0.062	2	108.9430	0.004	2	108.9430	0.004	2	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[5a,6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]HH)(CH3)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5a,6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]HH)(CH3)2{1|C<3>,1|N<2>,1|N<3>}	H(C[6]C[6,6a]C[6]H)	108.9420	0.000	1	108.9420	0.000	1	108.8218	0.163	103	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]HH)2(CH3)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]C[6]CC)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)2(CH3)2{1|C<3>,2|N<2>}	H(C[6]C[6,6a]C[6]H)	109.0470	0.099	16	109.0470	0.010	16	108.8218	0.163	103	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CH3)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CH3)2{1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	107.7475	0.180	4	107.7475	0.032	4	108.8218	0.163	103	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.3690	0.121	3	108.7924	0.102	11	108.8218	0.163	103	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0095	0.019	2	108.7924	0.102	11	108.8218	0.163	103	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9317	0.221	6	108.7924	0.102	11	108.8218	0.163	103	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CN[5]HH)(CH3)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CN[5]HH)(CH3){2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1435	0.019	2	109.1435	0.000	2	108.8218	0.163	103	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6,6a]C[6]H)	108.9425	0.013	2	108.7637	0.179	50	108.8218	0.163	103	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<2>,1|O<1>}	H(C[6]C[6,6a]C[6]H)	108.7563	0.431	48	108.7637	0.179	50	108.8218	0.163	103	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6,6a]C[6]H)	108.9492	0.080	6	108.9492	0.006	6	108.8218	0.163	103	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]CC)(H)2{1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6,6a]C[6]H)	109.0427	0.132	9	109.0019	0.022	11	108.8218	0.163	103	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]CC)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6,6a]C[6]H)	108.8185	0.005	2	109.0019	0.022	11	108.8218	0.163	103	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6a]N[6a,6a]C[6,6a])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]N[6a,6a]C[6,6a])(C[6]C[6]CC)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6,6a]C[6]H)	109.0280	0.010	2	109.0280	0.000	2	108.8218	0.163	103	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:Ga[4]-4:Ga[6]-4:Si-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]Ga[4]Ga[6]Si)(H)2	C[6](C[6]C[6,6a]HH)(Ga[4]Cl[4]2Cl)(Ga[6]Br[6]Cl2)(SiC3)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]Ga[4]Ga[6]Si)(H)2{1|Br<2>,2|Cl<2>,3|Cl<1>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]HH)(Ga[4]Cl[4]2Cl)(Ga[6]Br[6]Cl2)(SiC3){1|Ga<4>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.5030	0.028	2	108.5030	0.001	2	108.5030	0.001	2	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]P[6]CC)(H)2	C[6](P[6]C[6,6a]PtC)(C[6]C[6,6a]HH)(CH3)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]P[6]CC)(H)2{1|Pt<4>,1|C<4>,1|H<1>,3|C<3>}	C[6](P[6]C[6,6a]PtC)(C[6]C[6,6a]HH)(CH3)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	107.9710	0.008	2	107.9710	0.000	2	107.9710	0.000	2	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[3,6]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]O)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<4>,2|O<1>}	H(C[6]C[6]2H)	108.9250	0.039	4	108.9250	0.002	4	108.7809	0.342	755	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[4,6]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]O)(C[6]C[6]CC)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.1740	0.166	4	108.1740	0.028	4	108.7809	0.342	755	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[4]C[6])(C[6]C[6]CC)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[4]C[6])(C[6]C[6]CC)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	108.6750	0.000	1	108.6750	0.000	1	108.7809	0.342	755	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]C[6])(C[6]C[6]CC)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	108.3985	0.016	2	108.3985	0.000	2	108.7809	0.342	755	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.4802	0.833	4	109.4802	0.693	4	108.7809	0.342	755	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.4621	0.138	16	108.7693	0.560	59	108.7809	0.342	755	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.8300	0.910	35	108.7693	0.560	59	108.7809	0.342	755	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	108.9785	0.005	2	108.7693	0.560	59	108.7809	0.342	755	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.2860	0.440	2	108.7693	0.560	59	108.7809	0.342	755	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.1040	0.608	4	108.7693	0.560	59	108.7809	0.342	755	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<4>,2|O<1>}	H(C[6]C[6]2H)	109.1123	0.358	4	109.1784	0.075	18	108.7809	0.342	755	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<4>,2|O<1>}	H(C[6]C[6]2H)	109.3015	0.047	2	109.1784	0.075	18	108.7809	0.342	755	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<4>,2|O<1>}	H(C[6]C[6]2H)	109.1800	0.277	12	109.1784	0.075	18	108.7809	0.342	755	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.4875	1.308	4	109.1153	1.246	40	108.7809	0.342	755	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.3315	1.208	26	109.1153	1.246	40	108.7809	0.342	755	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.4046	0.131	10	109.1153	1.246	40	108.7809	0.342	755	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.1235	0.066	2	108.5242	0.139	5	108.7809	0.342	755	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{1|H<1>,1|N<4>,2|C<3>}	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.7913	0.086	3	108.5242	0.139	5	108.7809	0.342	755	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.3972	0.113	4	108.3972	0.013	4	108.7809	0.342	755	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|O<2>}	H(C[6]C[6]2H)	109.0260	0.000	1	109.0260	0.000	1	108.7809	0.342	755	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]C[6a])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	108.8985	0.042	2	108.8985	0.002	2	108.7809	0.342	755	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]N)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]N)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<2>,1|O<2>}	H(C[6]C[6]2H)	108.7060	0.000	1	108.7060	0.000	1	108.7809	0.342	755	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	108.5240	0.013	2	108.7484	0.240	505	108.7809	0.342	755	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<2>,1|O<1>}	H(C[6]C[6]2H)	108.5245	0.008	2	108.7484	0.240	505	108.7809	0.342	755	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.7741	0.463	254	108.7484	0.240	505	108.7809	0.342	755	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.7048	0.514	231	108.7484	0.240	505	108.7809	0.342	755	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,2|O<2>}	H(C[6]C[6]2H)	108.0265	0.013	2	108.7484	0.240	505	108.7809	0.342	755	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.8035	0.018	2	108.7484	0.240	505	108.7809	0.342	755	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.6250	0.024	2	108.7484	0.240	505	108.7809	0.342	755	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<4>,1|O<1>,2|O<2>}	H(C[6]C[6]2H)	109.4180	0.010	4	108.7484	0.240	505	108.7809	0.342	755	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.4515	0.108	4	108.7484	0.240	505	108.7809	0.342	755	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.0030	0.030	2	108.7484	0.240	505	108.7809	0.342	755	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<4>,2|O<1>}	H(C[6]C[6]2H)	109.3432	0.299	20	109.3432	0.089	20	108.7809	0.342	755	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]N)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]N)(C[6]C[6]CC)(H)2{1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(CH3)2{1|N<2>,2|C<3>}	H(C[6]C[6]2H)	108.5445	0.033	2	108.5445	0.001	2	108.7809	0.342	755	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<2>,1|O<1>}	H(C[6]C[6]2H)	108.8438	0.502	49	108.7168	0.232	77	108.7809	0.342	755	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.7066	0.302	14	108.7168	0.232	77	108.7809	0.342	755	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.3728	0.100	6	108.7168	0.232	77	108.7809	0.342	755	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	108.2145	0.342	8	108.7168	0.232	77	108.7809	0.342	755	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	107.2207	1.026	4	107.6272	1.028	6	108.7809	0.342	755	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]CC)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.4400	0.014	2	107.6272	1.028	6	108.7809	0.342	755	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:S-4:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]SS)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]SS)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9830	0.209	7	108.9830	0.044	7	108.9830	0.044	7	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	Si[6]-4:C[6]-4:Si-4:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]Si[6]SiC)(H)2	C[6](Si[6]C[6]SiO)(C[6]C[6]HH)(SiC3)(CC3)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]Si[6]SiC)(H)2{1|Si<4>,1|C<4>,1|O<2>,3|C<3>}	C[6](Si[6]C[6]SiO)(C[6]C[6]HH)(SiC3)(CC3){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	106.8320	0.054	2	106.8320	0.003	2	106.8320	0.003	2	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(CH3)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(CH3)2{1|C<4>,2|C<3>}	H(C[6]N[5,6]C[6]H)	109.9130	0.040	2	109.9130	0.002	2	109.0877	0.413	6	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](N[5,6]Ge[5,5,6]C[5,6a])(C[6]C[6]CC)(H)2	C[6](C[6]N[5,6]HH)2(CH3)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]Ge[5,5,6]C[5,6a])(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>,3|N<3>}	C[6](C[6]N[5,6]HH)2(CH3)2{1|Ge<4>,2|C<3>}	H(C[6]N[5,6]C[6]H)	108.6750	0.085	4	108.6750	0.007	4	109.0877	0.413	6	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]N[6,6]C[6]H)	109.2095	0.112	4	109.2095	0.013	4	109.2170	0.096	27	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CCHH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CCHH)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]N[6,6]C[6]H)	109.2720	0.017	2	109.3885	0.010	15	109.2170	0.096	27	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CCHH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CCHH)2{1|C<3>,1|C<4>}	H(C[6]N[6,6]C[6]H)	109.3660	0.000	1	109.3885	0.010	15	109.2170	0.096	27	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CCHH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CCHH)2{1|Mo<5>,1|C<3>,1|C<4>}	H(C[6]N[6,6]C[6]H)	109.4097	0.099	12	109.3885	0.010	15	109.2170	0.096	27	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](N[6,6]Ga[3x6]C[6])(C[6]C[6]CC)(H)2	C[6](C[6]N[6,6]HH)2(CH3)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]Ga[3x6]C[6])(C[6]C[6]CC)(H)2{1|Cl<1>,1|C<3>,1|N<3>,2|O<2>,3|H<1>}	C[6](C[6]N[6,6]HH)2(CH3)2{1|Ga<5>,2|C<3>}	H(C[6]N[6,6]C[6]H)	108.9002	0.564	4	108.9002	0.318	4	109.2170	0.096	27	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](N[6,6]In[3x6]P[6])(C[6]C[6]CC)(H)2	C[6](C[6]N[6,6]HH)2(CH3)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]In[3x6]P[6])(C[6]C[6]CC)(H)2{1|N<3>,2|H<1>,3|C<3>,3|O<2>}	C[6](C[6]N[6,6]HH)2(CH3)2{1|In<5>,2|P<4>}	H(C[6]N[6,6]C[6]H)	108.8983	0.191	4	108.8983	0.037	4	109.2170	0.096	27	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	N[6]-3:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(Cl)(H)	C[6](C[6]N[6]ClH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]N[6]Cl)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(Cl)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]N[6]ClH)(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>}	H(C[6]C[6]N[6]Cl)	107.5460	0.000	1	107.5460	0.000	1	107.5460	0.000	1	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]CC)(H)2	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(CH3)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]CC)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(CH3)2{1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	108.9610	0.025	2	108.9610	0.001	2	108.7874	0.132	22	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]CC)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CCHH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]CC)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CCHH)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	109.2440	0.023	2	109.2440	0.001	2	108.7874	0.132	22	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]Mo)(C[6]C[6]CC)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CCHH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Mo)(C[6]C[6]CC)(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CCHH)2{1|Mo<5>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	108.5504	0.177	14	108.5504	0.031	14	108.7874	0.132	22	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	4:4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(H)2	C[6](C[6]N[6]HH)(C[6]O[6]HH)(CH3)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]O[6]HH)(CH3)2{2|C<3>}	H(C[6]C[6]N[6]H)	109.3017	0.109	4	109.3017	0.012	4	108.7874	0.132	22	108.9235	0.346	1569	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:1:1:	5:4:1:1:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6]ZrHH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Zr<11>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]N[6]ZrHH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6,6]C[6]H)	109.8415	0.223	2	109.8415	0.050	2	109.8415	0.050	2	109.8415	0.050	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	2:4:1:1:	4:	C[6]-3:C[6]-4:N-2:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6a]O)(C[6]O[6]HH)(NC)(H)	C[6](O[6]B[6,6a])(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]N[6,6a]O)(C[6]O[6]HH)(NC)(H){1|B<3>,1|N<2>}	C[6](O[6]B[6,6a])(C[6]C[6]HN)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2N)	106.4250	0.000	1	106.4250	0.000	1	106.4250	0.000	1	108.1178	2.426	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	2:4:1:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(OH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(OH)(H){4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HO)(H)2{3|C<3>}	H(C[6]C[6]2O)	110.1710	0.000	1	110.1710	0.000	1	110.1710	0.000	1	108.1178	2.426	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	2:4:1:1:	4:	C[6]-3:C[6]-4:S-2:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(SC[6a])(H)	C[6](O[6]C[6,6a])(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(SC[6a])(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HS)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2S)	107.9375	0.361	2	107.9375	0.131	2	107.9375	0.131	2	108.1178	2.426	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	2:4:4:4:	4:	C[6]-3:C[6]-4:O-2:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]CC)(OC)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]O)(C[6]O[6]CC)(OC)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2{1|O<1>,2|C<3>}	H(C[6]C[6]2O)	109.1940	0.000	1	109.1940	0.000	1	109.1940	0.000	1	107.7000	1.793	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	2:4:4:4:	4:	C[6]-3:C[6]-4:S-2:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]CC)(SC[6a])(H)	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CH3)2	H(C[6]C[6]2S)	C[6](C[6]C[6,6a]O)(C[6]O[6]CC)(SC[6a])(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CH3)2{1|O<1>,2|C<3>}	H(C[6]C[6]2S)	106.6080	0.000	1	106.6080	0.000	1	106.6080	0.000	1	107.7000	1.793	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	2:4:4:4:	4:	N[6]-3:C[6]-4:C-2:H-1:	S[6]-2:C[6]-4:C-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]S[6]CC)(CN)(H)	C[6](S[6]C[6,6a])(C[6]N[6]CH)(CH3)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]H)(C[6]S[6]CC)(CN)(H){2|C<3>}	C[6](S[6]C[6,6a])(C[6]N[6]CH)(CH3)2{1|H<1>,2|C<3>}	H(C[6]C[6]N[6]C)	107.2980	0.000	1	107.2980	0.000	1	107.2980	0.000	1	107.7000	1.793	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	3:3:4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]N[6]H)(OH)(H)	C[6](N[6]C[5,6]C[6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]N[6]H)(OH)(H){1|O<2>,6|C<3>}	C[6](N[6]C[5,6]C[6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H){2|H<1>,7|C<3>}	H(C[6]C[6]2O)	107.6690	0.000	1	107.6690	0.000	1	107.6690	0.000	1	107.6690	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	3:4:1:1:	4:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]HH)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[5a]O[6]H)(H)2	H(C[6]C[5a]C[6]O[6])	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]HH)(O[6]C[6])(H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[5a]O[6]H)(H)2{1|C<4>,4|C<3>}	H(C[6]C[5a]C[6]O[6])	108.8110	0.000	1	108.8110	0.000	1	108.8110	0.000	1	109.6227	0.378	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(OH)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]HO)(H)2	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(OH)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]HO)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]O)	108.9690	0.000	1	108.9690	0.000	1	108.9690	0.000	1	109.6227	0.378	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	3:4:1:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HO)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2O)	109.9430	0.000	1	109.9430	0.000	1	109.9430	0.000	1	109.6227	0.378	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	3:4:1:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]N[6]HH)(OH)(H)	C[6](N[6]C[5,6]C)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]H)(C[6]N[6]HH)(OH)(H){1|C<4>,2|C<3>}	C[6](N[6]C[5,6]C)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.4140	0.000	1	110.4140	0.000	1	110.4140	0.000	1	109.6227	0.378	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:O-2:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(OC)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HO)(H)2	H(C[6]N[5,6]C[6]O)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(OC)(H){1|O<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HO)(H)2{1|O<1>,4|C<3>}	H(C[6]N[5,6]C[6]O)	109.7995	0.101	2	109.7995	0.010	2	109.7995	0.010	2	109.6227	0.378	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	3:4:2:1:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O[6]H)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O[6]H)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]O[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O[6]H)(O[6]C[6])(H){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O[6]H)(O[6]C[6])(H){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O[6])	103.2206	6.124	2	103.2206	37.506	2	103.2206	37.506	2	107.4000	10.269	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	3:4:2:1:	4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(NC[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(NC[6a])(H)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(NC[6a])(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(NC[6a])(H){1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]N)	109.2455	1.811	2	109.2455	3.279	2	109.2455	3.279	2	107.4000	10.269	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	3:4:2:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H){1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]O)	107.8615	1.773	2	107.8615	3.143	2	108.4898	1.667	4	107.4000	10.269	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	3:4:2:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H){1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]O)	109.1180	0.528	2	109.1180	0.278	2	108.4898	1.667	4	107.4000	10.269	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	3:4:2:1:	4:	C[6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(O[6]C[6])(H)	H(C[6]C[6,6a]C[6]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(O[6]C[6])(H){1|C<4>,1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(O[6]C[6])(H){1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6]O[6])	107.5545	0.309	2	107.5545	0.095	2	107.5545	0.095	2	107.4000	10.269	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	3:4:3:1:	4:	C[6,6a]-3:C[6]-4:N[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[6]N[6]S)(H)	H(C[6]C[6,6a]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[6]C[6])(H){1|C<4>,1|H<1>,1|N<2>,2|S<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[6]N[6]S)(H){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]N[6])	107.4270	0.000	1	107.4270	0.000	1	107.4270	0.000	1	108.1562	0.301	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	3:4:3:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(OH)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]HO)(C[6]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(OH)(H){2|H<1>,5|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]HO)(C[6]C[6]H)(H){1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]O)	107.7160	0.000	1	107.7160	0.000	1	107.7160	0.000	1	108.1562	0.301	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	3:4:3:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(CCH)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(OH)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(CCH)(H){1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]O)	108.6420	0.000	1	108.6420	0.000	1	108.6420	0.000	1	108.1562	0.301	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	3:4:3:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(NCH)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(OH)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(NCH)(H){1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]O)	108.5630	0.000	1	108.5630	0.000	1	108.5630	0.000	1	108.1562	0.301	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	3:4:3:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	N[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a]C[6]H)(OH)(H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6,6a]HO)(C[6]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a]C[6]H)(OH)(H){2|H<1>,5|C<3>}	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6,6a]HO)(C[6]C[6]H)(H){1|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6]O)	108.4330	0.000	1	108.4330	0.000	1	108.4330	0.000	1	108.1562	0.301	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	3:4:3:2:	4:	C[6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]O)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6]O[6]C)(OC)	H(C[6]C[6,6a]C[6]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]O)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6]O[6]C)(OC){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]O[6])	107.2700	0.000	1	106.9433	0.091	3	106.9433	0.091	3	106.9433	0.091	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	3:4:3:2:	4:	C[6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]O)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6]O[6]C)(OC)	H(C[6]C[6,6a]C[6]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]O)(O[6]C[6])(H){1|C<4>,1|H<1>,2|O<2>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6]O[6]C)(OC){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6]O[6])	106.8870	0.000	1	106.9433	0.091	3	106.9433	0.091	3	106.9433	0.091	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	3:4:3:2:	4:	C[6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]O)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6]O[6]C)(OC)	H(C[6]C[6,6a]C[6]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]O)(O[6]C[6])(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6]O[6]C)(OC){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6]O[6])	106.6730	0.000	1	106.9433	0.091	3	106.9433	0.091	3	106.9433	0.091	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	3:4:4:1:	4:	C[5a,6]-3:C[6]-4:C-2:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]CH)(CN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CH)(CCHH)(H)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]CH)(CN)(H){2|C<3>,2|N<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CH)(CCHH)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]C[6]C)	108.1750	0.000	1	108.1750	0.000	1	108.1750	0.000	1	108.6165	0.758	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	3:4:4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]CH)(OH)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CH3)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]CH)(OH)(H){5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CH3)(H){1|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6]O)	107.6310	0.000	1	107.6310	0.000	1	108.7637	1.007	3	108.6165	0.758	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	3:4:4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]CH)(OH)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CCHH)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]CH)(OH)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CCHH)(H){5|C<3>}	H(C[6]C[6,6a]C[6]O)	109.3300	0.298	2	109.3300	0.089	2	108.7637	1.007	3	108.6165	0.758	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	3:4:4:2:	4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(NC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(CCCH)(OH)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(NC)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(CCCH)(OH){1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]N)	107.6510	0.000	1	107.6510	0.000	1	107.6510	0.000	1	107.8385	0.070	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	3:4:4:2:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]CO)(OC)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CCHH)(OH)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]CO)(OC)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CCHH)(OH){1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]O)	108.0260	0.000	1	108.0260	0.000	1	108.0260	0.000	1	107.8385	0.070	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	3:4:4:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(OH)(H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6,6a]HO)(CH3)2	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(OH)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6,6a]HO)(CH3)2{1|N<2>,4|C<3>}	H(C[6]C[6,6a]C[6]O)	107.6390	0.000	1	107.6390	0.000	1	107.3125	0.213	2	107.3125	0.213	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	3:4:4:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5a,6]CC)(OH)(H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6,6a]HO)(CH3)2	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5a,6]CC)(OH)(H){1|N<3>,4|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6,6a]HO)(CH3)2{1|N<2>,4|C<3>}	H(C[6]C[6,6a]C[6]O)	106.9860	0.000	1	106.9860	0.000	1	107.3125	0.213	2	107.3125	0.213	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:2:1:1:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[5a,6]HO)(O[6]C[6])(H)2	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]HH)(OC)(H){1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]HO)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	H(C[6]C[5a,6]C[6]O)	109.4530	0.000	1	109.4530	0.000	1	109.4530	0.000	1	109.3205	1.506	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:2:1:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(H)2	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(OC)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(O[6]C[6])(H)2{1|N<2>,2|C<3>}	H(C[6]C[6,6a]C[6]O)	110.4927	1.176	3	110.4927	1.382	3	110.4927	1.382	3	109.3205	1.506	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:2:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(O[6]C[6])(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(O[6]C[6])(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(O[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	108.9700	0.000	1	108.9700	0.000	1	109.3197	0.124	3	109.3205	1.506	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:2:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(O[6]N[6])(H)	C[6](C[6]C[6a]O[6]H)(O[6]C[6])(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(O[6]N[6])(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(O[6]C[6])(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	109.4945	0.254	2	109.4945	0.064	2	109.3197	0.124	3	109.3205	1.506	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:2:1:1:	4:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]S[6]HH)(S[6]C[5,6])(H)	C[6](C[6]C[6a]S[6]H)(S[6]C[5,6])(H)2	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(C[6]S[6]HH)(S[6]C[5,6])(H){1|S<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]S[6]H)(S[6]C[5,6])(H)2{1|S<2>,3|C<3>}	H(C[6]C[6a]C[6]S[6])	106.6440	0.000	1	106.6440	0.000	1	106.6440	0.000	1	109.3205	1.506	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:2:1:1:	4:	N[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6]S[6]HH)(OH)(H)	C[6](C[6]N[5,6]HO)(S[6]C[6])(H)2	H(C[6]N[5,6]C[6]O)	C[6](N[5,6]N[5,6]C[5])(C[6]S[6]HH)(OH)(H){1|O<1>,3|C<4>}	C[6](C[6]N[5,6]HO)(S[6]C[6])(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]N[5,6]C[6]O)	108.2700	0.000	1	108.2700	0.000	1	108.2700	0.000	1	109.3205	1.506	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:2:1:1:	4:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](N[5a]C[5a,6a]C[5a])(C[6]S[6]HH)(O[6]C[6])(H)	C[6](C[6]N[5a]O[6]H)(S[6]C[6])(H)2	H(C[6]N[5a]C[6]O[6])	C[6](N[5a]C[5a,6a]C[5a])(C[6]S[6]HH)(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|N<2>}	C[6](C[6]N[5a]O[6]H)(S[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]N[5a]C[6]O[6])	109.3405	0.941	4	109.3405	0.885	4	109.3405	0.885	4	109.3205	1.506	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:2:3:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(OH)(H){2|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.5180	0.000	1	109.5180	0.000	1	109.5180	0.000	1	109.5767	0.084	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:2:3:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]CH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(O[6]C[6])(COO)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]O[6]CH)(O[6]C[6])(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(O[6]C[6])(COO)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	109.6060	0.404	2	109.6060	0.164	2	109.6060	0.164	2	109.5767	0.084	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:2:4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(OH)(H){1|C<4>,3|C<3>}	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]O)	109.1660	0.000	1	109.1660	0.000	1	109.0646	1.165	15	109.0549	1.146	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:2:4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCCH)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCCH)(H){1|N<2>,2|C<3>}	H(C[6]C[6,6a]C[6]O)	109.6380	0.000	1	109.6380	0.000	1	109.0646	1.165	15	109.0549	1.146	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:2:4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCHH)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCHH)(H){1|N<2>,2|C<3>}	H(C[6]C[6,6a]C[6]O)	110.1280	0.000	1	110.1280	0.000	1	109.0646	1.165	15	109.0549	1.146	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:2:4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H){1|N<2>,2|C<3>}	H(C[6]C[6,6a]C[6]O)	109.0950	0.000	1	110.1590	2.264	2	109.0646	1.165	15	109.0549	1.146	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:2:4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]O)	111.2230	0.000	1	110.1590	2.264	2	109.0646	1.165	15	109.0549	1.146	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:2:4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCCH)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCCH)(H){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]O)	108.3533	0.506	3	107.8377	1.234	4	109.0646	1.165	15	109.0549	1.146	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:2:4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCCH)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H){1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCCH)(H){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]O)	106.2910	0.000	1	107.8377	1.234	4	109.0646	1.165	15	109.0549	1.146	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:2:4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]O)	109.2280	0.244	6	109.2280	0.060	6	109.0646	1.165	15	109.0549	1.146	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:2:4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(OC)(H){2|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.9860	0.000	1	109.9860	0.000	1	109.9860	0.000	1	109.0549	1.146	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:2:4:1:	4:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:N[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6])(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6])(CH3)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6])(H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6])(CH3)(H){4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.9790	0.000	1	107.9790	0.000	1	107.9790	0.000	1	109.0549	1.146	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]H)(H)2	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(OC)(H){1|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]H)(H)2{1|H<1>,1|N<2>,1|N<3>}	H(C[6]C[5a,6]C[6]O)	109.7980	0.000	1	109.7980	0.000	1	109.7980	0.000	1	108.6430	1.174	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[5a]O[6]H)(C[6]C[6]H)(H)2	H(C[6]C[5a]C[6]O[6])	C[6](C[5a]C[5a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5a]O[6]H)(C[6]C[6]H)(H)2{1|C<4>,3|C<3>}	H(C[6]C[5a]C[6]O[6])	108.2395	0.483	2	108.2395	0.233	2	108.2395	0.233	2	108.6430	1.174	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6a]HO)(C[6]N[6]C)(H)2	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]N[6]C)(H)2{1|S<4>,2|C<3>}	H(C[6]C[6,6a]C[6]O)	109.2180	0.000	1	109.2180	0.000	1	108.8622	3.359	9	108.6430	1.174	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]O)	113.0950	0.000	1	110.1815	16.977	2	108.8622	3.359	9	108.6430	1.174	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]C)(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]O)	107.2680	0.000	1	110.1815	16.977	2	108.8622	3.359	9	108.6430	1.174	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(H)2	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]O)	109.4170	0.000	1	109.4170	0.000	1	108.8622	3.359	9	108.6430	1.174	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]O[6]C)(H)2	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]O[6]C)(H)2{2|C<3>}	H(C[6]C[6,6a]C[6]O)	108.1760	0.000	1	108.1760	0.000	1	108.8622	3.359	9	108.6430	1.174	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]S[6]C)(H)2	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|H<1>,1|S<2>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]S[6]C)(H)2{2|C<3>}	H(C[6]C[6,6a]C[6]O)	108.1465	1.074	4	108.1465	1.153	4	108.8622	3.359	9	108.6430	1.174	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	C[6]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2O[6])	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(O[6]C[6])(H){2|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2O[6])	108.2440	0.000	1	108.2440	0.000	1	108.2440	0.000	1	108.6430	1.174	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a,6a]2)(C[6]C[6]HH)(N[6]C[6])(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a,6a]2)(C[6]C[6]HH)(N[6]C[6])(H){1|N<3>,1|O<1>,1|S<2>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.2370	0.000	1	106.2370	0.000	1	107.6098	1.080	5	108.6430	1.174	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|Cl<1>,2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]N[6])	109.1310	0.000	1	109.1310	0.000	1	107.6098	1.080	5	108.6430	1.174	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.5603	0.240	3	107.5603	0.057	3	107.6098	1.080	5	108.6430	1.174	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[3x6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]O)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[3x6])(H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]O)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	109.3795	0.390	2	109.3795	0.152	2	108.8079	0.447	20	108.6430	1.174	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]O)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]O)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	108.5140	0.086	2	108.1883	0.322	3	108.8079	0.447	20	108.6430	1.174	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]O)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]O)(H)2{4|C<3>}	H(C[6]C[6a]C[6]O[6])	107.5370	0.000	1	108.1883	0.322	3	108.8079	0.447	20	108.6430	1.174	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6a]C[6]O[6])	108.1710	0.055	2	108.9072	0.766	5	108.8079	0.447	20	108.6430	1.174	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]O[6])	109.3440	0.000	1	108.9072	0.766	5	108.8079	0.447	20	108.6430	1.174	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H)2{4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.6340	0.000	1	108.9072	0.766	5	108.8079	0.447	20	108.6430	1.174	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H)2{4|C<3>}	H(C[6]C[6a]C[6]O[6])	110.2160	0.000	1	108.9072	0.766	5	108.8079	0.447	20	108.6430	1.174	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	110.0730	0.000	1	108.8945	0.777	4	108.8079	0.447	20	108.6430	1.174	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){3|C<3>,5|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6a]C[6]O[6])	108.7155	0.453	2	108.8945	0.777	4	108.8079	0.447	20	108.6430	1.174	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){3|C<3>,5|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	108.0740	0.000	1	108.8945	0.777	4	108.8079	0.447	20	108.6430	1.174	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	108.8735	0.124	2	108.7626	0.097	5	108.8079	0.447	20	108.6430	1.174	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	109.1220	0.000	1	108.7626	0.097	5	108.8079	0.447	20	108.6430	1.174	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	108.4720	0.228	2	108.7626	0.097	5	108.8079	0.447	20	108.6430	1.174	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6a]C[6])(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.9070	0.000	1	108.9070	0.000	1	108.8079	0.447	20	108.6430	1.174	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	108.7110	0.000	1	108.3483	1.047	7	108.2967	1.708	9	108.6430	1.174	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]O[6])	108.8220	0.000	1	108.3483	1.047	7	108.2967	1.708	9	108.6430	1.174	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	108.0775	1.363	4	108.3483	1.047	7	108.2967	1.708	9	108.6430	1.174	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H){1|S<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	108.5950	0.000	1	108.3483	1.047	7	108.2967	1.708	9	108.6430	1.174	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(H)2{3|C<3>}	H(C[6]C[6a]C[6]O[6])	106.2060	0.000	1	106.2060	0.000	1	108.2967	1.708	9	108.6430	1.174	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]N[6])(H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]N[6])(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	110.0260	0.000	1	110.0260	0.000	1	108.2967	1.708	9	108.6430	1.174	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]S[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(S[6]C[6]O)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]S[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(S[6]C[6]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]O[6])	108.6505	0.013	2	108.6505	0.000	2	108.6505	0.000	2	108.6430	1.174	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H){4|C<3>,4|H<1>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6a]C[6]S[6])	108.3620	0.000	1	108.3620	0.000	1	108.9967	0.435	7	108.6430	1.174	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]S[6])	109.4827	0.723	3	109.4827	0.523	3	108.9967	0.435	7	108.6430	1.174	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H)	C[6](C[6]C[6a]S[6]H)(C[6]N[6]O)(H)2	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]S[6]H)(C[6]N[6]O)(H)2{4|C<3>}	H(C[6]C[6a]C[6]S[6])	108.7223	0.337	3	108.7223	0.113	3	108.9967	0.435	7	108.6430	1.174	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	N[6]-3:C[6]-4:S-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(SC)(H)	C[6](C[6]N[6]HS)(C[6]N[6]O)(H)2	H(C[6]C[6]N[6]S)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(SC)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6](C[6]N[6]HS)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]S)	108.5760	1.141	2	108.5760	1.302	2	108.5760	1.302	2	108.6430	1.174	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:1:1:	4:	N[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H)	C[6](C[6]N[6a]O[6]H)(N[6]C[6]H)(H)2	H(C[6]N[6a]C[6]O[6])	C[6](N[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]N[6a]O[6]H)(N[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]N[6a]C[6]O[6])	109.3470	0.000	1	109.3470	0.000	1	109.3470	0.000	1	108.6430	1.174	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:2:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]I)(OC)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OC)(H){1|I<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]I)(OC)(H){1|C<4>,2|C<3>}	H(C[6]C[6,6a]C[6]O)	109.5920	0.000	1	109.5920	0.000	1	107.9739	2.417	7	108.0283	2.182	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:2:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC)(H){1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]O)	106.1730	0.000	1	106.1730	0.000	1	107.9739	2.417	7	108.0283	2.182	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:2:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC[6a])(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC[6a])(H){1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]O)	107.4133	1.556	3	107.4133	2.422	3	107.9739	2.417	7	108.0283	2.182	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:2:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OH)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]O)	108.1580	0.000	1	108.1580	0.000	1	107.9739	2.417	7	108.0283	2.182	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:2:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OSi)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OSi)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC)(H){1|C<4>,2|C<3>}	H(C[6]C[6,6a]C[6]O)	109.6540	0.000	1	109.6540	0.000	1	107.9739	2.417	7	108.0283	2.182	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:2:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(OH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(O[6]C[6])(H){4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]O)	108.2190	1.691	2	108.2190	2.861	2	108.2190	2.861	2	108.0283	2.182	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:3:1:	4:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6a]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[5a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	H(C[6]C[5a]C[6]O[6])	C[6](C[5a]C[5a]O[5a])(C[6]C[6a]C[6]H)(O[6]C[6])(H){1|O<1>,2|H<1>,5|C<3>}	C[6](C[6]C[5a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[5a]C[6]O[6])	108.3200	0.000	1	108.3200	0.000	1	108.3200	0.000	1	108.3763	1.915	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:3:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]N[6]H)(OSi)(H)	C[6](C[6]C[6,6]HO)(C[6a]C[6a]2)(N[6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]N[6]H)(OSi)(H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HO)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]O)	106.5750	0.000	1	106.5750	0.000	1	106.5750	0.000	1	108.3763	1.915	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(NC[6a]C)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(NC[6a]C)(H){1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]O)	108.7610	0.299	4	108.7610	0.089	4	108.7610	0.089	4	108.3763	1.915	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(N[6]C[6]2)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(N[6]C[6]2)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]O)	108.2080	0.000	1	108.1175	0.016	2	108.1175	0.016	2	108.3763	1.915	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(N[6]C[6]2)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(N[6]C[6]2)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]O)	108.0270	0.000	1	108.1175	0.016	2	108.1175	0.016	2	108.3763	1.915	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]O)	107.0010	0.117	2	107.1460	1.883	4	108.3275	4.527	6	108.3763	1.915	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]H)(H){3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]O)	107.2910	2.356	2	107.1460	1.883	4	108.3275	4.527	6	108.3763	1.915	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]N[6]O)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]O)	110.6905	0.486	2	110.6905	0.236	2	108.3275	4.527	6	108.3763	1.915	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(OSi)(H)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(OSi)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]O)	110.0270	0.000	1	110.0270	0.000	1	110.0270	0.000	1	108.3763	1.915	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:3:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]Ge[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]N[6]C)(CCN)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]Ge[6])(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]N[6]C)(CCN)(H){1|Ge<2>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	107.6930	0.000	1	107.6930	0.000	1	107.6930	0.000	1	108.3763	1.915	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:3:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(N[6]N[6]H)(COO)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(N[6]N[6]H)(COO)(H){3|C<3>}	H(C[6]C[6a]C[6]O[6])	107.3530	0.000	1	107.3530	0.000	1	107.3530	0.000	1	108.3763	1.915	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:3:1:	4:	N[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(OC)(H)	C[6](C[6]N[6]HO)(C[6]C[6]O)(CC[6a]N)(H)	H(C[6]C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(OC)(H){1|O<1>,4|C<3>}	C[6](C[6]N[6]HO)(C[6]C[6]O)(CC[6a]N)(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6]O)	109.5610	0.000	1	109.5610	0.000	1	109.5610	0.000	1	108.3763	1.915	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:3:4:	4:	C[6,6a]-3:C[6]-4:S-2:H-1:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(SC)(H)	C[6](C[6]C[6,6a]HS)(C[6a]C[6a]2)(C[6]N[6]S)(CH3)	H(C[6]C[6,6a]C[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(SC)(H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[6](C[6]C[6,6a]HS)(C[6a]C[6a]2)(C[6]N[6]S)(CH3){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]S)	106.3205	0.097	2	106.3205	0.009	2	106.3205	0.009	2	106.3205	0.009	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:4:1:	4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]P[5])(C[6]C[6a]C[6]H)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]P[5])(C[6]C[6a]C[6]H)(OC)(H){1|C<4>,1|W<6>,2|H<1>,5|C<3>}	C[6](C[6]C[5,6]HO)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|P<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]O)	108.9000	0.000	1	108.9000	0.000	1	108.9000	0.000	1	108.3462	1.855	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:4:1:	4:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CH)(O[6]C[6])(H)	C[6](C[6]C[5a]O[6]H)(C[6]C[6]O)(CH3)(H)	H(C[6]C[5a]C[6]O[6])	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CH)(O[6]C[6])(H){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6]C[5a]O[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[5a]C[6]O[6])	109.3020	0.000	1	109.3020	0.000	1	109.3020	0.000	1	108.3462	1.855	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:C-2:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CN)(H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]CH)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CN)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	108.6130	0.000	1	108.6130	0.000	1	108.6595	0.004	2	108.3462	1.855	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:C-2:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CN)(H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CN)(H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	108.7060	0.000	1	108.7060	0.000	1	108.6595	0.004	2	108.3462	1.855	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[6,6a]HO)(C[6]O[6]O)(CCHH)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OC)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]O[6]O)(CCHH)(H){2|C<3>}	H(C[6]C[6,6a]C[6]O)	110.2620	0.000	1	110.2620	0.000	1	109.5520	5.608	3	108.3462	1.855	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(CCHS)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(CCHS)(H){1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]O)	106.9100	0.000	1	106.9100	0.000	1	109.5520	5.608	3	108.3462	1.855	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(CC[6a]HH)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(CC[6a]HH)(H){1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]O)	111.4840	0.000	1	111.4840	0.000	1	109.5520	5.608	3	108.3462	1.855	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OC)(H)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OC)(H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]CH)(H){4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]O)	109.8840	0.000	1	109.8840	0.000	1	108.3710	1.905	3	108.3462	1.855	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]CH)(H){4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]O)	108.0480	0.000	1	108.0480	0.000	1	108.3710	1.905	3	108.3462	1.855	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]O[6]FF)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]O[6]FF)(H){1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6,6a]C[6]O)	107.1810	0.000	1	107.1810	0.000	1	108.3710	1.905	3	108.3462	1.855	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[5,6])(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]O)(CC[6a]HH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[5,6])(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]O)(CC[6a]HH)(H){4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.2370	0.000	1	108.2370	0.000	1	108.2370	0.000	1	108.3462	1.855	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6])(H)	C[6](C[6]C[6a]N[6]H)(N[6]N[6]H)(CF3)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6])(H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]N[6]H)(CF3)(H){1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.2645	0.054	2	108.2645	0.003	2	108.2645	0.003	2	108.3462	1.855	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6,6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]C)(CCHH)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6,6])(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]C)(CCHH)(H){2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]O[6])	107.9860	0.000	1	107.9860	0.000	1	108.7264	0.266	7	108.3462	1.855	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(CH3)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]O[6])	109.0888	0.204	4	108.8498	0.191	6	108.7264	0.266	7	108.3462	1.855	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(CH3)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	108.3720	0.382	2	108.8498	0.191	6	108.7264	0.266	7	108.3462	1.855	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[3,6])(H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]C)(CH3)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[3,6])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(N[6]C[6]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	H(C[6]C[6a]C[6]O[6])	108.7060	0.000	1	108.7060	0.000	1	107.9452	2.639	14	108.3462	1.855	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6,6])(H)	C[6](C[6]C[6a]O[6]H)(N[6]N[6,6]C)(CH3)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(N[6]N[6,6]C)(CH3)(H){2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]O[6])	107.6023	3.734	3	107.6023	13.941	3	107.9452	2.639	14	108.3462	1.855	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]C)(CH3)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(N[6]C[6]C)(CH3)(H){1|O<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	108.7240	0.000	1	108.7475	0.001	2	107.9452	2.639	14	108.3462	1.855	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]C)(CH3)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(N[6]C[6]C)(CH3)(H){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.7710	0.000	1	108.7475	0.001	2	107.9452	2.639	14	108.3462	1.855	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(CH3)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(CH3)(H){1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	108.2080	0.362	2	107.9539	0.375	7	107.9452	2.639	14	108.3462	1.855	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(CH3)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(CH3)(H){4|C<3>}	H(C[6]C[6a]C[6]O[6])	107.8430	0.244	3	107.9539	0.375	7	107.9452	2.639	14	108.3462	1.855	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(CH3)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(CH3)(H){1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	107.8660	1.349	2	107.9539	0.375	7	107.9452	2.639	14	108.3462	1.855	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]N[6])(H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(CCHH)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]N[6])(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(CCHH)(H){1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	106.5480	0.000	1	106.5480	0.000	1	107.9452	2.639	14	108.3462	1.855	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(S[6]C[6])(H)	C[6](C[6]C[6a]S[6]H)(N[6]C[6]C)(CH3)(H)	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(S[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]S[6]H)(N[6]C[6]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	H(C[6]C[6a]C[6]S[6])	107.9180	0.000	1	107.9180	0.000	1	107.9180	0.000	1	108.3462	1.855	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:4:1:	4:	N[5]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[5]C[5,5,6]S[5])(C[6]C[6a]C[6]H)(O[6]C[6])(H)	C[6](C[6]N[5]O[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]N[5]O[6])	C[6](N[5]C[5,5,6]S[5])(C[6]C[6a]C[6]H)(O[6]C[6])(H){2|C<3>,2|O<1>,4|C<4>,5|H<1>}	C[6](C[6]N[5]O[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[5]O[6])	106.1720	0.000	1	106.1720	0.000	1	106.1720	0.000	1	108.3462	1.855	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:4:2:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(OH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH){1|C<4>,2|C<3>}	H(C[6]C[6,6]C[6]O)	108.0603	0.348	3	108.1200	0.095	4	108.1200	0.095	4	107.7442	0.777	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:4:2:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(OH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH){3|C<3>}	H(C[6]C[6,6]C[6]O)	108.2990	0.000	1	108.1200	0.095	4	108.1200	0.095	4	107.7442	0.777	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:4:2:	4:	C[6a]-3:C[6]-4:C[6]-2:H-1:	C[6]-4:N[6]-3:C-4:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6])(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CCHH)(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6])(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CCHH)(CN){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	106.2410	0.000	1	106.2410	0.000	1	106.2410	0.000	1	107.7442	0.777	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:4:3:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]O[6]C)(CH3)(CCO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]O[6]C)(CH3)(CCO){2|C<3>}	H(C[6]C[6,6a]C[6]O)	108.3540	1.720	2	108.3540	2.957	2	108.3540	2.957	2	107.8610	1.297	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:4:3:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:P[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]P[6])(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(P[6]O[6]2O)(C[6]S[6]C)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]P[6])(OH)(H){1|H<1>,1|O<1>,1|S<2>,2|O<2>,5|C<3>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(P[6]O[6]2O)(C[6]S[6]C){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]O)	107.0320	0.000	1	107.0320	0.000	1	107.0320	0.000	1	107.8610	1.297	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:4:3:	4:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(N[6]C[5,6])(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]O)(CC[6a]HH)(NCH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(N[6]C[5,6])(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]O)(CC[6a]HH)(NCH){4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.0600	0.000	1	107.0600	0.000	1	107.0600	0.000	1	107.8610	1.297	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:4:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]N[6]O)(CH3)(NCH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(O[6]C[6])(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6a]O[6]H)(C[6]N[6]O)(CH3)(NCH){1|C<4>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	108.5050	0.000	1	108.5050	0.000	1	108.5050	0.000	1	107.8610	1.297	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:3:4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]N[6]C)(CCHH)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]C[6])(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]N[6]C)(CCHH)2{1|C<4>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	106.9500	0.000	1	106.9500	0.000	1	106.9500	0.000	1	106.9500	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(OC)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(H)2{3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]O)	110.1140	0.000	1	110.1140	0.000	1	110.1140	0.000	1	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]ClH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(Cl)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]ClH)(OH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]C[6]O)	109.2030	0.000	1	109.2030	0.000	1	109.2030	0.000	1	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]O)	108.9130	0.000	1	108.9130	0.000	1	109.3029	0.234	7	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(OSi)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]O)	108.5730	0.000	1	108.5730	0.000	1	109.3029	0.234	7	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[5,6]HO)(H)2{3|C<3>}	H(C[6]C[5,6]C[6]O)	109.6310	0.291	4	109.6310	0.085	4	109.3029	0.234	7	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]O)	109.1100	0.000	1	109.1100	0.000	1	109.3029	0.234	7	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(OO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HO)(H)2	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(OO)(H){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HO)(H)2{1|H<1>,1|O<1>,2|C<3>,2|N<3>}	H(C[6]C[5a,6]C[6]O)	109.9570	0.000	1	109.9570	0.000	1	109.9570	0.000	1	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[5a,6]C[6]O)	110.1750	0.000	1	110.1750	0.000	1	109.8124	1.998	9	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[5a,6]C[6]O)	112.8620	0.000	1	112.8620	0.000	1	109.8124	1.998	9	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[5a,6]C[6]O)	110.0110	0.000	1	110.0110	0.000	1	109.8124	1.998	9	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]CC)(H)2	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]CC)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5a,6]C[6]O)	107.6600	0.000	1	107.6600	0.000	1	109.8124	1.998	9	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[3,6]HH)(H)2	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HO)(C[6]C[3,6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>}	H(C[6]C[5a,6]C[6]O)	109.8340	0.000	1	109.8340	0.000	1	109.8124	1.998	9	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]C[6]O)	109.3130	0.000	1	109.8390	0.553	2	109.8124	1.998	9	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[5a,6]C[6]O)	110.3650	0.000	1	109.8390	0.553	2	109.8124	1.998	9	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]O)	109.3210	0.000	1	109.0460	0.151	2	109.8124	1.998	9	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]O)	108.7710	0.000	1	109.0460	0.151	2	109.8124	1.998	9	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[5a]O[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[5a]C[6]O[6])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5a]O[6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5a]C[6]O[6])	108.7270	0.242	2	108.7223	0.029	3	108.7223	0.029	3	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[5a]O[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[5a]C[6]O[6])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5a]O[6]H)(C[6]C[6a]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[5a]C[6]O[6])	108.7130	0.000	1	108.7223	0.029	3	108.7223	0.029	3	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6]C[6]O)	109.1300	0.000	1	109.1300	0.000	1	109.1300	0.000	1	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[4,6,6]C[5,6])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[4,6,6]C[5,6])(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6,6]HO)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]O)	107.4320	0.000	1	107.4320	0.000	1	107.6714	1.444	17	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]O)	108.1840	0.000	1	108.6300	0.398	2	107.6714	1.444	17	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(OH)(H){1|H<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]O)	109.0760	0.000	1	108.6300	0.398	2	107.6714	1.444	17	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OC)(H){7|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	107.9750	0.000	1	107.9750	0.000	1	107.6714	1.444	17	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OH)(H){7|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	107.7530	0.000	1	107.7530	0.000	1	107.6714	1.444	17	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OH)(H){1|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]O)	107.4170	0.000	1	107.4170	0.000	1	107.6714	1.444	17	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OC)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]O)	109.8170	0.000	1	109.8170	0.000	1	107.6714	1.444	17	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	107.3035	0.636	2	108.0390	0.859	4	107.6714	1.444	17	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H){2|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	108.7745	0.101	2	108.0390	0.859	4	107.6714	1.444	17	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]O)	107.6270	0.000	1	106.7673	1.603	6	107.6714	1.444	17	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]O)	108.8860	0.000	1	106.7673	1.603	6	107.6714	1.444	17	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H){3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]O)	106.0228	0.435	4	106.7673	1.603	6	107.6714	1.444	17	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|H<1>,5|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]O)	108.7990	0.000	1	108.7990	0.000	1	109.0137	0.889	25	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<3>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]O)	107.4065	0.271	2	107.4065	0.073	2	109.0137	0.889	25	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|H<1>,5|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]O)	109.2490	0.164	2	109.2490	0.027	2	109.0137	0.889	25	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]O)	108.9170	0.000	1	109.8088	0.354	4	109.0137	0.889	25	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]O)	110.0920	0.000	1	109.8088	0.354	4	109.0137	0.889	25	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]O)	110.1130	0.000	2	109.8088	0.354	4	109.0137	0.889	25	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]O)	109.7100	0.098	5	109.7100	0.010	5	109.0137	0.889	25	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,5|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]O)	108.1900	0.000	1	108.1900	0.000	1	109.0137	0.889	25	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]O)	107.8110	0.000	1	107.8110	0.000	1	109.0137	0.889	25	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6,6]C[6]O)	108.6635	0.582	4	108.8558	1.054	8	109.0137	0.889	25	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]O)	108.8875	0.035	2	108.8558	1.054	8	109.0137	0.889	25	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]O)	110.9350	0.000	1	108.8558	1.054	8	109.0137	0.889	25	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	107.4820	0.000	1	108.8558	1.054	8	109.0137	0.889	25	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6,6]C[6]O)	108.6010	0.000	1	108.6010	0.000	1	109.0137	0.889	25	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CN)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]CH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CN)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]CH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6a]C[6]C)	105.3620	0.000	1	105.3620	0.000	1	105.3620	0.000	1	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(NS)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(NS)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(Br)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]N)	108.7710	0.000	1	108.7710	0.000	1	108.7710	0.000	1	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NC)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NC)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]N)	108.3810	0.000	1	108.3810	0.000	1	108.3273	0.471	13	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NN)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NN)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6,6a]C[6]N)	108.1187	0.854	6	108.1187	0.729	6	108.3273	0.471	13	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]N)	108.5267	0.394	4	108.5267	0.156	4	108.3273	0.471	13	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NS)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]CH)(H)2	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NS)(H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]N)	109.2450	0.000	1	108.5275	1.030	2	108.3273	0.471	13	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NS)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]CH)(H)2	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NS)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]N)	107.8100	0.000	1	108.5275	1.030	2	108.3273	0.471	13	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HO)(H)2	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HO)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6a]C[6]O)	106.9270	0.000	1	106.9270	0.000	1	106.9270	0.000	1	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]BrH)(Br)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]BrH)(Br)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]O)	107.6750	0.250	2	107.6750	0.063	2	108.8176	1.321	16	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(Br)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]O)	110.2893	0.079	3	110.2893	0.006	3	108.8176	1.321	16	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H)	C[6](C[6]C[6,6a]HO)(C[6]O[6]CC)(Br)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H){1|C<3>,1|N<2>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6a]HO)(C[6]O[6]CC)(Br)(H){2|C<3>}	H(C[6]C[6,6a]C[6]O)	109.9250	0.000	1	109.9250	0.000	1	108.8176	1.321	16	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[5,6]HO)(Br)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[5,6]HO)(Br)(H){1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]O)	106.8660	0.000	1	106.8660	0.000	1	108.8176	1.321	16	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]BrH)(Br)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]BrH)(Br)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]O)	108.5105	0.861	2	108.5105	0.741	2	108.8176	1.321	16	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(Br)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(Br)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]O)	108.0180	0.328	2	108.0180	0.108	2	108.8176	1.321	16	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(Br)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]O)	108.8287	1.118	3	108.8287	1.250	3	108.8176	1.321	16	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]BrH)(OC)(H)	C[6](C[6]C[6,6a]HO)(C[6]O[6]CC)(Br)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]BrH)(OC)(H){2|C<3>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6a]HO)(C[6]O[6]CC)(Br)(H){2|C<3>}	H(C[6]C[6,6a]C[6]O)	108.8310	0.000	1	108.8310	0.000	1	108.8176	1.321	16	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]BrH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]O[6]CC)(Br)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]BrH)(OH)(H){2|C<3>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6a]HO)(C[6]O[6]CC)(Br)(H){2|C<3>}	H(C[6]C[6,6a]C[6]O)	109.6990	0.000	1	109.6990	0.000	1	108.8176	1.321	16	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6,6]HO)(Cl)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(OH)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6a]HO)(C[6]C[6,6]HO)(Cl)(H){2|C<3>,2|O<2>}	H(C[6]C[6,6a]C[6]O)	109.0440	0.000	1	109.0440	0.000	1	107.9697	0.879	3	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(Cl)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]O)	107.4325	0.162	2	107.4325	0.026	2	107.9697	0.879	3	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[5,6]HO)(H)2	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[5,6]HO)(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]O)	108.7610	0.095	2	108.7610	0.009	2	108.7326	0.976	45	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[5,6]HO)(H)2	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[5,6]HO)(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]O)	108.3520	1.389	2	108.3520	1.929	2	108.7326	0.976	45	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]O)	109.1805	0.103	2	109.1805	0.011	2	108.7326	0.976	45	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]O)	110.0940	0.000	1	110.0940	0.000	1	108.7326	0.976	45	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CO)(H)2	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]CO)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]O)	109.0930	0.000	1	109.0930	0.000	1	108.7326	0.976	45	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]O)	109.5850	0.078	2	109.1470	1.129	10	108.7326	0.976	45	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,1|I<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]O)	109.1937	0.350	4	109.1470	1.129	10	108.7326	0.976	45	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]O)	108.8812	1.742	4	109.1470	1.129	10	108.7326	0.976	45	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6a]HO)(C[6]N[6]CH)(H)2	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]O)	108.9970	0.000	1	108.9970	0.000	1	108.7326	0.976	45	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HO)(H)2	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HO)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]O)	109.3220	0.000	1	109.3220	0.000	1	108.7326	0.976	45	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HO)(H)2	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HO)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6]O)	109.0790	0.000	1	109.0790	0.000	1	108.7326	0.976	45	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]HO)(H)2	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]HO)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6]O)	108.5925	0.637	2	108.5925	0.406	2	108.7326	0.976	45	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC[6])(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CO)(H)2	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC[6])(H){1|C<4>,2|O<2>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]CO)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]O)	108.3740	0.505	2	108.3740	0.255	2	108.7326	0.976	45	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]O)	109.0150	0.000	1	107.8951	0.671	9	108.7326	0.976	45	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]O)	108.4790	0.000	1	107.8951	0.671	9	108.7326	0.976	45	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]O)	107.6517	0.748	7	107.8951	0.671	9	108.7326	0.976	45	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]N[6]CH)(H)2	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]O)	109.4160	0.000	1	109.4160	0.000	1	108.7326	0.976	45	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HO)(H)2	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HO)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]O)	106.9740	0.000	1	106.9740	0.000	1	108.7326	0.976	45	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HO)(H)2	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HO)(H)2{5|C<3>}	H(C[6]C[6,6a]C[6]O)	109.9090	0.000	1	109.9090	0.000	1	108.7326	0.976	45	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CO)(H)2	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]CO)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]O)	108.0500	0.000	1	108.0500	0.000	1	108.7326	0.976	45	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6,6a]C[6]O)	108.5138	1.270	4	108.5138	1.612	4	108.7326	0.976	45	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>}	H(C[6]C[6,6a]C[6]O)	109.6443	0.424	3	109.6443	0.180	3	108.7326	0.976	45	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6,6a]HO)(N[6]C[6]CH)(H)2	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]HO)(N[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]O)	108.0695	1.234	2	108.0695	1.523	2	108.0695	1.523	2	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:S-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(SC[6a])(H)	C[6](C[6]C[6,6a]HS)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]S)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(SC[6a])(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]HS)(C[6]C[6]HH)(H)2{1|H<1>,1|S<2>,2|C<3>}	H(C[6]C[6,6a]C[6]S)	108.4817	0.604	6	108.4817	0.365	6	108.4817	0.365	6	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NC[5])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NC[5])(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2N)	109.0825	0.091	4	109.0825	0.008	4	109.0825	0.008	4	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HO)(H)2{3|C<3>}	H(C[6]C[6]2O)	109.1050	0.000	1	109.1050	0.000	1	108.7454	0.572	44	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(OSi)(H){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2O)	107.8160	0.000	1	107.8160	0.000	1	108.7454	0.572	44	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2O)	107.5655	0.011	2	107.5655	0.000	2	108.7454	0.572	44	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]HO)(H)2{1|C<2>,1|C<3>,1|N<3>}	H(C[6]C[6]2O)	108.2660	0.000	1	108.2660	0.000	1	108.7454	0.572	44	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OC)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2O)	108.4070	0.000	1	108.4070	0.000	1	108.7454	0.572	44	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2O)	109.5630	0.000	1	109.5630	0.000	1	108.7454	0.572	44	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2O)	107.3520	0.000	1	107.9315	0.588	6	108.7454	0.572	44	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2O)	106.7730	0.000	1	107.9315	0.588	6	108.7454	0.572	44	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2O)	107.8110	0.000	1	107.9315	0.588	6	108.7454	0.572	44	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2O)	108.5510	0.222	3	107.9315	0.588	6	108.7454	0.572	44	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2O)	108.9560	0.535	5	108.9560	0.286	5	108.7454	0.572	44	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2O)	109.5920	0.255	4	109.5920	0.065	4	108.7454	0.572	44	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2O)	109.2850	0.000	1	109.2893	0.002	3	108.7454	0.572	44	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OC)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2O)	109.2915	0.063	2	109.2893	0.002	3	108.7454	0.572	44	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2O)	108.8500	0.000	1	108.8500	0.000	1	108.7454	0.572	44	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2O)	107.7170	0.000	1	108.3096	0.191	5	108.7454	0.572	44	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2O)	108.3763	0.350	3	108.3096	0.191	5	108.7454	0.572	44	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2O)	108.7020	0.000	1	108.3096	0.191	5	108.7454	0.572	44	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2O)	109.3322	0.044	5	109.3322	0.002	5	108.7454	0.572	44	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2O)	108.0135	0.091	2	108.0135	0.008	2	108.7454	0.572	44	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2O)	109.7220	0.187	2	109.7220	0.035	2	108.7454	0.572	44	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2{3|C<3>}	H(C[6]C[6]2O)	109.3130	0.000	1	109.3130	0.000	1	108.7454	0.572	44	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(OC)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2O)	108.3380	0.139	2	108.3380	0.019	2	108.7454	0.572	44	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2O)	109.3840	0.000	1	109.3840	0.000	1	108.7454	0.572	44	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[5,6])(H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[5,6])(H){2|N<3>,3|C<3>,3|H<1>}	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6a]N[6]H)(H)2{1|N<2>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.5780	0.851	2	107.5780	0.725	2	107.4615	0.269	4	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(H)	C[6](C[6]C[6a]N[6]H)(C[6]O[6]HO)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(H){2|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]O[6]HO)(H)2{3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.3450	0.164	2	107.3450	0.027	2	107.4615	0.269	4	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6]HH)(O[6]C[6])(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6a]O[6]H)(H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.8500	0.000	1	108.8500	0.000	1	108.8500	0.000	1	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CC)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	109.2820	0.000	1	109.2820	0.000	1	108.8959	0.962	59	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	109.0430	0.000	1	109.0430	0.000	1	108.8959	0.962	59	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	111.3735	1.238	2	111.3735	1.533	2	108.8959	0.962	59	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]CN)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]CN)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]O[6])	104.3000	0.000	1	104.3000	0.000	1	108.8959	0.962	59	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H){1|Cr<9>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(H)2{1|Cr<9>,2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]O[6])	108.6810	0.253	2	108.6810	0.064	2	108.8959	0.962	59	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]O[6]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	109.1100	0.000	2	109.1100	0.000	2	108.8959	0.962	59	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(H)2{1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.3845	0.845	2	108.5211	0.178	8	108.8959	0.962	59	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.4115	0.161	2	108.5211	0.178	8	108.8959	0.962	59	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(H)2{1|C<2>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	108.5990	0.423	3	108.5211	0.178	8	108.8959	0.962	59	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	108.7800	0.000	1	108.5211	0.178	8	108.8959	0.962	59	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]O[6]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	109.1000	0.000	1	109.1000	0.000	1	108.8959	0.962	59	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]O[6]H)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.6670	0.000	1	108.6670	0.000	1	108.8959	0.962	59	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]2F)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|F<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]2F)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6a]C[6]O[6])	108.7795	0.008	2	108.7795	0.000	2	108.8959	0.962	59	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|O<2>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	108.8230	0.000	1	108.8230	0.000	1	108.8959	0.962	59	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CN)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CN)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	109.1865	0.053	2	108.9357	0.123	4	108.8959	0.962	59	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CN)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CN)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	108.6850	0.337	2	108.9357	0.123	4	108.8959	0.962	59	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]ClH)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]ClH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	109.2510	0.000	1	109.2510	0.000	1	108.8959	0.962	59	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	108.6100	0.000	1	108.6815	0.201	6	108.8959	0.962	59	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	108.1595	0.128	2	108.6815	0.201	6	108.8959	0.962	59	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	109.0110	0.000	1	108.6815	0.201	6	108.8959	0.962	59	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6a]C[6]O[6])	109.1720	0.000	1	108.6815	0.201	6	108.8959	0.962	59	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6a]C[6]O[6])	108.9770	0.000	1	108.6815	0.201	6	108.8959	0.962	59	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HN)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HN)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	108.6530	0.000	1	108.7955	0.041	2	108.8959	0.962	59	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HN)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HN)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6a]C[6]O[6])	108.9380	0.000	1	108.7955	0.041	2	108.8959	0.962	59	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	108.4850	0.000	1	108.5425	0.007	2	108.8959	0.962	59	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	108.6000	0.000	1	108.5425	0.007	2	108.8959	0.962	59	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]N[6]CH)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]N[6]CH)(H)2{3|C<3>}	H(C[6]C[6a]C[6]O[6])	108.5690	0.000	1	108.5690	0.000	1	108.8959	0.962	59	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6,6])(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6,6])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]O[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.9993	1.038	3	108.9993	1.078	3	108.8959	0.962	59	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6,6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]CC)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6,6])(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]CC)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6a]C[6]O[6])	109.5050	0.636	6	109.5050	0.404	6	108.8959	0.962	59	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CN)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6])(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CN)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	109.8577	0.137	3	109.8577	0.019	3	108.8959	0.962	59	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6])(H){3|C<3>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6a]C[6]O[6])	108.5000	0.000	1	108.5000	0.000	1	108.8959	0.962	59	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HN)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HN)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	110.0370	0.000	1	110.0370	0.000	1	108.8959	0.962	59	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]P[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]CC)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]P[6])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6a]O[6]H)(C[6]O[6]CC)(H)2{1|P<4>,2|C<3>}	H(C[6]C[6a]C[6]O[6])	109.3200	0.000	1	109.3200	0.000	1	108.8959	0.962	59	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]P[6])(H)	C[6](C[6]C[6a]O[6]H)2(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]P[6])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]O[6]H)2(H)2{1|P<4>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.3003	0.738	6	108.3003	0.545	6	108.8959	0.962	59	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HI)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)(I)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HI)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)(I){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	107.8940	0.000	1	107.8940	0.000	1	107.8940	0.000	1	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]CH)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(N[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	109.2660	0.000	1	109.2660	0.000	1	109.2660	0.000	1	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6,6])(H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6]CO)(H)2	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6,6])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6]CO)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]S[6])	108.0000	0.000	1	108.0000	0.000	1	104.0278	32.483	8	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6,6])(H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6,6])(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]S[6])	97.1315	2.598	2	97.2567	3.422	3	104.0278	32.483	8	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6,6])(H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6,6])(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]S[6])	97.5072	0.000	1	97.2567	3.422	3	104.0278	32.483	8	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]S[6]H)(H)2	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H){2|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]S[6]H)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]S[6])	107.9747	0.336	3	107.9747	0.113	3	104.0278	32.483	8	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H)	C[6](C[6]C[6a]S[6]H)(C[6]N[6]CO)(H)2	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]S[6]H)(C[6]N[6]CO)(H)2{3|C<3>}	H(C[6]C[6a]C[6]S[6])	108.5280	0.000	1	108.5280	0.000	1	104.0278	32.483	8	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:Se[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(Se[6]C[6])(H)	C[6](C[6]C[6a]Se[6]H)(C[6]N[6]CO)(H)2	H(C[6]C[6a]Se[6]C[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(Se[6]C[6])(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]Se[6]H)(C[6]N[6]CO)(H)2{3|C<3>}	H(C[6]C[6a]Se[6]C[6])	108.4860	0.018	2	108.4860	0.000	2	108.4860	0.000	2	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CC)(H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]CH)(H)2	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CC)(H){3|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]N[5,6]CH)(H)2{1|H<1>,3|C<4>}	H(C[6]N[5,6]C[6]C)	109.2690	0.000	1	109.2690	0.000	1	109.2690	0.000	1	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HO)(H)2	H(C[6]N[5,6]C[6]O)	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6]C[6,6]HH)(OC)(H){3|C<3>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HO)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]O)	108.5330	0.000	1	108.5330	0.000	1	108.5330	0.000	1	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HO)(H)2	H(C[6]N[5,6]C[6]O)	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HO)(H)2{1|C<3>,3|C<4>}	H(C[6]N[5,6]C[6]O)	108.9230	0.000	1	108.9230	0.000	1	108.8221	1.198	7	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OC)(H)	C[6](C[6]N[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]N[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[6]N[5,6]C[6]O)	108.9860	0.000	1	108.9860	0.000	1	108.8221	1.198	7	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH)(H)	C[6](C[6]N[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]N[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[6]N[5,6]C[6]O)	109.5100	0.000	1	109.5100	0.000	1	108.8221	1.198	7	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]HO)(H)2	H(C[6]N[5,6]C[6]O)	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]HH)(OH)(H){1|H<1>,2|O<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]HO)(H)2{1|H<1>,1|S<4>,3|C<3>}	H(C[6]N[5,6]C[6]O)	108.5840	1.466	4	108.5840	2.151	4	108.8221	1.198	7	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	N[5]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5]C[5]N[5])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]N[5]O[6])	C[6](N[5]C[5]N[5])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[6]C[6]N[5]O[6])	107.9390	0.000	1	107.9390	0.000	1	107.9390	0.000	1	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	N[5a,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HO)(H)2	H(C[6]N[5a,6]C[6]O)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OC)(H){3|C<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HO)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]N[5a,6]C[6]O)	108.8230	0.021	2	108.8230	0.000	2	108.9258	0.436	9	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	N[5a,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HO)(H)2	H(C[6]N[5a,6]C[6]O)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OH)(H){2|C<4>,4|C<3>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HO)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]N[5a,6]C[6]O)	108.6990	0.000	1	108.5687	0.556	4	108.9258	0.436	9	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	N[5a,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HO)(H)2	H(C[6]N[5a,6]C[6]O)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OH)(H){3|C<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HO)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]N[5a,6]C[6]O)	108.5253	0.907	3	108.5687	0.556	4	108.9258	0.436	9	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	N[5a,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]HO)(H)2	H(C[6]N[5a,6]C[6]O)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(OH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]N[5a,6]C[6]O)	109.4703	0.448	3	109.4703	0.201	3	108.9258	0.436	9	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	N[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[5a,6]HO)(H)2	H(C[6]N[5a,6]C[6]O)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]N[5a,6]HO)(H)2{1|N<3>,5|C<3>}	H(C[6]N[5a,6]C[6]O)	109.3410	0.098	2	109.3410	0.010	2	109.3410	0.010	2	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]N[5]H)(H)2	H(C[6]N[5a]C[6]O[6])	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6]N[5]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]N[5a]C[6]O[6])	106.3950	0.000	1	106.3950	0.000	1	108.2473	0.826	11	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[5a]C[6]O[6])	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,2|N<2>,5|H<1>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]N[5a]C[6]O[6])	108.8757	0.614	3	108.8757	0.377	3	108.2473	0.826	11	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a]C[5a,6a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[5]C[6]H)(H)2	H(C[6]N[5a]C[6]O[6])	C[6](N[5a]C[5a,6a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]N[5a]O[6]H)(C[6]C[5]C[6]H)(H)2{1|Fe<10>,1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]N[5a]C[6]O[6])	106.7750	0.000	1	106.7750	0.000	1	108.2473	0.826	11	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5a]O[6]H)(H)2	H(C[6]N[5a]C[6]O[6])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[5a]O[6]H)(H)2{1|H<1>,1|N<2>,5|C<3>}	H(C[6]N[5a]C[6]O[6])	108.2220	0.000	1	108.2220	0.000	1	108.2473	0.826	11	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[5a]C[6]O[6])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]N[5a]C[6]O[6])	108.2080	0.000	1	108.5793	0.137	3	108.2473	0.826	11	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[5a]C[6]O[6])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]N[5a]C[6]O[6])	108.7650	0.259	2	108.5793	0.137	3	108.2473	0.826	11	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(H)2	H(C[6]N[5a]C[6]O[6])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[6]N[5a]C[6]O[6])	108.4815	0.084	2	108.4815	0.007	2	108.2473	0.826	11	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]N[6])(C[6]C[6]HH)(CN)(H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[6,6]N[6])(C[6]C[6]HH)(CN)(H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]N[6,6]C[6]C)	112.9953	1.599	3	112.9953	2.558	3	111.8637	6.827	4	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(CN)(H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(CN)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]N[6,6]C[6]C)	108.4690	0.000	1	108.4690	0.000	1	111.8637	6.827	4	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(NN)(H)	C[6](C[6]N[6,6]HN)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]N)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(NN)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]N[6,6]HN)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]N[6,6]C[6]N)	109.2745	0.500	2	109.2745	0.250	2	109.2745	0.250	2	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]N[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]O)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]N[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]N[6,6]C[6]O)	109.4597	0.408	3	109.4597	0.166	3	109.4597	0.166	3	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	N[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]N[6,6a]HO)(C[6]O[6]CH)(H)2	H(C[6]N[6,6a]C[6]O)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]N[6,6a]HO)(C[6]O[6]CH)(H)2{2|C<3>}	H(C[6]N[6,6a]C[6]O)	107.0640	0.000	1	107.0640	0.000	1	107.0640	0.000	1	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]HO)(H)2	H(C[6]C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(OC)(H){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]HO)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]O)	108.2150	0.000	1	108.2150	0.000	1	108.7033	0.191	3	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]HO)(H)2	H(C[6]C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(OH)(H){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]HO)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]O)	108.9475	0.156	2	108.9475	0.024	2	108.7033	0.191	3	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HO)(H)2	H(C[6]C[6]N[6]O)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]HO)(H)2{3|C<3>}	H(C[6]C[6]N[6]O)	108.9420	0.000	1	108.9420	0.000	1	109.3210	0.138	4	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(H)2	H(C[6]C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(OH)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(H)2{5|C<3>}	H(C[6]C[6]N[6]O)	109.1050	0.000	1	109.1050	0.000	1	109.3210	0.138	4	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(OO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HO)(H)2	H(C[6]C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(OO)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]O)	109.6185	0.217	2	109.6185	0.047	2	109.3210	0.138	4	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	N[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H)	C[6](C[6]N[6a]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[6a]C[6]O[6])	C[6](N[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]N[6a]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]N[6a]C[6]O[6])	109.1430	0.000	1	109.1430	0.000	1	109.3835	0.177	6	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	N[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]N[6a]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[6a]C[6]O[6])	C[6](N[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,5|H<1>}	C[6](C[6]N[6a]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]N[6a]C[6]O[6])	109.5020	0.000	1	109.5528	0.175	4	109.3835	0.177	6	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	N[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]N[6a]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[6a]C[6]O[6])	C[6](N[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]N[6a]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]N[6a]C[6]O[6])	109.5697	0.510	3	109.5528	0.175	4	109.3835	0.177	6	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:1:1:	4:	N[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6a]C[6a]N[6a])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]N[6a]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[6a]C[6]O[6])	C[6](N[6a]C[6a]N[6a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]N[6a]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]N[6a]C[6]O[6])	108.9470	0.000	1	108.9470	0.000	1	109.3835	0.177	6	108.6671	2.361	332	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[3]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[3]C[3]N[3])(C[6]C[6]HO)(O[6]Si[6])(H)	C[6](C[6]C[3]O[6]H)(C[6]O[6]HH)(OC)(H)	H(C[6]C[3]C[6]O[6])	C[6](C[3]C[3]N[3])(C[6]C[6]HO)(O[6]Si[6])(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[3]O[6]H)(C[6]O[6]HH)(OC)(H){1|Si<4>,1|C<4>,1|N<2>}	H(C[6]C[3]C[6]O[6])	108.0520	0.000	2	108.0520	0.000	2	108.0520	0.000	2	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]ClH)(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(OH)(H){1|Cl<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]ClH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]C[6]O)	108.8240	0.000	1	108.8240	0.000	1	108.8240	0.000	1	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HO)(OC)(H)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HO)(OC)(H){1|C<4>,3|C<3>}	H(C[6]C[5a,6]C[6]O)	108.6575	0.190	2	108.6575	0.036	2	108.7434	1.142	12	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]SiH)(OH)(H)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HO)(OH)(H){1|Si<4>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]SiH)(OH)(H){1|C<4>,3|C<3>}	H(C[6]C[5a,6]C[6]O)	107.4240	0.000	1	107.4240	0.000	1	108.7434	1.142	12	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(OC)(H)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]O)	110.2430	0.000	1	110.2430	0.000	1	108.7434	1.142	12	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(OH)(H)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]O)	109.1960	0.000	1	109.1960	0.000	1	108.7434	1.142	12	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OC)(H)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[5a,6]C[6]O)	109.2848	1.000	4	109.2848	1.000	4	108.7434	1.142	12	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OH)(H)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[5a,6]C[6]O)	106.8910	0.000	1	106.8910	0.000	1	108.7434	1.142	12	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OH)(H)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|N<2>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[5a,6]C[6]O)	108.3565	0.643	2	108.3565	0.413	2	108.7434	1.142	12	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HO)(OH)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	107.5190	0.000	1	107.5190	0.000	1	108.9636	0.831	5	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OC)(H){3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	109.8840	0.000	1	109.8840	0.000	1	108.9636	0.831	5	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	108.6930	0.000	1	108.6930	0.000	1	108.9636	0.831	5	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(OSi)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,5|C<4>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(OSi)(H){1|C<3>,1|C<4>}	H(C[6]C[6,6]C[6]O)	109.3610	0.000	2	109.3610	0.000	2	108.9636	0.831	5	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CN)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(NN)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CN)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(NN)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	107.5400	0.000	1	107.5400	0.000	1	107.5400	0.000	1	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NN)(H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(OH)(H)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(OH)(H){2|C<3>}	H(C[6]C[6,6a]C[6]N)	110.1510	0.000	1	110.1510	0.000	1	110.1510	0.000	1	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HO)(OH)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6,6a]HO)(OH)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HO)(OH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6,6a]HO)(OH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	107.5390	0.000	1	107.5390	0.000	1	107.5390	0.000	1	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HO)(OH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HO)(OC)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HO)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HO)(OC)(H){5|C<3>}	H(C[6]C[6,6a]C[6]O)	107.7310	0.000	1	107.7310	0.000	1	107.7310	0.000	1	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]HO)(OC)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(OH)(H){2|C<3>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]HO)(OC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]O)	107.4500	0.000	1	107.4500	0.000	1	107.5410	0.017	2	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6a]HO)(OH)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(OH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6a]HO)(OH)(H){1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6,6a]C[6]O)	107.6320	0.000	1	107.6320	0.000	1	107.5410	0.017	2	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6a]HO)(C[6]N[6]CH)(OH)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OC)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]N[6]CH)(OH)(H){3|C<3>}	H(C[6]C[6,6a]C[6]O)	108.1530	0.000	1	108.1530	0.000	1	108.8278	0.366	4	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(OH)(H){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]O)	108.8075	0.363	2	108.8075	0.132	2	108.8278	0.366	4	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6a]HO)(C[6]O[6]CC)(OC)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(OC)(H){2|C<3>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6a]HO)(C[6]O[6]CC)(OC)(H){2|C<3>}	H(C[6]C[6,6a]C[6]O)	109.5430	0.000	1	109.5430	0.000	1	108.8278	0.366	4	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(OH)(H)	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]HO)(SC[6a])(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]HO)(SC[6a])(H){6|C<3>}	H(C[6]C[6,6a]C[6]O)	108.7565	0.627	2	108.7565	0.393	2	108.7565	0.393	2	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[6]-3:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(NN)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	H(C[6]C[6]2N)	107.1740	0.000	1	107.4490	0.151	2	107.4490	0.151	2	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[6]-3:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(NN)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<4>}	H(C[6]C[6]2N)	107.7240	0.000	1	107.4490	0.151	2	107.4490	0.151	2	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(OC)(H){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2O)	110.4500	0.000	1	110.4500	0.000	1	108.6532	2.410	21	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	111.4990	0.000	1	112.1055	0.736	2	108.6532	2.410	21	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2O)	112.7120	0.000	1	112.1055	0.736	2	108.6532	2.410	21	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OC[6a])(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OC[6a])(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2O)	109.7490	0.000	1	109.7490	0.000	1	108.6532	2.410	21	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2O)	110.4490	0.000	1	110.4490	0.000	1	108.6532	2.410	21	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2O)	108.5510	0.243	2	108.5510	0.059	2	108.6532	2.410	21	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OSi)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OSi)(H){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2O)	107.3510	0.000	1	107.3510	0.000	1	108.6532	2.410	21	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2O)	107.2205	0.367	4	107.2205	0.135	4	108.6532	2.410	21	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2O)	107.8340	0.000	1	107.8340	0.000	1	108.6532	2.410	21	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2O)	108.0142	0.684	6	108.0142	0.468	6	108.6532	2.410	21	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6])(C[6]C[6]HO)(OH)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|O<1>,2|C<3>}	H(C[6]C[6]2O)	108.6110	0.000	1	108.6110	0.000	1	108.6532	2.410	21	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	H(C[6]C[6]2O)	108.9930	0.000	1	108.9930	0.000	1	108.6532	2.410	21	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]CH)(N[6]C[6])(H)	C[6](C[6]C[6a]N[6]H)(CC[6a]HN)(O[6]C[6])(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]CH)(N[6]C[6])(H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(CC[6a]HN)(O[6]C[6])(H){1|O<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.2890	0.000	1	107.2890	0.000	1	107.2890	0.000	1	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HO)(O[6]C[6])(H){2|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6a]C[6]O[6])	108.4710	0.000	1	108.4710	0.000	1	108.7657	0.049	7	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H){2|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6a]C[6]O[6])	108.7825	0.071	2	108.7825	0.005	2	108.7657	0.049	7	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6a]C[6]O[6])	108.7265	0.316	2	108.8450	0.092	3	108.7657	0.049	7	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	109.0820	0.000	1	108.8450	0.092	3	108.7657	0.049	7	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]N[6]HH)(OH)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]N[6]HH)(OH)(H){4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.7890	0.000	1	108.7890	0.000	1	108.7657	0.049	7	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(SC[6a])(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(SC[6a])(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	108.3640	0.000	1	108.3640	0.000	1	108.3640	0.000	1	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	N[5,6]-3:C[6]-4:C-2:H-1:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6,6]CH)(CN)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]N[5,6]CH)(CN)(H)	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6,6]CH)(CN)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]N[5,6]CH)(CN)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]N[5,6]C[6]C)	108.1590	0.000	1	108.1590	0.000	1	108.1590	0.000	1	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	N[5]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]N[5]O[6])	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HO)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]N[5]O[6])	108.4507	0.393	3	108.4507	0.155	3	108.4507	0.155	3	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6]N[5a]C[6]O[6])	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]N[5a]C[6]O[6])	108.2900	0.082	2	108.2900	0.007	2	109.0777	0.781	17	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]N[5a]C[6]O[6])	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>,4|C<3>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]N[5a]C[6]O[6])	107.2330	0.000	1	107.2330	0.000	1	109.0777	0.781	17	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[5a]C[5a,6a]N[5a])(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6]N[5a]C[6]O[6])	C[6](N[5a]C[5a,6a]N[5a])(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|N<2>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[6]N[5a]C[6]O[6])	109.9760	0.000	1	109.9760	0.000	1	109.0777	0.781	17	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6]N[5a]C[6]O[6])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[6]N[5a]C[6]O[6])	109.9050	0.418	4	109.9050	0.175	4	109.0777	0.781	17	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]N[5a]C[6]O[6])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[6]N[5a]C[6]O[6])	108.9987	0.783	7	108.9987	0.613	7	109.0777	0.781	17	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:1:	4:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[5a]C[5a]O[5a])(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6]N[5a]C[6]O[6])	C[6](N[5a]C[5a]O[5a])(C[6]C[6]HO)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]N[5a]C[6]O[6])	108.9605	0.158	2	108.9605	0.025	2	109.0777	0.781	17	108.6705	1.151	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:2:2:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]OO)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]FF)(OH)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]OO)(O[6]C[6])(H){2|F<1>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]FF)(OH)2{1|C<4>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	108.4750	0.000	1	108.4750	0.000	1	108.4750	0.000	1	108.4750	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:3:1:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(NOO)(H)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(OH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(NOO)(H){1|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6]O)	106.5110	0.000	1	106.5110	0.000	1	106.5110	0.000	1	108.1873	2.109	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:3:1:	4:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6a]C[6]H)(O[6]C[6,6a])(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[5a]O[6]H)(C[6a]C[6a]2)(H)	H(C[6]C[5a]C[6]O[6])	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6a]C[6]H)(O[6]C[6,6a])(H){1|N<3>,2|H<1>,7|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[5a]O[6]H)(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	H(C[6]C[5a]C[6]O[6])	109.4460	0.000	1	109.4460	0.000	1	109.0517	0.137	3	108.1873	2.109	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:3:1:	4:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(O[6]C[6,6a])(H)	C[6](C[6]C[5a]O[6]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H)	H(C[6]C[5a]C[6]O[6])	C[6](C[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(O[6]C[6,6a])(H){1|C<4>,2|H<1>,7|C<3>}	C[6](C[6]C[5a]O[6]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,5|C<3>}	H(C[6]C[5a]C[6]O[6])	108.8545	0.200	2	108.8545	0.040	2	109.0517	0.137	3	108.1873	2.109	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(CC)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CC[6a]C)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(CC)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CC[6a]C)(H){2|C<3>}	H(C[6]C[6,6a]C[6]C)	108.0643	0.477	3	108.0643	0.227	3	108.0643	0.227	3	108.1873	2.109	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:Cl-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(OC)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(COO)(Cl)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(COO)(Cl){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]O)	110.4580	0.000	1	110.4580	0.000	1	110.4580	0.000	1	108.1873	2.109	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:F-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CF)(OH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HO)(COO)(F)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CF)(OH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HO)(COO)(F){1|S<4>,4|C<3>}	H(C[6]C[6,6a]C[6]O)	108.6630	0.000	1	108.6630	0.000	1	108.6630	0.000	1	108.1873	2.109	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[5]N[6]H)(C[6]C[6,6a]HO)(COO)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6]H)(C[6]C[6,6a]HO)(COO)(H){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]O)	107.3270	0.000	1	107.3270	0.000	1	109.0000	1.369	11	108.1873	2.109	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[5a]S[6]C)(C[6]C[6,6a]HO)(CC[6a]O)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[6](C[6]C[5a]S[6]C)(C[6]C[6,6a]HO)(CC[6a]O)(H){4|C<3>}	H(C[6]C[6,6a]C[6]O)	109.4455	0.095	2	109.4455	0.009	2	109.0000	1.369	11	108.1873	2.109	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CC)(CCH)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]CC)(CCH)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]O)	110.1607	1.197	3	110.1607	1.433	3	109.0000	1.369	11	108.1873	2.109	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CC[6a]O)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CC[6a]O)(H){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]O)	109.1320	0.000	1	109.1320	0.000	1	109.0000	1.369	11	108.1873	2.109	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]N[6]HH)(CC[6a]C)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]N[6]HH)(CC[6a]C)(H){1|S<4>,2|C<3>}	H(C[6]C[6,6a]C[6]O)	108.2660	0.000	1	108.2660	0.000	1	109.0000	1.369	11	108.1873	2.109	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(CN[5]O)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|S<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(CN[5]O)(H){4|C<3>}	H(C[6]C[6,6a]C[6]O)	108.1320	1.178	2	108.1320	1.388	2	109.0000	1.369	11	108.1873	2.109	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]O[6]HH)(CCC)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(OH)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]O[6]HH)(CCC)(H){2|C<3>}	H(C[6]C[6,6a]C[6]O)	108.6380	0.000	1	108.6380	0.000	1	109.0000	1.369	11	108.1873	2.109	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]2H)(C[6]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(OH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]2H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]O)	107.6310	0.000	1	107.6310	0.000	1	107.6310	0.000	1	108.1873	2.109	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:Br-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrN)(OH)(H)	C[6](C[6]C[5]O[6]H)(C[6]C[6,6a]HO)(NOO)(Br)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrN)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5]O[6]H)(C[6]C[6,6a]HO)(NOO)(Br){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]O)	109.1900	0.000	1	109.1900	0.000	1	109.1900	0.000	1	108.1873	2.109	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(NOO)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(NOO)(H){4|C<3>}	H(C[6]C[6,6a]C[6]O)	108.3440	1.124	2	107.3270	2.476	4	107.3270	2.476	4	108.1873	2.109	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(NOO)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H){1|S<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(NOO)(H){4|C<3>}	H(C[6]C[6,6a]C[6]O)	106.3100	1.424	2	107.3270	2.476	4	107.3270	2.476	4	108.1873	2.109	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6,6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(COO)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6,6])(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(COO)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]O[6])	107.7250	0.000	1	107.7250	0.000	1	108.7982	0.388	5	108.1873	2.109	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	108.8450	0.000	1	109.0345	0.072	2	108.7982	0.388	5	108.1873	2.109	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	109.2240	0.000	1	109.0345	0.072	2	108.7982	0.388	5	108.1873	2.109	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CNO)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CNO)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	108.9640	0.000	1	108.9640	0.000	1	108.7982	0.388	5	108.1873	2.109	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(COO)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	109.2330	0.000	1	109.2330	0.000	1	108.7982	0.388	5	108.1873	2.109	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6a]C[6]H)(O[6]C[6,6a])(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6a]C[6]H)(O[6]C[6,6a])(H){1|H<1>,1|O<2>,8|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	H(C[6]C[6a]C[6]O[6])	107.6187	0.570	3	107.6187	0.325	3	107.6187	0.325	3	108.1873	2.109	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(NOO)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	107.1175	0.224	2	107.1175	0.050	2	106.5232	4.183	6	108.1873	2.109	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H){1|C<4>,2|C<3>}	H(C[6]C[6a]C[6]O[6])	102.3860	0.000	1	106.2260	6.602	4	106.5232	4.183	6	108.1873	2.109	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H){1|C<4>,2|C<3>}	H(C[6]C[6a]C[6]O[6])	107.5060	0.269	3	106.2260	6.602	4	106.5232	4.183	6	108.1873	2.109	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(S[6]C[6])(H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6]CC)(CC[6a]O)(H)	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(S[6]C[6])(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6]CC)(CC[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6a]C[6]S[6])	106.9170	0.000	1	106.9170	0.000	1	107.5305	0.753	2	108.1873	2.109	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(S[6]C[6])(H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(S[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]S[6])	108.1440	0.000	1	108.1440	0.000	1	107.5305	0.753	2	108.1873	2.109	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:3:1:	4:	N[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(CCO)(H)	H(C[6]C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(OC)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(CCO)(H){5|C<3>}	H(C[6]C[6]N[6]O)	108.8960	0.000	1	108.8960	0.000	1	108.8960	0.000	1	108.1873	2.109	43	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:3:2:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(CC[6a]O)(CN)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CC)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(CC[6a]O)(CN){1|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6]O)	109.1360	0.000	1	109.1360	0.000	1	109.1360	0.000	1	107.5980	1.822	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:3:2:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6a]-3:N-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]N)(OH)(H)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6,6a]HO)(C[6a]C[6a]2)(NN)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]N)(OH)(H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6,6a]HO)(C[6a]C[6a]2)(NN){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]O)	106.2430	0.000	1	106.2430	0.000	1	106.2430	0.000	1	107.5980	1.822	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:3:2:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6a]-3:O-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]O)(OH)(H)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6,6a]HO)(C[6a]C[6a]2)(OH)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]O)(OH)(H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6,6a]HO)(C[6a]C[6a]2)(OH){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]O)	106.7170	0.000	1	106.7170	0.000	1	106.7170	0.000	1	107.5980	1.822	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:3:2:	4:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6])(H)	C[6](C[6]C[6a]N[6]H)2(CC[6a]O)(CN)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6])(H){1|N<3>,1|S<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)2(CC[6a]O)(CN){1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	108.2960	0.000	1	108.2960	0.000	1	108.2960	0.000	1	107.5980	1.822	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:3:3:	4:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CC)(O[6]C[6])(H)	C[6](C[6]C[5a]O[6]H)(C[6]C[6]HH)(COO)2	H(C[6]C[5a]C[6]O[6])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CC)(O[6]C[6])(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5a]O[6]H)(C[6]C[6]HH)(COO)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5a]C[6]O[6])	108.2660	0.000	1	108.2660	0.000	1	108.1555	0.024	2	108.1555	0.024	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:3:3:	4:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CC)(O[6]C[6])(H)	C[6](C[6]C[5a]O[6]H)(C[6]C[6]HH)(COO)2	H(C[6]C[5a]C[6]O[6])	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CC)(O[6]C[6])(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5a]O[6]H)(C[6]C[6]HH)(COO)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[5a]C[6]O[6])	108.0450	0.000	1	108.0450	0.000	1	108.1555	0.024	2	108.1555	0.024	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:1:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5]C[6]H)(OH)(H)	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[5a,6]HO)(C[6]C[6]HH)(H)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5]C[6]H)(OH)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[5a,6]HO)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6]O)	108.2810	0.000	1	108.2810	0.000	1	108.2810	0.000	1	108.3053	0.765	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CCCH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(OC)(H){1|C<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	109.0900	0.000	1	109.0900	0.000	1	108.7170	0.278	2	108.3053	0.765	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	108.3440	0.000	1	108.3440	0.000	1	108.7170	0.278	2	108.3053	0.765	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NS)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NS)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]N)	107.6660	0.000	1	107.6660	0.000	1	107.6660	0.000	1	108.3053	0.765	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]S[6])(H)	C[6](C[6]C[6,6a]N[6]H)(C[6]C[6]N[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]S[6])(H){1|N<4>,1|O<2>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[6](C[6]C[6,6a]N[6]H)(C[6]C[6]N[6]H)(C[6]C[6]HH)(H){1|S<4>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]N[6])	108.6550	0.000	1	108.6550	0.000	1	108.6550	0.000	1	108.3053	0.765	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(OH)(H)	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6,6a]HO)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(OH)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6,6a]HO)(C[6]C[6]HH)(H){2|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6]O)	108.0785	0.415	2	108.0785	0.172	2	108.0785	0.172	2	108.3053	0.765	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]BrH)(CH3)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]BrH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]O)	108.3375	0.146	2	108.3375	0.021	2	108.4574	0.545	5	108.3053	0.765	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CHHO)(H){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]O)	107.3560	0.000	1	107.3560	0.000	1	108.4574	0.545	5	108.3053	0.765	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CHOO)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CHOO)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]O)	109.0400	0.000	1	109.0400	0.000	1	108.4574	0.545	5	108.3053	0.765	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]O[6]HH)(CC[6a]HH)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6a]HO)(C[6]O[6]HH)(CC[6a]HH)(H){2|C<3>}	H(C[6]C[6,6a]C[6]O)	109.2160	0.000	1	109.2160	0.000	1	108.4574	0.545	5	108.3053	0.765	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(NH3)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(NH3)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]O)	108.4590	0.000	1	108.4590	0.000	1	108.4590	0.000	1	108.3053	0.765	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(PO3)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(PO3)(H){1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]O)	106.6530	0.000	1	106.6530	0.000	1	107.6125	1.841	2	108.3053	0.765	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(PC[6a]CO)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(PC[6a]CO)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]O)	108.5720	0.000	1	108.5720	0.000	1	107.6125	1.841	2	108.3053	0.765	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]O[6]CH)(SC[6a]OO)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]O[6]CH)(SC[6a]OO)(H){2|C<3>}	H(C[6]C[6,6a]C[6]O)	107.5290	0.047	2	107.5290	0.002	2	107.5290	0.002	2	108.3053	0.765	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(OC)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2O)	109.6460	0.467	2	109.6460	0.218	2	108.8112	0.839	5	108.3053	0.765	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2O)	108.9360	0.000	1	108.9360	0.000	1	108.8112	0.839	5	108.3053	0.765	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HO)(CH3)(H){1|O<1>,3|C<4>}	H(C[6]C[6]2O)	107.9140	0.346	2	107.9140	0.120	2	108.8112	0.839	5	108.3053	0.765	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6])(C[6]C[6]CH)(O[6]C[6])(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O[6])	C[6](C[6]C[5,6]C[6])(C[6]C[6]CH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2O[6])	108.1510	0.327	2	108.1510	0.107	2	108.1510	0.107	2	108.3053	0.765	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[5,6])(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]HH)(CCCH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[5,6])(H){1|N<3>,1|S<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]HH)(CCCH)(H){4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.8430	0.000	1	106.8430	0.000	1	107.5930	1.125	2	108.3053	0.765	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[5,6])(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]HN)(CH3)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[5,6])(H){1|S<2>,2|C<3>,2|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]HN)(CH3)(H){4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.3430	0.000	1	108.3430	0.000	1	107.5930	1.125	2	108.3053	0.765	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]O[6]H)(CH3)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]O[6]H)(CH3)(H){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.2730	0.000	2	108.2730	0.000	2	108.6850	0.245	20	108.3053	0.765	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]O[6]H)(CH3)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]O[6]H)(CH3)(H){1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	108.7705	0.015	2	108.7705	0.000	2	108.6850	0.245	20	108.3053	0.765	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CCCN)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CCCN)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	108.3210	0.000	1	108.3210	0.000	1	108.6850	0.245	20	108.3053	0.765	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CF3)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CF3)(H){2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	108.5120	0.180	2	108.5120	0.032	2	108.6850	0.245	20	108.3053	0.765	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]O[6])	109.1762	0.120	4	109.1762	0.014	4	108.6850	0.245	20	108.3053	0.765	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	108.1370	0.000	1	108.3887	0.401	6	108.6850	0.245	20	108.3053	0.765	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]O[6])	108.7335	0.254	4	108.3887	0.401	6	108.6850	0.245	20	108.3053	0.765	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]O[6])	107.2610	0.000	1	108.3887	0.401	6	108.6850	0.245	20	108.3053	0.765	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]N[6]HH)(CBrHH)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|N<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]N[6]HH)(CBrHH)(H){3|C<3>}	H(C[6]C[6a]C[6]O[6])	109.2810	0.000	1	109.2810	0.000	1	108.6850	0.245	20	108.3053	0.765	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]N[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CC)(CH3)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]N[6])(H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CC)(CH3)(H){1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	108.9750	0.098	2	108.9750	0.010	2	108.6850	0.245	20	108.3053	0.765	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(NH3)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H){1|F<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(NH3)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6a]C[6]O[6])	109.8150	0.000	1	109.8150	0.000	1	109.8150	0.000	1	108.3053	0.765	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(O[6]C[6,6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(SC[6a]OO)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(O[6]C[6,6])(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(SC[6a]OO)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]O[6])	106.6887	0.356	4	106.6887	0.127	4	106.6062	0.129	5	108.3053	0.765	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(SC[6a]OO)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(O[6]C[6])(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(SC[6a]OO)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	106.2760	0.000	1	106.2760	0.000	1	106.6062	0.129	5	108.3053	0.765	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]P[6])(H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]CH)(CH3)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]P[6])(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(N[6]C[6]CH)(CH3)(H){1|P<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	108.8670	0.000	1	108.8670	0.000	1	108.8670	0.000	1	108.3053	0.765	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:2:	4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)(OH)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]O)	108.7460	0.017	4	108.7460	0.000	4	108.9277	0.169	7	108.6330	0.653	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:2:	4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(CH3)(OH)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(CH3)(OH){2|C<3>}	H(C[6]C[5,6]C[6]O)	109.1700	0.592	3	109.1700	0.351	3	108.9277	0.169	7	108.6330	0.653	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:2:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CO)(OC)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(OH){2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]O)	108.4620	0.000	1	108.4620	0.000	1	108.4620	0.000	1	108.6330	0.653	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:2:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(CN)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6])(C[6]C[6]CC)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(CN){2|C<3>,2|H<1>}	H(C[6]C[6]2O)	106.7410	0.000	1	106.7410	0.000	1	106.7410	0.000	1	108.6330	0.653	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:3:	4:	C[3x6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[3x6]C[3x6]2)(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[3x6]HO)(C[6]C[6]HH)(CH3)(CCH)	H(C[6]C[3x6]C[6]O)	C[6](C[3x6]C[3x6]2)(C[6]C[6]CC)(OH)(H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[3x6]HO)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[3x6]C[6]O)	109.6410	0.000	1	109.6410	0.000	1	109.6410	0.000	1	108.1942	1.127	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:3:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CCCH)(CCH)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CCCH)(CCH){1|C<3>,1|H<1>,2|O<2>}	H(C[6]C[5a,6]C[6]O)	109.3660	0.000	1	109.3660	0.000	1	109.3660	0.000	1	108.1942	1.127	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:3:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(CCH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(OC)(H){1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(CCH){2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]O)	109.2760	0.000	1	109.2760	0.000	1	107.9250	3.650	2	108.1942	1.127	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:3:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(CCH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(OH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	106.5740	0.000	1	106.5740	0.000	1	107.9250	3.650	2	108.1942	1.127	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:3:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6,6]-4:C-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6,6]C[6]3)(CH3)(CHO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(OH)(H){1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6a]HO)(C[6,6]C[6]3)(CH3)(CHO){2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6a]C[6]O)	108.0695	0.988	2	108.0695	0.976	2	108.0695	0.976	2	108.1942	1.127	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:3:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(CH3)(CCO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(CH3)(CCO){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]O)	107.1550	0.000	1	107.1550	0.000	1	107.1550	0.000	1	108.1942	1.127	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:3:	4:	C[6,6a]-3:C[6]-4:S-2:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(SC[6a])(H)	C[6](C[6]C[6,6a]HS)(C[6]O[6]CH)(CH3)(NOO)	H(C[6]C[6,6a]C[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(SC[6a])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HS)(C[6]O[6]CH)(CH3)(NOO){2|C<3>}	H(C[6]C[6,6a]C[6]S)	107.6315	0.216	2	107.6315	0.047	2	107.6315	0.047	2	108.1942	1.127	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)(CCH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)(CCH){1|C<4>,2|C<3>}	H(C[6]C[6a]C[6]O[6])	108.5280	0.000	1	108.5280	0.000	1	108.5280	0.000	1	108.1942	1.127	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:4:	4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CC)(CCHH)(CH3)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(OH)(H){1|C<3>,1|O<1>,4|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CC)(CCHH)(CH3){1|O<1>,2|C<3>}	H(C[6]C[5,6]C[6]O)	108.6130	0.000	1	108.6130	0.000	1	108.6130	0.000	1	108.4467	1.058	23	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:4:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(OC)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CH3)2	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(OC)(H){2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[5a,6]C[6]O)	110.5340	0.000	1	110.5340	0.000	1	110.1550	0.287	2	108.4467	1.058	23	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:4:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CH3)2	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(OH)(H){2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[5a,6]C[6]O)	109.7760	0.000	1	109.7760	0.000	1	110.1550	0.287	2	108.4467	1.058	23	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:4:	4:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]CC)(O[6]C[6])(H)	C[6](C[6]C[5a]O[6]H)(C[6]O[6]HH)(CH3)2	H(C[6]C[5a]C[6]O[6])	C[6](C[5a]N[5a]O[5a])(C[6]C[6]CC)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a]O[6]H)(C[6]O[6]HH)(CH3)2{1|C<4>,1|N<2>,1|O<2>}	H(C[6]C[5a]C[6]O[6])	108.2530	0.000	1	108.2530	0.000	1	108.2530	0.000	1	108.4467	1.058	23	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HO)(CH3)2	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(OH)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HO)(CH3)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]O)	106.4200	0.082	2	106.4200	0.007	2	106.4200	0.007	2	108.4467	1.058	23	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(CCHH)(CH3){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]O)	109.6387	1.105	3	109.6387	1.221	3	109.6387	1.221	3	108.4467	1.058	23	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2{1|P<4>,2|C<3>}	H(C[6]C[6a]C[6]O[6])	108.1085	0.364	2	108.2386	0.120	14	108.2386	0.120	14	108.4467	1.058	23	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|Cl<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2{1|P<4>,2|C<3>}	H(C[6]C[6a]C[6]O[6])	108.9030	0.000	1	108.2386	0.120	14	108.2386	0.120	14	108.4467	1.058	23	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2{1|P<4>,2|C<3>}	H(C[6]C[6a]C[6]O[6])	108.1246	0.245	8	108.2386	0.120	14	108.2386	0.120	14	108.4467	1.058	23	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|N<3>,1|O<2>,1|S<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2{1|P<4>,2|C<3>}	H(C[6]C[6a]C[6]O[6])	108.1190	0.000	1	108.2386	0.120	14	108.2386	0.120	14	108.4467	1.058	23	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|O<1>,2|C<3>,2|O<2>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2{1|P<4>,2|C<3>}	H(C[6]C[6a]C[6]O[6])	108.2210	0.000	1	108.2386	0.120	14	108.2386	0.120	14	108.4467	1.058	23	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:2:1:	4:4:4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){2|Cl<1>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2{1|P<4>,2|C<3>}	H(C[6]C[6a]C[6]O[6])	108.8840	0.000	1	108.2386	0.120	14	108.2386	0.120	14	108.4467	1.058	23	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	2:4:1:1:	4:	C[6]-3:C[6]-4:N-3:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(NHS)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(NHS)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2N)	108.7600	0.000	1	108.7600	0.000	1	107.4020	3.688	2	107.4877	1.866	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	2:4:1:1:	4:	C[6]-3:C[6]-4:N-3:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6a]O)(C[6]O[6]HH)(NCH)(H)	C[6](O[6]B[6,6a])(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]N[6,6a]O)(C[6]O[6]HH)(NCH)(H){1|B<3>,1|N<2>}	C[6](O[6]B[6,6a])(C[6]C[6]HN)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2N)	106.0440	0.000	1	106.0440	0.000	1	107.4020	3.688	2	107.4877	1.866	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	2:4:1:1:	4:	N[6]-3:C[6]-4:C-3:H-1:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]S[6]HH)(COO)(H)	C[6](S[6]C[6,6a])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]H)(C[6]S[6]HH)(COO)(H){2|C<3>}	C[6](S[6]C[6,6a])(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]N[6]C)	107.6590	0.000	1	107.6590	0.000	1	107.6590	0.000	1	107.4877	1.866	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:3:4:1:	4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]H)(H){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(H){1|C<4>,3|H<1>,7|C<3>}	H(C[6]C[6,6a]C[6]2)	108.9210	0.000	1	109.0390	0.028	2	109.0390	0.028	2	109.0390	0.028	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:3:4:1:	4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]H)(H){1|H<1>,2|C<4>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(H){1|C<4>,3|H<1>,7|C<3>}	H(C[6]C[6,6a]C[6]2)	109.1570	0.000	1	109.0390	0.028	2	109.0390	0.028	2	109.0390	0.028	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:3:4:2:	4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2C)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(CN)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(CN){1|C<4>,3|H<1>,7|C<3>}	H(C[6]C[6,6a]C[6]2)	108.3180	0.000	1	108.3180	0.000	1	108.3180	0.000	1	108.3180	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:3:4:4:	4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2C)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(CHHN)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2C)(C[6]C[6]H)(H){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(CHHN){1|C<4>,3|H<1>,7|C<3>}	H(C[6]C[6,6a]C[6]2)	108.3090	0.000	1	108.3090	0.000	1	108.3090	0.000	1	108.3090	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:1:1:	4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(COO)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[5a,6]CH)(H)2	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(COO)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[5a,6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]C[5a,6]C[6]C)	108.6360	0.000	1	108.6360	0.000	1	108.6360	0.000	1	107.3777	0.802	30	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:1:1:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]HH)(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(H)2	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]HH)(N[6]C[6]H)(H){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(H)2{1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[5a]C[6]N[6])	107.9330	0.000	1	107.5035	0.338	6	107.5035	0.338	6	107.3777	0.802	30	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:1:1:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]HH)(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(H)2	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]HH)(N[6]C[6]H)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(H)2{1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[5a]C[6]N[6])	107.4176	0.606	5	107.5035	0.338	6	107.5035	0.338	6	107.3777	0.802	30	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:1:1:	4:	C[6,6]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6a]HH)(NCH)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6,6]HN)(H)2	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6a]HH)(NCH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6,6]HN)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]N)	106.2475	0.253	4	106.2475	0.064	4	106.2475	0.064	4	107.3777	0.802	30	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CCH)(H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6,6a]CH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CCH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6,6a]CH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	107.2600	0.000	1	107.2600	0.000	1	107.2600	0.000	1	107.3777	0.802	30	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(COO)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]CH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(COO)(H){1|N<3>,1|O<2>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]CH)(H)2{1|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	107.5220	0.000	1	107.5220	0.000	1	107.5220	0.000	1	107.3777	0.802	30	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H)2{1|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.9140	0.000	1	106.9140	0.000	1	106.5633	0.429	3	107.3777	0.802	30	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H)2{1|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.3880	0.820	2	106.3880	0.673	2	106.5633	0.429	3	107.3777	0.802	30	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:1:1:	4:	C[6]-3:C[6]-4:C-3:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CNO)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CNO)(H){1|C<3>,2|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.3110	0.201	2	107.3110	0.040	2	107.3110	0.040	2	107.3777	0.802	30	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(COO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]CH)(H)2	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(COO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]N[5,6]C[6]C)	107.4020	0.000	1	107.4020	0.000	1	107.4020	0.000	1	107.3777	0.802	30	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H){1|Rh<6>,1|N<3>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H)2{1|H<1>,6|C<3>}	H(C[6]N[5,6]C[6a]C[6])	107.9870	0.551	4	107.9870	0.303	4	107.9870	0.303	4	107.3777	0.802	30	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:1:1:	4:	N[5a,6]-3:C[6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(COO)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]N[5a,6]CH)(H)2	H(C[6]N[5a,6]C[6]C)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(COO)(H){1|N<2>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]N[5a,6]CH)(H)2{1|C<4>,4|C<3>}	H(C[6]N[5a,6]C[6]C)	106.6460	0.000	1	106.6460	0.000	1	106.6460	0.000	1	107.3777	0.802	30	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:C-3:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(COO)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6,6]CH)(H)2	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(COO)(H){1|O<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6,6]CH)(H)2{1|C<4>,1|N<2>,3|C<3>}	H(C[6]N[6,6]C[6]C)	109.8070	0.000	1	109.8070	0.000	1	109.8070	0.000	1	107.3777	0.802	30	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(COO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]CH)(H)2	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(COO)(H){1|O<1>,2|C<3>,3|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]N[6,6]C[6]C)	108.0720	0.000	1	108.0720	0.000	1	108.0720	0.000	1	107.3777	0.802	30	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]N)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6]N)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[6]C[6]N[6]C)	108.7420	0.000	1	108.7420	0.000	1	108.7420	0.000	1	107.3777	0.802	30	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:C-3:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]N[6,6]C)(C[6]N[6]HH)(CCC)(H)	C[6](N[6]C[6,6]S)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]N[6,6]C)(C[6]N[6]HH)(CCC)(H){1|S<4>,2|C<4>}	C[6](N[6]C[6,6]S)(C[6]N[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6]C)	107.0340	0.100	2	107.0340	0.010	2	107.0340	0.010	2	107.3777	0.802	30	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:C[6a]-3:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6a]N[6]H)(H)2{2|C<4>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	106.9050	0.000	1	106.9050	0.000	1	106.9050	0.000	1	107.3777	0.802	30	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:2:1:	4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]HO)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(OH)(H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]HO)(C[6]C[6]H)(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(OH)(H){2|H<1>,5|C<3>}	H(C[6]C[5a]C[6]2)	108.3840	0.000	1	108.3840	0.000	1	108.3840	0.000	1	108.1258	0.662	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:2:1:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(OH)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(CCH)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(OH)(H){1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	108.3320	0.000	1	108.3320	0.000	1	108.3320	0.000	1	108.1258	0.662	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:2:1:	4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[6]N[6]S)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[6]C[6])(H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[6]N[6]S)(H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[6]C[6])(H){1|C<4>,1|H<1>,1|N<2>,2|S<2>,4|C<3>}	H(C[6]C[6,6a]C[6]2)	109.2240	0.000	1	109.2240	0.000	1	109.2240	0.000	1	108.1258	0.662	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:2:1:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(NCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(OH)(H)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(NCH)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(OH)(H){1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]N)	107.1070	0.000	1	107.1070	0.000	1	107.1070	0.000	1	108.1258	0.662	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:2:1:	4:	N[5a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6,6a]HO)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a]C[6]H)(OH)(H)	H(C[6]N[5a]C[6]2)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6,6a]HO)(C[6]C[6]H)(H){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a]C[6]H)(OH)(H){2|H<1>,5|C<3>}	H(C[6]N[5a]C[6]2)	107.5820	0.000	1	107.5820	0.000	1	107.5820	0.000	1	108.1258	0.662	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:3:1:	4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]CH)(C[6]O[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CCH)(H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]CH)(C[6]O[6]O)(H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CCH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(C[6]C[5a]C[6]2)	106.5570	0.000	1	106.5570	0.000	1	106.5570	0.000	1	107.0944	6.912	42	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:3:1:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(CN[5]O)(H)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]O[5a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(CN[5]O)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[5a]C[6]N[6])	108.2015	0.136	2	108.2015	0.019	2	108.2015	0.019	2	107.0944	6.912	42	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:3:1:	4:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]N[6]H)(N[6]B[5a]C[6])(H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]N[6]H)(N[6]B[5a]C[6])(H)	H(C[6]C[6,6]C[6]N[6])	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]N[6]H)(N[6]B[5a]C[6])(H){1|B<3>,2|C<4>,3|C<3>,3|H<1>,3|N<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]N[6]H)(N[6]B[5a]C[6])(H){1|B<3>,2|C<4>,3|C<3>,3|H<1>,3|N<3>}	H(C[6]C[6,6]C[6]N[6])	106.4830	0.080	4	106.4830	0.006	4	106.4830	0.006	4	107.0944	6.912	42	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:3:1:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CCH)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]CH)(C[6]O[6]O)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CCH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]CH)(C[6]O[6]O)(H){1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	108.7810	0.000	1	108.7810	0.000	1	108.7810	0.000	1	107.0944	6.912	42	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:3:1:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(CN[5]O)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(CN[5]O)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H){1|H<1>,1|O<1>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	109.1480	0.546	2	109.1480	0.298	2	109.1480	0.298	2	107.0944	6.912	42	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:3:1:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H){1|H<1>,1|O<1>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	107.8700	0.561	2	107.8700	0.315	2	107.8700	0.315	2	107.0944	6.912	42	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:3:1:	4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]C)(H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]C)(H){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]C)(H){1|C<4>,2|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6]2)	106.9485	0.165	4	106.9485	0.027	4	105.4468	22.982	10	107.0944	6.912	42	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:3:1:	4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[5,6]H)(H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[5,6]H)(H){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[5,6]H)(H){2|H<1>,7|C<3>}	H(C[6]C[6,6a]C[6]2)	107.6855	0.071	2	107.6855	0.005	2	105.4468	22.982	10	107.0944	6.912	42	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:3:1:	4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6,6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6,6a]2)(H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6,6a]2)(H){10|C<3>,1|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6,6a]2)(H){10|C<3>,1|H<1>}	H(C[6]C[6,6a]C[6]2)	96.5879	2.136	2	96.5879	4.564	2	105.4468	22.982	10	107.0944	6.912	42	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:3:1:	4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]O)(H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]O)(H){1|C<2>,1|H<1>,1|O<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]O)(H){1|C<2>,1|H<1>,1|O<1>,6|C<3>}	H(C[6]C[6,6a]C[6]2)	109.0635	0.156	2	109.0635	0.024	2	105.4468	22.982	10	107.0944	6.912	42	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:3:1:	4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[6]N[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[6]C[6]H)(H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[6]N[6]O)(H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|O<1>,4|C<3>}	H(C[6]C[6,6a]C[6]2)	108.6650	0.000	1	108.6650	0.000	1	108.6650	0.000	1	107.0944	6.912	42	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:3:1:	4:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[6]N[6]O)(H)	H(C[6]C[6,6a]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[6]N[6]O)(H){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]N[6])	107.9720	0.000	1	107.9720	0.000	1	107.9720	0.000	1	107.0944	6.912	42	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:3:1:	4:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]B[5]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]B[5]C[6])(H)	H(C[6]C[6,6a]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]B[5]C[6])(H){1|B<3>,2|H<1>,2|O<2>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]B[5]C[6])(H){1|B<3>,2|H<1>,2|O<2>,6|C<3>}	H(C[6]C[6,6a]C[6]N[6])	108.8230	0.451	2	108.8230	0.204	2	107.3817	2.079	11	107.0944	6.912	42	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:3:1:	4:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H)	H(C[6]C[6,6a]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,5|C<3>}	H(C[6]C[6,6a]C[6]N[6])	107.1630	0.576	2	107.6646	0.447	5	107.3817	2.079	11	107.0944	6.912	42	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:3:1:	4:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H)	H(C[6]C[6,6a]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H){2|H<1>,7|C<3>}	H(C[6]C[6,6a]C[6]N[6])	108.5990	0.000	1	107.6646	0.447	5	107.3817	2.079	11	107.0944	6.912	42	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:3:1:	4:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H)	H(C[6]C[6,6a]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H){3|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H){3|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]N[6])	107.6990	0.281	2	107.6646	0.447	5	107.3817	2.079	11	107.0944	6.912	42	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:3:1:	4:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]H)(H)	H(C[6]C[6,6a]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]H)(H){2|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]H)(H){2|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]N[6])	105.1095	1.964	2	105.1095	3.856	2	107.3817	2.079	11	107.0944	6.912	42	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:3:1:	4:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6a]C[6])(H)	H(C[6]C[6,6a]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6a]C[6])(H){2|C<4>,3|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6a]C[6])(H){2|C<4>,3|H<1>,7|C<3>}	H(C[6]C[6,6a]C[6]N[6])	107.5055	0.172	2	107.5055	0.030	2	107.3817	2.079	11	107.0944	6.912	42	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:3:1:	4:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(COO)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(COO)(H){5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(COO)(H){5|C<3>}	H(C[6]C[6]2C)	108.2110	0.827	4	108.2110	0.684	4	108.2110	0.684	4	107.0944	6.912	42	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.9895	0.159	2	106.9895	0.025	2	106.9895	0.025	2	107.0944	6.912	42	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:3:1:	4:	N[6]-3:C[6]-4:C[6]-3:H-1:	N[6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6]C[6a]Si[6])(C[6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]N[6]H)(C[6]C[6]H)(H)	H(C[6]C[6]2N[6])	C[6](N[6]C[6a]Si[6])(C[6]C[6]N[6]H)(C[6]C[6]H)(H){1|Cl<1>,1|Si<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]N[6]H)(C[6]C[6]H)(H){1|Cl<1>,1|Si<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6]2N[6])	107.1290	0.000	1	107.1290	0.000	1	107.1290	0.000	1	107.0944	6.912	42	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:4:1:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(CHHO)(H)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(CHHO)(H){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	H(C[6]C[5a]C[6]N[6])	107.5110	0.000	1	107.5110	0.000	1	107.5110	0.000	1	107.5110	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:4:2:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	N[5a,6]-3:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CO)(COO)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CH)(CH3)(OH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CO)(COO)(H){1|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CH)(CH3)(OH){1|N<2>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	107.7503	0.306	3	107.7503	0.094	3	107.7503	0.094	3	107.7503	0.094	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	3:4:4:4:	4:	N[6]-3:C[6]-4:C[6a]-3:H-1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6a]N[6]H)(CCHH)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6a]N[6]H)(CCHH)2{2|C<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	105.8310	0.000	1	105.8310	0.000	1	105.8310	0.000	1	105.8310	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:2:1:1:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5a]N[5a]2)(C[6]O[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[5a]N[6]H)(O[6]C[6])(H)2	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]N[5a]2)(C[6]O[6]HH)(N[6]C[6]H)(H){2|C<4>,2|H<1>,2|N<2>}	C[6](C[6]C[5a]N[6]H)(O[6]C[6])(H)2{1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(C[6]C[5a]C[6]N[6])	107.8860	0.000	1	107.8860	0.000	1	107.8860	0.000	1	108.2752	1.855	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.3040	0.000	1	107.9673	0.341	3	107.9673	0.341	3	108.2752	1.855	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2{3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	108.1930	0.000	1	107.9673	0.341	3	107.9673	0.341	3	108.2752	1.855	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.4050	0.000	1	107.9673	0.341	3	107.9673	0.341	3	108.2752	1.855	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	105.9635	0.042	2	107.6857	2.608	6	108.4165	2.516	17	108.2752	1.855	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.5380	0.000	1	107.6857	2.608	6	108.4165	2.516	17	108.2752	1.855	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]N[6])	108.6750	0.000	1	107.6857	2.608	6	108.4165	2.516	17	108.2752	1.855	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H){3|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.8210	0.000	1	107.6857	2.608	6	108.4165	2.516	17	108.2752	1.855	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H){3|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]N[6])	110.1530	0.000	1	107.6857	2.608	6	108.4165	2.516	17	108.2752	1.855	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	109.8220	0.158	2	109.6907	0.049	4	108.4165	2.516	17	108.2752	1.855	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	109.3950	0.000	1	109.6907	0.049	4	108.4165	2.516	17	108.2752	1.855	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6a]C[6]N[6])	109.7240	0.000	1	109.6907	0.049	4	108.4165	2.516	17	108.2752	1.855	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(O[6]P[6])(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H){1|P<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(O[6]P[6])(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	110.4290	0.000	1	110.7010	0.148	2	108.4165	2.516	17	108.2752	1.855	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(O[6]P[6])(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H){1|P<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(O[6]P[6])(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	110.9730	0.000	1	110.7010	0.148	2	108.4165	2.516	17	108.2752	1.855	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]O)(H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]O)(H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6a]C[6]N[6])	107.0060	0.310	3	107.0060	0.096	3	108.4165	2.516	17	108.2752	1.855	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]S)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{1|S<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.0880	0.000	1	108.0880	0.000	1	108.4165	2.516	17	108.2752	1.855	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]N[6]C)(H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]N[6]C)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6a]C[6]N[6])	107.6960	0.000	1	107.6960	0.000	1	108.4165	2.516	17	108.2752	1.855	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:2:1:1:	4:	N[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(CCH)(H)	C[6](C[6]N[5a,6]CH)(O[6]C[6])(H)2	H(C[6]N[5a,6]C[6]C)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(CCH)(H){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]N[5a,6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6]N[5a,6]C[6]C)	108.7045	0.568	2	108.7045	0.322	2	108.7045	0.322	2	108.2752	1.855	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:2:1:1:	4:	N[6,6]-3:C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]O[6]HH)(COO)(H)	C[6](C[6]N[6,6]CH)(O[6]C[6,6])(H)2	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[3x6]C[6])(C[6]O[6]HH)(COO)(H){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]N[6,6]CH)(O[6]C[6,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]N[6,6]C[6]C)	107.6200	0.000	1	107.6200	0.000	1	107.6200	0.000	1	108.2752	1.855	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]S)(C[6]O[6]HH)(CCC)(H)	C[6](C[6]N[6]CH)(O[6]C[6,6])(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6]S)(C[6]O[6]HH)(CCC)(H){1|H<1>,2|C<4>}	C[6](C[6]N[6]CH)(O[6]C[6,6])(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]N[6]C)	106.9830	0.000	1	106.9830	0.000	1	106.9830	0.000	1	108.2752	1.855	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:2:2:1:	4:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]O[6]HO)(COO)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]O[6]HO)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.9990	0.000	1	107.9990	0.000	1	107.9990	0.000	1	107.7965	0.082	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:2:2:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HO)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(OC)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HO)(N[6]C[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(OC)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	107.5940	0.000	1	107.5940	0.000	1	107.5940	0.000	1	107.7965	0.082	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:2:3:1:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CCC)(H)	C[6](C[6]C[6,6a]CH)(O[6]C[6])(COO)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CCC)(H){1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]CH)(O[6]C[6])(COO)(H){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	107.3645	0.207	2	107.3645	0.043	2	107.3645	0.043	2	107.3645	0.043	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:2:4:1:	4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]CH)(CCH)(H)	C[6](C[6]C[5a,6]CH)(O[6]C[6])(CCHO)(H)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]CH)(CCH)(H){1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]CH)(O[6]C[6])(CCHO)(H){2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]C)	109.5235	0.101	2	109.5235	0.010	2	109.5235	0.010	2	109.5235	0.010	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:2:4:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(CNO)(H)	C[6](C[6]C[6,6a]CH)(O[6]C[6])(CH3)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(CNO)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(O[6]C[6])(CH3)2{1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	108.5980	0.000	1	108.5980	0.000	1	108.5980	0.000	1	108.5980	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[5]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]S[5])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5]C[6]H)(C[6]O[6]O)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]S[5])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]O[6]O)(H)2{1|C<4>,1|S<2>,2|C<3>}	H(C[6]C[5]C[6]2)	108.0700	0.000	1	108.0700	0.000	1	108.0700	0.000	1	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[5]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:	C[6](C[5]C[5,6a]C[5])(C[6]C[6]FH)(N[6]C[6]C)(H)	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(F)(H)	H(C[6]C[5]C[6]N[6])	C[6](C[5]C[5,6a]C[5])(C[6]C[6]FH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(F)(H){2|C<4>,3|C<3>}	H(C[6]C[5]C[6]N[6])	107.3060	0.000	1	107.3060	0.000	1	107.3060	0.000	1	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[5]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5]C[5,6a]C[5])(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(H)2	H(C[6]C[5]C[6]N[6])	C[6](C[5]C[5,6a]C[5])(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(H)2{2|C<4>,3|C<3>}	H(C[6]C[5]C[6]N[6])	107.9200	0.000	1	107.9200	0.000	1	107.9200	0.000	1	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(COO)(H){1|N<3>,1|O<2>,3|C<3>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]O)(H)2{3|C<3>}	H(C[6]C[5a,6]C[6]C)	108.5330	0.000	1	108.5330	0.000	1	108.5330	0.000	1	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCC)(H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCC)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]C)	107.9270	0.000	1	107.9270	0.000	1	108.8107	0.694	3	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCH)(H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(H)2	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCH)(H){1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]C)	109.5820	0.000	1	109.5820	0.000	1	108.8107	0.694	3	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCH)(H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCH)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2{1|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]C)	108.9230	0.000	1	108.9230	0.000	1	108.8107	0.694	3	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(NCH)(H)	C[6](C[6]C[5a,6]HN)(N[6]S[6]C)(H)2	H(C[6]C[5a,6]C[6]N)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(NCH)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>,1|S<4>}	C[6](C[6]C[5a,6]HN)(N[6]S[6]C)(H)2{2|C<3>,2|O<1>}	H(C[6]C[5a,6]C[6]N)	107.1270	0.000	1	107.1270	0.000	1	107.1270	0.000	1	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]N[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]N[6]HH)(C[6]C[6]O)(H){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5a]C[6]2)	108.2440	0.000	1	108.6337	0.120	3	108.6337	0.120	3	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]N[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]N[6]HH)(C[6]C[6]O)(H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[5a]C[6]2)	108.8285	0.110	2	108.6337	0.120	3	108.6337	0.120	3	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5a]C[6]N[6])	107.4800	0.163	2	107.4800	0.026	2	107.9920	0.817	5	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5a]C[6]N[6])	109.1620	0.000	1	109.1620	0.000	1	107.9920	0.817	5	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]S)(H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,1|S<4>,2|C<3>}	H(C[6]C[5a]C[6]N[6])	107.1010	0.000	1	107.1010	0.000	1	107.9920	0.817	5	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[5a]C[6]N[6])	108.7370	0.000	1	108.7370	0.000	1	107.9920	0.817	5	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]N[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H)2	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a,6a]C[5a])(C[6]N[6]HH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[5a]C[6]N[6])	107.4410	0.000	1	107.4410	0.000	1	107.4410	0.000	1	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6,6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(CCO)(H)	C[6](C[6]C[6,6]CH)(C[6]O[6]C)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(CCO)(H){1|C<3>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]O[6]C)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6,6]C[6]C)	108.4560	0.000	1	108.4560	0.000	1	108.4560	0.000	1	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(H)2{2|C<3>}	H(C[6]C[6,6a]C[6]C)	108.5420	0.000	1	108.5420	0.000	1	108.5420	0.000	1	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)(H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]C)	107.7410	0.000	1	107.7355	0.000	2	107.7355	0.000	2	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)(H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	107.7300	0.000	1	107.7355	0.000	2	107.7355	0.000	2	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]N[6]HH)(CCH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6])(C[6]N[6]HH)(CCH)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2C)	106.4890	0.113	2	106.4890	0.013	2	106.7855	0.404	4	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CCC)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CCC)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2C)	106.4310	0.000	1	106.4310	0.000	1	106.7855	0.404	4	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CC[6a]O)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CC[6a]O)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.7330	0.000	1	107.7330	0.000	1	106.7855	0.404	4	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6]-3:C[6]-4:Si-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(SiCC)(H)	C[6](C[6]C[6]SiH)(N[6]C[6]S)(H)2	H(C[6]C[6]2Si)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(SiCC)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[6]C[6]SiH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2Si)	106.4280	0.000	1	106.4280	0.000	1	106.4280	0.000	1	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.1690	0.000	1	107.1690	0.000	1	107.6054	0.726	28	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2{1|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	107.2120	0.000	1	106.9312	0.135	5	107.6054	0.726	28	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2{1|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	106.5365	0.110	2	106.9312	0.135	5	107.6054	0.726	28	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2{1|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	107.1855	0.088	2	106.9312	0.135	5	107.6054	0.726	28	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|Br<1>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{1|C<4>,1|S<4>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.2067	0.407	3	107.5573	0.648	11	107.6054	0.726	28	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.1020	0.000	1	107.5573	0.648	11	107.6054	0.726	28	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{1|C<2>,1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.7900	0.195	2	107.5573	0.648	11	107.6054	0.726	28	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{1|C<2>,1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.3165	0.268	4	107.5573	0.648	11	107.6054	0.726	28	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.5620	0.000	1	107.5573	0.648	11	107.6054	0.726	28	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)2{1|C<2>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.4410	0.000	1	108.4410	0.000	1	107.6054	0.726	28	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|Br<1>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)2{4|C<3>}	H(C[6]C[6a]C[6]2)	107.7540	0.000	1	107.4803	2.023	3	107.6054	0.726	28	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)2{4|C<3>}	H(C[6]C[6a]C[6]2)	108.7460	0.000	1	107.4803	2.023	3	107.6054	0.726	28	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)2{4|C<3>}	H(C[6]C[6a]C[6]2)	105.9410	0.000	1	107.4803	2.023	3	107.6054	0.726	28	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]Br)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|Br<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]Br)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.0380	0.000	1	107.0380	0.000	1	107.6054	0.726	28	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.9490	0.000	1	107.9490	0.000	1	107.6054	0.726	28	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.3320	0.000	1	108.3320	0.000	1	107.6054	0.726	28	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(H){1|F<1>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.4690	0.000	1	107.4690	0.000	1	107.6054	0.726	28	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6a]C[6]2)	108.9350	0.000	1	108.9350	0.000	1	107.6054	0.726	28	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{1|N<2>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.6950	0.437	2	108.6950	0.191	2	107.6054	0.726	28	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[5a,6a]C[6a])(C[6]N[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[5a,6a]C[6a])(C[6]N[6]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.2280	0.071	2	108.2280	0.005	2	108.2505	0.295	4	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.9350	0.000	1	108.2730	0.876	2	108.2505	0.295	4	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.6110	0.000	1	108.2730	0.876	2	108.2505	0.295	4	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,1|S<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.4180	0.000	1	107.4180	0.000	1	107.6751	1.009	112	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2{2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.5250	0.000	1	107.5250	0.000	1	107.6751	1.009	112	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6a]C[6]N[6])	108.3782	0.201	11	108.2379	0.176	13	107.6751	1.009	112	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.0800	0.000	1	108.2379	0.176	13	107.6751	1.009	112	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2{1|C<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.8530	0.000	1	108.2379	0.176	13	107.6751	1.009	112	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.2303	0.882	6	107.1581	0.592	49	107.6751	1.009	112	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6a]C[6]N[6])	108.4540	0.000	1	107.1581	0.592	49	107.6751	1.009	112	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.8391	0.808	21	107.1581	0.592	49	107.6751	1.009	112	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{3|C<3>,3|C<4>}	H(C[6]C[6a]C[6]N[6])	107.8561	0.227	11	107.1581	0.592	49	107.6751	1.009	112	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.1540	0.000	1	107.1581	0.592	49	107.6751	1.009	112	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.9771	0.228	7	107.1581	0.592	49	107.6751	1.009	112	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.1410	0.000	1	107.1581	0.592	49	107.6751	1.009	112	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){2|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.7380	0.000	1	107.1581	0.592	49	107.6751	1.009	112	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H)2{1|C<4>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	107.0810	0.000	1	107.1120	0.002	2	107.6751	1.009	112	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H)2{1|Si<4>,1|C<4>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.1430	0.000	1	107.1120	0.002	2	107.6751	1.009	112	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	109.2435	0.052	2	108.9303	0.296	3	107.6751	1.009	112	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	108.3040	0.000	1	108.9303	0.296	3	107.6751	1.009	112	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	108.1897	0.667	3	108.1897	0.445	3	107.6751	1.009	112	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	109.2438	0.223	5	108.7577	0.459	24	107.6751	1.009	112	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]N[6])	109.1413	0.151	3	108.7577	0.459	24	107.6751	1.009	112	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6a]C[6]N[6])	108.8383	0.040	3	108.7577	0.459	24	107.6751	1.009	112	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	108.7273	0.505	11	108.7577	0.459	24	107.6751	1.009	112	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.0130	0.081	2	108.7577	0.459	24	107.6751	1.009	112	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]N)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]N)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]N[6])	107.7520	0.000	1	107.7520	0.000	1	107.6751	1.009	112	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]N)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]N)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]N[6])	107.5800	0.000	1	107.5810	0.000	2	107.6751	1.009	112	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]N)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]N)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|N<2>,2|C<3>,3|C<4>}	H(C[6]C[6a]C[6]N[6])	107.5820	0.000	1	107.5810	0.000	2	107.6751	1.009	112	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2{1|S<4>,2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]N[6])	107.8890	0.000	1	107.4943	0.120	3	107.6751	1.009	112	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6]C[6a]C[6]N[6])	107.2970	0.081	2	107.4943	0.120	3	107.6751	1.009	112	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(H)2{1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.4820	0.000	1	107.4820	0.000	1	107.6751	1.009	112	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.7325	0.827	4	106.4651	0.532	9	107.6751	1.009	112	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<3>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.4000	0.000	1	106.4651	0.532	9	107.6751	1.009	112	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.2140	0.745	4	106.4651	0.532	9	107.6751	1.009	112	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.8195	1.802	2	108.8195	3.249	2	108.6303	0.883	7	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.4590	0.000	1	108.7520	0.172	2	108.6303	0.883	7	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]H)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	109.0450	0.000	1	108.7520	0.172	2	108.6303	0.883	7	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]O)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6a]C[6])(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6a]C[6])(H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.9460	0.095	2	108.9460	0.009	2	108.6303	0.883	7	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]S)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	107.3770	0.000	1	107.3770	0.000	1	108.6303	0.883	7	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:P[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(P[6]C[6]C)(H)	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]P[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(P[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]P[6])	108.0375	0.245	2	108.0375	0.060	2	108.0375	0.060	2	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	Ga[6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:Ga[6]-3:H-1:H-1:	C[6]-4:	C[6](Ga[6]C[6a]C[6])(C[6]Ga[6]HH)(C[6a]C[6a]2)(H)	C[6](C[6]C[6a]Ga[6]H)(Ga[6]C[6a]C[6])(H)2	H(C[6]C[6a]Ga[6]C[6])	C[6](Ga[6]C[6a]C[6])(C[6]Ga[6]HH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6]C[6a]Ga[6]H)(Ga[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[6a]Ga[6]C[6])	103.8250	0.000	1	103.8250	0.000	1	103.8250	0.000	1	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	N[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(CCH)(H)	C[6](C[6]N[5a,6]CH)(N[6]C[6]C)(H)2	H(C[6]N[5a,6]C[6]C)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(CCH)(H){2|C<4>,3|C<3>}	C[6](C[6]N[5a,6]CH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	H(C[6]N[5a,6]C[6]C)	108.9690	0.000	1	108.9690	0.000	1	108.9690	0.000	1	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	N[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)(H)	C[6](C[6]N[6,6a]CH)(N[6]C[6]C)(H)2	H(C[6]N[6,6a]C[6]C)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>}	C[6](C[6]N[6,6a]CH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	H(C[6]N[6,6a]C[6]C)	108.2810	0.000	1	108.2810	0.000	1	108.2810	0.000	1	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	N[6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CN[5]O)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CN[5]O)(H){3|C<3>,3|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]C)	108.1480	0.000	1	108.1480	0.000	1	108.1480	0.000	1	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:1:1:	4:	N[6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(NCH)(H)	C[6](C[6]N[6]HN)(C[6]N[6]O)(H)2	H(C[6]C[6]N[6]N)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(NCH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6](C[6]N[6]HN)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]N)	109.5690	0.000	1	109.5690	0.000	1	109.5690	0.000	1	107.7477	1.019	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:2:1:	4:	C[6,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6]-3:C-2:Cl-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClC)(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)(Cl)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClC)(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)(Cl){4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.1915	0.203	2	108.1915	0.041	2	108.1915	0.041	2	107.0894	6.001	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:2:1:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]C)(OH)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]C)(OH)(H){1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	107.3245	0.279	2	107.3245	0.078	2	107.3245	0.078	2	107.0894	6.001	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:2:1:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){3|H<1>,7|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.6855	0.210	2	105.8937	1.903	3	106.5185	1.242	6	107.0894	6.001	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:2:1:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){4|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	104.3100	0.000	1	105.8937	1.903	3	106.5185	1.242	6	107.0894	6.001	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:2:1:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H){2|H<1>,7|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.1433	0.176	3	107.1433	0.031	3	106.5185	1.242	6	107.0894	6.001	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:2:1:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(OC)(H)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NCH)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(OC)(H){1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]N)	107.7140	0.000	1	107.7140	0.000	1	107.7140	0.000	1	107.0894	6.001	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:2:1:	4:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(N[6]C[6]2)(H)	C[6](C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[6]C[6,6a]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(N[6]C[6]2)(H){2|C<4>,5|C<3>,5|H<1>}	C[6](C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]N[6])	107.1660	0.000	1	107.1660	0.000	1	107.1660	0.000	1	107.0894	6.001	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:2:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CN)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CN)(H){2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	98.6934	0.000	1	98.6934	0.000	1	98.6934	0.000	1	107.0894	6.001	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:2:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:S-2:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(SC[6a])(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]H)(H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(SC[6a])(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	109.3440	0.546	3	109.3440	0.298	3	109.3440	0.298	3	107.0894	6.001	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:2:1:	4:	N[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:N[6]-2:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]N[6]H)(CC[6a]O)(H)	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(N[6]C[6])(H)	H(C[6]N[5a,6]C[6]C)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]N[6]H)(CC[6a]O)(H){1|H<1>,5|C<3>}	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(N[6]C[6])(H){3|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6]C)	109.1640	0.000	1	109.1640	0.000	1	109.1640	0.000	1	107.0894	6.001	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:2:1:	4:	N[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]N[5a,6]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|N<2>,4|H<1>,5|C<3>}	H(C[6]N[5a,6]C[6a]C[6])	106.6960	0.000	1	106.6960	0.000	1	106.6960	0.000	1	107.0894	6.001	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:2:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(COO)(H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(O[6]C[6])(CF3)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(COO)(H){1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(O[6]C[6])(CF3){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	110.0650	0.000	1	110.0650	0.000	1	110.0650	0.000	1	108.3800	2.157	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:2:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:S-2:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CS)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(SC[6a])(CH3)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CS)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(SC[6a])(CH3){1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.5375	0.235	2	107.5375	0.055	2	107.5375	0.055	2	108.3800	2.157	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:3:1:	4:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]C)(H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]C)(H){2|H<1>,6|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.5070	0.000	1	108.5070	0.000	1	109.1010	0.240	4	107.5481	2.083	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:3:1:	4:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){2|H<1>,6|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	109.4325	0.378	2	109.4325	0.143	2	109.1010	0.240	4	107.5481	2.083	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:3:1:	4:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){1|S<2>,2|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	109.0320	0.000	1	109.0320	0.000	1	109.1010	0.240	4	107.5481	2.083	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CNO)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(COO)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CNO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(COO)(H){2|C<3>}	H(C[6]C[6,6a]C[6]C)	109.9720	0.000	1	109.9720	0.000	1	109.9720	0.000	1	107.5481	2.083	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]C)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(H){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]C)(H){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	110.6350	3.301	2	110.6350	10.895	2	110.6350	10.895	2	107.5481	2.083	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	106.5267	0.947	3	106.5267	0.897	3	107.1423	1.133	6	107.5481	2.083	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(H){1|H<1>,1|S<4>,5|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]S)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	107.7580	0.894	3	107.7580	0.800	3	107.1423	1.133	6	107.5481	2.083	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,8|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.1420	0.000	1	107.4424	0.211	5	107.4424	0.211	5	107.5481	2.083	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.2675	0.279	4	107.4424	0.211	5	107.4424	0.211	5	107.5481	2.083	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){1|H<1>,7|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.2850	0.000	1	107.3825	1.629	2	107.3825	1.629	2	107.5481	2.083	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){2|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.4800	0.000	1	107.3825	1.629	2	107.3825	1.629	2	107.5481	2.083	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,2|H<1>,7|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<1>,2|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.9460	0.000	1	107.0613	2.015	3	107.0613	2.015	3	107.5481	2.083	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,7|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<1>,2|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.1190	2.003	2	107.0613	2.015	3	107.0613	2.015	3	107.5481	2.083	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:N[6,6]-3:C[6a]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6a]C[6a]H)(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a]H)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,7|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.0570	0.000	1	106.0570	0.000	1	106.0570	0.000	1	107.5481	2.083	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(NHS)(H)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NCH)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(NHS)(H){1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]N)	107.1440	0.000	1	107.1440	0.000	1	107.1440	0.000	1	107.5481	2.083	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NCH)(H)	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]H)(H)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NCH)(H){2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]H)(H){3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]N)	106.4490	0.000	1	106.4490	0.000	1	107.3953	1.219	3	107.5481	2.083	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NHS)(H)	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]N[6]O)(H)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NHS)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]N)	107.8685	1.046	2	107.8685	1.094	2	107.3953	1.219	3	107.5481	2.083	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CCO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CCO)(H){5|C<3>}	H(C[6]C[6a]C[6]2)	107.7970	0.000	1	107.7970	0.000	1	107.2464	1.709	5	107.5481	2.083	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CC[6a]O)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|S<1>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CC[6a]O)(H){5|C<3>}	H(C[6]C[6a]C[6]2)	107.9760	0.000	1	107.9760	0.000	1	107.2464	1.709	5	107.5481	2.083	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(COO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(COO)(H){4|C<3>}	H(C[6]C[6a]C[6]2)	108.0710	0.000	1	108.0710	0.000	1	107.2464	1.709	5	107.5481	2.083	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(COO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]O)(H){1|S<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(COO)(H){1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.4400	0.000	1	107.4400	0.000	1	107.2464	1.709	5	107.5481	2.083	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]O[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(COO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]O[6]O)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(COO)(H){1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6a]C[6]2)	104.9480	0.000	1	104.9480	0.000	1	107.2464	1.709	5	107.5481	2.083	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.8880	0.000	1	106.8880	0.000	1	106.7899	2.594	15	107.5481	2.083	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	109.3737	0.150	3	109.3737	0.022	3	106.7899	2.594	15	107.5481	2.083	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6])(COO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|N<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6])(COO)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.9240	0.000	1	106.9240	0.000	1	106.7899	2.594	15	107.5481	2.083	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|Br<1>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)(H){1|N<2>,2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]N[6])	107.4720	0.000	1	105.9916	1.093	10	106.7899	2.594	15	107.5481	2.083	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)(H){1|N<2>,2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]N[6])	106.5290	0.000	1	105.9916	1.093	10	106.7899	2.594	15	107.5481	2.083	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)(H){1|N<2>,2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]N[6])	105.7394	0.989	8	105.9916	1.093	10	106.7899	2.594	15	107.5481	2.083	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(CNO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(CNO)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.5900	0.000	1	106.5900	0.000	1	107.2595	0.896	2	107.5481	2.083	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]S)(COO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<4>,2|C<3>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]S)(COO)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.9290	0.000	1	107.9290	0.000	1	107.2595	0.896	2	107.5481	2.083	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(H){1|H<1>,1|N<2>,6|C<3>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	108.7540	0.000	1	108.7540	0.000	1	108.7540	0.000	1	107.5481	2.083	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:3:1:	4:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]N[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]N[5,6]C[5])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[6]N[5,6]C[6a]C[6])	107.7110	0.000	1	107.7110	0.000	1	107.7110	0.000	1	107.5481	2.083	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:3:1:	4:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]N[5,6]C[6a]H)(C[6a]C[6a]2)(N[6]C[6]S)(H)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,2|N<2>,4|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6a]C[6a]2)(N[6]C[6]S)(H){4|H<1>,6|C<3>}	H(C[6]N[5,6]C[6a]C[6])	108.1170	0.076	2	108.1170	0.006	2	108.1170	0.006	2	107.5481	2.083	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:3:1:	4:	N[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]N[6]H)(COO)(H)	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	H(C[6]N[5a,6]C[6]C)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]N[6]H)(COO)(H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6]C)	108.4207	0.229	3	108.4207	0.053	3	108.4207	0.053	3	107.5481	2.083	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:3:1:	4:	N[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:C[5a]-3:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a]N[6]H)(COO)(H)	C[6](C[6]N[5a,6]CH)(N[6]C[6a]C[6])(C[5a]C[5a]2)(H)	H(C[6]N[5a,6]C[6]C)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a]N[6]H)(COO)(H){1|H<1>,6|C<3>}	C[6](C[6]N[5a,6]CH)(N[6]C[6a]C[6])(C[5a]C[5a]2)(H){1|O<1>,1|S<2>,2|H<1>,5|C<3>}	H(C[6]N[5a,6]C[6]C)	108.2610	0.000	1	108.2610	0.000	1	108.2610	0.000	1	107.5481	2.083	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:3:1:	4:	N[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]N[6]H)(COO)(H)	C[6](C[6]N[5a,6]CH)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	H(C[6]N[5a,6]C[6]C)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]N[6]H)(COO)(H){1|H<1>,6|C<3>}	C[6](C[6]N[5a,6]CH)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	H(C[6]N[5a,6]C[6]C)	107.9855	0.537	2	107.9855	0.288	2	107.9855	0.288	2	107.5481	2.083	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:3:1:	4:	N[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](N[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(C[6]C[6]Si)(H)	C[6](C[6]N[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	H(C[6]N[5a]C[6]2)	C[6](N[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(C[6]C[6]Si)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]N[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Si<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[6]N[5a]C[6]2)	106.5940	0.000	1	106.5940	0.000	1	106.5940	0.000	1	107.5481	2.083	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:3:3:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:N-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(COO)(NCH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(COO)(NCH){1|S<4>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	107.2370	0.106	2	107.2370	0.011	2	107.2370	0.011	2	107.2940	0.015	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:3:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(C[6a]C[6a]2)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(C[6a]C[6a]2)(H){1|N<2>,3|H<1>,9|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(C[6a]C[6a]2)2{10|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.4080	0.000	1	107.4080	0.000	1	107.4080	0.000	1	107.2940	0.015	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:3:4:	4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]C[6]C)(COO)(H)	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]C[6]C)(COO)(H){1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH){2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]C)	109.6327	0.986	3	109.6327	0.972	3	109.6327	0.972	3	109.6327	0.972	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(COO)(H)	C[6](C[6]C[5a,6]CH)(C[6]O[6]O)(CCHH)(H)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(COO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5a,6]CH)(C[6]O[6]O)(CCHH)(H){2|C<3>}	H(C[6]C[5a,6]C[6]C)	109.0190	0.000	1	109.0190	0.000	1	109.0190	0.000	1	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(COO)(H)	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(COO)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]C)	108.9840	0.000	1	108.2415	1.103	2	108.5452	0.491	4	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(COO)(H)	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(COO)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]C)	107.4990	0.000	1	108.2415	1.103	2	108.5452	0.491	4	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]H)(COO)(H)	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]H)(COO)(H){2|H<1>,6|C<3>}	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]C)	108.8490	0.020	2	108.8490	0.000	2	108.5452	0.491	4	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,7|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,2|C<2>,2|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.6930	0.000	1	108.6930	0.000	1	108.3960	0.459	4	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<2>,1|C<4>,2|H<1>,7|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H){2|O<2>,3|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	109.0140	0.000	1	109.0140	0.000	1	108.3960	0.459	4	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){4|H<1>,7|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.9385	0.699	2	107.9385	0.489	2	108.3960	0.459	4	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CCHH)(H)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5a]C[6]N[6])	107.3020	0.000	1	107.3020	0.000	1	107.7090	0.606	6	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5a]C[6]N[6])	107.1680	0.000	1	107.2153	0.175	3	107.7090	0.606	6	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5a]C[6]N[6])	107.2390	0.588	2	107.2153	0.175	3	107.7090	0.606	6	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CCHH)(H)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CCHH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5a]C[6]N[6])	108.6400	0.000	1	108.6400	0.000	1	107.7090	0.606	6	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CH)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[5a]C[6]N[6])	108.6660	0.000	1	108.6660	0.000	1	107.7090	0.606	6	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6,6]-3:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6a]-3:S[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]S[6]H)(N[5]C[5]2)(H)	C[6](C[6]C[6,6]N[5]H)(C[6a]C[6a]2)(S[6]O[6]OO)(H)	H(C[6]C[6,6]C[6]N[5])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]S[6]H)(N[5]C[5]2)(H){2|O<1>,2|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[6,6]N[5]H)(C[6a]C[6a]2)(S[6]O[6]OO)(H){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]N[5])	107.4200	0.000	1	107.4200	0.000	1	107.4200	0.000	1	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	109.0890	0.000	1	107.7843	2.447	3	107.8350	1.498	5	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]C)	106.0500	0.000	1	107.7843	2.447	3	107.8350	1.498	5	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H){3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	108.2140	0.000	1	107.7843	2.447	3	107.8350	1.498	5	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]CN)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	107.9110	1.038	2	107.9110	1.078	2	107.8350	1.498	5	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(COO)(H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(CCHO)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(COO)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(CCHO)(H){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	107.3335	0.716	2	107.3335	0.513	2	107.4933	0.333	3	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(COO)(H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(CF3)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(COO)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(CF3)(H){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	107.8130	0.000	1	107.8130	0.000	1	107.4933	0.333	3	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.2533	0.334	3	107.2533	0.112	3	106.9077	0.552	4	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]N[6]CH)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|C<4>,2|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	105.8710	0.000	1	105.8710	0.000	1	106.9077	0.552	4	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:N[3,6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[3,6]CH)(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6a]C[6a]H)(N[3,6]C[3,6]O[3])(CH3)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[3,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(N[3,6]C[3,6]O[3])(CH3)(H){1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.5250	0.448	2	108.5250	0.201	2	108.5250	0.201	2	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(NCH)(H)	C[6](C[6]C[6,6a]HN)(C[5a]C[5a]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(NCH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HN)(C[5a]C[5a]2)(C[6]C[6]HH)(H){1|S<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]N)	107.2770	0.321	2	107.2770	0.103	2	107.2770	0.103	2	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHN)(H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]O)(CCHH)(H)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHN)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]O[6]O)(CCHH)(H){2|C<3>}	H(C[6]C[6,6a]C[6]N)	109.8430	0.000	1	109.8430	0.000	1	108.4465	3.900	2	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(CC[6a]HH)(H)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(CC[6a]HH)(H){1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]N)	107.0500	0.000	1	107.0500	0.000	1	108.4465	3.900	2	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NN[5a]H)(H)	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NN[5a]H)(H){3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]N)	109.1960	0.000	1	109.1960	0.000	1	109.1960	0.000	1	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(N[5]C[5]2)(H)	C[6](C[6]C[6,6a]N[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]C[6]N[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6,6a]N[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,4|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]N[5])	107.1940	0.000	1	107.1940	0.000	1	107.1940	0.000	1	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]Si)(CSiHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]C)(H){1|Si<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]Si)(CSiHH)(H){3|C<3>}	H(C[6]C[6]2C)	108.2770	0.000	1	108.2770	0.000	1	108.2770	0.000	1	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CC[6a]HH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CC[6a]HH)(H){4|C<3>}	H(C[6]C[6a]C[6]2)	107.0000	0.000	1	107.0000	0.000	1	107.4147	0.171	9	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CH3)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CH3)(H){1|C<4>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.2540	0.000	1	107.2540	0.000	1	107.4147	0.171	9	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.6280	0.000	1	107.5840	0.004	2	107.4147	0.171	9	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H){1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.5400	0.000	1	107.5840	0.004	2	107.4147	0.171	9	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CCHH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CCHH)(H){1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.8595	0.443	2	107.8595	0.197	2	107.4147	0.171	9	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CC[6a]HH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CC[6a]HH)(H){1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	106.9680	0.242	2	106.9680	0.058	2	107.4147	0.171	9	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CH3)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CH3)(H){1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.6550	0.000	1	107.6550	0.000	1	107.4147	0.171	9	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CCCH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CCCH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.3740	0.000	1	108.3625	0.007	4	107.6327	0.954	90	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CCCH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CCCH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	108.3587	0.098	3	108.3625	0.007	4	107.6327	0.954	90	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CCHH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	108.2730	0.291	2	108.2730	0.085	2	107.6327	0.954	90	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6a]C[6]N[6])	108.5715	0.421	2	108.0290	0.395	10	107.6327	0.954	90	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	108.0927	0.207	6	108.0290	0.395	10	107.6327	0.954	90	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.2955	1.214	2	108.0290	0.395	10	107.6327	0.954	90	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCCH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCCH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.5675	0.425	2	106.5675	0.181	2	107.6327	0.954	90	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.0797	0.280	3	106.0797	0.078	3	107.6327	0.954	90	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CC[6a]HH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CC[6a]HH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.0030	0.000	1	107.0030	0.000	1	107.6327	0.954	90	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6a]C[6]N[6])	107.8650	0.000	1	107.2095	0.691	39	107.6327	0.954	90	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.2258	1.260	4	107.2095	0.691	39	107.6327	0.954	90	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.4984	0.393	15	107.2095	0.691	39	107.6327	0.954	90	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.8351	0.938	16	107.2095	0.691	39	107.6327	0.954	90	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	108.3160	0.000	1	107.2095	0.691	39	107.6327	0.954	90	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.1245	0.977	2	107.2095	0.691	39	107.6327	0.954	90	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(CCHH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.8650	0.000	1	108.8650	0.000	1	107.6327	0.954	90	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CC[6a]HH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.1155	0.241	2	108.1155	0.058	2	107.6327	0.954	90	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.7380	0.000	1	108.7380	0.000	1	107.6327	0.954	90	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCCH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCCH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.8683	0.279	4	108.8683	0.078	4	107.6327	0.954	90	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.5566	0.251	5	108.5566	0.063	5	107.6327	0.954	90	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CC[6a]HH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.5940	0.000	1	108.5940	0.000	1	107.6327	0.954	90	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	107.9600	1.455	4	108.3408	0.931	9	107.6327	0.954	90	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.4820	0.000	1	108.3408	0.931	9	107.6327	0.954	90	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	108.6863	0.069	4	108.3408	0.931	9	107.6327	0.954	90	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	106.1750	0.000	1	106.9796	0.674	5	107.6327	0.954	90	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]N[6])	107.2280	0.720	2	106.9796	0.674	5	107.6327	0.954	90	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]N[6])	107.1335	1.166	2	106.9796	0.674	5	107.6327	0.954	90	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	106.4610	0.000	1	106.4610	0.000	1	107.6327	0.954	90	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]N[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]N[5,6]C[5])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,7|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]N[5,6]C[6a]C[6])	108.7710	0.000	1	108.7710	0.000	1	108.7710	0.000	1	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	N[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(COO)(H)	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]N[5a,6]C[6]C)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(COO)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6]C)	108.5490	0.000	1	108.5490	0.000	1	108.5490	0.000	1	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	N[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	H(C[6]N[5a]C[6]2)	C[6](N[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]N[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	H(C[6]N[5a]C[6]2)	107.5970	0.000	1	107.5970	0.000	1	107.5970	0.000	1	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	N[6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6]-3:C-4:Br-1:	C[6]-4:	C[6](N[6]C[5a,6]S)(C[6]C[6]BrC)(C[6a]C[6a]2)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[5a,6]O)(CCHH)(Br)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[5a,6]S)(C[6]C[6]BrC)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[5a,6]O)(CCHH)(Br){1|O<2>,1|S<4>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.8520	0.000	1	106.8520	0.000	1	106.8520	0.000	1	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:1:	4:	N[6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6]-3:C-4:Cl-1:	C[6]-4:	C[6](N[6]C[5a,6]S)(C[6]C[6]ClC)(C[6a]C[6a]2)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[5a,6]O)(CCHH)(Cl)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[5a,6]S)(C[6]C[6]ClC)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[5a,6]O)(CCHH)(Cl){1|O<2>,1|S<4>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.7440	0.000	1	106.7440	0.000	1	106.7440	0.000	1	107.6957	0.888	141	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:2:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:N-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CC[6a]HH)(NC)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CC[6a]HH)(NC){2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	103.5130	0.000	1	103.5130	0.000	1	103.5130	0.000	1	105.8307	4.054	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:2:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(CH3)(OH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(N[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(CH3)(OH){2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.9895	0.224	2	106.9895	0.050	2	106.9895	0.050	2	105.8307	4.054	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:3:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(NC[6a]H)(H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]O)(CC[6a]HH)(NCH)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(NC[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]O[6]O)(CC[6a]HH)(NCH){2|C<3>}	H(C[6]C[6,6a]C[6]N)	108.3815	1.289	2	108.3815	1.662	2	108.3815	1.662	2	107.4583	1.972	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(CCH)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(CCH){2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]2)	105.8850	0.000	1	105.8850	0.000	1	105.8850	0.000	1	107.4583	1.972	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CC[6a]HH)(NCH)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CC[6a]HH)(NCH){1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.1850	0.000	1	107.1850	0.000	1	107.1850	0.000	1	107.4583	1.972	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CCH)(H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]CH)(CH3)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CCH)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]CH)(CH3){1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	107.0500	0.000	1	107.0500	0.000	1	107.0500	0.000	1	106.3647	0.810	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CH3)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CH3)2{1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.6720	0.000	1	107.6720	0.000	1	107.6720	0.000	1	106.3647	0.810	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	105.7257	0.194	11	105.7257	0.037	11	106.2402	0.757	16	106.3647	0.810	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]H)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.4390	0.000	1	107.4390	0.000	1	106.2402	0.757	16	106.3647	0.810	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.7153	0.222	3	107.7153	0.049	3	106.2402	0.757	16	106.3647	0.810	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:3:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]N)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]N)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	106.2750	0.000	1	106.2750	0.000	1	106.2402	0.757	16	106.3647	0.810	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[5,6]C[6a]H)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){3|C<3>,3|N<3>,5|H<1>}	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[5,6]C[6a]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	107.5450	0.000	1	107.5450	0.000	1	107.5450	0.000	1	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]N)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(NCH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]N)	108.2145	1.119	2	108.2145	1.253	2	108.2145	1.253	2	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(COO)(H)	C[6](C[6,6]C[6]2S[6])(C[6]C[5a,6]CH)(H)2	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(COO)(H){1|N<3>,1|S<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6]2S[6])(C[6]C[5a,6]CH)(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]C)	108.2800	0.704	2	108.2800	0.496	2	108.2800	0.496	2	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[5a,6]CH)(H)2	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(COO)(H){1|C<2>,1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[5a,6]CH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]C)	108.5870	0.000	1	108.5870	0.000	1	107.7960	0.954	4	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CCH)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]CC)(H)2	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CCH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]CC)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]C[6]C)	107.5790	0.000	1	107.5790	0.000	1	107.7960	0.954	4	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(COO)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]C[6]C)	108.5150	0.000	1	108.5150	0.000	1	107.7960	0.954	4	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[5a,6]CH)(C[6]O[6]HO)(H)2	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(COO)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[6](C[6]C[5a,6]CH)(C[6]O[6]HO)(H)2{2|C<3>}	H(C[6]C[5a,6]C[6]C)	106.5030	0.000	1	106.5030	0.000	1	107.7960	0.954	4	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6a]N[5]S[6])(C[6]C[5a,6]C[6a]H)(H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|S<2>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]N[5]S[6])(C[6]C[5a,6]C[6a]H)(H)2{1|S<4>,6|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.7190	0.000	1	107.7190	0.000	1	107.7190	0.000	1	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[5a,6]C[6a]H)(H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[5a,6]C[6a]H)(H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.6295	0.039	2	108.6295	0.002	2	108.6295	0.002	2	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]2S[6])(H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|N<3>,1|S<2>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]2S[6])(H)2{1|C<4>,4|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.8145	0.111	4	107.8145	0.012	4	107.8145	0.012	4	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(NC[6a]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HN)(H)2	H(C[6]C[5a,6]C[6]N)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(NC[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HN)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[5a,6]C[6]N)	110.2550	0.000	1	110.2550	0.000	1	110.2550	0.000	1	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[5a,6]HN)(C[6]S[6]CH)(H)2	H(C[6]C[5a,6]C[6]N)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(NCH)(H){1|C<3>,1|C<4>,1|S<2>,1|S<4>,2|H<1>}	C[6](C[6]C[5a,6]HN)(C[6]S[6]CH)(H)2{2|C<3>,2|O<1>}	H(C[6]C[5a,6]C[6]N)	107.5360	0.000	1	107.5360	0.000	1	108.5090	1.325	3	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NHS)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]C[6]N)	109.7800	0.000	1	108.9955	1.231	2	108.5090	1.325	3	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NHS)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]C[6]N)	108.2110	0.000	1	108.9955	1.231	2	108.5090	1.325	3	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[5a]C[6]2)	107.5560	0.000	1	107.4587	0.007	3	107.6218	0.238	6	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[5a]C[6]2)	107.4100	0.023	2	107.4587	0.007	3	107.6218	0.238	6	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	H(C[6]C[5a]C[6]2)	108.3650	0.000	1	108.3650	0.000	1	107.6218	0.238	6	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]O)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5a]C[6]2)	106.9900	0.000	1	107.4950	0.510	2	107.6218	0.238	6	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]O)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5a]C[6]2)	108.0000	0.000	1	107.4950	0.510	2	107.6218	0.238	6	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]S)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>,2|H<1>}	H(C[6]C[5a]C[6]N[6])	107.3155	0.251	2	107.3155	0.063	2	108.1655	0.990	4	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a]N[5a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]N[5a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>,2|N<2>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	H(C[6]C[5a]C[6]N[6])	109.0155	0.132	2	109.0155	0.017	2	108.1655	0.990	4	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CCC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]C)	107.1540	0.000	1	107.1540	0.000	1	106.7760	0.411	4	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCC)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|C<3>}	H(C[6]C[6,6]C[6]C)	107.4260	0.000	1	107.4260	0.000	1	106.7760	0.411	4	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CNO)(H)	C[6](C[6]C[6,6]CH)(C[6]N[6]CO)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CNO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|N<2>}	C[6](C[6]C[6,6]CH)(C[6]N[6]CO)(H)2{2|C<3>}	H(C[6]C[6,6]C[6]C)	106.5260	0.000	1	106.2620	0.139	2	106.7760	0.411	4	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CNO)(H)	C[6](C[6]C[6,6]CH)(C[6]N[6]CO)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CNO)(H){1|O<1>,1|O<2>,2|C<4>,2|N<3>}	C[6](C[6]C[6,6]CH)(C[6]N[6]CO)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]C)	105.9980	0.000	1	106.2620	0.139	2	106.7760	0.411	4	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]C[6a]H)(H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){2|C<3>,3|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]C[6a]H)(H)2{1|C<2>,1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6a]C[6])	105.7990	0.000	1	105.6815	0.028	2	105.6815	0.028	2	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]C[6a]H)(H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){3|C<3>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]C[6a]H)(H)2{1|H<1>,1|O<2>,3|C<4>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	105.5640	0.000	1	105.6815	0.028	2	105.6815	0.028	2	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NRuC)(H)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NRuC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]N)	106.8810	0.000	1	106.8810	0.000	1	106.8810	0.000	1	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:O-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(OAl2)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(OAl2)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]O)	101.9330	7.391	2	101.9330	54.622	2	101.9330	54.622	2	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC[5]H)(H)	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6a]CH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6a]CH)(H)2{3|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	108.6675	0.220	2	108.6675	0.048	2	108.6675	0.048	2	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[5,6]CH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(COO)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]N[5,6]CH)(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]C)	106.7210	0.000	1	106.7210	0.000	1	107.2856	0.289	5	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]CH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]CH)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]C)	106.7250	0.000	1	106.7250	0.000	1	107.2856	0.289	5	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO)(H)	C[6](C[6]C[6,6a]CH)(C[6]S[6]HH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO)(H){1|S<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]S[6]HH)(H)2{2|C<3>,2|O<1>}	H(C[6]C[6,6a]C[6]C)	107.5340	0.072	2	107.5340	0.005	2	107.2856	0.289	5	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]C)	107.9140	0.000	1	107.9140	0.000	1	107.2856	0.289	5	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]BrH)(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6,6a]C[6a]H)(Br)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]BrH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6,6a]C[6a]H)(Br)(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.9470	0.000	1	106.9470	0.000	1	106.9470	0.000	1	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]C[6a]H)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]C[6a]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,7|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.2940	0.000	1	107.2940	0.000	1	107.1110	0.084	4	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6a]H)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6a]H)(H)2{9|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.3300	0.000	1	107.3300	0.000	1	107.1110	0.084	4	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6]C[6,6a]C[6a]H)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){2|O<2>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6]C[6,6a]C[6a]H)(H)2{1|C<4>,6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.9100	0.301	2	106.9100	0.091	2	107.1110	0.084	4	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6,6a]C[6a]H)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6,6a]C[6a]H)(H)2{1|C<4>,1|N<3>,6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.5960	0.000	1	107.5960	0.000	1	107.4302	0.032	5	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]C[6a]H)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]C[6a]H)(H)2{1|H<1>,1|O<1>,1|O<2>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.1860	0.000	1	107.1860	0.000	1	107.4302	0.032	5	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6a]C[6a]H)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6a]C[6a]H)(H)2{1|N<2>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.5500	0.000	1	107.5500	0.000	1	107.4302	0.032	5	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6a]O[6]2)(C[6]C[6,6a]C[6a]H)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){2|O<2>,3|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]O[6]2)(C[6]C[6,6a]C[6a]H)(H)2{7|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.4095	0.163	2	107.4095	0.027	2	107.4302	0.032	5	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]2)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]2)(H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.2188	0.880	4	107.1120	0.637	5	107.1120	0.637	5	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]2)(H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){2|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]2)(H)2{1|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.6850	0.000	1	107.1120	0.637	5	107.1120	0.637	5	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(NC[6a]H)(H)	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6]C[6,6a]HN)(H)2	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(NC[6a]H)(H){2|O<2>,4|C<3>}	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6]C[6,6a]HN)(H)2{1|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6]N)	107.2280	0.000	1	107.2280	0.000	1	108.0084	0.236	5	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(NHS)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HN)(H)2	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(NHS)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HN)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]N)	108.2035	0.247	4	108.2035	0.061	4	108.0084	0.236	5	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FH)(NSS)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(F)(H)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FH)(NSS)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(F)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]N)	105.3393	0.464	3	105.3393	0.215	3	105.3393	0.215	3	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]N)	108.6510	0.000	1	108.6510	0.000	1	107.3364	0.836	19	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]N)	107.5729	0.588	8	107.5729	0.346	8	107.3364	0.836	19	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6,6a]HN)(C[6]N[6]CH)(H)2	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]N[6]CH)(H)2{2|C<3>}	H(C[6]C[6,6a]C[6]N)	108.1650	0.000	1	108.1650	0.000	1	107.3364	0.836	19	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCP)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCP)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]N)	106.1440	0.006	2	106.1440	0.000	2	107.3364	0.836	19	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HO)(H)2	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HO)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]N)	106.8250	0.000	1	106.8250	0.000	1	107.3364	0.836	19	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HN)(H)2	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HN)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]N)	105.6900	0.000	1	105.6900	0.000	1	107.3364	0.836	19	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HN)(H)2	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HN)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6]N)	107.9150	0.000	1	107.9150	0.000	1	107.3364	0.836	19	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NHS)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]N)	107.0020	0.000	1	107.0020	0.000	1	107.3364	0.836	19	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(H)2	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NHS)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(H)2{2|C<3>}	H(C[6]C[6,6a]C[6]N)	108.4330	0.000	1	108.4330	0.000	1	107.3364	0.836	19	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(H)2	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NHS)(H){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(H)2{2|C<3>}	H(C[6]C[6,6a]C[6]N)	107.9060	0.000	1	107.9060	0.000	1	107.3364	0.836	19	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(NCC)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(NCC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6,6a]C[6]N)	105.9330	0.000	1	105.9330	0.000	1	107.3364	0.836	19	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(NHH)(H)	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]HN)(H)2	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(NHH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]HN)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6]N)	108.5830	0.000	1	108.5830	0.000	1	108.5830	0.000	1	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:N[5]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(N[5]C[5]2)(H)	C[6](C[6,6]C[5,6,6]N[6,6]H)(C[6]C[6,6a]N[5]H)(H)2	H(C[6]C[6,6a]C[6]N[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]N[6,6]H)(C[6]C[6,6a]N[5]H)(H)2{2|C<4>,2|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6]N[5])	106.7410	0.000	1	106.7410	0.000	1	106.7410	0.000	1	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H)	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]N[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]N[5])	106.7038	0.456	5	106.7038	0.208	5	107.0130	0.371	9	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H)	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6,6a]C[6]N[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(H)2{1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]N[5])	106.6930	0.000	1	107.3995	0.354	4	107.0130	0.371	9	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H)	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6,6a]C[6]N[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(H)2{1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]N[5])	107.6350	0.445	3	107.3995	0.354	4	107.0130	0.371	9	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]O)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[3,6,6]O)(C[6]C[6]HH)(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2C)	107.2040	0.000	1	107.2040	0.000	1	107.4750	0.429	15	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2C)	106.9738	0.328	5	106.9738	0.107	5	107.4750	0.429	15	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(COO)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2C)	108.3115	0.078	2	107.9997	0.295	3	107.4750	0.429	15	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(COO)(H){2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2C)	107.3760	0.000	1	107.9997	0.295	3	107.4750	0.429	15	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CCC)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2C)	106.9820	0.000	1	106.9820	0.000	1	107.4750	0.429	15	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCC)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	107.7345	0.063	2	107.7345	0.004	2	107.4750	0.429	15	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CHN)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CHN)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{3|C<3>}	H(C[6]C[6]2C)	109.0160	0.000	1	109.0160	0.000	1	107.4750	0.429	15	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(CC[6a]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(CC[6a]C)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2C)	107.3490	0.000	1	107.3490	0.000	1	107.4750	0.429	15	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCC)(H){1|C<4>,1|S<4>,4|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.2370	0.000	1	107.2370	0.000	1	107.4750	0.429	15	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-3:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CNO)(H)	C[6](N[6]C[6,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CNO)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.6180	0.000	1	108.6180	0.000	1	108.6180	0.000	1	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6]3)	107.9830	0.000	1	107.9830	0.000	1	107.9830	0.000	1	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(NCC)(H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(NCC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2N)	106.2780	0.000	1	106.2780	0.000	1	107.7622	0.749	11	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(NCO)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(NCO)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2N)	107.4640	0.000	1	107.4640	0.000	1	107.7622	0.749	11	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(NHN)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(NHN)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2N)	108.0110	0.000	1	108.0110	0.000	1	107.7622	0.749	11	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(NCH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2N)	106.8290	0.980	2	106.8290	0.960	2	107.7622	0.749	11	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[5,6]HI)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(NHS)(H){1|H<1>,1|I<1>,2|C<4>}	C[6](C[6]C[5,6]HI)(C[6]C[6]HN)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2N)	108.1115	0.422	2	108.1115	0.178	2	107.7622	0.749	11	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]N)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]N[6,6]N)(C[6]C[6]HH)(NCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|N<3>,2|N<2>}	H(C[6]C[6]2N)	108.7390	0.000	1	108.7390	0.000	1	107.7622	0.749	11	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(NCH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2N)	108.2510	0.141	2	108.2510	0.020	2	107.7622	0.749	11	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6a]N)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]N[6,6a]N)(C[6]C[6]HH)(NCH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2{1|N<3>,2|N<2>}	H(C[6]C[6]2N)	108.5090	0.000	1	108.5090	0.000	1	107.7622	0.749	11	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[5,6]HI)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(N[5]C[5]2)(H){1|H<1>,1|I<1>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[5,6]HI)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]2N[5])	106.5512	0.901	5	106.5512	0.812	5	106.5512	0.812	5	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.9850	0.000	1	108.4580	0.555	2	107.6134	0.566	39	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	107.9310	0.000	1	108.4580	0.555	2	107.6134	0.566	39	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	106.9223	0.486	3	106.9223	0.236	3	107.6134	0.566	39	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CO)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CO)(H)2{1|C<4>,5|C<3>}	H(C[6]C[6a]C[6]2)	108.0480	0.000	2	108.0480	0.000	2	107.6134	0.566	39	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.8550	0.000	1	107.2485	0.736	2	107.6134	0.566	39	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.6420	0.000	1	107.2485	0.736	2	107.6134	0.566	39	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2{2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	108.0870	0.000	1	108.0870	0.000	1	107.6134	0.566	39	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(H)2{1|C<2>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.5603	0.929	3	107.5603	0.863	3	107.6134	0.566	39	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,3|C<3>}	H(C[6]C[6a]C[6]2)	106.8860	0.000	1	106.8860	0.000	1	107.6134	0.566	39	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(H)2{5|C<3>}	H(C[6]C[6a]C[6]2)	108.5820	0.000	1	108.5820	0.000	1	107.6134	0.566	39	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(H)2{1|C<2>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.4800	0.000	1	108.4800	0.000	1	107.6134	0.566	39	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2{1|C<2>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.6415	0.851	2	107.6415	0.724	2	107.6134	0.566	39	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6a]C[6]2)	106.8983	0.097	3	106.8983	0.009	3	107.6134	0.566	39	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CO)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CO)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.3930	0.000	1	107.3930	0.000	1	107.6134	0.566	39	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HO)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HO)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.8360	0.000	1	107.8360	0.000	1	107.6134	0.566	39	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]C)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]C)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.6840	0.000	1	107.6840	0.000	1	107.6134	0.566	39	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|Cl<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	108.1080	0.000	1	108.1080	0.000	1	107.6134	0.566	39	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(H)2{1|H<1>,1|S<3>,3|C<3>}	H(C[6]C[6a]C[6]2)	106.2310	0.000	1	107.6640	4.107	2	107.6134	0.566	39	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(H)2{1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6a]C[6]2)	109.0970	0.000	1	107.6640	4.107	2	107.6134	0.566	39	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){2|H<1>,2|O<2>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	109.1840	0.000	1	109.1840	0.000	1	107.6134	0.566	39	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.9180	0.000	1	107.9180	0.000	1	107.6134	0.566	39	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	107.2280	0.000	1	107.2280	0.000	1	107.6134	0.566	39	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2{1|C<4>,1|N<3>,2|C<3>}	H(C[6]C[6a]C[6]2)	107.6090	0.000	2	107.5448	0.027	6	107.6134	0.566	39	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2{1|C<4>,1|N<2>,2|C<3>}	H(C[6]C[6a]C[6]2)	107.6875	0.018	2	107.5448	0.027	6	107.6134	0.566	39	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2{1|N<3>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.3380	0.000	2	107.5448	0.027	6	107.6134	0.566	39	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H){1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(H)2{1|C<4>,1|N<3>,2|C<3>}	H(C[6]C[6a]C[6]2)	107.3420	0.000	1	107.8640	0.545	2	107.6134	0.566	39	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H){2|C<3>,2|O<2>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(H)2{1|C<4>,1|N<2>,2|C<3>}	H(C[6]C[6a]C[6]2)	108.3860	0.000	1	107.8640	0.545	2	107.6134	0.566	39	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	106.2780	0.000	1	106.2780	0.000	1	107.6134	0.566	39	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]FF)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]FF)(F)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]FF)(N[6]C[6]C)(H){1|C<4>,2|C<3>,2|F<1>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]FF)(F)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	108.6100	0.000	1	108.6100	0.000	1	108.6100	0.000	1	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	108.9520	0.000	1	108.9520	0.000	1	107.9116	1.019	71	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[5,6]HH)(H)2{2|C<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.7580	0.000	1	106.7580	0.000	1	107.9116	1.019	71	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.2270	0.356	2	108.0930	0.886	5	107.9116	1.019	71	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.8890	0.000	1	108.0930	0.886	5	107.9116	1.019	71	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	109.0610	0.010	2	108.0930	0.886	5	107.9116	1.019	71	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]ClH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]ClH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	109.5160	0.000	1	109.5160	0.000	1	107.9116	1.019	71	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]FH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]FH)(H)2{1|C<4>,1|F<1>,1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.1075	0.590	2	106.8585	0.202	4	107.9116	1.019	71	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]FH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]FH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.6095	0.098	2	106.8585	0.202	4	107.9116	1.019	71	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6a]C[6]N[6])	108.0520	0.000	1	107.6484	0.713	12	107.9116	1.019	71	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.8588	0.701	4	107.6484	0.713	12	107.9116	1.019	71	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	108.1910	0.202	4	107.6484	0.713	12	107.9116	1.019	71	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{2|C<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.9190	0.000	1	107.6484	0.713	12	107.9116	1.019	71	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{3|C<3>,3|C<4>}	H(C[6]C[6a]C[6]N[6])	107.8055	1.513	2	107.6484	0.713	12	107.9116	1.019	71	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]ClH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]ClH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.4440	0.000	1	108.4440	0.000	1	107.9116	1.019	71	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|F<1>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7390	0.000	1	108.6133	0.176	7	107.9116	1.019	71	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.7322	0.213	4	108.6133	0.176	7	107.9116	1.019	71	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	108.7200	0.000	1	108.6133	0.176	7	107.9116	1.019	71	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.9050	0.000	1	108.6133	0.176	7	107.9116	1.019	71	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6]O)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|N<3>,1|O<2>,1|S<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6]O)(H)2{2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.5620	0.000	1	107.5620	0.000	1	107.9116	1.019	71	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<2>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]O[6]H)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.9530	0.000	1	106.9530	0.000	1	107.9116	1.019	71	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]S[6]H)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|N<3>,1|S<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]S[6]H)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	108.1200	0.332	3	108.1200	0.110	3	107.9116	1.019	71	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,1|S<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.7180	0.000	1	108.7180	0.000	1	107.9116	1.019	71	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CC)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CC)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	109.1300	1.718	4	109.1300	2.951	4	107.9116	1.019	71	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]O[6]HH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	110.6500	0.000	1	110.6500	0.000	1	107.9116	1.019	71	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(H)2{1|C<4>,1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.2090	0.037	2	107.2090	0.001	2	107.9116	1.019	71	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]BrH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]BrH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	107.7300	0.000	1	107.7300	0.000	1	107.9116	1.019	71	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	107.6490	0.841	2	107.6490	0.708	2	107.9116	1.019	71	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]ClH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]ClH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	107.0850	0.000	1	107.0850	0.000	1	107.9116	1.019	71	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]FH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]FH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	107.1290	0.000	1	107.1290	0.000	1	107.9116	1.019	71	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]N[6])	108.0515	0.868	2	107.1699	0.610	7	107.9116	1.019	71	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|S<4>,2|C<3>,3|C<4>}	H(C[6]C[6a]C[6]N[6])	107.1910	0.115	2	107.1699	0.610	7	107.9116	1.019	71	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	106.5680	0.357	3	107.1699	0.610	7	107.9116	1.019	71	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.4410	0.096	2	108.4410	0.009	2	107.9116	1.019	71	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HS)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,1|S<2>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HS)(H)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.8980	0.000	1	106.8980	0.000	1	107.9116	1.019	71	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.2657	0.137	3	107.3837	0.068	4	107.9116	1.019	71	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(H){3|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|N<2>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7380	0.000	1	107.3837	0.068	4	107.9116	1.019	71	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CC)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(H){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CC)(H)2{1|C<4>,1|N<2>,2|C<3>}	H(C[6]C[6a]C[6]N[6])	107.1820	0.000	1	107.1820	0.000	1	107.9116	1.019	71	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	109.2250	0.000	1	109.2250	0.000	1	107.9116	1.019	71	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]S[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]S[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CH)(H)2{1|S<4>,2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]N[6])	108.6720	0.000	1	108.6720	0.000	1	107.9116	1.019	71	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]S[6]C)(H)	C[6](C[6]C[6a]N[6]H)2(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]S[6]C)(H){1|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)2(H)2{1|S<4>,2|C<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.3855	1.070	2	108.3855	1.145	2	107.9116	1.019	71	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]S[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]S[6]H)(H){1|O<2>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]O[6]HH)(H)2{1|H<1>,1|S<4>,2|C<3>}	H(C[6]C[6a]C[6]N[6])	108.1530	1.297	2	108.1530	1.682	2	107.9116	1.019	71	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]2)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]CH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]2)(H){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.2700	0.000	1	108.2700	0.000	1	108.2700	0.000	1	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	N[4,6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]HH)(COO)(H)	C[6](C[6]N[4,6]CH)(C[6]C[6]ClC)(H)2	H(C[6]N[4,6]C[6]C)	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]HH)(COO)(H){1|Cl<1>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]N[4,6]CH)(C[6]C[6]ClC)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[4,6]C[6]C)	107.3830	0.000	1	107.3830	0.000	1	107.3830	0.000	1	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C-3:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(COO)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[5,6]CH)(H)2	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(COO)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[5,6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]N[5,6]C[6]C)	107.4690	0.000	1	107.4690	0.000	1	107.4690	0.000	1	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(COO)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]CH)(H)2	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(COO)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]N[5,6]C[6]C)	108.2900	0.000	1	108.2900	0.000	1	108.2900	0.000	1	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(COO)(H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(COO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]N[5,6]C[6]C)	109.3120	0.000	1	109.3120	0.000	1	107.9597	1.104	4	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(COO)(H)	C[6](C[6]N[5,6]CH)(C[6]C[6]ClC)(H)2	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(COO)(H){1|Cl<1>,1|H<1>,1|O<1>,4|C<4>}	C[6](C[6]N[5,6]CH)(C[6]C[6]ClC)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]C)	106.7680	0.000	1	106.7680	0.000	1	107.9597	1.104	4	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(COO)(H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(COO)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|I<1>}	H(C[6]N[5,6]C[6]C)	107.8795	0.221	2	107.8795	0.049	2	107.9597	1.104	4	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:S-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(SCO)(H)	C[6](C[6]C[5,6]HH)(C[6]N[5,6]HS)(H)2	H(C[6]N[5,6]C[6]S)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(SCO)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[5,6]HS)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]N[5,6]C[6]S)	108.4120	0.000	1	108.4120	0.000	1	108.4120	0.000	1	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	N[5a,6]-3:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]CH)(H)2	H(C[6]N[5a,6]C[6]C)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(CCH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]CH)(H)2{1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]N[5a,6]C[6]C)	109.8645	0.777	2	109.5560	0.587	3	109.5560	0.587	3	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	N[5a,6]-3:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]CH)(H)2	H(C[6]N[5a,6]C[6]C)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(CCH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]CH)(H)2{1|C<3>,1|N<2>,1|O<2>,4|C<4>}	H(C[6]N[5a,6]C[6]C)	108.9390	0.000	1	109.5560	0.587	3	109.5560	0.587	3	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	N[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]C[6a]H)(H)2	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,3|C<4>,5|C<3>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]C[6a]H)(H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6a]C[6])	108.9495	0.071	2	108.9495	0.005	2	108.9495	0.005	2	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	N[5a,6]-3:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(NCC)(H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HN)(H)2	H(C[6]N[5a,6]C[6]N)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(NCC)(H){3|C<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HN)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]N[5a,6]C[6]N)	109.3390	0.000	1	109.3390	0.000	1	109.3390	0.000	1	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	N[5a]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2C)(C[6]N[5a]C[6]H)(H)2	H(C[6]N[5a]C[6]2)	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]O)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]N[5a]C[6]H)(H)2{1|C<3>,1|N<2>,1|O<1>,2|H<1>,4|C<4>}	H(C[6]N[5a]C[6]2)	106.5830	0.000	1	106.5830	0.000	1	106.5830	0.000	1	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	N[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a]N[5a]2)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[5a]C[6]2)	C[6](N[5a]N[5a]2)(C[6]C[6]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|N<2>}	H(C[6]N[5a]C[6]2)	106.9880	0.000	1	106.9880	0.000	1	106.9880	0.000	1	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO)(H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]N[6,6]C[6]C)	107.0960	0.000	1	107.0960	0.000	1	107.0960	0.000	1	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(C[6]C[6]2)(H)	C[6](C[6]N[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]N[6,6]C[6]2)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(C[6]C[6]2)(H){1|N<3>,4|C<4>,8|H<1>}	C[6](C[6]N[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[6]N[6,6]C[6]2)	108.1460	0.000	1	108.1460	0.000	1	108.1460	0.000	1	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(COO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]C)	107.4330	1.965	3	107.4330	3.860	3	107.8330	3.142	6	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6,6a]HO)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(COO)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]N[6]C)	106.5520	0.000	1	106.5520	0.000	1	107.8330	3.142	6	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(COO)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	107.8920	0.000	1	107.8920	0.000	1	107.8330	3.142	6	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CO)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(COO)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]C)	110.2550	0.000	1	110.2550	0.000	1	107.8330	3.142	6	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](N[6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2N[6])	106.6525	0.340	2	106.6525	0.116	2	106.6525	0.116	2	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2{1|C<4>,2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	107.8430	0.000	1	107.8430	0.000	1	107.8430	0.000	1	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	N[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](N[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]H)(H)	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HO)(F)(H)	H(C[6]N[6a]C[6]2)	C[6](N[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HO)(F)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]N[6a]C[6]2)	107.6410	0.000	1	107.6410	0.000	1	107.6410	0.000	1	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:1:1:	4:	P[6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6]C[6a]C[6])(C[6]C[6]HH)(CCP)(H)	C[6](C[6]C[6]HH)(C[6]P[6]CH)(H)2	H(C[6]C[6]P[6]C)	C[6](P[6]C[6a]C[6])(C[6]C[6]HH)(CCP)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]P[6]CH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]P[6]C)	109.6945	0.161	2	109.6945	0.026	2	109.6945	0.026	2	107.6379	1.415	274	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:2:1:	4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(C[6]N[6]O)(H)	C[6](C[6]C[5a]C[6]H)2(OH)(H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(C[6]N[6]O)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6]H)2(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[6]C[5a]C[6]2)	105.4580	0.000	1	105.4580	0.000	1	105.4580	0.000	1	107.5043	2.168	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:2:1:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(N[6]C[6]S)(H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(N[6]C[6]S)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[5a]C[6]N[6])	106.0720	0.000	1	106.0720	0.000	1	106.0720	0.000	1	107.5043	2.168	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:2:1:	4:	C[6,6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(NCH)(H){3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]N)	107.2030	0.235	2	107.2030	0.055	2	107.2030	0.055	2	107.5043	2.168	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	107.2910	0.000	1	107.2910	0.000	1	107.3660	0.011	2	107.5043	2.168	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CC[6a]O)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CC[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OC)(H){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	107.4410	0.000	1	107.4410	0.000	1	107.3660	0.011	2	107.5043	2.168	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6]-4:C-2:Cl-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]NO)(CN)(Cl)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(C[6a]C[6a]2)(H){1|N<2>,2|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]NO)(CN)(Cl){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.3010	0.000	1	106.3010	0.000	1	106.3010	0.000	1	107.5043	2.168	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CN)(H)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CN)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]N)	109.4550	0.000	1	109.4550	0.000	1	109.4550	0.000	1	107.5043	2.168	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(OH)(H)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(OH)(H){2|C<3>}	H(C[6]C[6,6a]C[6]N)	110.4480	0.000	1	110.4480	0.000	1	110.4480	0.000	1	107.5043	2.168	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:2:1:	4:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2N)	107.3510	0.000	1	107.3510	0.000	1	106.5650	1.236	2	107.5043	2.168	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:2:1:	4:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	H(C[6]C[6]2N)	105.7790	0.000	1	105.7790	0.000	1	106.5650	1.236	2	107.5043	2.168	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:2:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H){3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.9820	0.000	1	107.9820	0.000	1	106.9465	1.293	4	107.5043	2.168	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:2:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(OH)(H){3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.5910	0.000	1	106.5910	0.000	1	106.9465	1.293	4	107.5043	2.168	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:2:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]O)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	105.5000	0.000	1	105.5000	0.000	1	106.9465	1.293	4	107.5043	2.168	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:2:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]N[6]C)(H){1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(OC)(H){1|C<4>,1|N<3>,2|C<3>}	H(C[6]C[6a]C[6]2)	107.7130	0.000	1	107.7130	0.000	1	106.9465	1.293	4	107.5043	2.168	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:2:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]C)(H){1|C<4>,2|C<3>,2|F<1>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.9700	0.000	1	106.9700	0.000	1	107.2190	0.683	4	107.5043	2.168	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:2:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]C)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OSi)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.3400	0.000	1	107.3400	0.000	1	107.2190	0.683	4	107.5043	2.168	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:2:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OSi)(H){3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.2740	0.000	1	108.2740	0.000	1	107.2190	0.683	4	107.5043	2.168	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:2:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]S)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]S)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	106.2920	0.000	1	106.2920	0.000	1	107.2190	0.683	4	107.5043	2.168	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:2:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]HH)(SC)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]H)(H){1|N<3>,1|S<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]HH)(SC)(H){1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.2870	0.714	2	108.2870	0.510	2	108.2870	0.510	2	107.5043	2.168	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:2:1:	4:	N[5,6]-3:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6]C[5,6]HO)(CCH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]CH)(OC)(H)	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]N[5])(C[6]C[5,6]HO)(CCH)(H){1|C<2>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[6]N[5,6]C[6]C)	107.5010	0.000	1	107.5010	0.000	1	107.5010	0.000	1	107.5043	2.168	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:2:1:	4:	N[5,6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(NCH)(H)	C[6](C[6]N[5,6]HN)(C[6]C[6]HO)(OH)(H)	H(C[6]N[5,6]C[6]N)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(NCH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]N[5,6]HN)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]N[5,6]C[6]N)	107.7190	0.000	1	107.7190	0.000	1	107.7190	0.000	1	107.5043	2.168	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:2:1:	4:	N[6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HO)(COO)(H)	C[6](C[6]C[6,6a]HO)(C[6]N[6]CH)(OH)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]C)(C[6]C[6]HO)(COO)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]N[6]CH)(OH)(H){3|C<3>}	H(C[6]C[6]N[6]C)	111.6450	0.000	1	111.6450	0.000	1	111.6450	0.000	1	107.5043	2.168	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:2:2:	4:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C-2:C-2:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]CC)(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]C[6a]H)(CN)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]CC)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]C[6a]H)(CN)2{1|H<1>,1|N<3>,1|O<1>,7|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.1080	0.516	2	107.1080	0.266	2	107.1080	0.266	2	106.4141	3.339	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:2:2:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CCH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(CN)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CCH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(CN)2{1|S<4>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	106.4550	0.000	1	106.4550	0.000	1	106.4550	0.000	1	106.4141	3.339	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:2:2:	4:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]OO)(COO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OC)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]H)(C[6]C[6]OO)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OC)2{2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.1170	0.000	1	108.1170	0.000	1	108.1170	0.000	1	106.4141	3.339	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:2:2:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(CN)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){2|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(CN)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.2040	2.178	2	106.2040	4.743	2	105.6445	3.317	6	106.4141	3.339	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:2:2:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)2(CN)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)2(CN)2{1|H<1>,7|C<3>}	H(C[6]C[6a]C[6]2)	106.4340	0.000	1	106.9615	0.557	2	105.6445	3.317	6	106.4141	3.339	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:2:2:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)2(CN)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)2(CN)2{2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	107.4890	0.000	1	106.9615	0.557	2	105.6445	3.317	6	106.4141	3.339	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:2:2:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CN)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CN)2{3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	103.7680	0.387	2	103.7680	0.150	2	105.6445	3.317	6	106.4141	3.339	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:2:2:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]S)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]N[6]H)(CN)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]S)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]N[6]H)(CN)2{1|C<4>,1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	103.7090	0.000	1	103.7090	0.000	1	103.7090	0.000	1	106.4141	3.339	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:2:2:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(N[6]C[6]S)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC)(OH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(N[6]C[6]S)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC)(OH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	105.8780	0.000	1	105.8780	0.000	1	105.8780	0.000	1	106.4141	3.339	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:2:2:	4:	N[6]-3:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-2:C-2:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(CCH)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]CH)(CN)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(CCH)(H){1|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]CH)(CN)2{1|N<3>,1|O<1>,5|C<3>}	H(C[6]C[6]N[6]C)	109.1990	0.000	1	108.7780	0.354	2	108.7780	0.354	2	106.4141	3.339	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:2:2:	4:	N[6]-3:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-2:C-2:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(CCH)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]CH)(CN)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(CCH)(H){6|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]CH)(CN)2{1|N<3>,1|O<1>,5|C<3>}	H(C[6]C[6]N[6]C)	108.3570	0.000	1	108.7780	0.354	2	108.7780	0.354	2	106.4141	3.339	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]CH)(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C[6a]H)(COO)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]CH)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C[6a]H)(COO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.1070	0.000	1	106.1070	0.000	1	106.1070	0.000	1	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(COO)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]CH)(CC[6a]O)(H)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(COO)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]CH)(CC[6a]O)(H){1|H<1>,1|O<1>,2|N<3>,4|C<3>}	H(C[6]C[5a,6]C[6]C)	108.8640	0.000	1	108.8640	0.000	1	108.6565	0.086	2	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(COO)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]CH)(COO)(H)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(COO)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]CH)(COO)(H){1|H<1>,1|O<1>,2|N<3>,4|C<3>}	H(C[6]C[5a,6]C[6]C)	108.4490	0.000	1	108.4490	0.000	1	108.6565	0.086	2	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(COO)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[5a,6]CH)(C[6a]C[6a]2)(H)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(COO)(H){1|C<4>,1|H<1>,6|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[5a,6]CH)(C[6a]C[6a]2)(H){1|N<3>,2|O<1>,3|H<1>,6|C<3>}	H(C[6]C[5a,6]C[6]C)	109.1773	0.437	3	109.1773	0.191	3	109.1773	0.191	3	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CC)(CHO)(H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CC)(CHO)(H){3|C<3>,3|H<1>}	H(C[6]C[5a]C[6]2)	107.8810	0.000	1	107.8810	0.000	1	107.3596	0.477	5	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CCC)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[5a]C[6]2)	106.8050	0.000	2	106.8710	0.013	3	107.3596	0.477	5	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]O)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CCC)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[5a]C[6]2)	107.0030	0.000	1	106.8710	0.013	3	107.3596	0.477	5	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6]H)2(CCC)(H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CH)(C[6]C[6]H)(H){1|H<1>,1|S<4>,3|C<3>,3|C<4>}	C[6](C[6]C[5a]C[6]H)2(CCC)(H){2|N<3>,3|C<3>,3|H<1>}	H(C[6]C[5a]C[6]2)	108.3040	0.000	1	108.3040	0.000	1	107.3596	0.477	5	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:B[5]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(B[5]O[5]2)(H)	C[6](C[6]C[6,6a]B[5]H)(C[6]C[5a]N[6]H)(COO)(H)	H(C[6]C[6,6a]B[5]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(B[5]O[5]2)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]B[5]H)(C[6]C[5a]N[6]H)(COO)(H){1|H<1>,2|O<2>,4|C<3>}	H(C[6]C[6,6a]B[5]C[6])	105.7880	0.000	1	105.7880	0.000	1	105.7880	0.000	1	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[3,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C[6a]H)(CC[6a]O)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C[6a]H)(CC[6a]O)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H){1|S<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	106.9600	0.000	1	106.9600	0.000	1	106.9600	0.000	1	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(COO)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(COO)(H){1|H<1>,7|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H){2|H<1>,3|O<1>,6|C<3>}	H(C[6]C[6,6a]C[6]C)	109.2340	0.000	1	109.2340	0.000	1	109.2340	0.000	1	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(CC[6a]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(CC[6a]O)(H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]C)	107.9120	0.000	1	107.9120	0.000	1	107.9120	0.000	1	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	109.1860	0.000	1	109.1860	0.000	1	108.8107	0.144	3	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCH)(H)	C[6](C[6]C[5a]O[6]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCH)(H){1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[5a]O[6]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]C)	108.6230	0.279	2	108.6230	0.078	2	108.8107	0.144	3	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HN)(CCH)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NCH)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HN)(CCH)(H){3|C<3>,3|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NCH)(H){3|C<3>}	H(C[6]C[6,6a]C[6]C)	107.7935	0.060	2	107.7935	0.004	2	108.2530	0.635	3	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HN)(CCH)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NCS)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HN)(CCH)(H){3|C<3>,3|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NCS)(H){3|C<3>}	H(C[6]C[6,6a]C[6]C)	109.1720	0.000	1	109.1720	0.000	1	108.2530	0.635	3	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[3,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(C[6a]C[6a]2)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6a]C[6a]H)(COO)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6a]C[6a]H)(COO)(H){1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	105.7350	0.000	1	105.7350	0.000	1	105.7350	0.000	1	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[5a]O[6]H)(C[6a]C[6a]2)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,7|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[5a]O[6]H)(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.8060	0.000	1	106.8060	0.000	1	106.9680	0.196	5	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,7|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.0085	0.500	4	107.0085	0.250	4	106.9680	0.196	5	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NC[6a]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HN)(COO)(H)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NC[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HN)(COO)(H){1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]N)	108.1190	0.000	1	108.1190	0.000	1	107.6100	0.137	4	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHP)(H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CCO)(H)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHP)(H){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CCO)(H){2|C<3>}	H(C[6]C[6,6a]C[6]N)	107.2360	0.000	1	107.2360	0.000	1	107.6100	0.137	4	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CCH)(H)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CCH)(H){2|C<3>}	H(C[6]C[6,6a]C[6]N)	107.5120	0.000	1	107.5120	0.000	1	107.6100	0.137	4	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(NN[5]C)(H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CCH)(H)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(NN[5]C)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CCH)(H){2|C<3>}	H(C[6]C[6,6a]C[6]N)	107.5730	0.000	1	107.5730	0.000	1	107.6100	0.137	4	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(NCH)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]2H)(C[6]C[6]H)(H)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(NCH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]2H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]N)	107.0180	0.082	2	107.0180	0.007	2	107.0180	0.007	2	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NHS)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HN)(NOO)(H)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NHS)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HN)(NOO)(H){4|C<3>}	H(C[6]C[6,6a]C[6]N)	106.5450	0.000	1	106.5450	0.000	1	106.5450	0.000	1	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]CH)(COO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCH)(H)	H(C[6]C[6]2C)	C[6](C[6]N[6,6]O)(C[6]C[6]CH)(COO)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2C)	107.7840	0.000	1	107.7840	0.000	1	107.7840	0.000	1	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6])(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(CCH)(H)	H(C[6]C[6]3)	C[6](C[6]C[5,6]C[6])(C[6]C[6]CH)(C[6]C[6]C)(H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(CCH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]3)	107.7120	0.000	1	107.7120	0.000	1	107.3265	0.297	2	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]2)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]2)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCC)(H){1|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6]3)	106.9410	0.000	1	106.9410	0.000	1	107.3265	0.297	2	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6]-3:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HN)(N[5]C[5]2)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N[5]H)(NOO)(H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6a]C[6])(C[6]C[6]HN)(N[5]C[5]2)(H){3|C<3>,4|C<4>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N[5]H)(NOO)(H){1|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6]2N[5])	107.5460	0.000	1	107.5460	0.000	1	107.5460	0.000	1	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(COO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(COO)(H){1|C<4>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.5070	0.030	2	107.4977	0.001	3	107.5999	0.490	15	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(COO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]C)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(COO)(H){1|C<4>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.4790	0.000	1	107.4977	0.001	3	107.5999	0.490	15	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(CCO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(CCO)(H){2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.6010	0.000	1	107.6010	0.000	1	107.5999	0.490	15	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(H){2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.1460	0.000	1	108.1460	0.000	1	107.5999	0.490	15	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHO)(H){2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.5130	0.000	1	107.5130	0.000	1	107.5999	0.490	15	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(COO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(COO)(H){1|C<4>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.1090	0.000	1	107.1090	0.000	1	107.5999	0.490	15	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(CCO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(CCO)(H){5|C<3>}	H(C[6]C[6a]C[6]2)	106.5670	0.000	1	106.5670	0.000	1	107.5999	0.490	15	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)2(CHO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)2(CHO)(H){2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	107.0870	0.000	1	107.0870	0.000	1	107.5999	0.490	15	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CN[5]O)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CN[5]O)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	109.2990	0.000	1	109.2990	0.000	1	107.5999	0.490	15	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)(H){1|H<1>,2|C<2>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.3210	0.000	1	107.3210	0.000	1	107.5999	0.490	15	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCC)(H){3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	108.3005	0.706	2	108.3005	0.499	2	107.5999	0.490	15	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)2(CCO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)2(CCO)(H){3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.3180	0.000	1	107.3180	0.000	1	107.5999	0.490	15	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)2(CC[6a]O)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)2(CC[6a]O)(H){3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.9430	0.000	1	106.9430	0.000	1	107.5999	0.490	15	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(NOO)(H){1|C<4>,4|C<3>}	H(C[6]C[6a]C[6]2)	105.4600	0.000	1	105.4600	0.000	1	106.9732	0.781	10	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)2(NOO)(H){3|C<2>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.5500	1.632	2	107.1718	0.631	8	106.9732	0.781	10	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)2(NOO)(H){1|H<1>,7|C<3>}	H(C[6]C[6a]C[6]2)	107.6630	0.000	1	107.1718	0.631	8	106.9732	0.781	10	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)2(NOO)(H){2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	106.9222	0.477	5	107.1718	0.631	8	106.9732	0.781	10	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(NOO)(H){1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.8980	0.000	1	106.8980	0.000	1	106.9732	0.781	10	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:B[5]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]B[5]C[6]H)(N[6]C[6,6a]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(B[5]O[5]2)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a,6a]C[6a])(C[6]B[5]C[6]H)(N[6]C[6,6a]C)(H){2|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(B[5]O[5]2)(H){2|C<4>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	106.9350	0.000	1	106.9350	0.000	1	106.9350	0.000	1	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCH)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.1430	0.000	1	106.1430	0.000	1	108.1568	1.529	24	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(COO)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.0330	0.063	4	107.0330	0.004	4	108.1568	1.529	24	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	105.9390	0.000	1	106.5170	0.668	2	108.1568	1.529	24	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.0950	0.000	1	106.5170	0.668	2	108.1568	1.529	24	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HO)(CCH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HO)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.9070	0.000	1	106.9070	0.000	1	108.1568	1.529	24	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(CC[5a]O)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(CC[5a]O)(H){2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.8480	0.000	1	109.2262	0.198	6	108.1568	1.529	24	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(CC[5a]O)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(CC[5a]O)(H){2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	109.3018	0.452	5	109.2262	0.198	6	108.1568	1.529	24	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(CC[6a]O)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(CC[6a]O)(H){2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	109.6330	0.126	2	109.6330	0.016	2	108.1568	1.529	24	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(COO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(COO)(H){2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.3550	0.000	1	108.6393	0.277	7	108.1568	1.529	24	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(COO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(COO)(H){2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	109.4540	0.000	1	108.6393	0.277	7	108.1568	1.529	24	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(COO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(COO)(H){2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.9510	0.000	1	108.6393	0.277	7	108.1568	1.529	24	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(COO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(COO)(H){2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.7093	0.463	3	108.6393	0.277	7	108.1568	1.529	24	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(COO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,1|S<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(COO)(H){2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.5870	0.000	1	108.6393	0.277	7	108.1568	1.529	24	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]O[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(CHO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]O[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(CHO)(H){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.4500	0.000	1	106.4500	0.000	1	108.1568	1.529	24	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]2)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CO)(NOO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]2)(H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CO)(NOO)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	109.1830	0.000	1	109.1830	0.000	1	109.2488	0.700	17	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CO)(NOO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CO)(NOO)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	109.6668	0.266	10	109.6668	0.071	10	109.2488	0.700	17	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.3420	0.240	2	108.3420	0.058	2	109.2488	0.700	17	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(NOO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(NOO)(H){1|F<1>,1|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	108.9580	0.000	1	108.9580	0.000	1	109.2488	0.700	17	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	106.7260	0.000	1	106.7260	0.000	1	109.2488	0.700	17	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H){3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.9890	0.000	1	108.9890	0.000	1	109.2488	0.700	17	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]O[6]S)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(NOO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]O[6]S)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(NOO)(H){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	110.0220	0.000	1	110.0220	0.000	1	109.2488	0.700	17	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:S[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]S[6]CH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(S[6]C[6]OO)(CC[6a]O)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]S[6]CH)(N[6]C[6]H)(H){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(S[6]C[6]OO)(CC[6a]O)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	105.2720	0.000	1	105.2720	0.000	1	107.7420	2.057	7	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:S[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]S[6]CH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(S[6]C[6]OO)(COO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]S[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(S[6]C[6]OO)(COO)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.1730	0.000	1	108.6445	4.331	2	107.7420	2.057	7	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:S[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]S[6]CH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(S[6]C[6]OO)(COO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]S[6]CH)(N[6]C[6]H)(H){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(S[6]C[6]OO)(COO)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	110.1160	0.000	1	108.6445	4.331	2	107.7420	2.057	7	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:S[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]S[6]CH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(S[6]C[6]OO)(COO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]N[6a])(C[6]S[6]CH)(N[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(S[6]C[6]OO)(COO)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	107.9082	0.240	4	107.9082	0.058	4	107.7420	2.057	7	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[4,6]C[6a]H)(C[6]N[5,6]C[6a]H)(C[5]C[5]N[5])(H)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|N<2>,3|C<4>,3|H<1>,6|C<3>}	C[6](C[6]C[4,6]C[6a]H)(C[6]N[5,6]C[6a]H)(C[5]C[5]N[5])(H){1|H<1>,3|C<4>,8|C<3>}	H(C[6]N[5,6]C[6a]C[6])	107.9217	0.974	3	107.9217	0.949	3	107.9217	0.949	3	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:1:	4:	N[6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(COO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCO)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(COO)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCO)(H){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	108.3390	0.079	2	108.3390	0.006	2	108.3390	0.006	2	107.9377	1.362	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:2:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){1|Cl<1>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)(CN){5|C<3>}	H(C[6]C[6a]C[6]2)	107.7850	0.000	1	107.7850	0.000	1	107.7850	0.000	1	107.8940	0.024	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:2:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)2(CC[6a]O)(CN)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]H)(H){1|N<2>,1|S<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)2(CC[6a]O)(CN){1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	108.0030	0.000	1	108.0030	0.000	1	108.0030	0.000	1	107.8940	0.024	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:3:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(COO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]CH)(COO)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(COO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]CH)(COO)2{2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	106.3270	0.000	1	106.3270	0.000	1	106.3270	0.000	1	106.6978	0.574	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(COO)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(COO)2{1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.7950	0.000	1	106.7950	0.000	1	106.7184	0.221	7	106.6978	0.574	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)2(CCO)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)2(CCO)(COO){2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	106.4920	0.011	2	106.4920	0.000	2	106.7184	0.221	7	106.6978	0.574	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)2(CCO)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)2(CCO)2{2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	106.4620	0.000	1	106.4620	0.000	1	106.7184	0.221	7	106.6978	0.574	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.7480	0.000	1	106.9293	0.509	3	106.7184	0.221	7	106.6978	0.574	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)2{1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	106.5200	0.110	2	106.9293	0.509	3	106.7184	0.221	7	106.6978	0.574	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]O[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(COO)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]O[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(COO)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.8110	1.916	2	106.8110	3.672	2	106.8110	3.672	2	106.6978	0.574	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)(NHS)(H)	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[5a,6]C[6]N)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)(NHS)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CHHO)(H){2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]N)	106.2850	0.000	1	106.2850	0.000	1	106.9750	0.952	2	107.2958	3.075	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(NHS)(H)	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[5a,6]C[6]N)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(NHS)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]C[6]N)	107.6650	0.000	1	107.6650	0.000	1	106.9750	0.952	2	107.2958	3.075	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(CCH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]CC)(CCHH)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(CCH)(H){1|C<4>,5|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]CC)(CCHH)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	106.5870	0.703	2	106.5870	0.494	2	106.5870	0.494	2	107.2958	3.075	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(COO)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(PC[6a]2O)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(COO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(PC[6a]2O)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	108.3590	0.000	1	108.3590	0.000	1	108.3590	0.000	1	107.2958	3.075	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	S[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]CH)(CCH)(H)	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]CH)(CCCH)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]CH)(CCH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]CH)(CCCH)(H){4|C<3>}	H(C[6]C[6,6a]C[6]C)	107.9547	0.294	3	107.9547	0.086	3	107.9547	0.086	3	107.2958	3.075	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]H)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]2)	106.7610	0.000	1	106.7610	0.000	1	106.7610	0.000	1	107.2958	3.075	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:N[3,6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[3,6]CH)(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6a]C[6a]H)(N[3,6]C[3,6]O[3]C)(CH3)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[3,6]CH)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(N[3,6]C[3,6]O[3]C)(CH3)(H){1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.7150	0.000	1	107.7150	0.000	1	107.7150	0.000	1	107.2958	3.075	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(NHS)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HN)(CH3)(H)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(NHS)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HN)(CH3)(H){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]N)	107.1570	0.000	1	107.1570	0.000	1	107.1570	0.000	1	107.2958	3.075	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NCH)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]N)	107.5500	0.000	1	107.5500	0.000	1	107.0001	38.447	4	107.2958	3.075	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CHHO)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]N)	102.9387	4.970	2	102.9387	24.700	2	107.0001	38.447	4	107.2958	3.075	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CHHO)(H)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CHHO)(H){2|C<3>}	H(C[6]C[6,6a]C[6]N)	114.5730	0.000	1	114.5730	0.000	1	107.0001	38.447	4	107.2958	3.075	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6,6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(N[6]C[6]2)(H)	C[6](C[6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]2)(CCHH)(H)	H(C[6]C[6,6a]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(N[6]C[6]2)(H){2|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[6](C[6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]2)(CCHH)(H){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6]N[6])	109.0160	0.000	1	109.0160	0.000	1	109.0160	0.000	1	107.2958	3.075	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]C[6]C)(H)	C[6](C[6]C[6,6a]N[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6a]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]C[6]C)(H){2|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6,6a]N[6]H)(C[6]C[6]HH)2(H){1|C<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]N[6])	106.8910	0.124	2	106.1883	1.489	3	106.1883	1.489	3	107.2958	3.075	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]C[6]C)(H)	C[6](C[6]C[6,6a]N[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6a]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]C[6]C)(H){2|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6,6a]N[6]H)(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]N[6])	104.7830	0.000	1	106.1883	1.489	3	106.1883	1.489	3	107.2958	3.075	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(COO)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(COO)(H){2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	108.5530	0.000	1	108.5530	0.000	1	107.8010	0.443	3	107.2958	3.075	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CCO)(H)	C[6](C[6]C[6]CH)2(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CCO)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	107.2890	0.000	1	107.2890	0.000	1	107.8010	0.443	3	107.2958	3.075	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]O)(H)	C[6](C[6]C[6]CH)2(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]O)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	107.5610	0.000	1	107.5610	0.000	1	107.8010	0.443	3	107.2958	3.075	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]BH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(BC[5]HH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]BH)(C[6]C[6]C)(H){1|N<3>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(BC[5]HH)(H){1|C<4>,1|S<4>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.1770	0.000	1	107.1770	0.000	1	107.1770	0.000	1	107.2958	3.075	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHHO)(H){2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.1100	0.000	1	107.1100	0.000	1	107.3456	0.362	7	107.2958	3.075	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CH3)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){2|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CH3)(H){1|C<2>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.2320	0.000	1	108.2320	0.000	1	107.3456	0.362	7	107.2958	3.075	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CH3)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CH3)(H){1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.6200	0.000	1	107.6200	0.000	1	107.3456	0.362	7	107.2958	3.075	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CSi2H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){2|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CSi2H)(H){1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.8980	0.000	1	107.8980	0.000	1	107.3456	0.362	7	107.2958	3.075	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	107.0275	0.203	2	107.0275	0.041	2	107.3456	0.362	7	107.2958	3.075	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)(H){3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	106.5040	0.000	1	106.5040	0.000	1	107.3456	0.362	7	107.2958	3.075	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(CC3)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(CC3)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	105.9970	0.000	1	105.9970	0.000	1	107.2799	1.365	19	107.2958	3.075	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC3)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC3)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.6560	0.000	1	106.6560	0.000	1	107.2799	1.365	19	107.2958	3.075	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	105.1540	0.000	1	105.1540	0.000	1	107.2799	1.365	19	107.2958	3.075	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	105.4610	0.000	1	105.4610	0.000	1	107.2799	1.365	19	107.2958	3.075	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.7655	2.118	2	107.2753	1.025	7	107.2799	1.365	19	107.2958	3.075	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6a]C[6]N[6])	107.2692	0.137	4	107.2753	1.025	7	107.2799	1.365	19	107.2958	3.075	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	108.3190	0.000	1	107.2753	1.025	7	107.2799	1.365	19	107.2958	3.075	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CH)(CC[6a]HH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CH)(CC[6a]HH)(H){2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]N[6])	107.2250	0.280	3	107.2250	0.078	3	107.2799	1.365	19	107.2958	3.075	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.6640	0.000	1	108.6640	0.000	1	107.2799	1.365	19	107.2958	3.075	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	108.0530	0.651	2	108.0530	0.423	2	107.2799	1.365	19	107.2958	3.075	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]O[6]H)(CH3)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|I<1>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]O[6]H)(CH3)(H){1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	108.8390	0.013	2	108.8390	0.000	2	107.2799	1.365	19	107.2958	3.075	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(SC[6a]OO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(SC[6a]OO)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.6150	0.000	1	106.6150	0.000	1	107.3633	0.531	3	107.2958	3.075	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(SC[6a]OO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(SC[6a]OO)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.0710	0.000	1	107.7375	0.222	2	107.3633	0.531	3	107.2958	3.075	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(SC[6a]OO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(SC[6a]OO)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.4040	0.000	1	107.7375	0.222	2	107.3633	0.531	3	107.2958	3.075	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[4,6]C[6a]H)(C[6]N[5,6]C[6a]H)(C[5]C[5]N[5]H)(H)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,3|C<4>,4|H<1>,6|C<3>}	C[6](C[6]C[4,6]C[6a]H)(C[6]N[5,6]C[6a]H)(C[5]C[5]N[5]H)(H){2|H<1>,3|C<4>,8|C<3>}	H(C[6]N[5,6]C[6a]C[6])	106.4230	0.000	1	106.4230	0.000	1	106.4230	0.000	1	107.2958	3.075	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:1:	4:	N[5,6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(NCH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]HN)(CH3)(H)	H(C[6]N[5,6]C[6]N)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(NCH)(H){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]HN)(CH3)(H){4|C<3>}	H(C[6]N[5,6]C[6]N)	108.5800	0.000	1	108.5800	0.000	1	108.5800	0.000	1	107.2958	3.075	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:2:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)(NN)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)(NN){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	106.5160	0.000	1	106.5160	0.000	1	106.7910	0.151	2	107.0055	2.721	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:2:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CH3)(NN)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CH3)(NN){2|C<3>}	H(C[6]C[6,6a]C[6]C)	107.0660	0.000	1	107.0660	0.000	1	106.7910	0.151	2	107.0055	2.721	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:2:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]C)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	105.4450	1.085	3	105.4450	1.178	3	105.4450	1.178	3	107.0055	2.721	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:2:	4:	N[4,6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]CN)(COO)(H)	C[6](C[6]N[4,6]CH)(C[6]S[6]HH)(CH3)(NN)	H(C[6]N[4,6]C[6]C)	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]CN)(COO)(H){1|C<4>,1|O<1>,1|S<4>,3|H<1>}	C[6](C[6]N[4,6]CH)(C[6]S[6]HH)(CH3)(NN){1|C<3>,1|C<4>,2|O<1>}	H(C[6]N[4,6]C[6]C)	108.7090	0.468	3	108.7090	0.219	3	108.7090	0.219	3	107.0055	2.721	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:3:	4:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CC)(NCS)(H)	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CCHH)(CCH)	H(C[6]C[5a,6]C[6]N)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CC)(NCS)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CCHH)(CCH){2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]N)	106.3520	0.000	1	106.3520	0.000	1	106.3520	0.000	1	106.4140	1.293	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:3:	4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CH3)(CCH)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CC)(C[6]C[6]H)(H){1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CH3)(CCH){1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[5a]C[6]2)	105.3090	0.000	1	105.3090	0.000	1	105.3090	0.000	1	106.4140	1.293	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:3:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(NC[6a]H)(H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]CH)(CH3)(NOO)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(NC[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]O[6]CH)(CH3)(NOO){2|C<3>}	H(C[6]C[6,6a]C[6]N)	107.5810	0.000	1	107.5810	0.000	1	107.5810	0.000	1	106.4140	1.293	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:4:	4:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(NC[6a]H)(H)	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CH3)2	H(C[6]C[5a,6]C[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(NC[6a]H)(H){2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[5a,6]C[6]N)	108.0840	0.000	1	108.0840	0.000	1	108.0840	0.000	1	106.4537	0.826	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:4:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5a]N[5a]2)(C[6]C[6]CC)(N[6]C[6]H)(H)	C[6](C[6]C[5a]N[6]H)(C[6]O[6]HH)(CH3)2	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]N[5a]2)(C[6]C[6]CC)(N[6]C[6]H)(H){1|O<2>,2|C<4>,2|N<2>,3|H<1>}	C[6](C[6]C[5a]N[6]H)(C[6]O[6]HH)(CH3)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>}	H(C[6]C[5a]C[6]N[6])	106.0255	0.173	2	106.0255	0.030	2	106.0255	0.030	2	106.4537	0.826	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	106.4465	0.241	2	106.4465	0.058	2	106.3937	0.031	4	106.4537	0.826	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]S[6]HH)(CCHH)(CH3)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H){1|S<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]S[6]HH)(CCHH)(CH3){1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	106.3410	0.158	2	106.3410	0.025	2	106.3937	0.031	4	106.4537	0.826	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	104.9010	0.000	1	104.9010	0.000	1	106.1865	3.305	2	106.4537	0.826	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:3:1:	4:4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CH)(CC[6a]HH)(CH3)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CH)(CC[6a]HH)(CH3){2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]N[6])	107.4720	0.000	1	107.4720	0.000	1	106.1865	3.305	2	106.4537	0.826	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	2:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(CH3)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(CH3)(H){4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{3|C<3>}	H(C[6]C[6]2C)	108.6563	0.243	3	108.6563	0.059	3	107.0209	9.561	8	107.2191	5.133	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	2:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[5a]HH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[5a]HH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2C)	107.8705	0.047	2	107.8705	0.002	2	107.0209	9.561	8	107.2191	5.133	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	2:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]HH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]HH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2C)	103.3306	5.431	2	103.3306	29.498	2	107.0209	9.561	8	107.2191	5.133	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	2:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CHHP)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CHHP)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2C)	107.7960	0.000	1	107.7960	0.000	1	107.0209	9.561	8	107.2191	5.133	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	2:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]S[6]HH)(CCHN)(H)	C[6](S[6]C[6,6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C)(C[6]S[6]HH)(CCHN)(H){2|C<3>}	C[6](S[6]C[6,6a])(C[6]C[6]CH)(H)2{3|C<3>}	H(C[6]C[6]2C)	107.5125	0.257	2	107.5125	0.066	2	107.3506	0.488	5	107.2191	5.133	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	2:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]S[6]HH)(CC[6a]CH)(H)	C[6](S[6]C[6,6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C)(C[6]S[6]HH)(CC[6a]CH)(H){2|C<3>}	C[6](S[6]C[6,6a])(C[6]C[6]CH)(H)2{3|C<3>}	H(C[6]C[6]2C)	107.8370	0.000	1	107.8370	0.000	1	107.3506	0.488	5	107.2191	5.133	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	2:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6])(C[6]S[6]HH)(CH3)(H)	C[6](S[6]C[6,6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[6])(C[6]S[6]HH)(CH3)(H){4|C<3>}	C[6](S[6]C[6,6a])(C[6]C[6]CH)(H)2{3|C<3>}	H(C[6]C[6]2C)	106.9455	1.126	2	106.9455	1.269	2	107.3506	0.488	5	107.2191	5.133	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	2:4:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(CC[6a]HH)(H)	C[6](O[6]C[6,6a])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(CC[6a]HH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]N[6]CH)(H)2{3|C<3>}	H(C[6]C[6]N[6]C)	108.7200	0.000	1	108.7200	0.000	1	107.6835	2.149	2	107.2191	5.133	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	2:4:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]O[6]HH)(CCCO)(H)	C[6](O[6]C[6,6a])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]S)(C[6]O[6]HH)(CCCO)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]N[6]CH)(H)2{1|S<4>,2|C<3>}	H(C[6]C[6]N[6]C)	106.6470	0.000	1	106.6470	0.000	1	107.6835	2.149	2	107.2191	5.133	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	2:4:3:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CCHH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CCHH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCH)(H){1|O<1>,2|C<3>}	H(C[6]C[6]2C)	108.5160	0.000	1	108.5160	0.000	1	108.5160	0.000	1	108.5160	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	2:4:3:3:	4:	N[6]-3:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:C-3:C-3:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]O[6]CC)(CCHH)(H)	C[6](O[6]C[6,6a])(C[6]N[6]CH)(COO)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]S)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]N[6]CH)(COO)2{1|S<4>,2|C<3>}	H(C[6]C[6]N[6]C)	109.2800	0.000	1	109.2800	0.000	1	109.2800	0.000	1	109.2800	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	2:4:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CCHO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CC3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CCHO)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CC3)(H){1|O<1>,2|C<3>}	H(C[6]C[6]2C)	107.7000	0.000	1	107.7000	0.000	1	107.8383	0.172	4	107.6068	0.126	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	2:4:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CH3)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CH3)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CH3)(H){1|O<1>,2|C<3>}	H(C[6]C[6]2C)	107.8843	0.496	3	107.8843	0.246	3	107.8383	0.172	4	107.6068	0.126	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	2:4:4:1:	4:	C[6]-3:C[6]-4:S-4:H-1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(SC[6a]OO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CF3)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(SC[6a]OO)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CF3)(H){1|O<1>,2|C<3>}	H(C[6]C[6]2S)	107.3793	0.197	3	107.3793	0.039	3	107.3793	0.039	3	107.6068	0.126	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	2:4:4:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	S[6]-2:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]S[6]CH)(CCHH)(H)	C[6](S[6]C[6,6a])(C[6]N[6]CH)(CCHH)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]S)(C[6]S[6]CH)(CCHH)(H){2|C<3>}	C[6](S[6]C[6,6a])(C[6]N[6]CH)(CCHH)(H){1|S<4>,2|C<3>}	H(C[6]C[6]N[6]C)	107.4850	0.112	2	107.4850	0.012	2	107.4850	0.012	2	107.6068	0.126	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	C[5,6]-3:C[6]-4:Si-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(SiC3)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]SiH)(H)2	H(C[6]C[5,6]C[6]Si)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(SiC3)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]SiH)(H)2{1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[5,6]C[6]Si)	107.4560	0.000	1	107.4560	0.000	1	107.4560	0.000	1	107.6946	1.230	51	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	C[5,6]-3:C[6]-4:Si-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(SiC3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]SiH)(H)2	H(C[6]C[5,6]C[6]Si)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(SiC3)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]SiH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]Si)	107.7360	0.000	1	107.7360	0.000	1	107.7360	0.000	1	107.6946	1.230	51	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5,6a]C[5])(C[6]C[6,6a]HH)(C[6]C[6]HW)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]C[5])(C[6]C[6,6a]HH)(C[6]C[6]HW)(H){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(H)2{1|C<4>,1|W<7>,2|H<1>,4|C<3>}	H(C[6]C[5]C[6]2)	108.2190	0.000	1	108.2190	0.000	1	108.2190	0.000	1	107.6946	1.230	51	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]CH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(CH3)(H){5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]CH)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]C)	108.0690	0.000	1	108.0690	0.000	1	108.0690	0.000	1	107.6946	1.230	51	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CCHH)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	108.0730	0.000	1	107.9750	0.019	2	107.9750	0.019	2	107.6946	1.230	51	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CCHH)(H){1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	107.8770	0.000	1	107.9750	0.019	2	107.9750	0.019	2	107.6946	1.230	51	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[3,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[3,6]O)(C[6]C[6]CH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2C)	107.9950	0.000	1	107.9950	0.000	1	107.3816	2.778	5	107.6946	1.230	51	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CF3)(H)	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CF3)(H){1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2{3|C<3>}	H(C[6]C[6]2C)	107.8240	0.000	1	107.9875	0.053	2	107.3816	2.778	5	107.6946	1.230	51	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CF3)(H)	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CF3)(H){1|N<3>,1|O<1>,1|S<2>}	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2{3|C<3>}	H(C[6]C[6]2C)	108.1510	0.000	1	107.9875	0.053	2	107.3816	2.778	5	107.6946	1.230	51	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2C)	108.5040	0.000	1	108.5040	0.000	1	107.3816	2.778	5	107.6946	1.230	51	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(H)2{1|O<1>,2|N<3>}	H(C[6]C[6]2C)	104.4340	0.000	1	104.4340	0.000	1	107.3816	2.778	5	107.6946	1.230	51	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CC[6a]HH)(H)	C[6](N[6]C[6,6]S)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6](N[6]C[6,6]S)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.4040	0.000	1	107.4040	0.000	1	108.1165	1.015	2	107.6946	1.230	51	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CHHO)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CHHO)(H){1|C<3>,2|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.8290	0.000	1	108.8290	0.000	1	108.1165	1.015	2	107.6946	1.230	51	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	Se[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]Se[6]HH)(CC[6a]HO)(H)	C[6](Se[6]C[6,6a]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]O)(C[6]Se[6]HH)(CC[6a]HO)(H){1|C<4>,2|C<3>}	C[6](Se[6]C[6,6a]C)(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2C)	105.7715	0.226	2	105.7715	0.051	2	105.7715	0.051	2	107.6946	1.230	51	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]HH)(C[6]C[6]CO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]HH)(C[6]C[6]CO)(H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|H<1>,1|O<2>,6|C<3>}	H(C[6]C[6a]C[6]2)	106.4700	0.000	1	106.4700	0.000	1	106.8920	0.356	2	107.6946	1.230	51	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.3140	0.000	1	107.3140	0.000	1	106.8920	0.356	2	107.6946	1.230	51	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[5a,6]HH)(CHHO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]CH)(H)2	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[5a,6]HH)(CHHO)(H){1|O<1>,2|C<3>,3|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]N[5,6]C[6]C)	104.8060	0.000	1	104.8060	0.000	1	107.0853	3.897	3	107.6946	1.230	51	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(CHHO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]CH)(H)2	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(CHHO)(H){1|O<1>,2|C<3>,3|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]N[5,6]C[6]C)	108.2250	0.007	2	108.2250	0.000	2	107.0853	3.897	3	107.6946	1.230	51	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CCCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CCCH)(H){1|Cl<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2{1|H<1>,4|C<3>}	H(C[6]N[5,6]C[6]C)	107.0365	0.037	2	107.0365	0.001	2	107.7444	1.257	8	107.6946	1.230	51	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CC[6a]2O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CC[6a]2O)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2{1|H<1>,4|C<3>}	H(C[6]N[5,6]C[6]C)	106.9950	0.000	1	106.9950	0.000	1	107.7444	1.257	8	107.6946	1.230	51	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CHHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CHHO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]C)	108.2900	0.000	1	107.6765	0.426	4	107.7444	1.257	8	107.6946	1.230	51	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CHHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CHHO)(H){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]C)	107.4720	0.623	3	107.6765	0.426	4	107.7444	1.257	8	107.6946	1.230	51	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(CCHH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]C)	110.1810	0.000	1	110.1810	0.000	1	107.7444	1.257	8	107.6946	1.230	51	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	N[5a,6]-3:C[6]-4:C-4:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(CCHH)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]CH)(H)2	H(C[6]N[5a,6]C[6]C)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(CCHH)(H){1|N<2>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]CH)(H)2{5|C<3>}	H(C[6]N[5a,6]C[6]C)	108.4310	0.000	1	108.4310	0.000	1	108.4310	0.000	1	107.6946	1.230	51	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]N[5a]C[6]H)(H)2	H(C[6]N[5a]C[6]2)	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[5a]C[6]H)(H)2{1|C<3>,1|N<2>,3|H<1>,4|C<4>}	H(C[6]N[5a]C[6]2)	107.4430	0.535	2	107.4430	0.286	2	107.4430	0.286	2	107.6946	1.230	51	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6a]ClH)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a]C[6]H)(Cl)(H)	H(C[6]N[5a]C[6]2)	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6a]ClH)(C[6]C[6]HH)(H){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a]C[6]H)(Cl)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(C[6]N[5a]C[6]2)	108.6410	0.000	1	108.6410	0.000	1	108.6410	0.000	1	107.6946	1.230	51	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]CH)(H)2	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]N[6,6]C[6]C)	107.5567	1.800	4	107.5697	1.665	8	107.5697	1.665	8	107.6946	1.230	51	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]CH)(H)2	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]CH)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[6]N[6,6]C[6]C)	107.5828	0.804	4	107.5697	1.665	8	107.5697	1.665	8	107.6946	1.230	51	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6,6a]HH)(CHHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]CH)(H)2	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6,6a]HH)(CHHO)(H){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[6,6]C[6]C)	107.9870	0.000	1	107.9870	0.000	1	107.9110	0.012	2	107.6946	1.230	51	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(CHHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]CH)(H)2	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(CHHO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[6,6]C[6]C)	107.8350	0.000	1	107.8350	0.000	1	107.9110	0.012	2	107.6946	1.230	51	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	N[6,6a]-3:C[6]-4:C-4:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(CCHH)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]CH)(H)2	H(C[6]N[6,6a]C[6]C)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(CCHH)(H){1|N<2>,1|O<1>,3|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]CH)(H)2{5|C<3>}	H(C[6]N[6,6a]C[6]C)	107.6960	0.000	1	107.6960	0.000	1	107.6960	0.000	1	107.6946	1.230	51	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[4,6,6]C)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[4,6]O)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[4,6,6]C)(C[6]C[6]HH)(CCHH)(H){1|O<1>,3|C<4>}	C[6](C[6]C[4,6]O)(C[6]N[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]C)	109.4370	0.000	1	109.4370	0.000	1	108.2908	0.567	5	107.6946	1.230	51	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,1|S<4>}	H(C[6]C[6]N[6]C)	107.6140	0.076	2	107.6140	0.006	2	108.2908	0.567	5	107.6946	1.230	51	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]O)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6,6]O)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]C)	108.3210	0.000	1	108.3210	0.000	1	108.2908	0.567	5	107.6946	1.230	51	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6,6]O)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6,6]O)(C[6]N[6]CH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]N[6]C)	108.4680	0.000	1	108.4680	0.000	1	108.2908	0.567	5	107.6946	1.230	51	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(CCHH)(H)	C[6](N[6]C[6,6a]S)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(CCHH)(H){1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]S)(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]N[6]C)	109.0070	0.000	1	109.0070	0.000	1	108.6097	0.390	3	107.6946	1.230	51	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(CSiHH)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(CSiHH)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]N[6]C)	108.9320	0.000	1	108.9320	0.000	1	108.6097	0.390	3	107.6946	1.230	51	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(CH3)(H)	C[6](N[6]C[5a]C[6])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[6](N[6]C[5a]C[6])(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	H(C[6]C[6]N[6]C)	107.8900	0.000	1	107.8900	0.000	1	108.6097	0.390	3	107.6946	1.230	51	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:2:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CH)(CCHH)(H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]CH)(CN)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CH)(CCHH)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]CH)(CN)(H){2|C<3>,2|N<2>}	H(C[6]C[6,6a]C[6]C)	107.3730	0.000	1	107.3730	0.000	1	107.3730	0.000	1	107.9425	0.275	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:2:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CCHH)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]CH)(OH)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CCHH)(H){5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]CH)(OH)(H){1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	108.2045	0.602	2	108.2045	0.362	2	108.1323	0.197	3	107.9425	0.275	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:2:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CH3)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]CH)(OH)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CH3)(H){1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]CH)(OH)(H){5|C<3>}	H(C[6]C[6,6a]C[6]C)	107.9880	0.000	1	107.9880	0.000	1	108.1323	0.197	3	107.9425	0.275	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:3:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(CHHO)(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(CHHO)(H){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H){1|H<1>,1|O<1>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	109.0650	0.000	1	109.0650	0.000	1	109.0650	0.000	1	109.0650	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:4:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]2)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]2)	108.1765	0.067	2	108.1765	0.005	2	106.6970	3.769	4	107.3573	1.680	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:4:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6]H)(C[6]O[6]CH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6]H)(C[6]O[6]CH)(H)	H(C[6]C[6,6]C[6]2)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6]H)(C[6]O[6]CH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6]H)(C[6]O[6]CH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]2)	105.2175	1.596	2	105.2175	2.547	2	106.6970	3.769	4	107.3573	1.680	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:4:1:	4:	C[6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]2)	107.8392	0.734	4	107.8392	0.539	4	107.4927	1.028	10	107.3573	1.680	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:4:1:	4:	C[6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	H(C[6]C[6,6a]C[6]2)	106.0360	0.000	1	107.2617	1.367	6	107.4927	1.028	10	107.3573	1.680	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:4:1:	4:	C[6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H){1|O<2>,2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H){1|O<2>,2|H<1>,8|C<3>}	H(C[6]C[6,6a]C[6]2)	107.5068	1.121	5	107.2617	1.367	6	107.4927	1.028	10	107.3573	1.680	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:4:1:	4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[6]C[6]3)	106.4775	0.272	2	106.4775	0.074	2	106.4775	0.074	2	107.3573	1.680	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:4:1:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[5]C[5,6a]C[5])(C[6]C[6]N[5]H)(C[6]C[6]HH)(H)	C[6](N[5]C[5,6a]C[5])(C[6]C[6]N[5]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2N[5])	C[6](N[5]C[5,6a]C[5])(C[6]C[6]N[5]H)(C[6]C[6]HH)(H){1|Pd<4>,1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](N[5]C[5,6a]C[5])(C[6]C[6]N[5]H)(C[6]C[6]HH)(H){1|Pd<4>,1|C<4>,1|N<3>,4|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	107.2260	1.420	2	107.2260	2.016	2	108.1190	1.831	4	107.3573	1.680	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:4:1:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[5]C[5,6a]Se[5])(C[6]C[6]N[5]H)(C[6]C[6]HH)(H)	C[6](N[5]C[5,6a]Se[5])(C[6]C[6]N[5]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2N[5])	C[6](N[5]C[5,6a]Se[5])(C[6]C[6]N[5]H)(C[6]C[6]HH)(H){1|Se<2>,1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6](N[5]C[5,6a]Se[5])(C[6]C[6]N[5]H)(C[6]C[6]HH)(H){1|Se<2>,1|C<4>,1|N<2>,3|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	109.0120	0.535	2	109.0120	0.286	2	108.1190	1.831	4	107.3573	1.680	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:4:4:	4:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5]C[5,6a]C[5])(C[6]C[5,6]CC)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5]C[6]H)(CH3)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]C[5])(C[6]C[5,6]CC)(C[6]C[6]CC)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[5]C[6]H)(CH3)2{2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[5]C[6]2)	103.8360	0.000	1	103.8360	0.000	1	103.8360	0.000	1	106.0865	2.707	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:4:4:	4:	C[6,6a]-3:C[5]-4:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]O)(C[6]C[5a,6]CC)(H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6,6a]C[5]H)(CH3)2	H(C[6]C[6,6a]C[5]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]O)(C[6]C[5a,6]CC)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6,6a]C[5]H)(CH3)2{1|N<2>,2|O<2>,5|C<3>}	H(C[6]C[6,6a]C[5]C[6])	107.6510	0.000	1	107.6510	0.000	1	107.6510	0.000	1	106.0865	2.707	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:4:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(CCCN)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]CH)(CC[6a]HO)(CH3)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(CCCN)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]CH)(CC[6a]HO)(CH3){1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	105.9970	0.000	1	105.9970	0.000	1	105.9970	0.000	1	106.0865	2.707	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	3:4:4:4:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C)(C[6]C[6]CC)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	106.8620	0.000	1	106.8620	0.000	1	106.8620	0.000	1	106.0865	2.707	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:2:1:1:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6])(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6])(C[6]O[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(H)2{3|C<3>}	H(C[6]C[6,6]C[6]C)	108.2370	0.277	2	108.2370	0.077	2	108.2370	0.077	2	108.3339	0.747	45	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:2:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]CH)(O[6]C[6,6])(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]HH)(CH3)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(O[6]C[6,6])(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]C)	108.2912	0.345	4	108.1753	0.104	6	108.1753	0.104	6	108.3339	0.747	45	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:2:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]CH)(O[6]C[6,6])(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]HH)(CH3)(H){1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]CH)(O[6]C[6,6])(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]C)	107.9435	0.018	2	108.1753	0.104	6	108.1753	0.104	6	108.3339	0.747	45	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:2:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(CCCS)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(CCCS)(H){1|C<4>,1|S<4>,2|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2C)	106.4080	0.000	1	106.4080	0.000	1	106.4080	0.000	1	108.3339	0.747	45	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:2:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.3093	0.260	3	107.5865	0.352	4	107.6688	0.149	12	108.3339	0.747	45	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:2:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]HH)(H){3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	108.4180	0.000	1	107.5865	0.352	4	107.6688	0.149	12	108.3339	0.747	45	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:2:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)2(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.4582	0.036	4	107.4582	0.001	4	107.6688	0.149	12	108.3339	0.747	45	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:2:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(O[6]P[6,6])(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)2(H){1|P<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(O[6]P[6,6])(H)2{1|O<2>,2|C<3>,2|H<1>,2|N<2>}	H(C[6]C[6a]C[6]2)	107.8745	0.064	2	107.8745	0.004	2	107.6688	0.149	12	108.3339	0.747	45	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:2:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]O[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]N[6a])(C[6]O[6]HH)2(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	H(C[6]C[6a]C[6]2)	108.0490	0.006	2	108.0490	0.000	2	107.6688	0.149	12	108.3339	0.747	45	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:2:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]S[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(S[6]C[6])(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]N[6a])(C[6]S[6]HH)2(H){1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(S[6]C[6])(H)2{1|C<3>,1|N<2>,1|S<1>,1|S<2>,2|H<1>}	H(C[6]C[6a]C[6]2)	109.2640	0.143	3	109.2640	0.020	3	109.2640	0.020	3	108.3339	0.747	45	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:2:1:1:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(CCCH)(H)	C[6](C[6]N[5,6]CH)(O[6]C[6])(H)2	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(CCCH)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]N[5,6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]N[5,6]C[6]C)	108.1570	0.000	1	108.1570	0.000	1	109.6263	1.632	3	108.3339	0.747	45	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:2:1:1:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]O[5])(C[6]O[6]HH)(CH3)(H)	C[6](C[6]N[5,6]CH)(O[6]C[6])(H)2	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]O[5])(C[6]O[6]HH)(CH3)(H){1|C<3>,3|C<4>}	C[6](C[6]N[5,6]CH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,1|O<2>}	H(C[6]N[5,6]C[6]C)	110.4720	0.000	1	110.3610	0.025	2	109.6263	1.632	3	108.3339	0.747	45	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:2:1:1:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]O[5])(C[6]O[6]HH)(CH3)(H)	C[6](C[6]N[5,6]CH)(O[6]C[6])(H)2	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]O[5])(C[6]O[6]HH)(CH3)(H){4|C<3>}	C[6](C[6]N[5,6]CH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,1|O<2>}	H(C[6]N[5,6]C[6]C)	110.2500	0.000	1	110.3610	0.025	2	109.6263	1.632	3	108.3339	0.747	45	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:2:1:1:	4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(CC[6a]HH)(H)	C[6](C[6]N[6,6]CH)(O[6]C[6])(H)2	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(CC[6a]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]N[6,6]CH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]C)	107.3915	0.247	2	107.4203	0.033	3	107.4203	0.033	3	108.3339	0.747	45	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:2:1:1:	4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(CC[6a]HH)(H)	C[6](C[6]N[6,6]CH)(O[6]C[6])(H)2	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(CC[6a]HH)(H){3|C<4>,3|H<1>}	C[6](C[6]N[6,6]CH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]C)	107.4780	0.000	1	107.4203	0.033	3	107.4203	0.033	3	108.3339	0.747	45	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:2:1:1:	4:	N[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]O[6]HH)(CH3)(H)	C[6](C[6]N[6,6a]CH)(O[6]C[6,6a])(H)2	H(C[6]N[6,6a]C[6]C)	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]O[6]HH)(CH3)(H){1|H<1>,3|C<3>}	C[6](C[6]N[6,6a]CH)(O[6]C[6,6a])(H)2{3|C<3>}	H(C[6]N[6,6a]C[6]C)	108.6716	0.553	12	108.6716	0.306	12	108.6716	0.306	12	108.3339	0.747	45	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[3x6]H)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[3x6]H)(C[6]O[6]HH)(CH3)(H){3|C<4>}	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	109.5810	0.000	1	109.5810	0.000	1	109.3577	0.037	3	108.3339	0.747	45	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:2:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(CCHH)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]N[6]C)	109.2460	0.000	2	109.2460	0.000	2	109.3577	0.037	3	108.3339	0.747	45	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:2:3:1:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:S[6]-2:C-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]S[6]CH)(CH3)(H)	C[6](C[6]C[5a,6]CH)(S[6]C[6,6a])(COO)(H)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]S[6]CH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]CH)(S[6]C[6,6a])(COO)(H){3|C<3>}	H(C[6]C[5a,6]C[6]C)	106.5920	0.000	1	106.5920	0.000	1	106.5920	0.000	1	107.8843	0.810	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:2:3:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CCCH)(H)	C[6](C[6]C[6,6a]CH)(O[6]C[6])(COO)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CCCH)(H){1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]CH)(O[6]C[6])(COO)(H){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	108.5150	0.000	1	108.5150	0.000	1	108.5150	0.000	1	107.8843	0.810	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:2:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:S[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]S[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(S[6]C[6])(CC[6a]O)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]S[6]CH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(S[6]C[6])(CC[6a]O)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.9470	0.000	1	107.9470	0.000	1	108.2150	0.144	2	107.8843	0.810	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:2:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:S[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(S[6]C[6])(CC[6a]O)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]CH)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(S[6]C[6])(CC[6a]O)(H){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.4830	0.000	1	108.4830	0.000	1	108.2150	0.144	2	107.8843	0.810	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:2:4:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6]H)(C[6]O[6]CH)(H)	C[6](C[6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H)	H(C[6]C[6,6]C[6]2)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6]H)(C[6]O[6]CH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[6](C[6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]2)	107.7960	4.455	2	107.7960	19.845	2	107.7960	19.845	2	107.9430	2.996	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:2:4:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6,6a]CH)(O[6]C[6,6])(CH3)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]CH)(CH3)(H){2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]CH)(O[6]C[6,6])(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	107.1900	0.000	1	107.1900	0.000	1	107.8423	0.319	3	107.9430	2.996	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:2:4:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6,6a]CH)(O[6]C[6])(CH3)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CH3)(H){1|C<4>,3|C<3>}	C[6](C[6]C[6,6a]CH)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	108.1685	0.008	2	108.1685	0.000	2	107.8423	0.319	3	107.9430	2.996	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:2:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[5,6])(CCCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]O)(C[6]O[6]CH)(CH3)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[5,6])(CCCH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2C)	108.3640	0.000	2	108.3640	0.000	2	108.3640	0.000	2	107.9430	2.996	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:2:4:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCHH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]CH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCHH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.6970	0.000	1	107.6970	0.000	1	107.6970	0.000	1	107.9430	2.996	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:2:4:2:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CO)(CH3)(H)	C[6](C[6]C[6,6a]CH)(O[6]C[6])(CH3)(OH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CO)(CH3)(H){1|C<4>,3|C<3>}	C[6](C[6]C[6,6a]CH)(O[6]C[6])(CH3)(OH){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	107.9620	0.000	1	107.9620	0.000	1	107.9620	0.000	1	107.9620	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[5,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[6]HH)2(H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]2)	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]2)	107.6677	0.220	4	107.6677	0.048	4	107.6677	0.048	4	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5a,6]CH)(C[6]N[6]O)(H)2	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6]C[5a,6]CH)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	H(C[6]C[5a,6]C[6]C)	108.3440	0.240	3	108.3440	0.058	3	108.2828	0.598	5	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5a,6]CH)(C[6]N[6]O)(H)2	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CH3)(H){1|N<2>,1|O<1>,3|N<3>}	C[6](C[6]C[5a,6]CH)(C[6]N[6]O)(H)2{1|H<1>,2|C<3>}	H(C[6]C[5a,6]C[6]C)	109.2510	0.000	1	109.2510	0.000	1	108.2828	0.598	5	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]C)	107.1310	0.000	1	107.1310	0.000	1	108.2828	0.598	5	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(CHHP)(H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(H)2	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(CHHP)(H){1|C<2>,1|C<4>,3|C<3>}	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[5a,6]C[6]C)	108.6940	0.000	1	108.6940	0.000	1	108.3287	0.877	4	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCHH)(H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCHH)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]C)	107.9930	0.000	1	107.9930	0.000	1	108.3287	0.877	4	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CF3)(H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CF3)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2{1|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]C)	107.2220	0.000	1	107.2220	0.000	1	108.3287	0.877	4	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CHHN)(H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CHHN)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]C)	109.4060	0.000	1	109.4060	0.000	1	108.3287	0.877	4	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CO)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[5a]C[6]2)	106.7490	0.000	1	106.7490	0.000	1	107.2276	0.751	8	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]OO)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]OO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[5a]C[6]2)	106.6590	0.000	1	106.6590	0.000	1	107.2276	0.751	8	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|C<2>}	H(C[6]C[5a]C[6]2)	107.3240	0.000	1	107.3240	0.000	1	107.2276	0.751	8	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5a]C[6]2)	107.5180	0.000	1	107.5180	0.000	1	107.2276	0.751	8	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a]C[6]2)	107.9290	0.000	1	107.9290	0.000	1	107.2276	0.751	8	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(C[6]C[5a]C[6]2)	108.0405	0.134	2	108.0405	0.018	2	107.2276	0.751	8	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	H(C[6]C[5a]C[6]2)	105.5610	0.000	1	105.5610	0.000	1	107.2276	0.751	8	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HW)(C[6]N[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]H)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HW)(C[6]N[6]HH)(H){3|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|W<7>}	H(C[6]C[5a]C[6]2)	108.0770	0.000	1	108.0770	0.000	1	107.3917	0.372	3	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(C[6]C[5a]C[6]2)	107.0490	0.197	2	107.0490	0.039	2	107.3917	0.372	3	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6,6]C[6]C)	108.2730	0.232	2	108.2730	0.054	2	107.8513	0.560	3	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[5,6]H)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[5,6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]C)	107.0080	0.000	1	107.0080	0.000	1	107.8513	0.560	3	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC3)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC3)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	106.1035	0.371	2	106.1035	0.138	2	106.7762	10.739	12	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	108.1960	0.000	1	108.1960	0.000	1	106.7762	10.739	12	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]O)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	108.8930	0.000	1	108.8930	0.000	1	106.7762	10.739	12	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	108.0105	0.179	2	108.0105	0.032	2	106.7762	10.739	12	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	108.3980	0.000	1	108.3980	0.000	1	106.7762	10.739	12	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(H)2{2|C<3>}	H(C[6]C[6,6a]C[6]C)	107.4380	0.000	1	107.4380	0.000	1	106.7762	10.739	12	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	107.2760	0.000	1	107.2760	0.000	1	106.7762	10.739	12	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(H)2{2|C<3>}	H(C[6]C[6,6a]C[6]C)	108.2050	0.000	1	108.2050	0.000	1	106.7762	10.739	12	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	107.9430	0.000	1	107.9430	0.000	1	106.7762	10.739	12	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(H)2{2|C<3>}	H(C[6]C[6,6a]C[6]C)	96.7369	0.000	1	96.7369	0.000	1	106.7762	10.739	12	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CBrCH)(H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CBrCH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	106.9810	0.000	1	106.9810	0.000	1	108.2552	0.746	9	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	108.4880	0.000	1	108.4880	0.000	1	108.2552	0.746	9	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(N[6]S[6]H)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(H){1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(N[6]S[6]H)(H)2{2|C<3>,2|O<1>}	H(C[6]C[6,6a]C[6]C)	106.8850	0.000	1	106.8850	0.000	1	108.2552	0.746	9	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[3]HH)(H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[3]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	109.5690	0.000	1	109.5690	0.000	1	108.2552	0.746	9	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]HH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	108.0560	0.000	1	108.0560	0.000	1	108.2552	0.746	9	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CHHS)(H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]O)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CHHS)(H){1|Cl<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]CH)(N[6]C[6]O)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	108.1930	0.000	1	108.1930	0.000	1	108.2552	0.746	9	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(CHHI)(H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]S)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(CHHI)(H){1|C<4>,1|S<4>,3|C<3>}	C[6](C[6]C[6,6a]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	108.7083	0.113	3	108.7083	0.013	3	108.2552	0.746	9	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(S[6]N[6]O)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCHH)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(S[6]N[6]O)(H)2{2|C<3>}	H(C[6]C[6,6a]C[6]C)	107.6060	0.000	1	107.6060	0.000	1	107.6060	0.000	1	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(H)2	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]2)	109.3773	0.294	3	109.3773	0.087	3	109.3773	0.087	3	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6,6a]-3:C[6]-4:N-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(NCHH)(H)	C[6](C[6]C[6,6a]HN)(N[6]S[6]H)(H)2	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(NCHH)(H){1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HN)(N[6]S[6]H)(H)2{2|C<3>,2|O<1>}	H(C[6]C[6,6a]C[6]N)	107.3900	0.274	2	107.3900	0.075	2	107.3900	0.075	2	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6]-3:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6])(C[5]C[5]2Fe)(C[6]C[6]HH)(H)	C[6](C[6]C[5]C[6]H)(C[6]N[6]H)(H)2	H(C[6]C[5]C[6]2)	C[6](C[6]C[6]N[6])(C[5]C[5]2Fe)(C[6]C[6]HH)(H){1|Re<6>,1|C<3>,1|N<2>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]N[6]H)(H)2{1|Fe<10>,1|C<3>,1|N<3>,2|C<4>}	H(C[6]C[5]C[6]2)	109.0790	0.000	1	109.0790	0.000	1	109.0790	0.000	1	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6]-3:C[5]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[5]C[5]2H)(C[6]N[6]HH)(H)	C[6](C[6]C[5]C[6]H)(N[6]C[6,6a]S)(H)2	H(C[6]C[5]C[6]2)	C[6](C[6]C[6,6a]O)(C[5]C[5]2H)(C[6]N[6]HH)(H){1|N<3>,1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5]C[6]H)(N[6]C[6,6a]S)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[5]C[6]2)	108.6810	0.000	1	108.6810	0.000	1	108.6810	0.000	1	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2C)	108.6720	0.000	1	108.6720	0.000	1	108.7867	0.012	3	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CH3)(H){1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[6]2C)	108.8440	0.061	2	108.8440	0.004	2	108.7867	0.012	3	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CCCN)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CCCN)(H){1|C<4>,2|C<3>,2|S<4>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2C)	106.4000	0.000	1	106.4000	0.000	1	107.0592	2.060	4	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CClCC)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CClCC)(H){1|S<4>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2C)	105.3470	0.000	1	105.3470	0.000	1	107.0592	2.060	4	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CH3)(H){1|B<4>,1|C<4>,1|S<4>,2|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.2130	0.000	1	108.2130	0.000	1	107.0592	2.060	4	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CHHN)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CHHN)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.2770	0.000	1	108.2770	0.000	1	107.0592	2.060	4	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(F)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HO)(H){1|F<1>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(F)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	107.7740	0.000	1	107.7740	0.000	1	107.7740	0.000	1	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<2>,3|C<3>}	H(C[6]C[6a]C[6]2)	106.1950	0.000	1	106.4557	0.137	3	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<2>,3|C<3>}	H(C[6]C[6a]C[6]2)	106.5860	0.416	2	106.4557	0.137	3	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.7840	0.000	1	105.9027	1.027	4	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,5|C<3>}	H(C[6]C[6a]C[6]2)	105.6090	1.012	3	105.9027	1.027	4	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|F<1>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	106.9640	0.000	1	106.6395	0.211	2	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|F<1>,1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.3150	0.000	1	106.6395	0.211	2	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]C[6])(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|Cl<1>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]C[6])(H)2{1|N<2>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.7090	0.000	1	107.5997	0.019	3	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]C[6])(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]C[6])(H)2{1|N<3>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.6470	0.000	1	107.5997	0.019	3	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]C[6])(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]C[6])(H)2{1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.4430	0.000	1	107.5997	0.019	3	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.6235	0.374	2	107.9195	0.249	4	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.2155	0.506	2	107.9195	0.249	4	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.3960	0.000	1	106.7558	1.431	4	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.9700	0.000	1	106.7558	1.431	4	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	105.2410	0.000	1	106.7558	1.431	4	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.4160	0.000	1	106.7558	1.431	4	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|Cl<1>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2{2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	107.6530	0.000	1	107.1352	1.562	12	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2{2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	107.0881	1.300	11	107.1352	1.562	12	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H){3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6a]C[6]2)	106.5870	0.488	2	106.5870	0.238	2	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	105.6655	0.679	4	105.7285	0.299	6	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	105.8545	0.251	2	105.7285	0.299	6	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6a]C[6]2)	105.1375	0.479	2	105.1375	0.229	2	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	107.7677	0.847	3	107.8492	0.505	4	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	108.0940	0.000	1	107.8492	0.505	4	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6a]C[6]2)	106.7390	1.721	5	106.7390	2.961	5	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.9130	0.000	1	107.9568	0.161	5	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.9677	0.462	4	107.9568	0.161	5	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	107.3000	0.000	1	107.3000	0.000	1	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HS)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HS)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2{1|S<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.6530	0.045	2	107.6530	0.002	2	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]OO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]OO)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6a]C[6]2)	107.4720	0.000	1	107.4720	0.000	1	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	105.7590	0.000	1	106.4820	1.045	2	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.2050	0.000	1	106.4820	1.045	2	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.0680	0.793	2	105.0655	20.783	5	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.0370	0.000	1	105.0655	20.783	5	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	96.9423	0.000	1	105.0655	20.783	5	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]2)	107.2120	0.000	1	105.0655	20.783	5	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<2>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.9500	0.000	1	107.9500	0.000	1	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.3702	0.118	4	106.9081	2.789	17	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.1420	0.830	2	106.9081	2.789	17	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	105.8460	0.000	1	106.9081	2.789	17	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.0730	0.000	1	106.9081	2.789	17	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.4960	0.068	2	106.9081	2.789	17	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	109.8520	0.000	1	106.9081	2.789	17	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	103.0220	0.011	2	106.9081	2.789	17	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.9130	0.000	1	106.9081	2.789	17	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.9880	0.000	1	106.9081	2.789	17	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.9820	0.153	2	106.9081	2.789	17	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2{3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.9260	0.000	1	106.9260	0.000	1	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	108.1925	0.326	2	107.4000	0.570	5	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.1010	0.000	1	107.4000	0.570	5	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.7570	0.031	2	107.4000	0.570	5	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	107.6110	0.000	1	107.6110	0.000	1	106.8627	2.521	92	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]HH)(H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.9120	0.000	1	107.9120	0.000	1	107.3115	1.116	6	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.3090	0.000	1	106.2820	2.109	2	107.3115	1.116	6	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	105.2550	0.000	1	106.2820	2.109	2	107.3115	1.116	6	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6a]C[6]2)	108.0280	0.000	1	107.7977	0.141	3	107.3115	1.116	6	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(C[6]N[6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.6825	0.450	2	107.7977	0.141	3	107.3115	1.116	6	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.7930	0.000	1	107.7930	0.000	1	107.7930	0.000	1	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:P[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(P[6]C[6]2O)(H)	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]P[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(P[6]C[6]2O)(H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]P[6])	106.3110	1.328	2	106.3110	1.763	2	106.3110	1.763	2	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	N[5,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]2O)(C[6]C[6]HH)(H)	C[6](C[6]N[5,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6]N[5,6]C[6]2)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]2O)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]N[5,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]N[5,6]C[6]2)	106.3895	0.964	2	106.3895	0.929	2	106.3895	0.929	2	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]N[5a]C[6]2)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]N[5a]C[6]2)	107.0710	0.000	1	107.0710	0.000	1	107.5090	0.384	2	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](N[5a]N[5a]2)(C[6]C[6]HH)2(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]N[5a]C[6]2)	C[6](N[5a]N[5a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|N<2>,4|H<1>}	H(C[6]N[5a]C[6]2)	107.9470	0.000	1	107.9470	0.000	1	107.5090	0.384	2	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]N[6]HH)(H)	C[6](C[6]N[5a]C[6]H)(N[6]C[6]C)(H)2	H(C[6]N[5a]C[6]2)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]N[6]HH)(H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]N[5a]C[6]H)(N[6]C[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]N[5a]C[6]2)	106.9310	0.000	1	106.9310	0.000	1	106.9310	0.000	1	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]S[6])(C[6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6]N[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]N[6,6]C[6]2)	C[6](N[6,6]C[6,6]S[6])(C[6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|O<1>,5|H<1>}	C[6](C[6]N[6,6]C[6]H)(C[6]C[6]O)(H)2{1|S<4>,3|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]2)	107.3470	0.000	1	107.3470	0.000	1	107.3470	0.000	1	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(CCCH)(H){1|O<1>,3|C<4>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	108.0180	0.000	1	108.0180	0.000	1	107.2025	1.330	2	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]N)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(CCHH)(H){1|N<2>,3|C<4>}	C[6](C[6]N[6]CH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	106.3870	0.000	1	106.3870	0.000	1	107.2025	1.330	2	107.2101	2.616	173	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:2:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CN)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CN)(H){2|C<3>}	H(C[6]C[6,6a]C[6]C)	106.9750	0.000	1	106.9750	0.000	1	106.9750	0.000	1	107.8822	1.129	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:2:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(OH)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	108.0790	0.000	1	108.0790	0.000	1	108.0790	0.000	1	107.8822	1.129	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:2:1:	4:	C[6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O[6]H)(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(O[6]C[6])(H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O[6]H)(C[6]C[6]2H)(H){2|C<3>,2|H<1>,2|O<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(O[6]C[6])(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6]2)	107.9870	0.000	1	107.9870	0.000	1	108.0715	0.014	2	107.8822	1.129	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:2:1:	4:	C[6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O[6]H)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(O[6]C[6])(H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O[6]H)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,2|C<3>,2|O<1>,2|O<2>}	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(O[6]C[6])(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6]2)	108.1560	0.000	1	108.1560	0.000	1	108.0715	0.014	2	107.8822	1.129	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:2:1:	4:	C[6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H)	C[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	C[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,5|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]2)	105.9670	0.000	1	107.2787	1.422	6	107.2787	1.422	6	107.8822	1.129	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:2:1:	4:	C[6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H)	C[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H){1|O<2>,2|H<1>,8|C<3>}	C[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]2)	107.5410	1.123	5	107.2787	1.422	6	107.2787	1.422	6	107.8822	1.129	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:2:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-2:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CN)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CN)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6a]C[6]2)	108.0590	0.000	1	108.0590	0.000	1	108.0590	0.000	1	107.8822	1.129	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:2:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HO)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]S)(OH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HO)(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]S)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.5500	0.000	1	106.5500	0.000	1	106.5500	0.000	1	107.8822	1.129	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:2:1:	4:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CCHH)(H)	C[6](C[6]N[5a,6]CH)(N[6]C[6]H)(OC)(H)	H(C[6]N[5a,6]C[6]C)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CCHH)(H){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[6]N[5a,6]CH)(N[6]C[6]H)(OC)(H){1|O<1>,2|C<3>}	H(C[6]N[5a,6]C[6]C)	108.5520	0.194	2	108.7347	0.077	4	108.9038	0.200	5	107.8822	1.129	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:2:1:	4:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CCHH)(H)	C[6](C[6]N[5a,6]CH)(N[6]C[6]H)(OC)(H)	H(C[6]N[5a,6]C[6]C)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CCHH)(H){2|H<1>,3|C<3>}	C[6](C[6]N[5a,6]CH)(N[6]C[6]H)(OC)(H){1|O<1>,2|C<3>}	H(C[6]N[5a,6]C[6]C)	108.9175	0.243	2	108.7347	0.077	4	108.9038	0.200	5	107.8822	1.129	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:2:1:	4:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CC[5a]HH)(H)	C[6](C[6]N[5a,6]CH)(N[6]C[6]H)(OC)(H)	H(C[6]N[5a,6]C[6]C)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CC[5a]HH)(H){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[6]N[5a,6]CH)(N[6]C[6]H)(OC)(H){1|O<1>,2|C<3>}	H(C[6]N[5a,6]C[6]C)	109.5800	0.000	1	109.5800	0.000	1	108.9038	0.200	5	107.8822	1.129	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:2:2:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-2:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CN)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CN)2{1|C<2>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6a]C[6]2)	107.2435	1.170	2	107.2435	1.370	2	107.2435	1.370	2	107.2435	1.370	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:2:3:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:O[6]-2:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(O[6]C[6])(COO)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(CCHH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(O[6]C[6])(COO){4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	109.5360	0.000	1	109.5360	0.000	1	109.5360	0.000	1	109.5360	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:3:1:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]CH)(CHHN)(H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]H)(COO)(H)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]CH)(CHHN)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]CH)(N[6]C[6]H)(COO)(H){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]C[6]C)	110.3990	0.000	1	110.3990	0.000	1	110.3990	0.000	1	106.9855	4.361	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(COO)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(COO)(H){2|C<3>}	H(C[6]C[6,6a]C[6]C)	108.7770	0.000	1	108.7770	0.000	1	108.6470	0.034	2	106.9855	4.361	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(COO)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)(H){1|I<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(COO)(H){2|C<3>}	H(C[6]C[6,6a]C[6]C)	108.5170	0.000	1	108.5170	0.000	1	108.6470	0.034	2	106.9855	4.361	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CHHO)(H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CHHO)(H){2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H){3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	104.7039	7.271	2	104.7039	52.861	2	104.7039	52.861	2	106.9855	4.361	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:F-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO)(F)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO)(F){3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.3840	0.000	1	106.3840	0.000	1	105.0127	5.631	4	106.9855	4.361	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:F-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(COO)(F)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]HN)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(COO)(F){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	107.6290	0.000	1	107.6290	0.000	1	105.0127	5.631	4	106.9855	4.361	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:F-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CF)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCO)(F)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CF)2(H){2|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCO)(F){1|F<1>,1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	102.6890	0.000	1	102.6890	0.000	1	105.0127	5.631	4	106.9855	4.361	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:F-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CF)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(F)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CF)2(H){2|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(F){1|F<1>,1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	103.3490	0.000	1	103.3490	0.000	1	105.0127	5.631	4	106.9855	4.361	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(H){1|C<4>,2|C<2>,3|C<3>}	H(C[6]C[6a]C[6]2)	106.6600	0.000	1	106.6600	0.000	1	107.1502	1.783	27	106.9855	4.361	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CNO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CNO)(H){3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.4260	0.000	1	107.4260	0.000	1	107.1502	1.783	27	106.9855	4.361	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]O)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]O)(H){3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.2560	0.000	1	107.2560	0.000	1	107.1502	1.783	27	106.9855	4.361	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|Cl<1>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(H){3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.6645	0.084	2	107.2246	1.382	14	107.1502	1.783	27	106.9855	4.361	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(H){3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.1513	1.262	12	107.2246	1.382	14	107.1502	1.783	27	106.9855	4.361	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]S)(CC[6a]O)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]S)(CC[6a]O)(H){2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	105.1640	0.000	1	105.1640	0.000	1	107.1502	1.783	27	106.9855	4.361	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(COO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(COO)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	109.6720	0.000	1	109.6720	0.000	1	107.1502	1.783	27	106.9855	4.361	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|Cl<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6a]C[6]2)	105.0910	0.000	1	105.0910	0.000	1	107.1502	1.783	27	106.9855	4.361	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]HH)(H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	107.9510	0.000	1	107.9510	0.000	1	107.1502	1.783	27	106.9855	4.361	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CNO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CNO)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]2)	103.8800	0.000	1	103.8800	0.000	1	107.1502	1.783	27	106.9855	4.361	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO)(H){2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.6110	0.000	1	107.6110	0.000	1	107.1502	1.783	27	106.9855	4.361	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO)(H){2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.6380	0.000	1	107.6380	0.000	1	107.1502	1.783	27	106.9855	4.361	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.8540	0.297	3	107.8540	0.088	3	107.1502	1.783	27	106.9855	4.361	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[6]-4:S[6]-4:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(S[6]O[6]OO)(H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6a]C[6])(NCC)(H)	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(S[6]O[6]OO)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6a]C[6])(NCC)(H){1|O<2>,2|O<1>,5|C<3>}	H(C[6]C[6a]C[6]S[6])	107.1080	0.000	1	107.1080	0.000	1	107.1080	0.000	1	106.9855	4.361	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:3:1:	4:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[5a]-3:C[6]-3:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a]C[6]H)(CH3)(H)	C[6](C[6]N[5a,6]CH)(C[5a]C[5a]2)(C[6]C[6]H)(H)	H(C[6]N[5a,6]C[6]C)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a]C[6]H)(CH3)(H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]N[5a,6]CH)(C[5a]C[5a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]N[5a,6]C[6]C)	108.1350	0.000	1	108.1350	0.000	1	108.1350	0.000	1	106.9855	4.361	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:3:2:	4:	C[6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:O-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]CO)(H)	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(CCO)(OO)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]CO)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(CCO)(OO){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]2)	106.8330	0.000	1	106.8330	0.000	1	106.8330	0.000	1	106.6815	0.046	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:3:2:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:O-2:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]HH)(C[6]C[6]CO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(COO)(OC)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]HH)(C[6]C[6]CO)(H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(COO)(OC){2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.5300	0.000	1	106.5300	0.000	1	106.5300	0.000	1	106.6815	0.046	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5]C[5,6a]N[5])(C[6]C[6a]C[6]H)(C[6]C[6]CO)(H)	C[6](C[6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]N[5])(C[6]C[6a]C[6]H)(C[6]C[6]CO)(H){1|C<4>,1|N<3>,1|S<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5]C[6]2)	109.8270	0.000	1	109.8270	0.000	1	109.8270	0.000	1	107.6341	1.157	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(CCCH)(H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(CHHO)(H)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(CCCH)(H){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(CHHO)(H){1|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]C)	106.8080	0.000	1	106.8080	0.000	1	106.8080	0.000	1	107.6341	1.157	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CH3)(H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5a]C[6]2)	107.4310	0.000	1	107.4310	0.000	1	107.4310	0.000	1	107.6341	1.157	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6a]C[6]H)(C[6]C[6]CO)(H)	C[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]O[5a])(C[6]C[6a]C[6]H)(C[6]C[6]CO)(H){1|C<4>,1|N<2>,2|H<1>,2|N<3>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){2|C<4>,2|O<2>,3|H<1>,4|C<3>}	H(C[6]C[5a]C[6]2)	109.4110	0.000	1	109.4110	0.000	1	109.4110	0.000	1	107.6341	1.157	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(C[6]N[6]CH)(H)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]H)(CC[5a]HH)(H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(C[6]N[6]CH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(N[6]C[6]H)(CC[5a]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[5a]C[6]2)	106.8260	0.000	1	106.8260	0.000	1	106.8260	0.000	1	107.6341	1.157	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]N[6]O)(CH3)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)(H){1|N<3>,2|C<3>,2|O<1>}	C[6](C[6]C[6,6]CH)(C[6]N[6]O)(CH3)(H){1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]C)	108.4090	0.000	1	108.4090	0.000	1	108.4090	0.000	1	107.6341	1.157	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]CH)(CH3)(H)	C[6](C[6]C[6,6]CH)(N[6]C[6]H)(CH3)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]CH)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6]CH)(N[6]C[6]H)(CH3)(H){1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]C)	108.7340	0.000	1	108.7340	0.000	1	108.7340	0.000	1	107.6341	1.157	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]CH)(CC3)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]H)(CC3)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]CH)(CC3)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]H)(CC3)(H){3|C<3>}	H(C[6]C[6,6a]C[6]C)	107.3270	0.748	3	107.3270	0.559	3	107.5980	1.601	14	107.6341	1.157	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CH)(CC3)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[5a,6]H)(CC3)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CH)(CC3)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[5a,6]H)(CC3)(H){3|C<3>}	H(C[6]C[6,6a]C[6]C)	107.6200	0.000	1	107.6200	0.000	1	107.5980	1.601	14	107.6341	1.157	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(CCHH)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(CCHH)(H){1|C<4>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	108.7520	0.000	1	108.7520	0.000	1	107.5980	1.601	14	107.6341	1.157	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CCCH)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CCCH)(H){2|C<3>}	H(C[6]C[6,6a]C[6]C)	109.2285	0.272	2	109.2285	0.074	2	107.5980	1.601	14	107.6341	1.157	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CH3)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CH3)(H){2|C<3>}	H(C[6]C[6,6a]C[6]C)	107.1780	0.000	1	107.1780	0.000	1	107.5980	1.601	14	107.6341	1.157	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2O)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CH3)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CH3)(H){2|C<3>}	H(C[6]C[6,6a]C[6]C)	107.5510	0.000	1	107.5510	0.000	1	107.5980	1.601	14	107.6341	1.157	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHN)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(CCHH)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHN)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(CCHH)(H){2|C<3>}	H(C[6]C[6,6a]C[6]C)	108.7410	0.290	2	108.7410	0.084	2	107.5980	1.601	14	107.6341	1.157	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHN)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CCHH)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHN)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CCHH)(H){2|C<3>}	H(C[6]C[6,6a]C[6]C)	105.7837	0.058	3	105.7837	0.003	3	107.5980	1.601	14	107.6341	1.157	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]2H)(CSi2H)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]H)(C[6]C[6]2H)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]2H)(CSi2H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]H)(C[6]C[6]2H)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]C)	105.6110	0.000	1	105.6110	0.000	1	105.6110	0.000	1	107.6341	1.157	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(SCOO)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(SCOO)(H){1|C<4>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	109.0025	0.161	2	109.0025	0.026	2	109.0025	0.026	2	107.6341	1.157	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]HO)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCHH)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]HO)(H){2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]C)	107.9760	0.000	1	107.9760	0.000	1	107.2450	1.069	2	107.6341	1.157	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CHHN)(H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]HO)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CHHN)(H){2|H<1>,2|O<2>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]HO)(H){1|Cl<1>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	106.5140	0.000	1	106.5140	0.000	1	107.2450	1.069	2	107.6341	1.157	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CCHO)(H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]H)(CHHO)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CCHO)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(N[6]C[6]H)(CHHO)(H){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	109.3790	0.000	1	109.3790	0.000	1	109.3790	0.000	1	107.6341	1.157	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:S[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]CH)(CCCH)(H)	C[6](C[6]C[6,6a]CH)(S[6]N[6]O)(CCHH)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]CH)(CCCH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(S[6]N[6]O)(CCHH)(H){1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	106.5850	0.000	1	106.5850	0.000	1	106.5850	0.000	1	107.6341	1.157	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O[6]H)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(CC[6a]CH)(H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O[6]H)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,2|C<3>,2|O<1>,2|O<2>}	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(CC[6a]CH)(H){1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6]2)	108.1210	0.000	1	108.1210	0.000	1	108.1210	0.000	1	107.6341	1.157	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6a]C[6]2)	106.9650	0.000	1	107.7890	0.559	3	107.2929	0.453	7	107.6341	1.157	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]2)	108.2010	0.314	2	107.7890	0.559	3	107.2929	0.453	7	107.6341	1.157	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	106.4910	0.000	1	106.4910	0.000	1	107.2929	0.453	7	107.6341	1.157	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HS)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HS)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH)(H){1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	106.8860	0.000	1	106.8860	0.000	1	107.2929	0.453	7	107.6341	1.157	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.1530	0.113	2	107.1530	0.013	2	107.2929	0.453	7	107.6341	1.157	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]2)(C[6]C[6]CH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]2H)(C[6]C[6]HH)(H){1|Br<1>,3|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]2)(C[6]C[6]CH)(H){1|C<4>,2|N<3>,4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.8530	0.000	1	107.8530	0.000	1	107.8530	0.000	1	107.6341	1.157	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HS)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(SC[6a]OO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HS)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(SC[6a]OO)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	106.8520	0.000	1	106.8520	0.000	1	107.3843	0.214	3	107.6341	1.157	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HS)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(SC[6a]OO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HS)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(SC[6a]OO)(H){3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.6505	0.054	2	107.6505	0.003	2	107.3843	0.214	3	107.6341	1.157	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.8480	0.000	1	107.7375	0.024	2	107.7130	0.014	3	107.6341	1.157	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.6270	0.000	1	107.7375	0.024	2	107.7130	0.014	3	107.6341	1.157	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.6640	0.000	1	107.6640	0.000	1	107.7130	0.014	3	107.6341	1.157	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]CH)(CCHH)(H)	C[6](C[6]N[5a,6]CH)(N[6]C[6]S)(CCHH)(H)	H(C[6]N[5a,6]C[6]C)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]CH)(CCHH)(H){1|C<3>,1|C<4>,1|N<2>,1|S<4>}	C[6](C[6]N[5a,6]CH)(N[6]C[6]S)(CCHH)(H){1|C<3>,1|N<2>,2|H<1>}	H(C[6]N[5a,6]C[6]C)	107.8230	0.000	1	107.8230	0.000	1	107.4200	0.325	2	107.6341	1.157	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(CCHH)(H)	C[6](C[6]N[5a,6]CH)(N[6]C[6]S)(CCHH)(H)	H(C[6]N[5a,6]C[6]C)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(CCHH)(H){1|C<4>,1|S<4>,3|C<3>}	C[6](C[6]N[5a,6]CH)(N[6]C[6]S)(CCHH)(H){1|H<1>,3|C<3>}	H(C[6]N[5a,6]C[6]C)	107.0170	0.000	1	107.0170	0.000	1	107.4200	0.325	2	107.6341	1.157	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(CC3)(H)	H(C[6]N[5a]C[6]2)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(CC3)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6]N[5a]C[6]2)	105.6380	0.000	1	105.6380	0.000	1	105.6380	0.000	1	107.6341	1.157	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:4:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(CC[6]HH)(H)	C[6](C[6]N[6]CH)(C[6]N[6]O)(CHHS)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(CC[6]HH)(H){1|N<3>,2|C<3>,2|O<1>}	C[6](C[6]N[6]CH)(C[6]N[6]O)(CHHS)(H){3|C<3>}	H(C[6]C[6]N[6]C)	107.8785	0.005	2	107.8785	0.000	2	107.8785	0.000	2	107.6341	1.157	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:4:2:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CH3)(OH)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CO)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CH3)(OH){3|C<3>,3|H<1>}	H(C[6]C[5a]C[6]2)	106.7010	0.000	1	106.7010	0.000	1	106.7010	0.000	1	106.5857	0.109	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:4:2:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CH3)(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CH3)(OH){1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]C)	106.4630	0.000	1	106.4630	0.000	1	106.4630	0.000	1	106.5857	0.109	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:4:2:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CHHS)(OH)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CHHS)(OH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.9045	0.332	2	106.9045	0.110	2	106.9045	0.110	2	106.5857	0.109	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:4:2:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]CC)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CCHH)(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]CC)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CCHH)(CN){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.2150	0.000	1	106.2150	0.000	1	106.2150	0.000	1	106.5857	0.109	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:4:2:	4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]CO)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6]O)(CH3)(OH)	H(C[6]N[5a]C[6]2)	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]CO)(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6]O)(CH3)(OH){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	H(C[6]N[5a]C[6]2)	106.3260	0.000	1	106.3260	0.000	1	106.3260	0.000	1	106.5857	0.109	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:4:3:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CHHN)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CH3)(COS)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CHHN)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CH3)(COS){2|C<3>}	H(C[6]C[6,6a]C[6]C)	106.3740	0.000	1	106.3740	0.000	1	106.3740	0.000	1	106.9127	0.667	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:4:3:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CHHN)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CC[6a]HH)(NCH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CHHN)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CC[6a]HH)(NCH){2|C<3>}	H(C[6]C[6,6a]C[6]C)	107.1820	0.948	2	107.1820	0.898	2	107.1820	0.898	2	106.9127	0.667	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:3:4:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:S-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CS)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(CCHH)(SCOO)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CS)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(CCHH)(SCOO){1|C<4>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	104.3360	0.000	1	104.3360	0.000	1	104.3360	0.000	1	104.3360	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	B[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[5]C[5,6a]P[5])(C[6]C[6]HH)2(H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]B[5]C[6]2)	C[6](B[5]C[5,6a]P[5])(C[6]C[6]HH)2(H){3|C<3>,3|C<4>,4|H<1>}	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,4|H<1>}	H(C[6]B[5]C[6]2)	106.7270	0.083	2	106.7270	0.007	2	107.0318	0.063	6	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	B[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[5]C[5]N[5])(C[6]C[6]HH)2(H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]B[5]C[6]2)	C[6](B[5]C[5]N[5])(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,4|H<1>}	H(C[6]B[5]C[6]2)	107.2675	0.016	2	107.1842	0.010	4	107.0318	0.063	6	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	B[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[5]C[5]N[5])(C[6]C[6]HH)2(H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]B[5]C[6]2)	C[6](B[5]C[5]N[5])(C[6]C[6]HH)2(H){1|P<4>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6]B[5]C[6]2)	107.1010	0.045	2	107.1842	0.010	4	107.0318	0.063	6	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[3]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3]C[3,6]C[3])(C[6]C[6]HH)2(H)	C[6](C[6]C[3]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[3]C[6]2)	C[6](C[3]C[3,6]C[3])(C[6]C[6]HH)2(H){1|C<4>,2|N<3>,5|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[3]C[6]2)	108.0685	0.012	2	108.0685	0.000	2	108.0685	0.000	2	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[4,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[4,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]C)	C[6](C[4,6]C[4,5,6]C[4])(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]C)	108.3720	0.000	1	108.3720	0.000	1	108.3720	0.000	1	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[3x6]HH)(CCCH)(H)	C[6](C[3x6]C[4,6,6]C[6,6]O[6])(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[3x6]HH)(CCCH)(H){1|O<1>,1|O<2>,4|C<4>}	C[6](C[3x6]C[4,6,6]C[6,6]O[6])(C[6]C[5,6]CH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]C)	108.3905	0.795	4	108.3905	0.632	4	108.3905	0.632	4	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[4x6]HH)(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[5,6]CH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]C)	107.5632	1.365	4	107.5632	1.865	4	107.3013	1.272	21	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(CH3)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	105.0175	0.035	2	105.0175	0.001	2	107.3013	1.272	21	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]O[6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]2)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[5,6]C[6]C)	108.3690	0.000	1	108.3690	0.000	1	107.3013	1.272	21	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]C)	106.6610	0.000	2	107.0337	0.192	4	107.3013	1.272	21	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCCH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]C)	107.4065	0.139	2	107.0337	0.192	4	107.3013	1.272	21	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]C)	107.7040	0.000	1	107.7040	0.000	1	107.3013	1.272	21	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.2850	0.000	1	107.2850	0.000	1	107.3013	1.272	21	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5,6]C[6]C)	108.3305	0.280	4	108.1468	0.129	6	107.3013	1.272	21	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[5,6]C[6]C)	107.7795	0.063	2	108.1468	0.129	6	107.3013	1.272	21	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CC[6a]CH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CC[6a]CH)(H){1|Se<2>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[5,6]C[6]C)	106.3325	0.412	2	106.3325	0.170	2	107.3013	1.272	21	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[6]HH)2(H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]2)	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]2)	107.6513	0.210	4	107.6513	0.044	4	107.2246	0.943	5	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]2)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]2)	105.5180	0.000	1	105.5180	0.000	1	107.2246	0.943	5	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[3,5,6,6]C[5])(C[6]C[6,6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[3,5,6,6]C[5])(C[6]C[6,6]HH)2(H){1|C<3>,2|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[5]C[6]2)	108.0125	0.012	2	108.0125	0.000	2	107.6325	0.193	4	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5,6]C[5])(C[6]C[6,6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6]C[5])(C[6]C[6,6]HH)2(H){1|C<3>,2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[5]C[6]2)	107.2525	0.035	2	107.2525	0.001	2	107.6325	0.193	4	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5,6,6]S[5])(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6,6]S[5])(C[6]C[6]HH)2(H){1|C<3>,1|S<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	H(C[6]C[5]C[6]2)	108.1485	0.026	2	108.1485	0.001	2	107.7071	0.149	16	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5,6a]C[5])(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]C[5])(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5]C[6]2)	107.6865	0.005	2	107.6865	0.000	2	107.7071	0.149	16	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]N[5])(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]N[5])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[5]C[6]2)	107.5856	0.426	10	107.5856	0.181	10	107.7071	0.149	16	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]N[5]O[5])(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]N[5]O[5])(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[5]C[6]2)	107.8935	0.021	2	107.8935	0.000	2	107.7071	0.149	16	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a,6]-3:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[5]C[5]2C)(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[5]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[5]C[5]2C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[6]C[5a,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[5]C[6])	107.8440	0.000	1	107.8440	0.000	1	107.8440	0.000	1	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(CCHH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5a,6]CH)(H)2	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5a,6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]C[6]C)	108.5000	0.000	1	108.5000	0.000	1	107.9640	0.284	3	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(CCHO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]CH)(H)2	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(CCHO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]CH)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[5a,6]C[6]C)	107.9580	0.000	1	107.9580	0.000	1	107.9640	0.284	3	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(CC[6a]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]CH)(H)2	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(CC[6a]HO)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[5a,6]C[6]C)	107.4340	0.000	1	107.4340	0.000	1	107.9640	0.284	3	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]ClH)(CH3)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]ClH)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(Cl)(H){1|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]C)	108.0800	0.000	1	108.0800	0.000	1	108.0800	0.000	1	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]CC)(H)2	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]C)	108.5690	0.000	1	108.5690	0.000	1	107.9553	0.275	9	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]C)	107.9150	0.000	1	107.9150	0.000	1	107.9553	0.275	9	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]HO)(H)2{1|C<2>,1|C<3>,1|N<3>}	H(C[6]C[5a,6]C[6]C)	109.0140	0.000	1	109.0140	0.000	1	107.9553	0.275	9	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]C)	107.4940	0.000	1	107.4940	0.000	1	107.9553	0.275	9	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CHHN)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]C)	107.7090	0.000	1	107.7090	0.000	1	107.9553	0.275	9	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CClHH)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CClHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]C[6]C)	107.8860	0.000	1	107.8860	0.000	1	107.9553	0.275	9	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCoHH)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCoHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]C[6]C)	107.5285	0.248	2	107.5285	0.062	2	107.9553	0.275	9	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]FF)(H)2	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|C<3>,2|F<1>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]FF)(H)2{1|N<2>,1|N<3>,2|F<1>}	H(C[6]C[5a,6]C[6]C)	107.9540	0.000	1	107.9540	0.000	1	107.9553	0.275	9	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(NCHH)(H)	C[6](C[6]C[5a,6]HN)(C[6]S[6]CH)(H)2	H(C[6]C[5a,6]C[6]N)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(NCHH)(H){1|C<3>,1|C<4>,1|S<2>,1|S<4>,2|H<1>}	C[6](C[6]C[5a,6]HN)(C[6]S[6]CH)(H)2{2|C<3>,2|O<1>}	H(C[6]C[5a,6]C[6]N)	107.3680	0.000	1	107.3680	0.000	1	107.3680	0.000	1	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[5,6]HH)(C[6]C[6]HW)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a]C[6]H)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]O[5a])(C[6]C[5,6]HH)(C[6]C[6]HW)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<2>,1|W<7>,2|C<4>,4|H<1>}	H(C[6]C[5a]C[6]2)	106.4500	0.000	1	106.4500	0.000	1	106.4500	0.000	1	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5,5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5,5a])(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5a]C[6]2)	106.3265	0.238	2	106.3265	0.057	2	107.7562	0.595	63	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5a]C[6]2)	107.3660	0.000	1	107.3660	0.000	1	107.7562	0.595	63	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|H<1>,3|C<3>}	H(C[6]C[5a]C[6]2)	106.8250	0.000	1	106.8250	0.000	1	107.7562	0.595	63	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[5a]N[6]H)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H){2|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[5a]N[6]H)(H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[5a]C[6]2)	107.5980	0.000	1	107.5980	0.000	1	107.7562	0.595	63	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CO)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H){1|C<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CO)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5a]C[6]2)	107.4360	0.000	1	107.4360	0.000	1	107.7562	0.595	63	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H){1|C<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5a]C[6]2)	107.3690	0.000	1	106.7937	0.250	3	107.7562	0.595	63	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5a]C[6]2)	106.5060	0.052	2	106.7937	0.250	3	107.7562	0.595	63	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]CH)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H){2|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5a]C[6]2)	107.5500	0.000	1	107.5500	0.000	1	107.7562	0.595	63	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H){1|N<3>,1|N<4>,2|C<3>,5|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5a]C[6]2)	107.8320	0.024	2	107.8320	0.001	2	107.7562	0.595	63	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[5a]C[6]2)	107.1860	0.338	3	107.8809	0.443	12	107.7562	0.595	63	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[5a]C[6]2)	108.2390	0.000	1	107.8809	0.443	12	107.7562	0.595	63	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2(H){1|N<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[5a]C[6]2)	108.8645	1.009	2	107.8809	0.443	12	107.7562	0.595	63	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2(H){1|N<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[5a]C[6]2)	107.8370	0.010	2	107.8809	0.443	12	107.7562	0.595	63	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2(H){1|N<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	H(C[6]C[5a]C[6]2)	107.6820	0.035	2	107.8809	0.443	12	107.7562	0.595	63	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2(H){2|C<3>,2|N<3>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[5a]C[6]2)	108.0035	0.012	2	107.8809	0.443	12	107.7562	0.595	63	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]HW)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]HW)(H){3|C<3>,5|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|W<7>}	H(C[6]C[5a]C[6]2)	108.1040	0.000	1	108.1040	0.000	1	107.7562	0.595	63	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[5a]C[6]2)	107.9505	0.141	2	107.5828	0.187	4	107.7562	0.595	63	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[5a]C[6]2)	107.2150	0.035	2	107.5828	0.187	4	107.7562	0.595	63	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,5|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5a]C[6]2)	108.1635	0.009	2	108.1635	0.000	2	107.7562	0.595	63	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)2(H){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[5a]C[6]2)	107.0895	0.203	4	107.0895	0.041	4	107.7562	0.595	63	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a]N[5a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]N[5a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(C[6]C[5a]C[6]2)	110.1460	1.635	2	110.1460	2.673	2	107.7562	0.595	63	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a]N[5a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]N[5a]2)(C[6]C[6]HH)2(H){2|C<4>,2|N<2>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[5a]C[6]2)	107.9865	0.013	2	107.9865	0.000	2	107.7562	0.595	63	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a]N[5a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]N[5a]2)(C[6]C[6]HH)2(H){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[5a]C[6]2)	108.0820	0.059	2	108.0820	0.004	2	107.7562	0.595	63	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[5a]C[6]2)	107.0640	0.247	2	107.0640	0.061	2	107.7562	0.595	63	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(C[6]C[5a]C[6]2)	107.7295	0.045	2	107.6287	0.011	6	107.7562	0.595	63	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(C[6]C[5a]C[6]2)	107.5782	0.091	4	107.6287	0.011	6	107.7562	0.595	63	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]HH)2(H){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[5a]C[6]2)	108.3893	0.349	6	108.3893	0.122	6	107.7562	0.595	63	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,4|H<1>}	H(C[6]C[5a]C[6]2)	107.7460	0.007	2	107.7460	0.000	2	107.7562	0.595	63	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|S<2>,2|H<1>}	H(C[6]C[5a]C[6]2)	107.8862	0.539	6	107.8862	0.291	6	107.7562	0.595	63	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HO)(C[6]N[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]CH)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HO)(C[6]N[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[5a]C[6]2)	107.3940	0.000	1	107.3940	0.000	1	107.3940	0.000	1	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(CCCH)(H)	C[6](C[3x6]C[4,6,6]C[6,6]O[6])(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[3x6]C[4,6,6]C[6,6]O[6])(C[6]C[6,6]CH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	108.0700	0.000	1	108.0700	0.000	1	108.5840	0.209	3	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(CCHH)(H)	C[6](C[3x6]C[4,6,6]C[6,6]O[6])(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(CCHH)(H){1|O<1>,1|O<2>,4|C<4>}	C[6](C[3x6]C[4,6,6]C[6,6]O[6])(C[6]C[6,6]CH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	108.8410	0.146	2	108.8410	0.021	2	108.5840	0.209	3	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CH3)(H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6,6]CH)(H)2{1|C<4>,1|O<2>,4|C<3>}	H(C[6]C[6,6]C[6]C)	108.7820	0.010	2	108.0930	0.693	4	108.2043	0.531	6	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CH3)(H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6,6]CH)(H)2{1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]C)	107.7050	0.000	1	108.0930	0.693	4	108.2043	0.531	6	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CH3)(H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6,6]CH)(H)2{1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]C)	107.1030	0.000	1	108.0930	0.693	4	108.2043	0.531	6	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCCH)(H)	C[6](C[5,6]C[3,5]C[5]O[6])(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCCH)(H){1|O<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[3,5]C[5]O[6])(C[6]C[6,6]CH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.9650	0.000	1	107.9650	0.000	1	108.2043	0.531	6	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCHH)(H)	C[6](C[5,6]C[3,5]C[5]O[6])(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCHH)(H){1|O<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[3,5]C[5]O[6])(C[6]C[6,6]CH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	108.8890	0.000	1	108.8890	0.000	1	108.2043	0.531	6	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CCCH)(H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CCCH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]CH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.8970	0.000	1	107.8970	0.000	1	107.3136	1.036	5	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6]CH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]C)	108.2990	0.000	1	108.2990	0.000	1	107.3136	1.036	5	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CH3)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]C)	106.7907	1.003	3	106.7907	1.006	3	107.3136	1.036	5	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[4]O[6]C)(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[4]O[6]C)(C[6]C[6,6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]C)	107.8990	0.000	1	107.8990	0.000	1	106.9030	0.661	14	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCCH)(H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]C)	105.6490	0.000	1	106.6165	1.872	2	106.9030	0.661	14	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCCH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]C)	107.5840	0.000	1	106.6165	1.872	2	106.9030	0.661	14	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[4]O[6]C)(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H){1|O<1>,1|O<2>,4|C<4>}	C[6](C[6]C[4]O[6]C)(C[6]C[6,6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]C)	106.6152	0.973	5	106.6152	0.946	5	106.9030	0.661	14	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]O[6]HH)(H)2{2|C<3>}	H(C[6]C[6,6]C[6]C)	107.1050	0.228	2	107.1050	0.052	2	106.9030	0.661	14	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]C)	107.9790	0.000	1	107.0560	0.381	4	106.9030	0.661	14	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]C)	106.7850	0.000	1	107.0560	0.381	4	106.9030	0.661	14	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	106.7300	0.072	2	107.0560	0.381	4	106.9030	0.661	14	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]2)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6,6]C[6]2)	108.1630	0.136	2	108.1630	0.018	2	108.1630	0.018	2	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NIrHH)(H)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NIrHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]N)	106.2150	0.000	1	106.2150	0.000	1	107.0524	0.671	7	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NMnCH)(H)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NMnCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]N)	107.3452	0.196	4	107.3452	0.039	4	107.0524	0.671	7	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NRuCH)(H)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NRuCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]N)	105.7000	0.000	1	105.7000	0.000	1	107.0524	0.671	7	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NRuHH)(H)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NRuHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]N)	108.0710	0.000	1	108.0710	0.000	1	107.0524	0.671	7	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(PC[6a]2O)(H)	C[6](C[6]C[6,6]HP)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]P)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(PC[6a]2O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HP)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]P)	108.8290	0.000	1	108.8290	0.000	1	108.8290	0.000	1	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(CCCH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]CH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(CCCH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]CH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	108.2310	0.000	1	108.2310	0.000	1	107.6393	0.265	3	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(CH3)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]CH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]CH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	107.3435	0.076	2	107.3435	0.006	2	107.6393	0.265	3	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(CHHN)(H)	C[6](C[3x6]C[6,6a]C[6,6]O[6,6])(C[6]C[6,6a]CH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(CHHN)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[3x6]C[6,6a]C[6,6]O[6,6])(C[6]C[6,6a]CH)(H)2{1|C<4>,1|O<2>,5|C<3>}	H(C[6]C[6,6a]C[6]C)	108.8630	0.000	1	108.8630	0.000	1	108.8630	0.000	1	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC3)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]CH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC3)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]CH)(H)2{1|H<1>,1|N<2>,1|O<1>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	105.4900	0.000	1	105.4900	0.000	1	106.0020	0.276	3	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CClHH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]CH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CClHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]C)	105.9760	0.000	1	105.9760	0.000	1	106.0020	0.276	3	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]CH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]CH)(H)2{1|H<1>,1|N<2>,1|O<1>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	106.5400	0.000	1	106.5400	0.000	1	106.0020	0.276	3	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]CH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]CH)(H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	109.1940	0.000	1	109.1940	0.000	1	109.1940	0.000	1	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H){3|C<3>,3|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]C)	106.4475	0.595	8	106.4475	0.355	8	107.6756	0.674	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	107.9020	0.000	1	107.9020	0.000	1	107.6756	0.674	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	107.5320	0.000	1	107.5320	0.000	1	107.6756	0.674	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CClHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CClHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]C)	108.3543	0.249	3	108.3543	0.062	3	107.6756	0.674	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	106.6740	0.000	1	106.6740	0.000	1	107.6756	0.674	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]C)	107.1450	0.632	3	107.6210	0.546	6	107.6756	0.674	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	107.9405	0.654	2	107.6210	0.546	6	107.6756	0.674	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	108.4100	0.000	1	107.6210	0.546	6	107.6756	0.674	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	107.2530	0.000	1	107.2530	0.000	1	107.6756	0.674	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(H)2{2|C<3>}	H(C[6]C[6,6a]C[6]C)	107.9340	0.000	1	107.9340	0.000	1	107.6756	0.674	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]HN)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]HN)(H)2{2|C<3>}	H(C[6]C[6,6a]C[6]C)	108.1900	0.000	1	108.1900	0.000	1	107.6756	0.674	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]CH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]CH)(H)2{6|C<3>}	H(C[6]C[6,6a]C[6]C)	108.0410	0.000	1	108.0410	0.000	1	107.6756	0.674	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]CH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|O<1>,2|C<3>,3|O<2>}	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]CH)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6]C)	107.4740	0.000	1	107.4740	0.000	1	107.6756	0.674	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHO)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHO)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	107.8050	0.000	1	107.8050	0.000	1	107.6756	0.674	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]CC)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	109.3840	0.348	4	109.3840	0.121	4	107.6756	0.674	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]BrH)(C[6]C[6,6a]CH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]BrH)(C[6]C[6,6a]CH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]C)	107.7340	0.000	1	107.7340	0.000	1	107.6756	0.674	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]FH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]FH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]C)	107.2890	0.000	1	107.3247	0.065	3	107.6756	0.674	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]FH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]FH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]C)	107.0900	0.000	1	107.3247	0.065	3	107.6756	0.674	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]FH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]FH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]C)	107.5950	0.000	1	107.3247	0.065	3	107.6756	0.674	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HS)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HS)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]C)	107.3810	0.000	1	107.8829	0.125	10	107.6756	0.674	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HS)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HS)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]C)	107.9387	0.326	9	107.8829	0.125	10	107.6756	0.674	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]CC)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]CC)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	107.1840	0.000	1	107.1840	0.000	1	107.6756	0.674	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	106.2110	0.000	1	106.2110	0.000	1	107.6756	0.674	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]CH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]CH)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]C)	107.3625	0.177	2	107.3625	0.032	2	107.6756	0.674	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(H)2{1|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	107.3685	0.045	2	107.4530	0.022	3	107.6756	0.674	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	107.6220	0.000	1	107.4530	0.022	3	107.6756	0.674	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[5,6]C[6a]O)(C[6]C[6,6a]CH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5,6]C[6a]O)(C[6]C[6,6a]CH)(H)2{1|O<2>,5|C<3>}	H(C[6]C[6,6a]C[6]C)	107.8500	0.000	1	107.8500	0.000	1	107.6756	0.674	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	107.9270	0.000	1	107.9270	0.000	1	107.6756	0.674	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	108.3520	0.000	1	108.3520	0.000	1	107.6756	0.674	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]CO)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]CO)(H)2{2|C<3>}	H(C[6]C[6,6a]C[6]C)	108.4085	0.791	2	108.4085	0.626	2	107.6756	0.674	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]HO)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H){2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]HO)(H)2{2|C<3>}	H(C[6]C[6,6a]C[6]C)	108.2610	0.000	1	108.2610	0.000	1	107.6756	0.674	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	107.2100	0.000	1	107.2100	0.000	1	107.6756	0.674	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHOP)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHOP)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	107.3380	0.000	1	107.3380	0.000	1	107.6756	0.674	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	107.9470	0.000	1	107.9470	0.000	1	107.6756	0.674	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CCHO)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]HO)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CCHO)(H){1|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]HO)(H)2{2|C<3>}	H(C[6]C[6,6a]C[6]C)	108.2050	0.000	1	108.2050	0.000	1	107.6756	0.674	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]CO)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CHHN)(H){1|C<4>,2|O<2>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]CO)(H)2{2|C<3>}	H(C[6]C[6,6a]C[6]C)	108.2540	0.000	1	108.2540	0.000	1	107.6756	0.674	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CPdHH)(H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]PdC)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CPdHH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]CH)(N[6]C[6]PdC)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	109.3980	0.000	1	109.3980	0.000	1	109.3980	0.000	1	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCCH)(H)	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]CH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCCH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]CH)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6]C)	107.2020	0.000	1	107.2020	0.000	1	107.8042	0.302	6	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCHH)(H)	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]CH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCHH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]CH)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6]C)	107.8135	0.525	4	107.8135	0.276	4	107.8042	0.302	6	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CHHS)(H)	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]CH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CHHS)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]CH)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6]C)	108.3690	0.000	1	108.3690	0.000	1	107.8042	0.302	6	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[5]C[5]2H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]C[5]H)(H)2	H(C[6]C[6,6a]C[5]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[5]C[5]2H)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]C[5]H)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5]C[6])	106.9080	0.180	2	106.9080	0.032	2	106.9080	0.032	2	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCHH)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]N)	107.9230	0.536	2	107.9230	0.287	2	107.9230	0.287	2	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:N[5]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2H)(H)	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]N[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2H)(H){2|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]N[5])	108.2880	0.000	1	108.2880	0.000	1	108.2880	0.000	1	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(PC[6a]2O)(H)	C[6](C[6]C[6,6a]HP)(C[6]N[6]HP)(H)2	H(C[6]C[6,6a]C[6]P)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(PC[6a]2O)(H){1|N<3>,1|P<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HP)(C[6]N[6]HP)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]P)	108.5430	0.000	1	108.5430	0.000	1	108.5430	0.000	1	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HS)(H)2	H(C[6]C[6,6a]C[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HS)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]S)	108.4160	0.000	1	108.4160	0.000	1	108.4160	0.000	1	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:B-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(BC[6a]2C)(H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2B)	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(BC[6a]2C)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2B)	105.5460	0.000	1	105.5460	0.000	1	105.5460	0.000	1	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2C)	107.3410	0.000	1	107.3410	0.000	1	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2C)	107.5840	0.000	1	107.1205	0.430	2	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2C)	106.6570	0.000	1	107.1205	0.430	2	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.7950	0.000	1	106.7950	0.000	1	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CHHO)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2C)	108.1350	0.000	1	108.1350	0.000	1	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CC[5]HO)(H)	C[6](C[6]C[5,6]CC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CC[5]HO)(H){2|C<3>,2|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	105.4240	0.000	1	105.4240	0.000	1	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5,6]HN)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.0890	0.000	1	107.0890	0.000	1	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCCH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2C)	106.2395	0.722	2	106.2395	0.521	2	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHO)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	107.4210	0.000	1	107.4210	0.000	1	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CC[6a]CH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.9490	0.000	1	106.9490	0.000	1	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CC[6a]CH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.5610	0.270	2	107.5610	0.073	2	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]N)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]N)(C[6]C[6]HH)(CHHO)(H){2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,1|S<2>}	H(C[6]C[6]2C)	106.8010	0.000	1	106.8010	0.000	1	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2C)	105.3580	3.789	2	105.3580	14.354	2	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2C)	107.3845	0.493	2	107.2302	0.120	4	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2C)	107.1800	0.000	1	107.2302	0.120	4	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	106.9720	0.000	1	107.2302	0.120	4	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	107.8320	0.000	1	107.8320	0.000	1	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.8376	0.120	5	106.8376	0.014	5	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2C)	105.7560	0.000	1	106.6203	0.628	7	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2C)	105.8420	0.064	2	106.6203	0.628	7	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[6]C[6]2C)	107.2255	0.336	4	106.6203	0.628	7	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CCCH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{3|C<3>}	H(C[6]C[6]2C)	108.0990	0.075	2	108.0990	0.006	2	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[5]CH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[5]CH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{3|C<3>}	H(C[6]C[6]2C)	108.9850	0.000	1	108.9850	0.000	1	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[6a]CH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[6a]CH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{3|C<3>}	H(C[6]C[6]2C)	108.7680	0.347	4	108.7680	0.120	4	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[6a]HN)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[6a]HN)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{3|C<3>}	H(C[6]C[6]2C)	107.9710	0.000	1	107.9710	0.000	1	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{3|C<3>}	H(C[6]C[6]2C)	108.2050	0.000	1	108.2050	0.000	1	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[5])(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{3|C<3>}	H(C[6]C[6]2C)	106.7580	0.000	1	107.3670	0.742	2	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[5])(C[6]C[6]HH)(CH3)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{3|C<3>}	H(C[6]C[6]2C)	107.9760	0.000	1	107.3670	0.742	2	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{3|C<3>}	H(C[6]C[6]2C)	106.4115	0.605	2	106.4115	0.366	2	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{3|C<3>}	H(C[6]C[6]2C)	107.5670	1.161	3	107.5670	1.348	3	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{3|C<3>}	H(C[6]C[6]2C)	106.1780	1.195	3	106.1780	1.429	3	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|N<2>,2|C<3>}	H(C[6]C[6]2C)	108.0850	0.000	1	108.0850	0.000	1	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CCHO)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CCHO)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|N<2>,2|C<3>}	H(C[6]C[6]2C)	109.5590	0.000	1	109.5590	0.000	1	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CC[6a]HO)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CC[6a]HO)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|N<2>,2|C<3>}	H(C[6]C[6]2C)	108.3785	0.120	2	108.3785	0.014	2	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CHHO)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|N<2>,2|C<3>}	H(C[6]C[6]2C)	108.2020	0.000	1	108.2020	0.000	1	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2C)	107.5130	0.000	1	107.5130	0.000	1	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6]HH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6]HH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2C)	106.5105	1.044	2	106.5105	1.091	2	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2C)	105.3805	0.896	4	105.3805	0.802	4	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HO)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HO)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2C)	107.0400	0.000	1	107.0400	0.000	1	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CC[6a]HN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CC[6a]HN)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.6250	0.000	1	107.6250	0.000	1	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CF3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CF3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.2000	0.000	1	107.2000	0.000	1	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2C)	106.8280	0.000	1	106.8280	0.000	1	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6]2C)	107.1035	0.129	2	106.8573	0.190	3	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2C)	106.3650	0.000	1	106.8573	0.190	3	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CCHH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	106.1390	0.000	1	106.1390	0.000	1	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(H){1|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	105.7145	0.025	2	105.7145	0.001	2	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	105.6800	0.000	1	105.6800	0.000	1	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	106.2960	0.000	1	106.2960	0.000	1	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6]2C)	106.5065	0.981	2	106.5065	0.962	2	107.0192	1.319	78	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]C)(C[6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]2H)(H)2	H(C[6]C[6]3)	C[6](C[6]C[3,6,6]C)(C[6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]2H)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6]3)	105.2390	0.000	1	105.2390	0.000	1	106.8770	0.799	29	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6])(C[6]C[5,6]CO)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]2H)(H)2	H(C[6]C[6]3)	C[6](C[6]C[5,6]C[6])(C[6]C[5,6]CO)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]2H)(H)2{1|C<3>,1|O<2>,5|C<4>}	H(C[6]C[6]3)	106.2870	0.000	1	105.8130	0.449	2	106.8770	0.799	29	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6])(C[6]C[5,6]CO)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]2H)(H)2	H(C[6]C[6]3)	C[6](C[6]C[5,6]C[6])(C[6]C[5,6]CO)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]2H)(H)2{1|C<3>,1|O<2>,5|C<4>}	H(C[6]C[6]3)	105.3390	0.000	1	105.8130	0.449	2	106.8770	0.799	29	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[5,6]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]3)	107.0590	0.382	4	107.0498	0.088	6	106.8770	0.799	29	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[5,6]C[6])(C[6]C[6]HH)2(H){1|N<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]3)	107.0315	0.026	2	107.0498	0.088	6	106.8770	0.799	29	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]2H)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6,6]C)(C[6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]2H)(H)2{3|C<3>,4|C<4>}	H(C[6]C[6]3)	105.0270	0.000	1	105.0270	0.000	1	106.8770	0.799	29	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N[6])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6,6a]N[6])(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6]3)	108.1585	0.021	2	108.1585	0.000	2	106.8770	0.799	29	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6]3)	106.4675	0.265	2	106.3297	0.075	7	106.8770	0.799	29	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6]3)	106.2660	0.000	1	106.3297	0.075	7	106.8770	0.799	29	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6]3)	106.2767	0.329	4	106.3297	0.075	7	106.8770	0.799	29	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]O[6])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]O[6])(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]3)	107.5782	0.831	6	107.4924	0.519	8	106.8770	0.799	29	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]O[6])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]O[6])(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]3)	107.2350	0.010	2	107.4924	0.519	8	106.8770	0.799	29	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]O[6])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]N[6]O[6])(C[6]C[6]HH)2(H){3|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(C[6]C[6]3)	107.3390	0.045	2	107.3390	0.002	2	106.8770	0.799	29	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(SC[6a]OO)(H){1|C<4>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HS)(H)2{1|O<1>,4|C<3>}	H(C[6]C[6]2S)	108.0020	0.000	1	108.0020	0.000	1	108.0020	0.000	1	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a,6a]N[6a])(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a,6a]N[6a])(C[6]C[6,6]HH)(C[6]C[6]HH)(H){3|C<3>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6a]C[6]H)(H)2{1|C<3>,1|N<2>,4|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	108.6860	0.000	1	108.6860	0.000	1	108.6860	0.000	1	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HH)(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.1013	0.152	3	107.0272	0.141	5	106.6063	0.400	10	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HH)(H){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.9160	0.690	2	107.0272	0.141	5	106.6063	0.400	10	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(F)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HO)(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(F)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.8070	0.000	1	106.8070	0.000	1	106.6063	0.400	10	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]FH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)2(H){1|C<4>,2|C<3>,2|F<1>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.0300	0.509	4	106.0300	0.259	4	106.6063	0.400	10	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2(H){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.2085	0.054	4	106.2085	0.003	4	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.3660	0.000	1	107.3660	0.000	1	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.5760	0.000	1	107.5760	0.000	1	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.5870	0.000	1	106.5870	0.000	1	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2(H){1|N<2>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]2)	107.0635	0.005	2	107.0635	0.000	2	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a,6a]N[6a])(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CC)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a,6a]N[6a])(C[6]C[6,6]HH)(C[6]C[6]HH)(H){3|C<3>,5|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CC)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]2)	108.7770	0.000	1	108.7770	0.000	1	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]BrC)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]2H)(C[6]C[6]HH)(H){1|Br<1>,3|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]BrC)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.7150	0.000	1	107.7150	0.000	1	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.8530	0.116	2	106.8530	0.013	2	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<4>,2|C<2>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.6640	0.000	1	106.6443	0.014	3	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	106.6345	0.165	2	106.6443	0.014	3	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<2>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.0543	0.182	3	107.0543	0.033	3	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[5a]O[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[5a]O[6]H)(C[6]C[6a]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.3520	0.000	1	107.3520	0.000	1	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.0630	0.000	1	107.2945	0.107	2	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.5260	0.000	1	107.2945	0.107	2	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.1565	0.016	2	108.0313	2.296	3	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	109.7810	0.000	1	108.0313	2.296	3	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2{1|C<4>,2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	108.0030	0.000	1	107.1186	0.470	9	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2{1|C<4>,1|N<2>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.5510	0.231	4	107.1186	0.470	9	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2{1|C<4>,2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	107.7493	0.195	3	107.1186	0.470	9	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2{1|C<4>,2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	106.6120	0.000	1	107.1186	0.470	9	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	110.0970	0.000	1	108.2156	1.114	16	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]2)	107.9100	0.075	2	108.2156	1.114	16	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6a]C[6]2)	107.5990	0.000	1	108.2156	1.114	16	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.8200	0.000	1	108.2156	1.114	16	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.8672	0.520	9	108.2156	1.114	16	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6a]C[6]2)	109.6545	2.245	2	108.2156	1.114	16	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]2)	106.1400	0.000	1	106.1400	0.000	1	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]2)	104.4168	0.104	4	104.4168	0.011	4	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6a]C[6]2)	106.9585	0.367	2	106.9585	0.135	2	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HH)(H){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	106.9135	0.616	2	106.9135	0.379	2	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HH)(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|F<1>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.1487	0.152	3	107.1487	0.023	3	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2{1|C<4>,2|H<1>,2|N<3>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.3260	0.000	1	106.3260	0.000	1	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|O<2>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6a]C[6]2)	105.5115	0.356	2	105.5115	0.127	2	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.6960	0.023	2	107.7580	1.177	13	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.9511	1.071	11	107.7580	1.177	13	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<3>,2|O<2>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6a]C[6]2)	107.8275	0.206	2	107.8275	0.042	2	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]OO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]OO)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6a]C[6]2)	105.4620	0.000	1	105.4620	0.000	1	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]CC)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]CC)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	106.2280	0.000	1	106.2280	0.000	1	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CN)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CN)(H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.3130	0.000	1	107.3130	0.000	1	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	109.5000	0.000	1	108.7220	1.211	2	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.9440	0.000	1	108.7220	1.211	2	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HO)(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.5540	0.000	1	106.5540	0.000	1	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]CH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.7480	0.000	1	107.7480	0.000	1	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.4090	0.344	2	107.7460	0.400	3	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]HH)(H){3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	108.4200	0.000	1	107.7460	0.400	3	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]BrH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]CH)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]BrH)(H)2{1|Cl<1>,1|H<1>,1|S<2>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.5140	0.000	1	108.5140	0.000	1	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]CH)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|S<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.9225	0.245	2	106.9225	0.060	2	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]O[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<2>,3|C<3>,5|H<1>}	C[6](C[6]C[5a]O[6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.4780	0.000	1	107.5395	0.008	2	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[5a]O[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){2|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[5a]O[6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.6010	0.000	1	107.5395	0.008	2	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.4285	0.036	2	107.0680	0.695	8	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	106.8045	0.012	2	107.0680	0.695	8	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.0195	1.219	4	107.0680	0.695	8	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]BrH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]BrH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6a]C[6]2)	107.6160	0.000	1	107.6160	0.000	1	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6a]C[6]2)	107.5470	0.000	1	106.9992	0.098	5	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6a]C[6]2)	106.8623	0.079	4	106.9992	0.098	5	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(H)2{2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.6440	0.000	1	107.4560	0.071	2	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(H)2{1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.2680	0.000	1	107.4560	0.071	2	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2O)(H)2{1|N<3>,4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.6530	0.000	1	107.6530	0.000	1	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<2>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H)2{3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.9520	0.000	1	107.4974	0.077	5	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H)2{3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.3837	0.126	4	107.4974	0.077	5	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.5190	0.000	1	107.2788	0.397	5	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.9030	0.000	1	107.2788	0.397	5	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.5300	0.600	2	107.2788	0.397	5	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.9120	0.000	1	107.2788	0.397	5	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CN)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CN)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.0910	0.000	1	107.0910	0.000	1	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(H)2{3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	104.6660	0.000	1	104.6660	0.000	1	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CS)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|S<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CS)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.8450	0.000	1	107.9030	0.007	2	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CS)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|S<2>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CS)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	107.9610	0.000	1	107.9030	0.007	2	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.2350	0.240	4	107.2313	1.132	172	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.7098	0.253	24	107.2313	1.132	172	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.1590	0.000	1	107.2313	1.132	172	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.9123	0.399	6	107.2313	1.132	172	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|S<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.8280	0.000	1	107.2313	1.132	172	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.1925	0.013	2	107.2313	1.132	172	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.4055	0.066	2	107.2313	1.132	172	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.3354	0.299	68	107.2313	1.132	172	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.0417	1.570	14	107.2313	1.132	172	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|F<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]2)	107.4330	0.000	1	107.2313	1.132	172	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]2)	107.3468	0.401	6	107.2313	1.132	172	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.7666	1.328	20	107.2313	1.132	172	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.6265	0.032	4	107.2313	1.132	172	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	107.2360	0.000	1	107.2313	1.132	172	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.5137	0.203	3	107.2313	1.132	172	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|S<2>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	107.9600	0.000	1	107.2313	1.132	172	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.5620	0.631	2	107.2313	1.132	172	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.2379	0.324	9	107.2313	1.132	172	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.1460	0.000	1	107.2313	1.132	172	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	97.0475	0.000	1	107.2313	1.132	172	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){3|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.2070	0.000	1	107.2313	1.132	172	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.0960	0.000	1	107.0960	0.000	1	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]OO)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]OO)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.0140	0.000	1	108.0140	0.000	1	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<3>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(H)2{1|C<4>,1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.0555	0.047	2	107.9710	0.023	3	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<3>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.8020	0.000	1	107.9710	0.023	3	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<2>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.3000	0.286	2	107.3000	0.082	2	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	108.1820	0.315	2	108.0017	0.147	3	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]2)	107.6410	0.000	1	108.0017	0.147	3	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]2)	107.6550	0.000	1	107.4205	0.185	19	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.0270	0.000	1	107.4205	0.185	19	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.2775	0.039	2	107.4205	0.185	19	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]2)	107.1026	0.336	8	107.4205	0.185	19	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<3>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	108.1080	0.083	2	107.4205	0.185	19	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<3>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.7950	0.000	1	107.4205	0.185	19	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.7300	0.037	4	107.4205	0.185	19	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.6600	0.000	1	107.4953	0.027	3	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	107.4130	0.117	2	107.4953	0.027	3	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	107.4125	0.110	2	107.3918	0.044	6	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<2>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	107.3000	0.254	3	107.3918	0.044	6	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){2|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	107.6260	0.000	1	107.3918	0.044	6	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)2(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)2(H)2{4|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.5750	0.000	1	106.8625	0.165	2	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)2(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)2(H)2{4|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.1500	0.000	1	106.8625	0.165	2	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	108.0110	0.000	1	107.7970	0.140	3	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(C[6]N[6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.6900	0.460	2	107.7970	0.140	3	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.7113	0.523	3	107.6931	0.096	28	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.5980	0.382	2	107.6931	0.096	28	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.7357	0.187	18	107.6931	0.096	28	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.1730	0.102	3	107.6931	0.096	28	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6a]C[6]2)	108.1575	0.025	2	107.6931	0.096	28	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	107.7763	0.467	4	107.7158	0.140	6	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]2)	107.5950	0.028	2	107.7158	0.140	6	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)2(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)2(H)2{1|C<4>,2|C<3>,2|N<2>,4|H<1>}	H(C[6]C[6a]C[6]2)	108.1881	1.475	12	108.1881	2.176	12	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]O[6a])(C[6]C[6]HH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]O[6a])(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.3585	0.042	2	107.3585	0.002	2	107.3414	0.996	389	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]CH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]HH)(H){1|F<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]CH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	108.2700	0.000	1	108.2700	0.000	1	107.3543	1.788	3	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]2)	105.8200	0.000	1	105.8200	0.000	1	107.3543	1.788	3	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]CH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.9730	0.000	1	107.9730	0.000	1	107.3543	1.788	3	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(N[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(N[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.5520	0.000	1	107.5520	0.000	1	107.5520	0.000	1	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[3]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[3]B[3,4]C[3])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]N[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[3])	C[6](N[3]B[3,4]C[3])(C[6]C[6]HH)2(H){1|Fe<8>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[6]N[3]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2N[3])	108.2712	0.058	4	108.2712	0.003	4	108.3551	0.288	9	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[3]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[3]B[3]C[3])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]N[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[3])	C[6](N[3]B[3]C[3])(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]N[3]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2N[3])	108.5530	0.100	2	108.5530	0.010	2	108.3551	0.288	9	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[3]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[3]C[3,6]Nb[3])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]N[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[3])	C[6](N[3]C[3,6]Nb[3])(C[6]C[6]HH)2(H){2|N<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6]N[3]H)(C[6]C[6]HH)(H)2{1|Nb<5>,2|C<4>,4|H<1>}	H(C[6]C[6]2N[3])	107.7330	0.006	2	107.7330	0.000	2	108.3551	0.288	9	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[3]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[3]C[3]N[3])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]N[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[3])	C[6](N[3]C[3]N[3])(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]N[3]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2N[3])	109.5390	0.000	1	109.5390	0.000	1	108.3551	0.288	9	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[4,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[4,6]CH)(C[6]C[6]HH)(H)2	H(C[6]N[4,6]C[6]C)	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]HH)(CH3)(H){1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]N[4,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[4,6]C[6]C)	108.2090	0.000	1	108.2090	0.000	1	108.2090	0.000	1	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[4]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[4]B[3,4]C[4])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[4])	C[6](N[4]B[3,4]C[4])(C[6]C[6]HH)2(H){1|Cr<6>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2N[4])	108.6155	0.285	4	108.6155	0.081	4	108.5240	0.691	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[4]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[4]B[4]C[4])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[4])	C[6](N[4]B[4]C[4])(C[6]C[6]HH)2(H){1|B<3>,1|N<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|B<3>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2N[4])	107.7295	0.023	2	107.6124	0.349	22	108.5240	0.691	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[4]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[4]B[4]C[4])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[4])	C[6](N[4]B[4]C[4])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|B<3>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2N[4])	107.1357	0.373	3	107.6124	0.349	22	108.5240	0.691	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[4]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[4]B[4]C[4])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[4])	C[6](N[4]B[4]C[4])(C[6]C[6]HH)2(H){1|Mn<8>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|B<3>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2N[4])	106.5173	0.239	3	107.6124	0.349	22	108.5240	0.691	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[4]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[4]B[4]C[4])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[4])	C[6](N[4]B[4]C[4])(C[6]C[6]HH)2(H){2|Br<1>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2N[4])	108.1240	0.341	4	107.6124	0.349	22	108.5240	0.691	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[4]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[4]B[4]C[4])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[4])	C[6](N[4]B[4]C[4])(C[6]C[6]HH)2(H){2|Cl<1>,1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2N[4])	107.7417	0.299	6	107.6124	0.349	22	108.5240	0.691	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[4]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[4]B[4]C[4])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[4])	C[6](N[4]B[4]C[4])(C[6]C[6]HH)2(H){2|Cl<1>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2N[4])	108.0270	0.040	4	107.6124	0.349	22	108.5240	0.691	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[4]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[4]Ga[4]C[4])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[4])	C[6](N[4]Ga[4]C[4])(C[6]C[6]HH)2(H){1|Cl<1>,1|Fe<8>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|Ga<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2N[4])	109.0725	0.137	4	109.0913	0.173	32	108.5240	0.691	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[4]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[4]Ga[4]C[4])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[4])	C[6](N[4]Ga[4]C[4])(C[6]C[6]HH)2(H){1|Ga<4>,1|I<1>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|Ga<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2N[4])	109.0100	0.473	16	109.0913	0.173	32	108.5240	0.691	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[4]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[4]Ga[4]C[4])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[4])	C[6](N[4]Ga[4]C[4])(C[6]C[6]HH)2(H){1|N<3>,2|C<4>,2|I<1>,4|H<1>}	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|Ga<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2N[4])	109.1845	0.163	4	109.0913	0.173	32	108.5240	0.691	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[4]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[4]Ga[4]C[4])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[4])	C[6](N[4]Ga[4]C[4])(C[6]C[6]HH)2(H){2|Ga<4>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|Ga<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2N[4])	109.2166	0.479	8	109.0913	0.173	32	108.5240	0.691	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[4]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[4]In[4]C[4])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[4])	C[6](N[4]In[4]C[4])(C[6]C[6]HH)2(H){1|Br<1>,1|Fe<8>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|In<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2N[4])	108.9082	0.093	4	108.9082	0.009	4	108.5240	0.691	62	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[4a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[4a]C[4a]2)(C[6]C[6]HH)2(H)	C[6](C[6]N[4a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[4a]C[6]2)	C[6](N[4a]C[4a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,2|N<2>,4|H<1>}	C[6](C[6]N[4a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]N[4a]C[6]2)	107.8263	0.093	3	107.8263	0.009	3	107.8263	0.009	3	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6,6]C[5,5,6,6]C[5,3x6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[5,6,6]CH)(C[6]C[3x6]HH)(H)2	H(C[6]N[5,6,6]C[6]C)	C[6](N[5,6,6]C[5,5,6,6]C[5,3x6])(C[6]C[6]HH)(CH3)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]N[5,6,6]CH)(C[6]C[3x6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]N[5,6,6]C[6]C)	104.4250	0.715	3	104.4250	0.511	3	104.4250	0.511	3	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6a]C[5])(C[5]C[5]2Fe)(C[6]C[6]HH)(H)	C[6](C[6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]N[5,6]C[5]C[6])	C[6](N[5,6]C[5,6,6a]C[5])(C[5]C[5]2Fe)(C[6]C[6]HH)(H){1|Ir<6>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|Fe<10>,2|C<4>,3|C<3>}	H(C[6]N[5,6]C[5]C[6])	107.4200	0.543	2	107.4200	0.295	2	107.4200	0.295	2	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]S[5])(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[5,6]CH)(H)2	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]S[5])(C[6]C[6,6]HH)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[5,6]CH)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(C[6]N[5,6]C[6]C)	107.2100	0.000	1	107.2100	0.000	1	107.2100	0.000	1	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,5,6]O[5])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,5,6]O[5])(C[6]C[6]HH)(CCHH)(H){2|H<1>,4|C<4>}	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]N[5,6]C[6]C)	106.4425	0.217	4	106.4425	0.047	4	107.7873	0.982	19	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]HO)(C[6]N[5,6]CH)(H)2	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]N[5,6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]N[5,6]C[6]C)	106.8930	0.000	1	106.8930	0.000	1	107.7873	0.982	19	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CCHH)(H){2|H<1>,4|C<4>}	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]N[5,6]C[6]C)	108.5360	0.000	1	108.5360	0.000	1	107.7873	0.982	19	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CHHO)(H){2|H<1>,4|C<4>}	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]N[5,6]C[6]C)	108.6400	0.449	3	108.6400	0.202	3	107.7873	0.982	19	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6a]HH)(C[6]N[5,6]CH)(H)2	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CCCH)(H){1|O<2>,1|P<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[5,6]CH)(H)2{1|C<4>,2|C<3>}	H(C[6]N[5,6]C[6]C)	107.6880	0.372	2	107.6880	0.138	2	107.7873	0.982	19	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[5,6]CH)(H)2	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]N[5,6]CH)(H)2{3|C<3>}	H(C[6]N[5,6]C[6]C)	107.4650	0.000	1	107.4650	0.000	1	107.7873	0.982	19	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HN)(H)2	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[6a]HH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]N[5,6]CH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]C)	107.6440	0.000	1	107.6440	0.000	1	107.7873	0.982	19	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]C)	108.8332	0.413	4	108.8332	0.171	4	107.7873	0.982	19	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]N[5,6]CH)(C[6]N[6]HH)(H)2	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CHHO)(H){1|N<2>,2|C<4>,4|H<1>}	C[6](C[6]N[5,6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]N[5,6]C[6]C)	108.2270	0.000	1	108.2270	0.000	1	107.7873	0.982	19	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]O[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]O[5])(C[6]C[6]HH)(CH3)(H){3|C<4>,3|H<1>}	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]N[5,6]C[6]C)	106.7940	0.000	1	106.7940	0.000	1	107.7873	0.982	19	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6]N[5,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]N[5,6]C[6]2)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[6]N[5,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]2)	107.4070	0.000	2	107.4070	0.000	2	107.4070	0.000	2	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](N[5]C[5]S[5])(C[6]C[6]BrH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2N[5])	C[6](N[5]C[5]S[5])(C[6]C[6]BrH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|O<1>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	H(C[6]C[6]2N[5])	107.4220	0.000	1	107.4220	0.000	1	107.4220	0.000	1	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5]B[5]C[5])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](N[5]B[5]C[5])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N[5])	107.3425	0.055	4	107.3425	0.003	4	107.4698	1.126	115	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5]B[5]C[5])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](N[5]B[5]C[5])(C[6]C[6]HH)2(H){1|B<4>,1|C<4>,3|N<3>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|B<3>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	106.2030	0.000	1	106.6227	0.133	3	107.4698	1.126	115	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5]B[5]C[5])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](N[5]B[5]C[5])(C[6]C[6]HH)2(H){2|Cl<1>,1|B<3>,1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	106.8325	0.035	2	106.6227	0.133	3	107.4698	1.126	115	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2N[5])	106.2220	0.000	1	106.2220	0.000	1	107.4698	1.126	115	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	106.7395	0.013	2	106.7982	0.277	6	107.4698	1.126	115	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	106.7480	0.051	2	106.7982	0.277	6	107.4698	1.126	115	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	106.9070	1.160	2	106.7982	0.277	6	107.4698	1.126	115	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5]C[5,6]C[5])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](N[5]C[5,6]C[5])(C[6]C[6]HH)2(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	107.8815	1.958	2	107.8815	3.834	2	107.4698	1.126	115	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2N[5])	106.4723	0.090	3	106.4723	0.008	3	107.4698	1.126	115	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)2(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	107.8605	6.676	2	107.0799	2.348	21	107.4698	1.126	115	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	106.8385	0.235	4	107.0799	2.348	21	107.4698	1.126	115	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	106.7735	0.258	4	107.0799	2.348	21	107.4698	1.126	115	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	107.1372	0.125	11	107.0799	2.348	21	107.4698	1.126	115	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5]C[5,6a]C[5])(C[6]C[6]N[5]H)(C[6]C[6]HH)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](N[5]C[5,6a]C[5])(C[6]C[6]N[5]H)(C[6]C[6]HH)(H){1|Pd<4>,1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2N[5])	107.2515	1.406	2	107.2515	1.978	2	107.4698	1.126	115	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5]C[5,6a]Se[5])(C[6]C[6]N[5]H)(C[6]C[6]HH)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](N[5]C[5,6a]Se[5])(C[6]C[6]N[5]H)(C[6]C[6]HH)(H){1|Se<2>,1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|Se<2>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N[5])	108.9770	0.540	2	108.9770	0.292	2	107.4698	1.126	115	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5]C[5]N[5])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2N[5])	C[6](N[5]C[5]N[5])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|Pd<4>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2N[5])	106.6819	0.472	22	106.6819	0.222	22	107.4698	1.126	115	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5]C[5]N[5])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](N[5]C[5]N[5])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6]2N[5])	108.2620	0.066	3	108.0072	0.197	12	107.4698	1.126	115	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5]C[5]N[5])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](N[5]C[5]N[5])(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2N[5])	107.9222	0.487	9	108.0072	0.197	12	107.4698	1.126	115	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5]C[5]O[5])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](N[5]C[5]O[5])(C[6]C[6]HH)2(H){1|B<4>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]2N[5])	107.9820	0.047	2	107.9820	0.002	2	107.4698	1.126	115	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5]C[5]P[5])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](N[5]C[5]P[5])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|P<2>,4|H<1>}	H(C[6]C[6]2N[5])	108.2845	0.518	15	108.2845	0.268	15	107.4698	1.126	115	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5]C[5]S[5])(C[6]C[6]BrH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](N[5]C[5]S[5])(C[6]C[6]BrH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|O<1>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[6]2N[5])	107.4910	0.000	1	107.4910	0.000	1	107.4698	1.126	115	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5]Ga[4,5]C[5])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](N[5]Ga[4,5]C[5])(C[6]C[6]HH)2(H){1|Cl<1>,1|C<3>,1|C<4>,2|N<4>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|Ga<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	107.8900	2.274	2	107.8900	5.171	2	107.4698	1.126	115	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5]Ga[5]C[5])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](N[5]Ga[5]C[5])(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|Ga<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	108.8218	0.066	4	108.8218	0.004	4	107.4698	1.126	115	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5]Ge[5]C[5])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](N[5]Ge[5]C[5])(C[6]C[6]HH)2(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<6>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|Ge<3>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	108.4830	0.034	2	108.4830	0.001	2	107.4698	1.126	115	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5]Se[5]C[5])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](N[5]Se[5]C[5])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|Se<2>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	108.0330	0.083	7	108.0044	0.008	9	107.4698	1.126	115	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5]Se[5]C[5])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](N[5]Se[5]C[5])(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|Se<2>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	107.9045	0.030	2	108.0044	0.008	9	107.4698	1.126	115	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5]Si[5]C[5])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](N[5]Si[5]C[5])(C[6]C[6]HH)2(H){1|C<4>,1|N<2>,2|C<3>,2|C<6>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	107.7910	0.016	2	107.7910	0.000	2	107.4698	1.126	115	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a]C[5a]N[5a])(C[6]C[5,6]HH)(C[6]C[6]HW)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5a]C[6]H)(H)2	H(C[6]N[5a]C[6]2)	C[6](N[5a]C[5a]N[5a])(C[6]C[5,6]HH)(C[6]C[6]HW)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5a]C[6]H)(H)2{1|C<3>,1|N<2>,1|N<3>,1|W<7>,2|C<4>,3|H<1>}	H(C[6]N[5a]C[6]2)	107.2570	0.000	1	107.2570	0.000	1	107.2570	0.000	1	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]CO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]N[5a]C[6]H)(H)2	H(C[6]N[5a]C[6]2)	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]CO)(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]N[5a]C[6]H)(H)2{1|H<1>,1|N<2>,1|O<2>,2|C<3>,5|C<4>}	H(C[6]N[5a]C[6]2)	106.2690	0.000	1	106.2690	0.000	1	106.2690	0.000	1	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a]C[5,5a]C[5a])(C[6]C[6]HH)2(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[5a]C[6]2)	C[6](N[5a]C[5,5a]C[5a])(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,2|N<2>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]N[5a]C[6]2)	107.9055	0.029	2	107.9055	0.001	2	107.6468	1.651	51	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a]C[5a,5a]C[5a])(C[6]C[6]HH)2(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[5a]C[6]2)	C[6](N[5a]C[5a,5a]C[5a])(C[6]C[6]HH)2(H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]N[5a]C[6]2)	107.1210	0.014	2	107.1210	0.000	2	107.6468	1.651	51	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[5a]C[6]2)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]N[5a]C[6]2)	107.5970	0.133	2	107.5970	0.018	2	107.6468	1.651	51	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[5a]C[6]2)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]N[5a]C[6]2)	104.8992	0.587	4	105.6155	1.438	6	107.6468	1.651	51	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[5a]C[6]2)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,2|N<2>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]N[5a]C[6]2)	107.0480	0.014	2	105.6155	1.438	6	107.6468	1.651	51	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H)	C[6](C[6]N[5a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]N[5a]C[6]2)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H){1|O<1>,2|C<3>,2|N<3>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]N[5a]C[6]2)	108.1853	1.779	7	108.1853	3.163	7	107.6468	1.651	51	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[5a]C[6]2)	C[6](N[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]N[5a]C[6]2)	106.5600	0.007	2	106.5600	0.000	2	107.6468	1.651	51	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a]C[5a]2)(C[6]C[6]HH)2(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[5a]C[6]2)	C[6](N[5a]C[5a]2)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]N[5a]C[6]2)	107.5985	0.012	2	107.1822	0.401	6	107.6468	1.651	51	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a]C[5a]2)(C[6]C[6]HH)2(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[5a]C[6]2)	C[6](N[5a]C[5a]2)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,2|N<2>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]N[5a]C[6]2)	106.3645	0.029	2	107.1822	0.401	6	107.6468	1.651	51	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a]C[5a]2)(C[6]C[6]HH)2(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[5a]C[6]2)	C[6](N[5a]C[5a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]N[5a]C[6]2)	107.5835	0.022	2	107.1822	0.401	6	107.6468	1.651	51	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]N[5a]C[6]2)	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]N[5a]C[6]2)	107.4590	0.409	2	107.4590	0.167	2	107.6468	1.651	51	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6a]ClH)(C[6]C[6]HH)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]N[5a]C[6]2)	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6a]ClH)(C[6]C[6]HH)(H){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6a]HH)(H)2{1|Cl<1>,1|H<1>,1|N<2>,3|C<3>}	H(C[6]N[5a]C[6]2)	108.6930	0.000	1	108.6930	0.000	1	107.6468	1.651	51	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[5a]C[6]2)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	H(C[6]N[5a]C[6]2)	108.8490	0.000	1	108.8490	0.000	1	107.6468	1.651	51	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[5a]C[6]2)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]N[5a]C[6]2)	107.7395	0.012	2	108.3213	0.823	16	107.6468	1.651	51	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[5a]C[6]2)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]N[5a]C[6]2)	108.1665	0.067	2	108.3213	0.823	16	107.6468	1.651	51	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[5a]C[6]2)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,2|N<2>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]N[5a]C[6]2)	108.2255	1.148	2	108.3213	0.823	16	107.6468	1.651	51	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[5a]C[6]2)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]N[5a]C[6]2)	107.8865	0.023	2	108.3213	0.823	16	107.6468	1.651	51	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[5a]C[6]2)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){2|C<4>,2|N<2>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]N[5a]C[6]2)	108.6381	1.140	8	108.3213	0.823	16	107.6468	1.651	51	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	C[6](C[6]N[5a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]N[5a]C[6]2)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[6]N[5a]C[6]2)	107.7860	0.011	2	107.7860	0.000	2	107.6468	1.651	51	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a]N[5a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[5a]C[6]2)	C[6](N[5a]N[5a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|N<2>,3|H<1>}	H(C[6]N[5a]C[6]2)	108.4980	0.000	1	108.4980	0.000	1	107.6468	1.651	51	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a]N[5a]2)(C[6]C[6]HH)2(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[5a]C[6]2)	C[6](N[5a]N[5a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|N<2>,4|H<1>}	H(C[6]N[5a]C[6]2)	107.8660	0.000	1	107.8660	0.000	1	107.6468	1.651	51	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]C)	107.9805	0.023	2	107.9805	0.001	2	107.5175	1.506	11	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]C)	109.0035	0.009	2	109.0035	0.000	2	107.5175	1.506	11	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]C)	106.5020	0.000	1	106.5020	0.000	1	107.5175	1.506	11	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]C)	107.0075	0.066	2	106.5506	0.175	5	107.5175	1.506	11	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2{2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]C)	106.2460	0.021	3	106.5506	0.175	5	107.5175	1.506	11	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]N[6,6]CH)(C[6]C[6]CH)(H)2	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CHHO)(H){1|S<1>,2|H<1>,4|C<4>}	C[6](C[6]N[6,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]C)	109.4700	0.000	1	109.4700	0.000	1	107.5175	1.506	11	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[5]C[5]2Fe)(C[6]C[6]HH)(H)	C[6](C[6]C[5]N[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[5]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[5]C[5]2Fe)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5]N[6]H)(C[6]N[6]HH)(H)2{1|Fe<10>,2|C<4>,3|C<3>}	H(C[6]C[5]C[6]N[6])	108.1470	0.455	3	108.1470	0.207	3	108.1470	0.207	3	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[4,6,6]C)(C[6]C[3,6]HH)(CCHH)(H)	C[6](C[3,6]C[3,4,6]2O)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[4,6,6]C)(C[6]C[3,6]HH)(CCHH)(H){1|O<2>,4|C<4>}	C[6](C[3,6]C[3,4,6]2O)(C[6]N[6]CH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]N[6]C)	107.7360	0.000	1	107.7360	0.000	1	107.7360	0.000	1	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(CH3)(H){2|C<4>,2|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.5795	0.899	2	107.5795	0.808	2	108.1714	1.492	35	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]CH)(H)2{1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6]N[6]C)	109.2780	0.000	1	109.2780	0.000	1	108.1714	1.492	35	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6]O)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[5,6]O)(C[6]C[6]HH)(CCHH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]C)	107.1070	0.000	1	107.1070	0.000	1	108.1714	1.492	35	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[6]C[6]N[6]C)	112.5120	0.000	1	112.5120	0.000	1	108.1714	1.492	35	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(CCHH)(H){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	105.7500	0.000	1	105.7500	0.000	1	108.1714	1.492	35	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CC[6a]2H)(H)	C[6](C[6]N[6,6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CC[6a]2H)(H){1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]C)	108.7450	0.000	1	108.8725	0.033	2	108.1714	1.492	35	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CC[6a]2H)(H)	C[6](C[6]N[6,6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CC[6a]2H)(H){2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]C)	109.0000	0.000	1	108.8725	0.033	2	108.1714	1.492	35	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]C)	106.6883	1.895	3	106.6883	3.590	3	108.1714	1.492	35	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CHHS)(H)	C[6](C[6]N[6,6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CHHS)(H){2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]C)	108.4905	0.542	4	108.4905	0.294	4	108.1714	1.492	35	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CCCH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2{3|C<3>}	H(C[6]C[6]N[6]C)	106.9260	0.000	1	106.9260	0.000	1	108.1714	1.492	35	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]N[6]C)	108.6010	0.000	1	108.6010	0.000	1	108.1714	1.492	35	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]N[6]C)	108.2150	0.000	1	108.2150	0.000	1	108.1714	1.492	35	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2{3|C<3>}	H(C[6]C[6]N[6]C)	108.2126	0.412	10	108.2126	0.169	10	108.1714	1.492	35	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]N[6]C)	108.7170	0.000	1	108.7170	0.000	1	108.1714	1.492	35	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]N[6]C)	109.1170	0.000	1	109.1170	0.000	1	108.1714	1.492	35	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]HO)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]N[6]C)	109.0320	0.000	1	109.0320	0.000	1	108.1714	1.492	35	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]P)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]P)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2{1|P<3>,2|C<3>}	H(C[6]C[6]N[6]C)	107.9700	0.000	1	107.9700	0.000	1	108.1714	1.492	35	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CBHH)(H)	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CBHH)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2{3|C<3>}	H(C[6]C[6]N[6]C)	108.5390	0.000	1	108.5390	0.000	1	108.1714	1.492	35	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[6]CC)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(CC[6a]HH)(H){2|C<4>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|N<2>}	H(C[6]C[6]N[6]C)	107.6940	0.000	1	107.5895	0.022	2	108.1714	1.492	35	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[6]CC)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(CC[6a]HH)(H){2|C<4>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]N[6]CH)(H)2{1|N<2>,2|C<3>}	H(C[6]C[6]N[6]C)	107.4850	0.000	1	107.5895	0.022	2	108.1714	1.492	35	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]B[6]C[6])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](N[6]B[6]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|B<3>,1|C<2>,1|C<4>,4|H<1>}	H(C[6]C[6]2N[6])	107.4330	0.047	4	106.6226	1.440	7	107.2039	1.397	33	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]B[6]C[6])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](N[6]B[6]C[6])(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2N[6])	105.5420	1.118	3	106.6226	1.440	7	107.2039	1.397	33	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|N<2>,3|C<4>,5|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N[6])	107.1560	0.061	2	106.8620	0.163	8	107.2039	1.397	33	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N[6])	106.7490	0.048	2	106.8620	0.163	8	107.2039	1.397	33	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)2(H){1|N<2>,4|C<4>,5|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N[6])	106.7715	0.549	4	106.8620	0.163	8	107.2039	1.397	33	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C[6])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](N[6]C[6,6a]C[6])(C[6]C[6]HH)2(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[6])	105.8230	0.574	4	105.8230	0.330	4	107.2039	1.397	33	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]N[6])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]N[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](N[6]C[6]N[6])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|S<4>,2|H<1>}	H(C[6]C[6]2N[6])	107.7610	0.020	2	107.7610	0.000	2	107.2039	1.397	33	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]In[6]C[6])(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](N[6]In[6]C[6])(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|In<4>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N[6])	108.2920	0.197	7	107.8709	1.452	8	107.2039	1.397	33	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]In[6]C[6])(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](N[6]In[6]C[6])(C[6]C[6]HH)(C[6]C[6]HN)(H){2|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|In<4>,1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2N[6])	104.9230	0.000	1	107.8709	1.452	8	107.2039	1.397	33	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]In[6]C[6])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]N[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](N[6]In[6]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]N[6]HH)(H)2{1|In<4>,1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2N[6])	108.6735	0.087	4	108.6735	0.008	4	107.2039	1.397	33	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(PC[6a]2O)(H)	C[6](C[6]C[6,6a]HP)(C[6]N[6]HP)(H)2	H(C[6]C[6]N[6]P)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(PC[6a]2O)(H){1|H<1>,1|P<4>,2|C<3>}	C[6](C[6]C[6,6a]HP)(C[6]N[6]HP)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]N[6]P)	109.2200	0.000	1	109.2200	0.000	1	109.2200	0.000	1	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6a]C[6,6a]C[6a])(C[6]C[6]HH)2(H)	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[6a]C[6]2)	C[6](N[6a]C[6,6a]C[6a])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]N[6a]C[6]2)	105.9815	0.069	2	105.9815	0.005	2	106.3370	1.138	20	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2(H)	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[6a]C[6]2)	C[6](N[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2(H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]N[6a]C[6]2)	105.0510	0.000	1	107.3090	1.042	7	106.3370	1.138	20	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2(H)	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[6a]C[6]2)	C[6](N[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]N[6a]C[6]2)	107.6853	0.247	6	107.3090	1.042	7	106.3370	1.138	20	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[6a]C[6]2)	C[6](N[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,4|H<1>}	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]N[6a]C[6]2)	104.6465	0.011	2	105.7831	0.513	11	106.3370	1.138	20	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[6a]C[6]2)	C[6](N[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]N[6a]C[6]2)	106.0357	0.497	9	105.7831	0.513	11	106.3370	1.138	20	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	P-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[3x3,4,3x5,14x6]C[6])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[3x3,4,3x5,14x6]C[6])(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.6769	2.731	8	106.6769	7.459	8	106.6769	7.459	8	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	P[3]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[3]C[3,3]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]P[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2P[3])	C[6](P[3]C[3,3]2)(C[6]C[6]HH)2(H){1|P<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]P[3]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2P[3])	109.6615	0.115	4	109.6615	0.013	4	109.6615	0.013	4	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	P[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[5]As[5]P[5])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2P[5])	C[6](P[5]As[5]P[5])(C[6]C[6]HH)2(H){1|Li<4>,2|C<4>,2|P<3>,4|H<1>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|As<3>,1|C<4>,1|P<3>,4|H<1>}	H(C[6]C[6]2P[5])	109.0170	0.175	3	109.1318	0.030	6	109.1318	0.030	6	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	P[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[5]As[5]P[5])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2P[5])	C[6](P[5]As[5]P[5])(C[6]C[6]HH)2(H){2|C<4>,2|P<3>,4|H<1>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|As<2>,1|C<4>,1|P<3>,4|H<1>}	H(C[6]C[6]2P[5])	109.2467	0.066	3	109.1318	0.030	6	109.1318	0.030	6	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	P[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6]C[6,6a]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2P[6])	C[6](P[6]C[6,6a]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]P[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2P[6])	108.9090	0.000	1	108.9090	0.000	1	108.9090	0.000	1	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	S[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](S[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]S[6]CH)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]C)	C[6](S[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)(H){1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]S[6]CH)(C[6]S[6]HH)(H)2{1|C<4>,1|O<1>}	H(C[6]C[6]S[6]C)	108.0695	0.370	2	108.0695	0.137	2	108.3870	0.371	3	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	S[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](S[6]C[6,6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]S[6]CH)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]C)	C[6](S[6]C[6,6]O)(C[6]C[6]HH)(CH3)(H){1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]S[6]CH)(C[6]S[6]HH)(H)2{1|C<4>,1|O<1>}	H(C[6]C[6]S[6]C)	109.0220	0.000	1	109.0220	0.000	1	108.3870	0.371	3	107.4920	1.214	1171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5a]C[6]2)	106.8720	0.000	1	106.8720	0.000	1	107.0503	0.108	3	107.3926	0.867	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(C[6]N[6]CH)(H)	C[6](C[6]C[5a]C[6]H)2(OH)(H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(C[6]N[6]CH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6]H)2(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[6]C[5a]C[6]2)	106.8490	0.000	1	106.8490	0.000	1	107.0503	0.108	3	107.3926	0.867	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HO)(C[6]N[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HO)(C[6]N[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,1|N<4>,4|H<1>}	H(C[6]C[5a]C[6]2)	107.4300	0.000	1	107.4300	0.000	1	107.0503	0.108	3	107.3926	0.867	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(H){3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	106.9640	0.000	1	106.9640	0.000	1	106.9640	0.000	1	107.3926	0.867	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6]-3:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(NCHH)(H)	C[6](C[6]C[6,6]HN)(C[6]O[6]CC)(OH)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(NCHH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HN)(C[6]O[6]CC)(OH)(H){2|C<3>}	H(C[6]C[6,6]C[6]N)	107.2090	0.000	1	107.2090	0.000	1	107.2090	0.000	1	107.3926	0.867	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCHO)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(OH)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCHO)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(OH)(H){1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	107.2900	0.000	1	107.2900	0.000	1	107.2975	0.444	4	107.3926	0.867	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(OH)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(OH)(H){1|S<4>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	107.5810	0.000	1	107.5810	0.000	1	107.2975	0.444	4	107.3926	0.867	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CHHO)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	107.9380	0.000	1	107.9380	0.000	1	107.2975	0.444	4	107.3926	0.867	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CN[5]HH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HN)(OP)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CN[5]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HN)(OP)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	106.3810	0.000	1	106.3810	0.000	1	107.2975	0.444	4	107.3926	0.867	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[6]C[3,6]O)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CN)(H)	H(C[6]C[6]2C)	C[6](C[6]C[3,6]O)(C[6]C[6]CH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CN)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2C)	104.1990	0.000	1	104.1990	0.000	1	104.1990	0.000	1	107.3926	0.867	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.3070	0.038	2	107.3070	0.001	2	107.4221	0.079	7	107.3926	0.867	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.3960	0.000	1	107.3960	0.000	1	107.4221	0.079	7	107.3926	0.867	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.3677	0.360	3	107.3677	0.130	3	107.4221	0.079	7	107.3926	0.867	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.8420	0.000	1	107.8420	0.000	1	107.4221	0.079	7	107.3926	0.867	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]2C)(C[6]C[6]HO)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]2H)(OC)(H)	H(C[6]C[6]3)	C[6](C[6]C[5,6]C)(C[6]C[6]2C)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]2H)(OC)(H){2|C<3>,5|C<4>}	H(C[6]C[6]3)	105.9550	0.000	1	105.9550	0.000	1	105.9550	0.000	1	107.3926	0.867	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.6750	0.000	1	107.6750	0.000	1	107.2698	0.442	20	107.3926	0.867	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	106.5210	0.000	1	106.5210	0.000	1	107.2698	0.442	20	107.3926	0.867	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(OS)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HO)(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(OS)(H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.7410	0.000	1	107.2375	0.493	2	107.2698	0.442	20	107.3926	0.867	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(OS)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HO)(H){1|F<1>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(OS)(H){1|F<1>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.7340	0.000	1	107.2375	0.493	2	107.2698	0.442	20	107.3926	0.867	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(OH)(H){3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.3530	0.000	1	107.3530	0.000	1	107.2698	0.442	20	107.3926	0.867	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.5245	0.178	6	107.5245	0.032	6	107.2698	0.442	20	107.3926	0.867	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC[6])(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC[6])(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.6967	0.220	3	107.6967	0.049	3	107.2698	0.442	20	107.3926	0.867	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.6905	0.030	2	106.3822	0.740	4	107.2698	0.442	20	107.3926	0.867	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.0740	1.356	2	106.3822	0.740	4	107.2698	0.442	20	107.3926	0.867	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(OH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<3>,2|O<2>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	107.8025	0.193	2	107.8025	0.037	2	107.2698	0.442	20	107.3926	0.867	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]HH)(H){1|C<4>,2|C<3>,2|F<1>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.7710	0.000	1	107.7710	0.000	1	107.7710	0.000	1	107.3926	0.867	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(CHHO)(H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HO)(OH)(H)	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(CHHO)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]N[5,6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]C)	109.3460	0.000	1	109.3460	0.000	1	109.3460	0.000	1	107.3926	0.867	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[5]B[5]C[5])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OB[5])(H)	H(C[6]C[6]2N[5])	C[6](N[5]B[5]C[5])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OB[5])(H){1|B<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	107.3200	0.042	4	107.3200	0.002	4	107.0495	0.179	6	107.3926	0.867	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2N[5])	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	106.4280	0.000	1	106.4280	0.000	1	107.0495	0.179	6	107.3926	0.867	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2N[5])	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	106.5890	0.000	1	106.5890	0.000	1	107.0495	0.179	6	107.3926	0.867	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(CH3)(H)	C[6](C[6]N[5a,6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]N[5a,6]C[6]C)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]N[5a,6]CH)(C[6]C[6]HH)(OH)(H){1|O<1>,2|C<3>}	H(C[6]N[5a,6]C[6]C)	108.2480	0.363	2	108.2480	0.132	2	108.1808	0.206	5	107.3926	0.867	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HO)(CH3)(H)	C[6](C[6]N[5a,6]CH)(C[6]C[6]HO)(OH)(H)	H(C[6]N[5a,6]C[6]C)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HO)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]N[5a,6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	H(C[6]N[5a,6]C[6]C)	108.3675	0.596	2	108.3675	0.355	2	108.1808	0.206	5	107.3926	0.867	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]N[5a,6]CH)(C[6]S[6]HH)(OH)(H)	H(C[6]N[5a,6]C[6]C)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HO)(CCHH)(H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]N[5a,6]CH)(C[6]S[6]HH)(OH)(H){2|C<3>}	H(C[6]N[5a,6]C[6]C)	107.6730	0.000	1	107.6730	0.000	1	108.1808	0.206	5	107.3926	0.867	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]N[5a]C[6]2)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]N[5a]C[6]2)	107.6030	0.175	2	107.6030	0.031	2	107.6030	0.031	2	107.3926	0.867	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CHHO)(H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(OC)(H)	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CHHO)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]N[6,6]C[6]C)	109.3893	0.101	3	109.3893	0.010	3	109.3893	0.010	3	107.3926	0.867	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(OC)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6]C)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]C)	106.8440	0.000	1	106.8440	0.000	1	107.5717	0.237	4	107.3926	0.867	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(OH)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6]C)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(OH)(H){1|C<4>,2|C<3>}	H(C[6]C[6]N[6]C)	107.7880	0.030	2	107.7880	0.001	2	107.5717	0.237	4	107.3926	0.867	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]N[6])(C[6]C[6]HO)(CH3)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6]C)	107.8670	0.000	1	107.8670	0.000	1	107.5717	0.237	4	107.3926	0.867	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:1:	4:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](N[6]In[6]C[6])(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NC)(H)	H(C[6]C[6]2N[6])	C[6](N[6]In[6]C[6])(C[6]C[6]HH)(C[6]C[6]HN)(H){2|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NC)(H){1|In<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2N[6])	104.9500	0.000	1	104.9500	0.000	1	104.9500	0.000	1	107.3926	0.867	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:2:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CN)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CN)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[5a]C[6]2)	107.3200	0.000	1	107.3200	0.000	1	107.3200	0.000	1	107.2112	2.477	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:2:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]OO)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OC)2	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]OO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OC)2{4|H<1>,5|C<3>}	H(C[6]C[5a]C[6]2)	107.5150	0.000	1	107.5150	0.000	1	107.5150	0.000	1	107.2112	2.477	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:2:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-2:C-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(CH3)(H)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6,6a]CH)(CN)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6,6a]CH)(CN)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	109.9183	0.814	4	109.9183	0.663	4	109.9183	0.663	4	107.2112	2.477	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:2:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CN)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]C[6]CC)(CCHH)(H){1|C<4>,1|H<1>,2|C<2>,2|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CN)2{1|O<2>,3|C<3>}	H(C[6]C[6]2C)	108.2720	0.000	1	108.2720	0.000	1	108.2720	0.000	1	107.2112	2.477	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:2:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]C[6]H)2(CN)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)2(CN)2{1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.4973	0.227	3	106.4580	0.040	4	106.5553	0.150	12	107.2112	2.477	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:2:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]C[6]H)2(CN)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)2(CN)2{1|H<1>,7|C<3>}	H(C[6]C[6a]C[6]2)	106.3400	0.000	1	106.4580	0.040	4	106.5553	0.150	12	107.2112	2.477	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:2:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CN)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CN)2{2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.2940	0.000	1	106.2940	0.000	1	106.5553	0.150	12	107.2112	2.477	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:2:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CN)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CN)2{2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.2400	0.000	1	106.2400	0.000	1	106.5553	0.150	12	107.2112	2.477	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:2:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)2(CN)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)2(CN)2{1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.0430	0.137	3	107.0048	0.018	4	106.5553	0.150	12	107.2112	2.477	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:2:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)2(CN)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)2(CN)2{2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	106.8900	0.000	1	107.0048	0.018	4	106.5553	0.150	12	107.2112	2.477	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:2:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(CN)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(CN)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	106.1395	0.330	2	106.1395	0.109	2	106.5553	0.150	12	107.2112	2.477	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:2:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]OO)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OC)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]OO)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OC)2{4|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	104.5610	0.000	1	104.5610	0.000	1	104.9960	0.378	2	107.2112	2.477	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:2:2:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]OO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(OC)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]OO)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(OC)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	105.4310	0.000	1	105.4310	0.000	1	104.9960	0.378	2	107.2112	2.477	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(CCHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)(NOO)(H)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)(NOO)(H){2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]C)	107.1810	0.000	1	107.1810	0.000	1	107.1810	0.000	1	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[5a,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(C[5]C[5]2H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]C[5]H)(C[6a]C[6a]2)(H)	H(C[6]C[5a,6]C[5]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(C[5]C[5]2H)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	H(C[6]C[5a,6]C[5]C[6])	108.0270	0.000	1	108.0270	0.000	1	108.0270	0.000	1	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[5a]C[6]H)2(CCC)(H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	C[6](C[6]C[5a]C[6]H)2(CCC)(H){2|N<3>,3|C<3>,3|H<1>}	H(C[6]C[5a]C[6]2)	107.4950	0.000	1	107.4950	0.000	1	106.8048	1.192	5	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(COW)(H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(COW)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[5a]C[6]2)	107.9040	0.000	1	107.9040	0.000	1	106.8048	1.192	5	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CO)(COO)(H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CO)(COO)(H){1|S<2>,2|C<3>,4|H<1>}	H(C[6]C[5a]C[6]2)	105.6390	0.000	1	105.6390	0.000	1	106.8048	1.192	5	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5a]N[5a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(COO)(H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]N[5a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(COO)(H){1|C<4>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[5a]C[6]2)	106.4930	1.237	2	106.4930	1.531	2	106.8048	1.192	5	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(NOO)(H){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5a]C[6]2)	108.0665	0.146	2	108.0665	0.021	2	108.0665	0.021	2	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(CCHH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]CH)(CC[6a]O)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]CH)(CC[6a]O)(H){1|O<2>,5|C<3>}	H(C[6]C[6,6a]C[6]C)	107.0200	0.000	1	107.0200	0.000	1	107.0200	0.000	1	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CH3)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CH3)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6]C)	107.3570	0.000	1	107.3570	0.000	1	107.3570	0.000	1	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[5]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[5]C[5]2H)(C[6]O[6]O)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CCHH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[5]C[5]2H)(C[6]O[6]O)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	107.7256	1.701	5	107.7256	2.895	5	107.7256	2.895	5	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(CCC)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(CCC)(H){1|S<4>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	108.0695	0.087	2	108.0695	0.008	2	108.0695	0.008	2	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]2H)(C[6]O[6]O)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(CCHH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]2H)(C[6]O[6]O)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	109.0750	0.292	3	109.0750	0.085	3	108.7347	1.345	6	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]O[6]H)(C[6]O[6]O)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]O[6]H)(C[6]O[6]O)(H){1|Br<1>,1|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	106.4250	0.000	1	108.3943	2.929	3	108.7347	1.345	6	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]O[6]H)(C[6]O[6]O)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]O[6]H)(C[6]O[6]O)(H){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	109.3790	0.202	2	108.3943	2.929	3	108.7347	1.345	6	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HN)(CCCH)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NOO)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HN)(CCCH)(H){3|C<3>,3|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NOO)(H){3|C<3>}	H(C[6]C[6,6a]C[6]C)	108.3440	0.000	1	108.3440	0.000	1	107.6731	0.815	14	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(NOO)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(NOO)(H){1|S<4>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	107.6260	0.850	3	107.6260	0.723	3	107.6731	0.815	14	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(NOO)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(NOO)(H){2|C<3>}	H(C[6]C[6,6a]C[6]C)	107.5118	0.846	4	107.5118	0.715	4	107.6731	0.815	14	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]CH)(NOO)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]CH)(NOO)(H){4|C<3>}	H(C[6]C[6,6a]C[6]C)	106.1990	0.000	1	106.1990	0.000	1	107.6731	0.815	14	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(NOO)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(NOO)(H){4|C<3>}	H(C[6]C[6,6a]C[6]C)	108.0925	0.541	2	108.0925	0.293	2	107.6731	0.815	14	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]CH)(NOO)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|S<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]CH)(NOO)(H){4|C<3>}	H(C[6]C[6,6a]C[6]C)	108.3190	0.000	1	108.3190	0.000	1	107.6731	0.815	14	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CC[6]HN)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(NOO)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CC[6]HN)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(NOO)(H){4|C<3>}	H(C[6]C[6,6a]C[6]C)	108.9920	0.000	1	108.9920	0.000	1	107.6731	0.815	14	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CC[6a]CH)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(NOO)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CC[6a]CH)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(NOO)(H){4|C<3>}	H(C[6]C[6,6a]C[6]C)	106.4590	0.000	1	106.4590	0.000	1	107.6731	0.815	14	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O[6]H)(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]2H)(C[6]O[6]O)(H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O[6]H)(C[6]C[6]2H)(H){2|C<3>,2|H<1>,2|O<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]2H)(C[6]O[6]O)(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]2)	107.9780	0.000	1	107.9780	0.000	1	107.9780	0.000	1	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[5a])(C[6]C[5,6]CH)(CH3)(H)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]CH)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C[5a])(C[6]C[5,6]CH)(CH3)(H){1|C<4>,1|S<2>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]CH)(COO)(H){1|N<3>,1|O<1>,1|O<2>,5|C<3>}	H(C[6]C[6]2C)	106.4080	0.000	1	106.4080	0.000	1	106.4080	0.000	1	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6])(C[6]C[6]CH)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.3450	0.000	1	107.3450	0.000	1	107.6678	0.841	5	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)2(CCO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]CH)2(CCO)(H){1|H<1>,3|C<3>}	H(C[6]C[6]2C)	106.5690	0.000	1	106.5690	0.000	1	107.6678	0.841	5	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)2(CC[6a]O)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]CH)2(CC[6a]O)(H){1|H<1>,3|C<3>}	H(C[6]C[6]2C)	109.1010	0.000	1	109.1010	0.000	1	107.6678	0.841	5	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(CC[5a]HH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(CCH)(H)	H(C[6]C[6]2C)	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(CC[5a]HH)(H){1|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	107.6620	0.000	2	107.6620	0.000	2	107.6678	0.841	5	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]3)	106.2320	0.000	1	106.2320	0.000	1	106.3312	0.061	4	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[6]3)	106.3643	0.292	3	106.3643	0.085	3	106.3312	0.061	4	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:F-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(F)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(F){3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.0120	0.000	1	107.0120	0.000	1	107.0120	0.000	1	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CH)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCO)(H){1|C<4>,2|C<2>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.7180	0.000	1	106.7180	0.000	1	107.2346	1.367	60	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(CC[6a]O)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(CC[6a]O)(H){1|C<4>,2|C<2>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.5130	0.230	3	106.5130	0.053	3	107.2346	1.367	60	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO)(H){3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.4370	0.786	2	107.4370	0.618	2	107.2346	1.367	60	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(CC[6a]O)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(CC[6a]O)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.9860	0.000	1	106.9860	0.000	1	107.2346	1.367	60	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[5a]O)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[5a]O)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.0980	0.007	2	107.0980	0.000	2	107.2346	1.367	60	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6]O)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6]O)(H){3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.6610	0.338	2	107.6610	0.114	2	107.2346	1.367	60	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.9910	0.000	1	107.9910	0.000	1	107.2346	1.367	60	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(COO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(COO)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]2)	103.2990	0.000	1	103.2990	0.000	1	107.2346	1.367	60	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)2(CCO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)2(CCO)(H){3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.9550	0.000	1	107.9550	0.000	1	107.2346	1.367	60	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)2(CC[6a]O)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)2(CC[6a]O)(H){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.4761	1.174	7	106.7294	1.529	9	107.2346	1.367	60	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)2(CC[6a]O)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6](C[6]C[6a]C[6]H)2(CC[6a]O)(H){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.6300	0.000	1	106.7294	1.529	9	107.2346	1.367	60	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)2(CC[6a]O)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)2(CC[6a]O)(H){3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	108.6020	0.000	1	106.7294	1.529	9	107.2346	1.367	60	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)2(CHO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)2(CHO)(H){2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	106.4490	0.000	1	107.0420	0.703	2	107.2346	1.367	60	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)2(CHO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)2(CHO)(H){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.6350	0.000	1	107.0420	0.703	2	107.2346	1.367	60	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CO)(CCO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CO)(CCO)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.9140	0.000	1	107.9140	0.000	1	107.2346	1.367	60	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<2>,2|C<3>}	H(C[6]C[6a]C[6]2)	109.1150	0.472	2	108.5633	1.025	3	107.2346	1.367	60	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.4600	0.000	1	108.5633	1.025	3	107.2346	1.367	60	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CN[6]O)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]HH)(H){1|F<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CN[6]O)(H){1|N<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	108.1940	0.000	1	108.1940	0.000	1	107.2346	1.367	60	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]S[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]S[6]CH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO)(H){1|S<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.9410	0.000	1	107.9410	0.000	1	107.2346	1.367	60	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|Cl<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.8040	0.000	1	107.8040	0.000	1	107.2346	1.367	60	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(H){3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.8403	0.274	3	107.8403	0.075	3	107.2346	1.367	60	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(COO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(COO)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	110.1890	0.000	2	110.1890	0.000	2	107.2346	1.367	60	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(CC[6a]O)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(CC[6a]O)(H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.7338	0.470	4	106.7471	0.911	8	107.2346	1.367	60	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(CC[6a]O)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(CC[6a]O)(H){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.7023	1.684	3	106.7471	0.911	8	107.2346	1.367	60	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(CC[6a]O)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(CC[6a]O)(H){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.9350	0.000	1	106.7471	0.911	8	107.2346	1.367	60	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6](C[6]C[6a]C[6]H)2(CC[6a]O)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)2(CC[6a]O)(H){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.7376	0.986	7	106.7671	0.841	8	107.2346	1.367	60	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6](C[6]C[6a]C[6]H)2(CC[6a]O)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6](C[6]C[6a]C[6]H)2(CC[6a]O)(H){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.9740	0.000	1	106.7671	0.841	8	107.2346	1.367	60	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6](C[6]C[6a]C[6]H)2(CHO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)2(CHO)(H){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.1210	0.124	2	107.3553	0.172	3	107.2346	1.367	60	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6](C[6]C[6a]C[6]H)2(CHO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|Cl<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)2(CHO)(H){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.8240	0.000	1	107.3553	0.172	3	107.2346	1.367	60	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6](C[6]C[6a]C[6]H)2(COO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)2(COO)(H){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.7315	0.011	4	107.7315	0.000	4	107.2346	1.367	60	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H){1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	105.7340	0.000	1	105.7340	0.000	1	106.8896	1.798	39	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	105.8460	0.000	1	105.8460	0.000	1	106.8896	1.798	39	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)2(NOO)(H){3|C<2>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.2460	1.106	2	106.8580	2.081	4	106.8896	1.798	39	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)2(NOO)(H){1|C<4>,1|H<1>,2|C<2>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.4700	2.102	2	106.8580	2.081	4	106.8896	1.798	39	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]HN)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(NOO)(H){1|F<1>,1|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	107.6570	0.000	1	107.6570	0.000	1	106.8896	1.798	39	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	C[6](C[6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(NOO)(H){1|Fe<10>,1|H<1>,4|C<3>,4|C<4>}	H(C[6]C[6a]C[6]2)	108.1370	0.000	1	108.1370	0.000	1	106.8896	1.798	39	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CH)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CH)(NOO)(H){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	108.0140	0.000	1	108.0140	0.000	1	106.8896	1.798	39	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(NOO)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.2055	0.276	2	108.2055	0.076	2	106.8896	1.798	39	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N[5]H)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N[5]H)(NOO)(H){1|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.0410	0.000	1	107.0410	0.000	1	106.8896	1.798	39	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|Cl<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)2(NOO)(H){1|H<1>,7|C<3>}	H(C[6]C[6a]C[6]2)	105.0700	0.000	1	105.6850	3.133	4	106.8896	1.798	39	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)2(NOO)(H){1|C<4>,1|H<1>,2|C<2>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.0525	0.887	2	105.6850	3.133	4	106.8896	1.798	39	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)2(NOO)(H){1|C<4>,2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	103.5650	0.000	1	105.6850	3.133	4	106.8896	1.798	39	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HN)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(NOO)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]2)	107.5310	0.000	1	107.5310	0.000	1	106.8896	1.798	39	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H){2|H<1>,7|C<3>}	H(C[6]C[6a]C[6]2)	105.1080	0.437	2	105.1080	0.191	2	106.8896	1.798	39	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(NOO)(H){3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.9693	0.476	4	107.9693	0.226	4	106.8896	1.798	39	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(NOO)(H){3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.7637	0.871	3	107.7637	0.759	3	106.8896	1.798	39	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(NOO)(H){3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.9420	0.000	1	107.9420	0.000	1	106.8896	1.798	39	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N[5]H)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N[5]H)(NOO)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	108.0150	0.000	1	108.0150	0.000	1	106.8896	1.798	39	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|O<2>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	105.5400	0.382	2	105.5400	0.146	2	106.8896	1.798	39	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)2(NOO)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.3670	0.000	1	106.6892	2.396	6	106.8896	1.798	39	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)2(NOO)(H){2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	106.7536	1.721	5	106.6892	2.396	6	106.8896	1.798	39	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]HP)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]HP)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(NOO)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	H(C[6]C[6a]C[6]2)	107.8560	0.000	1	107.8560	0.000	1	106.8896	1.798	39	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)2(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(NOO)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	105.8560	0.000	1	105.8560	0.000	1	106.8896	1.798	39	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)2(H)	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)2(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)2(NOO)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	105.8850	0.000	1	105.8850	0.000	1	106.8896	1.798	39	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:S[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(S[6]C[6]OO)(CC[6a]O)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]CH)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(S[6]C[6]OO)(CC[6a]O)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.8420	0.000	1	106.8420	0.000	1	106.9350	0.017	2	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:S[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(S[6]C[6]OO)(COO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]CH)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(S[6]C[6]OO)(COO)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.0280	0.000	1	107.0280	0.000	1	106.9350	0.017	2	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC[5]H)(H)	H(C[6]C[6]2N[5])	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC[5]H)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	106.1500	0.000	1	106.1500	0.000	1	106.1500	0.000	1	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]CH)(CCO)(H)	H(C[6]N[5a]C[6]2)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]CH)(CCO)(H){3|C<3>,4|H<1>}	H(C[6]N[5a]C[6]2)	107.0570	0.000	1	107.0570	0.000	1	107.0570	0.000	1	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](N[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(NCH)(H)	H(C[6]N[5a]C[6]2)	C[6](N[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]N[5a]C[6]2)	106.5575	0.012	2	106.5575	0.000	2	107.1777	1.154	3	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](N[5a]N[5a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(NCH)(H)	H(C[6]N[5a]C[6]2)	C[6](N[5a]N[5a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|N<2>,4|H<1>}	H(C[6]N[5a]C[6]2)	108.4180	0.000	1	108.4180	0.000	1	107.1777	1.154	3	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(CCHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]CH)(NOO)(H)	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(CCHH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]CH)(NOO)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[6]N[6,6]C[6]C)	106.8180	0.000	1	106.8180	0.000	1	106.8180	0.000	1	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	N[6]-3:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[5]C[5]2Fe)(C[6]C[6]CH)(H)	C[6](C[6]C[5]N[6]H)(C[6]C[6,6a]HO)(COO)(H)	H(C[6]C[5]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[5]C[5]2Fe)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5]N[6]H)(C[6]C[6,6a]HO)(COO)(H){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5]C[6]N[6])	109.3830	0.000	1	109.3830	0.000	1	109.3830	0.000	1	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](N[6]C[5,5,3x6]H)(C[6]C[6,6]CH)(CH3)(H)	C[6](C[6,6]N[5,3x6]C[6,6a]H)(C[6]N[6]CH)(COO)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[5,5,3x6]H)(C[6]C[6,6]CH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6,6]N[5,3x6]C[6,6a]H)(C[6]N[6]CH)(COO)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	106.5460	0.000	1	106.5460	0.000	1	106.5460	0.000	1	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(CCH)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(CCH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]C)	107.3020	0.000	1	107.3020	0.000	1	107.3020	0.000	1	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]HN)(CF3)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(NOO)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]S)(C[6]C[6]HN)(CF3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(NOO)(H){1|S<4>,2|C<3>}	H(C[6]C[6]N[6]C)	108.0640	0.179	3	108.0640	0.032	3	107.9880	0.045	4	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(CCHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(NOO)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(CCHH)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(NOO)(H){1|C<4>,4|C<3>}	H(C[6]C[6]N[6]C)	107.7600	0.000	1	107.7600	0.000	1	107.9880	0.045	4	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:Si-3:H-1:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]SiH)(CH3)(H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(SiCC)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]S)(C[6]C[6]SiH)(CH3)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(SiCC)(H){1|S<4>,2|C<3>}	H(C[6]C[6]N[6]C)	108.0970	0.000	1	108.0970	0.000	1	108.0970	0.000	1	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](N[6]In[6]C[6])(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H)	H(C[6]C[6]2N[6])	C[6](N[6]In[6]C[6])(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H){1|In<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2N[6])	108.4133	0.152	4	108.4133	0.023	4	108.2879	0.041	7	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:1:	4:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](N[6]In[6]C[6])(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2N[6])	C[6](N[6]In[6]C[6])(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H){1|In<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2N[6])	108.1207	0.126	3	108.1207	0.016	3	108.2879	0.041	7	107.3192	1.386	172	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:2:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]C[6]H)2(COO)(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CH)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)2(COO)(CN){1|C<2>,1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	106.6760	0.000	1	106.6760	0.000	1	105.7666	0.959	8	105.7342	0.710	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:2:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)2(COO)(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)2(COO)(CN){1|C<2>,1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.6680	0.000	1	106.6800	0.013	3	105.7666	0.959	8	105.7342	0.710	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:2:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)2(COO)(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)2(COO)(CN){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.6860	0.163	2	106.6800	0.013	3	105.7666	0.959	8	105.7342	0.710	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:2:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)(CN){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	104.7850	0.000	1	104.7850	0.000	1	105.7666	0.959	8	105.7342	0.710	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:2:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)(CN){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	104.9600	0.000	1	104.9600	0.000	1	105.7666	0.959	8	105.7342	0.710	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:2:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H)	C[6](C[6]C[6a]C[6]H)2(COO)(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)2(COO)(CN){1|C<2>,1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	104.9030	0.000	1	104.8360	0.009	2	105.7666	0.959	8	105.7342	0.710	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:2:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H)	C[6](C[6]C[6a]C[6]H)2(COO)(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)2(COO)(CN){1|C<2>,1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	104.7690	0.000	1	104.8360	0.009	2	105.7666	0.959	8	105.7342	0.710	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:2:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:N-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)2(COO)(NC)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)2(COO)(NC){4|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	105.6693	0.599	4	105.6693	0.358	4	105.6693	0.358	4	105.7342	0.710	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:3:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(CCCH)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(COO)2	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(CCCH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(COO)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]C[6]C)	108.3180	0.000	1	108.3180	0.000	1	108.4880	0.058	2	106.6715	1.460	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:3:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(CHHN)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(COO)2	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(CHHN)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(COO)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]C[6]C)	108.6580	0.000	1	108.6580	0.000	1	108.4880	0.058	2	106.6715	1.460	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)2{3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.8660	0.000	1	106.8660	0.000	1	106.1375	0.657	8	106.6715	1.460	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.8735	0.186	2	106.8735	0.035	2	106.1375	0.657	8	106.6715	1.460	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)2(CCO)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)2(CCO)(COO){2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	105.2030	0.953	2	105.2030	0.909	2	106.1375	0.657	8	106.6715	1.460	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)2(CCO)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)2(CCO)2{2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	106.4430	0.000	1	106.4430	0.000	1	106.1375	0.657	8	106.6715	1.460	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCO)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCO)(COO){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	105.8340	0.000	1	105.8340	0.000	1	106.1375	0.657	8	106.6715	1.460	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)2	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H){1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	105.8040	0.000	1	105.8040	0.000	1	106.1375	0.657	8	106.6715	1.460	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)(NCH)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H){3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)(NCH){3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.6135	0.456	2	106.6135	0.208	2	106.2518	0.275	4	106.6715	1.460	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)2(COO)(NCH)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)2(COO)(NCH){4|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	105.8900	0.305	2	105.8900	0.093	2	106.2518	0.275	4	106.6715	1.460	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:3:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(COO)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]S)(C[6]C[6]CC)(CCHH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(COO)2{1|S<4>,2|C<3>}	H(C[6]C[6]N[6]C)	108.9900	0.000	1	108.9900	0.000	1	108.9900	0.000	1	106.6715	1.460	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:4:	4:	C[5,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]2)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(CH3){2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]2)	105.5340	0.000	1	105.5340	0.000	1	105.5340	0.000	1	105.4135	0.156	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:4:	4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[3,6,6]C)(C[6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	H(C[6]C[6]3)	C[6](C[6]C[3,6,6]C)(C[6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CH3){2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]3)	105.1860	0.000	1	105.1860	0.000	1	105.3733	0.224	3	105.4135	0.156	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:4:	4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]2C)(C[6]C[6]HO)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	H(C[6]C[6]3)	C[6](C[6]C[5,6]C)(C[6]C[6]2C)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]3)	105.9120	0.000	1	105.9120	0.000	1	105.3733	0.224	3	105.4135	0.156	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:3:4:	4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CH3)	H(C[6]C[6]3)	C[6](C[6]C[6,6]C)(C[6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CH3){3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]3)	105.0220	0.000	1	105.0220	0.000	1	105.3733	0.224	3	105.4135	0.156	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[3,6]-3:C[6]-4:C-4:H-1:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3])(C[6]C[3]C[6]H)(CC3)(H)	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3,6]O[3])(C[6]C[3]C[6]H)(CC3)(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[3,6]C[6]C)	109.9460	0.000	1	109.9460	0.000	1	109.9460	0.000	1	107.1882	1.332	82	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(CCCO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]CH)(CHHO)(H)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(CCCO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]CH)(CHHO)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[5a,6]C[6]C)	108.4550	0.000	1	108.4550	0.000	1	107.6995	1.142	2	107.1882	1.332	82	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(CCHH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5a,6]CH)(CCHH)(H)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5a,6]CH)(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]C[6]C)	106.9440	0.000	1	106.9440	0.000	1	107.6995	1.142	2	107.1882	1.332	82	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[5,6]CH)(CCHH)(H)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]CH)(C[6]C[5,6]CH)(CCHH)(H){4|C<3>}	H(C[6]C[5a,6]C[6]C)	105.5300	0.000	1	105.5300	0.000	1	105.5300	0.000	1	107.1882	1.332	82	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CCCO)(H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CCCO)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[5a]C[6]2)	106.9330	0.000	1	106.9330	0.000	1	106.9330	0.000	1	107.1882	1.332	82	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]2)(C[6]C[6]CH)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6,6]C[6]C)	105.9940	0.000	1	105.9940	0.000	1	106.7432	0.300	9	107.1882	1.332	82	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(CCHH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	H(C[6]C[6,6]C[6]C)	107.2353	0.497	3	107.2353	0.247	3	106.7432	0.300	9	107.1882	1.332	82	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(CCHH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(H){1|O<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	H(C[6]C[6,6]C[6]C)	106.5978	0.359	5	106.5978	0.129	5	106.7432	0.300	9	107.1882	1.332	82	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CCHH)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CCHH)(H){2|C<3>}	H(C[6]C[6,6a]C[6]C)	108.0080	0.000	1	108.0080	0.000	1	108.4340	1.248	5	107.1882	1.332	82	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHO)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC3)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC3)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	107.9203	0.273	3	107.9203	0.075	3	108.4340	1.248	5	107.1882	1.332	82	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CNiHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]NiH)(CH3)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CNiHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]NiH)(CH3)(H){1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	110.4010	0.000	1	110.4010	0.000	1	108.4340	1.248	5	107.1882	1.332	82	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SiH)(CH3)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(SiCCH)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SiH)(CH3)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(SiCCH)(H){1|S<4>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	106.8220	0.000	1	106.8220	0.000	1	106.8220	0.000	1	107.1882	1.332	82	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	Si[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]Si[6]CH)(CCHH)(H)	C[6](Si[6]C[6,6a]CC)(C[6]C[6,6a]CH)(CCHH)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]Si[6]CH)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](Si[6]C[6,6a]CC)(C[6]C[6,6a]CH)(CCHH)(H){3|C<3>}	H(C[6]C[6,6a]C[6]C)	106.4015	0.558	2	106.4015	0.311	2	106.4015	0.311	2	107.1882	1.332	82	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]CO)(H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]CO)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)2(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]2)	106.8050	0.000	1	106.8050	0.000	1	106.8050	0.000	1	107.1882	1.332	82	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CHHO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CHHO)(H){1|N<2>,1|O<1>,3|C<3>}	H(C[6]C[6]2C)	106.7740	0.000	1	106.7740	0.000	1	106.6910	0.014	2	107.1882	1.332	82	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6]CH)2(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	106.6080	0.000	1	106.6080	0.000	1	106.6910	0.014	2	107.1882	1.332	82	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.0250	0.000	1	107.0250	0.000	1	107.2581	1.204	25	107.1882	1.332	82	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CH3)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CH3)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	107.7790	0.000	1	107.7790	0.000	1	107.2581	1.204	25	107.1882	1.332	82	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	107.9780	0.000	1	107.6527	0.803	13	107.2581	1.204	25	107.1882	1.332	82	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]2)	107.5710	0.000	1	107.6527	0.803	13	107.2581	1.204	25	107.1882	1.332	82	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.8730	0.538	9	107.6527	0.803	13	107.2581	1.204	25	107.1882	1.332	82	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.5395	2.073	2	107.6527	0.803	13	107.2581	1.204	25	107.1882	1.332	82	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(CH3)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(CH3)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	106.1800	0.000	1	106.1800	0.000	1	107.2581	1.204	25	107.1882	1.332	82	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(CHHO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(CHHO)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	107.4060	0.000	1	107.4060	0.000	1	107.2581	1.204	25	107.1882	1.332	82	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HO)(CH3)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HO)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.2040	0.000	1	108.2040	0.000	1	107.2581	1.204	25	107.1882	1.332	82	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH)(H){1|N<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	105.7810	0.000	1	105.7810	0.000	1	107.2581	1.204	25	107.1882	1.332	82	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(CH3)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(CH3)(H){1|H<1>,2|C<4>,6|C<3>}	H(C[6]C[6a]C[6]2)	105.3350	0.000	1	105.3350	0.000	1	107.2581	1.204	25	107.1882	1.332	82	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(CH3)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(CH3)(H){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6a]C[6]2)	105.3430	0.000	1	105.3430	0.000	1	107.2581	1.204	25	107.1882	1.332	82	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(H){2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	105.2490	0.000	1	105.2490	0.000	1	107.2581	1.204	25	107.1882	1.332	82	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(CH3)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(CH3)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.7970	0.000	2	107.7970	0.000	2	107.2581	1.204	25	107.1882	1.332	82	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CH3)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CH3)(H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.0720	0.000	1	108.0720	0.000	1	107.2581	1.204	25	107.1882	1.332	82	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]HP)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(PO3)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]HP)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(PO3)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6a]C[6]2)	107.8580	0.000	1	107.8580	0.000	1	107.8580	0.000	1	107.1882	1.332	82	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.0370	0.000	1	108.0370	0.000	1	108.0370	0.000	1	107.1882	1.332	82	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	N[5,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6]N[5,6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6]N[5,6]C[6]2)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[6]N[5,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6]N[5,6]C[6]2)	107.4400	0.000	2	107.4400	0.000	2	107.4400	0.000	2	107.1882	1.332	82	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[5]C[5]N[5])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2N[5])	C[6](N[5]C[5]N[5])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|Pd<4>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6]2N[5])	106.6768	0.503	23	106.6768	0.253	23	106.6768	0.253	23	107.1882	1.332	82	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]N[6]HH)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]N[5a]C[6]2)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]N[6]HH)(H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(CH3)(H){1|N<3>,2|C<3>,4|H<1>}	H(C[6]N[5a]C[6]2)	106.9310	0.000	1	106.9310	0.000	1	106.9310	0.000	1	107.1882	1.332	82	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)(H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(CCHH)(H){2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]C)	107.2290	0.000	1	107.2290	0.000	1	107.2290	0.000	1	107.1882	1.332	82	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]S[6])(C[6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6]N[6,6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6]N[6,6]C[6]2)	C[6](N[6,6]C[6,6]S[6])(C[6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|O<1>,5|H<1>}	C[6](C[6]N[6,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|S<4>,2|C<4>,6|H<1>}	H(C[6]N[6,6]C[6]2)	107.3620	0.000	1	107.3620	0.000	1	107.3620	0.000	1	107.1882	1.332	82	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	N[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6,6a]HH)(C[6]N[6,6a]CH)(CCHH)(H)	H(C[6]N[6,6a]C[6]C)	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CH)(CH3)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6,6a]CH)(CCHH)(H){3|C<3>}	H(C[6]N[6,6a]C[6]C)	112.8370	0.000	1	112.8370	0.000	1	112.8370	0.000	1	107.1882	1.332	82	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:1:	4:	P[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](P[6]C[6,6a]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2P[6])	C[6](P[6]C[6,6a]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]2P[6])	108.8010	0.000	1	108.8010	0.000	1	108.8010	0.000	1	107.1882	1.332	82	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:2:	4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[5,5]HH)(OH)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[5,5]HH)(OH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	106.7170	0.000	1	106.7170	0.000	1	106.7170	0.000	1	106.0689	3.371	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:2:	4:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[5]C[5,6a]N[5])(C[6]C[6a]C[6]H)(C[6]C[6]CO)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]N[5])(C[6]C[6a]C[6]H)(C[6]C[6]CO)(H){1|C<4>,1|N<3>,1|S<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[6]C[5]C[6]2)	109.4530	0.000	1	109.4530	0.000	1	109.4530	0.000	1	106.0689	3.371	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:2:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6a]C[6]H)(C[6]C[6]CO)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(CH3)(OH)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]O[5a])(C[6]C[6a]C[6]H)(C[6]C[6]CO)(H){1|C<4>,1|N<2>,2|H<1>,2|N<3>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(CH3)(OH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5a]C[6]2)	109.1150	0.000	1	109.1150	0.000	1	109.1150	0.000	1	106.0689	3.371	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:2:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(CCCH)(H){3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	105.7110	0.000	1	105.7110	0.000	1	105.7110	0.000	1	106.0689	3.371	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:2:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(CCCH)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CCHH)(OH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(CCCH)(H){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CCHH)(OH){2|C<3>}	H(C[6]C[6,6a]C[6]C)	106.4190	0.000	1	106.4190	0.000	1	106.4190	0.000	1	106.0689	3.371	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:2:	4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]C[6])(C[6]C[5,6]CO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(CCHH)(OH)	H(C[6]C[6]3)	C[6](C[6]C[5,6]C[6])(C[6]C[5,6]CO)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(CCHH)(OH){1|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6]3)	106.2860	0.000	1	105.8190	0.436	2	105.8190	0.436	2	106.0689	3.371	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:2:	4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]C[6])(C[6]C[5,6]CO)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(CCHH)(OH)	H(C[6]C[6]3)	C[6](C[6]C[5,6]C[6])(C[6]C[5,6]CO)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(CCHH)(OH){1|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6]3)	105.3520	0.000	1	105.8190	0.436	2	105.8190	0.436	2	106.0689	3.371	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:2:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CO)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(CN){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]2)	102.9270	0.000	1	102.9270	0.000	1	103.5400	0.752	2	106.0689	3.371	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:2:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CO)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(CN){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]2)	104.1530	0.000	1	104.1530	0.000	1	103.5400	0.752	2	106.0689	3.371	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:2:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CO)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]2)	104.4415	0.818	2	104.4415	0.669	2	104.4415	0.669	2	106.0689	3.371	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:2:	4:	N[5,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]2O)(C[6]C[6]HH)(H)	C[6](C[6]N[5,6]C[6]H)(C[6]C[6]HH)2(OH)	H(C[6]N[5,6]C[6]2)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]2O)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]N[5,6]C[6]H)(C[6]C[6]HH)2(OH){2|C<3>,2|C<4>,6|H<1>}	H(C[6]N[5,6]C[6]2)	106.3935	0.971	2	106.3935	0.943	2	106.3935	0.943	2	106.0689	3.371	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:2:	4:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]CO)(CH3)(H)	C[6](C[6]N[5a,6]CH)(C[6]C[6]HO)(CHHO)(OH)	H(C[6]N[5a,6]C[6]C)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]CO)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]N[5a,6]CH)(C[6]C[6]HO)(CHHO)(OH){1|C<3>,1|N<3>,2|H<1>}	H(C[6]N[5a,6]C[6]C)	107.1620	0.000	1	107.1620	0.000	1	107.1620	0.000	1	106.0689	3.371	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:3:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-4:C-3:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(NH3)(COO)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(NH3)(COO){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5a]C[6]2)	104.7630	0.000	1	104.7630	0.000	1	104.7630	0.000	1	105.5464	1.949	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:3:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(CH3)(NOO)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(CH3)(NOO){2|C<3>}	H(C[6]C[6,6a]C[6]C)	107.1150	0.000	1	107.1150	0.000	1	107.1150	0.000	1	105.5464	1.949	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:3:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3)(CCH)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CCHH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3)(CCH){1|O<1>,2|C<3>}	H(C[6]C[6]2C)	107.0870	0.000	1	107.0870	0.000	1	107.0870	0.000	1	105.5464	1.949	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:3:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CF3)(NOO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CF3)(NOO){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	104.4857	0.089	4	104.4857	0.008	4	105.0812	1.779	5	105.5464	1.949	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:3:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(NOO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HN)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(NOO){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.4630	0.000	1	107.4630	0.000	1	105.0812	1.779	5	105.5464	1.949	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:4:	4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[5]C[6]C)(CCHH)(H)	C[6](C[5]C[5,6]O[5]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5]C[6]C)(CCHH)(H){1|O<2>,3|H<1>,6|C<4>}	C[6](C[5]C[5,6]O[5]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]C)	104.8900	0.000	1	104.8900	0.000	1	104.8900	0.000	1	106.6929	2.380	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:4:	4:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5]C[5,6a]C[5])(C[6]C[5,6]CC)(C[6]C[6]CC)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[5,6]HH)(CH3)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]C[5])(C[6]C[5,6]CC)(C[6]C[6]CC)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[5,6]HH)(CH3)2{2|C<4>,4|C<3>}	H(C[6]C[5]C[6]2)	103.8750	0.000	1	103.8750	0.000	1	103.8750	0.000	1	106.6929	2.380	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:4:	4:	C[5a,6]-3:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(NH3)(H)	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CH3)2	H(C[6]C[5a,6]C[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(NH3)(H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[5a,6]C[6]N)	108.2010	0.467	2	108.2010	0.218	2	108.2010	0.218	2	106.6929	2.380	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:4:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(CCHH)(H){1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	107.2830	0.000	1	107.2830	0.000	1	107.2830	0.000	1	106.6929	2.380	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:4:	4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]CC)(C[6]C[6]HW)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]N[5a]C[6]2)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]CC)(C[6]C[6]HW)(H){3|C<3>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|W<7>}	H(C[6]N[5a]C[6]2)	107.0440	0.000	1	107.0440	0.000	1	107.0440	0.000	1	106.6929	2.380	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	4:4:4:4:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](N[6]C[6a]B[6])(C[6]C[6]CC)(CH3)(H)	C[6](C[6]N[6]CH)2(CH3)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]B[6])(C[6]C[6]CC)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6]CH)2(CH3)2{1|B<3>,2|C<3>}	H(C[6]C[6]N[6]C)	107.0245	0.093	2	107.0245	0.009	2	107.0245	0.009	2	106.6929	2.380	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	3:4:4:1:	5:4:1:1:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	Nb[6,6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]Nb[6,6]HH)(CH3)(H)	C[6](Nb[6,6]N[6,6]N[6]NO)(C[6]C[6,6a]CH)(H)2	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]Nb[6,6]HH)(CH3)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|N<3>}	C[6](Nb[6,6]N[6,6]N[6]NO)(C[6]C[6,6a]CH)(H)2{5|C<3>}	H(C[6]C[6,6a]C[6]C)	106.7705	0.605	2	106.7705	0.366	2	106.7705	0.366	2	106.7705	0.366	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	2:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2	C[6](O[6]C[5,6,6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2{1|H<1>,2|C<4>}	C[6](O[6]C[5,6,6])(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>}	H(C[6]C[6]O[6]H)	110.8785	0.325	2	110.8785	0.105	2	110.8785	0.105	2	110.8785	0.105	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	2:4:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	O[6]-2:C[6]-4:C[5]-3:H-1:	C[6]-4:	C[6](C[6]C[5]O[6]H)(O[6]C[6,6a])(H)2	C[6](O[6]C[6,6a])(C[6]O[6]HH)(C[5]N[5]2)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5]O[6]H)(O[6]C[6,6a])(H)2{2|C<3>,2|N<3>}	C[6](O[6]C[6,6a])(C[6]O[6]HH)(C[5]N[5]2)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3710	0.027	2	109.3710	0.001	2	109.3710	0.001	2	109.3710	0.001	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	2:4:3:2:	4:	C[6]-4:O[6]-2:H-1:H-1:	O[6]-2:C[6]-4:C[5]-3:O-2:	C[6]-4:	C[6](C[6]C[5]O[6]O)(O[6]C[6,6a])(H)2	C[6](O[6]C[6,6a])(C[6]O[6]HH)(C[5]N[5]2)(OC)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5]O[6]O)(O[6]C[6,6a])(H)2{1|N<2>,1|N<3>,2|C<3>}	C[6](O[6]C[6,6a])(C[6]O[6]HH)(C[5]N[5]2)(OC){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	109.2910	0.028	2	109.2910	0.001	2	109.2910	0.001	2	109.2910	0.001	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:2:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(O[6]C[6,6a])(H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]O[6]HH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]O[6]H)(O[6]C[6,6a])(H)2{4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]O[6]HH)(H){2|H<1>,4|C<3>}	H(C[6]C[6]O[6]H)	109.3050	0.023	2	109.3050	0.001	2	109.3050	0.001	2	109.3050	0.001	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:3:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(O[6]C[6])(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]O[6]HH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5a,6]C[6a]H)(O[6]C[6])(H)2{1|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6]O[6]H)	109.0250	0.024	2	109.0250	0.001	2	109.0250	0.001	2	109.0254	0.199	30	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:3:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(H)2	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(H)2{1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HH)(H){2|H<1>,4|C<3>}	H(C[6]C[6]O[6]H)	108.6742	0.128	6	108.8119	0.077	8	108.8119	0.077	8	109.0254	0.199	30	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:3:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(H)2	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(H)2{1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HH)(H){2|O<2>,4|C<3>}	H(C[6]C[6]O[6]H)	109.2250	0.008	2	108.8119	0.077	8	108.8119	0.077	8	109.0254	0.199	30	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:3:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[4,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[4,6]C[6a]H)(O[6]C[6])(H)2	C[6](N[4,6]C[4,6]C[4])(C[6a]C[6a]2)(C[6]O[6]HH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[4,6]C[6a]H)(O[6]C[6])(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6](N[4,6]C[4,6]C[4])(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	108.8528	0.692	8	108.8528	0.478	8	108.8528	0.478	8	109.0254	0.199	30	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:3:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(O[6]C[6])(H)2	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5,6]C[6a]H)(O[6]C[6])(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H){3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.4120	0.100	2	109.4490	0.023	5	109.3477	0.045	7	109.0254	0.199	30	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:3:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(O[6]C[6])(H)2	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5,6]C[6a]H)(O[6]C[6])(H)2{2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.4737	0.197	3	109.4490	0.023	5	109.3477	0.045	7	109.0254	0.199	30	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:3:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(O[6]C[6])(H)2	C[6](N[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5,6]C[6a]H)(O[6]C[6])(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](N[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.0945	0.026	2	109.0945	0.001	2	109.3477	0.045	7	109.0254	0.199	30	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:3:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a,6]C[6a]H)(O[6]C[6])(H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]O[6]HH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5a,6]C[6a]H)(O[6]C[6])(H)2{1|N<2>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.3990	0.018	2	109.3990	0.000	2	109.3990	0.000	2	109.0254	0.199	30	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:3:4:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(S[6]C[6,6a])(H)2	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]S[6]HH)(H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6a]N[6]H)(S[6]C[6,6a])(H)2{5|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]S[6]HH)(H){2|H<1>,4|C<3>}	H(C[6]C[6]S[6]H)	109.0543	0.070	3	109.0543	0.005	3	109.0543	0.005	3	109.0254	0.199	30	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:3:4:2:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(O[6]C[6,6a])(H)2	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HH)(OC)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]O)(O[6]C[6,6a])(H)2{1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HH)(OC){2|H<1>,4|C<3>}	H(C[6]C[6]O[6]H)	109.2780	0.018	2	109.2780	0.000	2	109.5293	0.085	4	109.5293	0.085	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:3:4:2:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(O[6]C[6])(H)2	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]HH)(OH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]O)(O[6]C[6])(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]HH)(OH){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6]O[6]H)	109.7805	0.026	2	109.7805	0.001	2	109.5293	0.085	4	109.5293	0.085	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:3:4:3:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]C)(N[6]C[6])(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]C[6a]C)(N[6]C[6])(H)2{1|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(COO){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	108.6680	0.004	2	108.6680	0.000	2	108.6680	0.000	2	109.1799	0.204	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:3:4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6]C[6a]2N[6])(O[6]C[6])(H)2	C[6](C[6a]C[6a]2)2(C[6]O[6]HH)(N[6]C[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]2N[6])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6a]C[6a]2)2(C[6]O[6]HH)(N[6]C[6]H){1|C<4>,5|C<3>,5|H<1>}	H(C[6]C[6]O[6]H)	109.2380	0.025	2	109.1145	0.021	4	109.1145	0.021	4	109.1799	0.204	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:3:4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6]C[6a]2N[6])(O[6]C[6])(H)2	C[6](C[6a]C[6a]2)2(C[6]O[6]HH)(N[6]C[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]2N[6])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6a]C[6a]2)2(C[6]O[6]HH)(N[6]C[6]H){5|H<1>,6|C<3>}	H(C[6]C[6]O[6]H)	108.9910	0.007	2	109.1145	0.021	4	109.1145	0.021	4	109.1799	0.204	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:3:4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[3,6]-3:C[6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[3,6]C[6a]C)(O[6]C[6])(H)2	C[6](N[3,6]C[3,6]C[3])(C[6a]C[6a]2)(C[6]O[6]HH)(COO)	H(C[6]C[6]O[6]H)	C[6](C[6]N[3,6]C[6a]C)(O[6]C[6])(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](N[3,6]C[3,6]C[3])(C[6a]C[6a]2)(C[6]O[6]HH)(COO){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]O[6]H)	109.8225	0.009	2	109.8225	0.000	2	109.8225	0.000	2	109.1799	0.204	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:3:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(O[6]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HH)(CH3)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6a]C[6a]C)(O[6]C[6])(H)2{1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HH)(CH3){3|H<1>,5|C<3>}	H(C[6]C[6]O[6]H)	108.9620	0.089	3	108.9620	0.008	3	108.9620	0.008	3	108.9620	0.008	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6])(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6])(H)2{1|C<4>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|N<3>,3|C<3>}	H(C[6]C[6]N[6]H)	108.4645	0.032	2	107.8257	0.662	8	107.8257	0.662	8	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6])(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6])(H)2{3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|N<3>,3|C<3>}	H(C[6]C[6]N[6]H)	107.6128	0.842	6	107.8257	0.662	8	107.8257	0.662	8	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6])(H)2{1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.5045	0.013	2	109.1740	1.816	8	109.2232	1.423	10	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6])(H)2{1|S<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.0845	0.013	2	109.1740	1.816	8	109.2232	1.423	10	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6])(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.0535	2.034	4	109.1740	1.816	8	109.2232	1.423	10	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6])(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6])(H)2{3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(H)2{4|C<3>}	H(C[6]C[6]N[6]H)	109.4200	0.024	2	109.4200	0.001	2	109.2232	1.423	10	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(N[6]C[6,6])(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[5,6]HH)(N[6]C[6,6])(H)2{1|C<3>,2|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.0035	0.006	2	109.0035	0.000	2	109.5485	0.629	4	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(N[6]C[6])(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[5,6]HH)(N[6]C[6])(H)2{1|C<3>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	110.0935	0.837	2	110.0935	0.700	2	109.5485	0.629	4	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(N[6]C[6])(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[5a,6]HH)(N[6]C[6])(H)2{3|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2{4|C<3>}	H(C[6]C[6]N[6]H)	108.9410	0.028	2	108.9410	0.001	2	108.9410	0.001	2	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(N[6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6,6]HH)(N[6]C[6])(H)2{1|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	110.9725	2.324	2	110.9725	5.402	2	110.9725	5.402	2	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[3x6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(O[6]C[6])(H)2	C[6](C[3x6]C[3x6]C[4x6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[3x6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[3x6]C[3x6]C[4x6])(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	109.0595	0.040	2	109.0890	0.002	4	109.0890	0.002	4	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[3x6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(O[6]C[6])(H)2	C[6](C[3x6]C[3x6]C[4x6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[3x6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[3x6]C[3x6]C[4x6])(C[6]O[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]O[6]H)	109.1185	0.008	2	109.0890	0.002	4	109.0890	0.002	4	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	108.4720	0.000	1	108.4720	0.000	1	108.4720	0.000	1	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2{1|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>}	H(C[6]C[6]O[6]H)	109.3330	0.041	2	109.3330	0.002	2	109.3691	0.026	12	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2{1|C<3>,1|N<2>,1|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(H)2{1|S<2>,2|C<3>}	H(C[6]C[6]O[6]H)	109.2520	0.027	2	109.2520	0.001	2	109.3691	0.026	12	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2{1|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>}	H(C[6]C[6]O[6]H)	109.3785	0.015	2	109.2703	0.016	4	109.3691	0.026	12	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(H)2{1|N<3>,3|C<3>}	H(C[6]C[6]O[6]H)	109.1620	0.037	2	109.2703	0.016	4	109.3691	0.026	12	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2{1|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]O[6]H)	109.5445	0.124	4	109.5445	0.015	4	109.3691	0.026	12	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]B[6])(H)2	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]B[6])(H)2{1|N<3>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]HH)(H)2{1|B<4>,1|H<1>,2|C<3>}	H(C[6]C[6]O[6]H)	109.7185	0.067	4	109.7185	0.005	4	109.3344	0.263	15	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(H)2	C[6](C[6,6]C[3x6]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[3x6]C[6])(C[6]O[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]O[6]H)	108.8755	0.732	4	108.8755	0.535	4	109.3344	0.263	15	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	C[6](C[6,6]C[3x6]C[6,6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6,6]C[3x6]C[6,6])(C[6]O[6]HH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[6]O[6]H)	108.9320	0.024	2	108.9320	0.001	2	109.3344	0.263	15	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.6630	0.045	2	109.6630	0.002	2	109.3344	0.263	15	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]O[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>}	H(C[6]C[6]O[6]H)	109.4265	0.013	2	109.4265	0.000	2	109.3344	0.263	15	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]O[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	109.5970	0.000	1	109.5970	0.000	1	109.3344	0.263	15	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6,6])(H)2	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6a]HH)(O[6]C[6,6])(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]O[6]H)	109.3176	0.203	7	109.3176	0.041	7	109.8560	1.158	42	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6,6a])(H)2	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6a]HH)(O[6]C[6,6a])(H)2{1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]O[6]HH)(H)2{3|C<3>}	H(C[6]C[6]O[6]H)	107.7780	0.004	2	107.7780	0.000	2	109.8560	1.158	42	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]O[6]H)	109.6405	0.019	2	110.0962	1.083	33	109.8560	1.158	42	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]O[6]H)	109.7905	0.033	2	110.0962	1.083	33	109.8560	1.158	42	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]O[6]H)	109.5110	0.000	1	110.0962	1.083	33	109.8560	1.158	42	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]O[6]H)	110.7111	1.038	7	110.0962	1.083	33	109.8560	1.158	42	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2{1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]O[6]H)	109.6214	0.055	14	110.0962	1.083	33	109.8560	1.158	42	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	111.8487	1.521	4	110.0962	1.083	33	109.8560	1.158	42	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{4|C<3>}	H(C[6]C[6]O[6]H)	109.2210	0.017	2	110.0962	1.083	33	109.8560	1.158	42	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.2870	0.000	1	110.0962	1.083	33	109.8560	1.158	42	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(O[6]C[6,6a])(H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(Br)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]BrH)(O[6]C[6,6a])(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(Br)(H){2|C<3>}	H(C[6]C[6]O[6]H)	108.9905	0.022	2	108.9905	0.000	2	108.9905	0.000	2	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[4,6])(H)2	C[6](C[6]C[4,6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[4,6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[4,6]H)(C[6]O[6]HH)(H)2{2|C<4>}	H(C[6]C[6]O[6]H)	111.6098	1.959	6	111.6098	3.838	6	110.5229	3.042	12	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	C[6](C[6]C[6,6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]O[6]HH)(H)2{2|C<4>}	H(C[6]C[6]O[6]H)	109.5375	0.066	2	109.5375	0.004	2	110.5229	3.042	12	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]O[6]H)	109.4960	0.113	2	109.3852	0.021	4	110.5229	3.042	12	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]O[6]H)	109.2745	0.006	2	109.3852	0.021	4	110.5229	3.042	12	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[3,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[3,6]HH)(O[6]C[6])(H)2	C[6](N[3,6]C[3,6]C[3])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[3,6]HH)(O[6]C[6])(H)2{1|O<2>,3|C<4>}	C[6](N[3,6]C[3,6]C[3])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.6460	0.034	4	109.6460	0.001	4	109.6460	0.001	4	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(O[6]C[6])(H)2	C[6](N[5,6]C[5,6]N[5])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[5,6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](N[5,6]C[5,6]N[5])(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	109.1680	0.054	2	109.1680	0.003	2	109.0820	0.011	4	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(O[6]Ga[6])(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[5,6]HH)(O[6]Ga[6])(H)2{1|C<3>,3|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(H)2{1|Ga<4>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]O[6]H)	108.9960	0.013	2	108.9960	0.000	2	109.0820	0.011	4	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(O[6]C[6,6a])(H)2	C[6](N[5a,6]C[5a,6,6a]N[5a])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[5a,6]HH)(O[6]C[6,6a])(H)2{1|N<2>,2|C<3>}	C[6](N[5a,6]C[5a,6,6a]N[5a])(C[6]O[6]HH)(H)2{3|C<3>}	H(C[6]C[6]O[6]H)	108.6950	0.008	2	108.6950	0.000	2	109.3193	0.312	10	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(O[6]C[6])(H)2	C[6](N[5a,6]C[5a,6]2)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[5a,6]HH)(O[6]C[6])(H)2{2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6]2)(C[6]O[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]O[6]H)	110.1035	0.797	2	110.1035	0.635	2	109.3193	0.312	10	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(O[6]C[6])(H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[5a,6]HH)(O[6]C[6])(H)2{1|C<3>,1|N<2>,1|O<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(H)2{1|N<2>,2|C<3>}	H(C[6]C[6]O[6]H)	109.4585	0.029	2	109.4585	0.001	2	109.3193	0.312	10	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(O[6]C[6])(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[5a,6]HH)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(H)2{4|C<3>}	H(C[6]C[6]O[6]H)	109.2625	0.028	2	109.1697	0.012	4	109.3193	0.312	10	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(O[6]C[6])(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[5a,6]HH)(O[6]C[6])(H)2{2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>}	H(C[6]C[6]O[6]H)	109.0770	0.044	2	109.1697	0.012	4	109.3193	0.312	10	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(O[6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6,6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.2590	0.020	2	109.2590	0.000	2	109.3327	0.206	21	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(O[6]C[6])(H)2	C[6](N[6,6]C[6,6]N[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6,6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](N[6,6]C[6,6]N[6])(C[6]O[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4150	0.028	8	109.4150	0.001	8	109.3327	0.206	21	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(O[6]C[6])(H)2	C[6](N[6,6]C[6,6]S[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6,6]HH)(O[6]C[6])(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](N[6,6]C[6,6]S[6])(C[6]O[6]HH)(H)2{1|H<1>,1|N<2>,2|C<4>,2|O<1>}	H(C[6]C[6]O[6]H)	109.4275	0.058	4	109.4275	0.003	4	109.3327	0.206	21	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(O[6]C[6])(H)2	C[6](N[6,6]C[6,6a]C[6,6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]O[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	109.2054	0.805	7	109.2054	0.648	7	109.3327	0.206	21	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6,6])(H)2	C[6](N[6]C[6,6]C)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6,6]C)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	109.2945	0.085	4	109.4013	0.023	7	109.3110	0.363	844	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6,6])(H)2	C[6](N[6]C[6,6]C)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6,6])(H)2{1|N<3>,3|C<4>}	C[6](N[6]C[6,6]C)(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>}	H(C[6]C[6]O[6]H)	109.5437	0.075	3	109.4013	0.023	7	109.3110	0.363	844	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[3,6]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[3,6]C[6])(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	110.4546	1.194	7	110.1667	0.945	15	109.3110	0.363	844	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[3,6]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[3,6]C[6])(C[6]O[6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[6]O[6]H)	109.9149	0.715	8	110.1667	0.945	15	109.3110	0.363	844	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[3]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[3]C[6])(C[6]O[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.3212	0.097	6	109.3212	0.009	6	109.3110	0.363	844	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[4]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[4]C[6])(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	109.0587	0.231	15	109.2468	0.214	19	109.3110	0.363	844	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[4]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[4]C[6])(C[6]O[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.9522	0.442	4	109.2468	0.214	19	109.3110	0.363	844	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[4a]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[4a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3025	0.032	4	109.3025	0.001	4	109.3110	0.363	844	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[5,5,6]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[5,5,6]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3290	0.131	4	109.3290	0.017	4	109.3110	0.363	844	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]O[6]H)	109.0957	0.126	4	109.3458	0.210	74	109.3110	0.363	844	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3727	0.125	4	109.3458	0.210	74	109.3110	0.363	844	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.1699	0.118	8	109.3458	0.210	74	109.3110	0.363	844	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	110.3765	1.765	4	109.3458	0.210	74	109.3110	0.363	844	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3065	0.100	14	109.3458	0.210	74	109.3110	0.363	844	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|Se<2>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4150	0.063	4	109.3458	0.210	74	109.3110	0.363	844	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]H)	109.2547	0.085	6	109.3458	0.210	74	109.3110	0.363	844	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.3495	0.179	4	109.3458	0.210	74	109.3110	0.363	844	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.2447	0.104	8	109.3458	0.210	74	109.3110	0.363	844	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.2979	0.219	10	109.3458	0.210	74	109.3110	0.363	844	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.3985	0.058	4	109.3458	0.210	74	109.3110	0.363	844	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.3607	0.057	4	109.3458	0.210	74	109.3110	0.363	844	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3845	0.012	2	109.2622	1.346	97	109.3110	0.363	844	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]O[6]H)	108.8981	2.018	29	109.2622	1.346	97	109.3110	0.363	844	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.5330	0.559	28	109.2622	1.346	97	109.3110	0.363	844	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3504	0.123	11	109.2622	1.346	97	109.3110	0.363	844	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3239	0.163	15	109.2622	1.346	97	109.3110	0.363	844	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3319	0.112	12	109.2622	1.346	97	109.3110	0.363	844	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6,6]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]O[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	109.2005	0.137	13	109.2005	0.019	13	109.3110	0.363	844	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6]N[4])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]C[6]N[4])(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3905	0.092	4	109.3905	0.008	4	109.3110	0.363	844	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6]P[4])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,1|P<4>,2|H<1>}	C[6](N[6]C[6]P[4])(C[6]O[6]HH)(H)2{1|Cu<3>,1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]O[6]H)	109.4007	0.061	3	109.3456	0.023	10	109.3110	0.363	844	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6]P[4])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,1|P<4>,2|H<1>}	C[6](N[6]C[6]P[4])(C[6]O[6]HH)(H)2{1|Cu<4>,1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]O[6]H)	109.3220	0.174	7	109.3456	0.023	10	109.3110	0.363	844	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6]P[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,1|P<4>,2|H<1>}	C[6](N[6]C[6]P[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	108.7175	1.572	8	108.7175	2.470	8	109.3110	0.363	844	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.5050	0.031	2	109.3038	0.193	572	109.3110	0.363	844	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]O[6]H)	109.2945	0.357	131	109.3038	0.193	572	109.3110	0.363	844	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3053	0.166	36	109.3038	0.193	572	109.3110	0.363	844	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3049	0.519	334	109.3038	0.193	572	109.3110	0.363	844	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>,2|N<2>}	H(C[6]C[6]O[6]H)	109.2590	0.139	60	109.3038	0.193	572	109.3110	0.363	844	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.3460	0.009	4	109.3038	0.193	572	109.3110	0.363	844	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[6]C[6]O[6]H)	109.8824	0.189	5	109.3038	0.193	572	109.3110	0.363	844	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]N[5a]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]N[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3731	0.047	7	109.3731	0.002	7	109.3110	0.363	844	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]N[6a]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]N[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.0637	0.601	4	109.0637	0.361	4	109.3110	0.363	844	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(S[6]C[6,6a])(H)2	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[5a,6]HH)(S[6]C[6,6a])(H)2{1|N<2>,2|C<3>}	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]S[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]S[6]H)	108.0355	0.009	2	108.0355	0.000	2	108.7766	0.216	8	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(S[6]C[6])(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[5a,6]HH)(S[6]C[6])(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]S[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>}	H(C[6]C[6]S[6]H)	109.0237	0.094	6	109.0237	0.009	6	108.7766	0.216	8	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(S[6]C[6])(H)2	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6,6a]HH)(S[6]C[6])(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]S[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]S[6]H)	109.2250	0.000	1	109.2250	0.000	1	109.2530	0.001	3	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(S[6]C[6])(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6,6a]HH)(S[6]C[6])(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]S[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]S[6]H)	109.2670	0.037	2	109.2670	0.001	2	109.2530	0.001	3	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(S[6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]N[6,6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]S[6]H)	109.2299	0.089	8	109.2299	0.008	8	109.2299	0.008	8	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(S[6]C[6])(H)2	C[6](N[6]C[5a]C[6])(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]N[6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5a]C[6])(C[6]S[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]S[6]H)	109.1158	0.098	4	109.1261	0.006	7	109.0972	0.040	42	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(S[6]C[6])(H)2	C[6](N[6]C[5a]C[6])(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]N[6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5a]C[6])(C[6]S[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,2|H<1>}	H(C[6]C[6]S[6]H)	109.1400	0.047	3	109.1261	0.006	7	109.0972	0.040	42	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(S[6]C[6])(H)2	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]N[6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]S[6]H)	109.2638	0.096	4	109.0914	0.047	35	109.0972	0.040	42	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(S[6]C[6])(H)2	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]N[6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]S[6]H)	109.0692	0.220	31	109.0914	0.047	35	109.0972	0.040	42	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	S[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]S[5,6]HH)(S[6]C[6])(H)2	C[6](S[5,6]C[5,6]C[5])(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]S[5,6]HH)(S[6]C[6])(H)2{2|C<4>,2|H<1>}	C[6](S[5,6]C[5,6]C[5])(C[6]S[6]HH)(H)2{1|S<2>,2|C<4>,3|H<1>}	H(C[6]C[6]S[6]H)	109.3470	0.017	2	109.3470	0.000	2	109.3470	0.000	2	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	S[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[5,6])(H)2	C[6](S[6]C[5,6]Cu)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[5,6])(H)2{1|Cu<4>,1|C<3>,1|S<2>}	C[6](S[6]C[5,6]Cu)(C[6]S[6]HH)(H)2{1|C<3>,1|S<2>}	H(C[6]C[6]S[6]H)	108.1520	0.062	2	108.1520	0.004	2	108.6803	0.096	10	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	S[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	C[6](S[6]B[3x3,3x5,12x6]C[6])(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|B<6>,1|C<4>,2|H<1>}	C[6](S[6]B[3x3,3x5,12x6]C[6])(C[6]S[6]HH)(H)2{1|Mo<9>,1|C<4>,1|C<6>,2|H<1>,3|B<6>}	H(C[6]C[6]S[6]H)	108.7275	0.151	4	108.8124	0.023	8	108.6803	0.096	10	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	S[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	C[6](S[6]B[3x3,3x5,12x6]C[6])(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|B<6>,1|C<4>,2|H<1>}	C[6](S[6]B[3x3,3x5,12x6]C[6])(C[6]S[6]HH)(H)2{1|Mo<9>,1|C<4>,2|H<1>,4|B<6>}	H(C[6]C[6]S[6]H)	108.8972	0.109	4	108.8124	0.023	8	108.6803	0.096	10	109.3180	0.459	1070	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HO)(O[6]C[6])(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]HH)(OC)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5a,6]HO)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]HH)(OC)(H){1|N<3>,3|C<3>}	H(C[6]C[6]O[6]H)	108.7805	0.015	2	108.7805	0.000	2	108.7805	0.000	2	109.3533	0.460	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(O[6]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(OC)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(H)2{1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(OC)(H){1|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.3840	0.772	6	109.3840	0.596	6	109.3840	0.596	6	109.3533	0.460	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(O[6]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]O[6]H)(O[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(O[6]C[6])(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.6175	0.029	2	109.6175	0.001	2	109.4490	0.019	6	109.3533	0.460	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(O[6]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(O[6]N[6])(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]O[6]H)(O[6]C[6])(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(O[6]N[6])(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3648	0.062	4	109.3648	0.004	4	109.4490	0.019	6	109.3533	0.460	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:2:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]S[6]H)(S[6]C[5,6])(H)2	C[6](C[6a]C[6a]2)(C[6]S[6]HH)(S[6]C[5,6])(H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6a]S[6]H)(S[6]C[5,6])(H)2{1|S<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]S[6]HH)(S[6]C[5,6])(H){1|S<2>,2|H<1>,3|C<3>}	H(C[6]C[6]S[6]H)	107.3210	0.000	1	107.3210	0.000	1	107.3210	0.000	1	109.3533	0.460	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:2:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	N[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[5,6]HO)(S[6]C[6])(H)2	C[6](N[5,6]N[5,6]C[5])(C[6]S[6]HH)(OH)(H)	H(C[6]C[6]S[6]H)	C[6](C[6]N[5,6]HO)(S[6]C[6])(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](N[5,6]N[5,6]C[5])(C[6]S[6]HH)(OH)(H){1|O<1>,3|C<4>}	H(C[6]C[6]S[6]H)	109.0080	0.076	2	109.0080	0.006	2	109.0080	0.006	2	109.3533	0.460	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:2:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]N[5a]O[6]H)(S[6]C[6])(H)2	C[6](N[5a]C[5a,6a]C[5a])(C[6]S[6]HH)(O[6]C[6])(H)	H(C[6]C[6]S[6]H)	C[6](C[6]N[5a]O[6]H)(S[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[5a]C[5a,6a]C[5a])(C[6]S[6]HH)(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|N<2>}	H(C[6]C[6]S[6]H)	109.7420	0.489	8	109.7420	0.239	8	109.7420	0.239	8	109.3533	0.460	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:2:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(O[6]C[6,6])(H)2	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(O[6]O[6])(CHHS)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]O[6]C)(O[6]C[6,6])(H)2{1|O<2>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(O[6]O[6])(CHHS){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4660	0.011	2	109.4660	0.000	2	109.4660	0.000	2	109.4660	0.000	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(O[6]C[6])(H)2	C[6](C[5a]N[5a]2)(C[6]O[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5a]N[6]H)(O[6]C[6])(H)2{1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[5a]N[5a]2)(C[6]O[6]HH)(N[6]C[6]H)(H){2|C<4>,2|H<1>,2|N<2>}	H(C[6]C[6]O[6]H)	109.8100	0.018	2	109.8100	0.000	2	109.8100	0.000	2	109.1293	0.384	49	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4260	0.041	2	109.3223	0.011	6	109.3223	0.011	6	109.1293	0.384	49	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.3405	0.035	2	109.3223	0.011	6	109.3223	0.011	6	109.1293	0.384	49	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2{3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.2005	0.013	2	109.3223	0.011	6	109.3223	0.011	6	109.1293	0.384	49	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.0525	0.013	2	109.0395	0.059	11	108.9297	0.284	33	109.1293	0.384	49	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H){3|C<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.2975	0.018	2	109.0395	0.059	11	108.9297	0.284	33	109.1293	0.384	49	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.4210	0.000	1	109.0395	0.059	11	108.9297	0.284	33	109.1293	0.384	49	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H){3|C<3>,4|H<1>}	H(C[6]C[6]O[6]H)	108.6520	0.027	2	109.0395	0.059	11	108.9297	0.284	33	109.1293	0.384	49	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.0025	0.034	4	109.0395	0.059	11	108.9297	0.284	33	109.1293	0.384	49	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.5625	0.028	2	109.2412	0.041	8	108.9297	0.284	33	109.1293	0.384	49	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.1058	0.026	4	109.2412	0.041	8	108.9297	0.284	33	109.1293	0.384	49	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.1910	0.014	2	109.2412	0.041	8	108.9297	0.284	33	109.1293	0.384	49	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]O)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]O)(H){3|H<1>,4|C<3>}	H(C[6]C[6]O[6]H)	108.6402	0.100	6	108.6402	0.010	6	108.9297	0.284	33	109.1293	0.384	49	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]S)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{1|S<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]S)(H){3|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.3165	0.039	2	109.3165	0.002	2	108.9297	0.284	33	109.1293	0.384	49	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]N[6]C)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]N[6]C)(H){2|H<1>,4|C<3>}	H(C[6]C[6]O[6]H)	109.3070	0.021	2	109.3070	0.000	2	108.9297	0.284	33	109.1293	0.384	49	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]P[6])(H)2	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]N[6]H)(O[6]P[6])(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H){1|P<4>,3|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	107.9525	0.538	2	108.0565	1.034	4	108.9297	0.284	33	109.1293	0.384	49	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]P[6])(H)2	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]N[6]H)(O[6]P[6])(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H){1|P<4>,3|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	108.1605	1.664	2	108.0565	1.034	4	108.9297	0.284	33	109.1293	0.384	49	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]N[5a,6]CH)(O[6]C[6])(H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(CCH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5a,6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(CCH)(H){1|C<3>,1|C<4>,1|N<2>}	H(C[6]C[6]O[6]H)	109.8005	1.192	4	109.8005	1.421	4	109.8005	1.421	4	109.1293	0.384	49	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6,6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]N[6,6]CH)(O[6]C[6,6])(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]O[6]HH)(COO)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6,6]CH)(O[6]C[6,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]O[6]HH)(COO)(H){1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	109.7370	0.025	2	109.7370	0.001	2	109.7370	0.001	2	109.1293	0.384	49	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(O[6]C[6,6])(H)2	C[6](N[6]C[6,6]S)(C[6]O[6]HH)(CCC)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CH)(O[6]C[6,6])(H)2{1|H<1>,1|S<4>,2|C<4>}	C[6](N[6]C[6,6]S)(C[6]O[6]HH)(CCC)(H){1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	109.2130	0.016	2	109.2130	0.000	2	109.2130	0.000	2	109.1293	0.384	49	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5a]-3:C[6]-4:N[6]-3:C-4:	C[6]-4:	C[6](C[6]C[5a]N[6]C)(O[6]C[6])(H)2	C[6](C[5a]N[5a]2)(C[6]O[6]HH)(N[6]C[6]H)(CH3)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5a]N[6]C)(O[6]C[6])(H)2{1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[5a]N[5a]2)(C[6]O[6]HH)(N[6]C[6]H)(CH3){2|C<4>,2|H<1>,2|N<2>}	H(C[6]C[6]O[6]H)	109.2915	0.018	4	109.2915	0.000	4	109.2915	0.000	4	109.2915	0.000	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(H)2	C[6](C[6,6]C[3x6]C[6])(C[6]O[6]HH)(CH3)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(H)2{3|C<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]O[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	H(C[6]C[6]O[6]H)	109.3743	0.031	4	109.3743	0.001	4	109.3743	0.001	4	109.3552	0.172	80	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(O[6]C[6,6])(H)2	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]HH)(CH3)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6a]CH)(O[6]C[6,6])(H)2{3|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]HH)(CH3)(H){1|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.3402	0.144	6	109.3901	0.033	10	109.3901	0.033	10	109.3552	0.172	80	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(O[6]C[6,6])(H)2	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]HH)(CH3)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6a]CH)(O[6]C[6,6])(H)2{3|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]HH)(CH3)(H){1|O<2>,3|C<3>}	H(C[6]C[6]O[6]H)	109.4650	0.230	4	109.3901	0.033	10	109.3901	0.033	10	109.3552	0.172	80	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(CCCS)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(CCCS)(H){1|C<4>,1|S<4>,2|C<3>}	H(C[6]C[6]O[6]H)	109.4320	0.006	2	109.4320	0.000	2	109.4320	0.000	2	109.3552	0.172	80	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]HH)(H){3|C<3>,4|H<1>}	H(C[6]C[6]O[6]H)	108.9745	0.006	2	109.0970	0.025	8	109.4100	0.094	22	109.3552	0.172	80	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.1378	0.163	6	109.0970	0.025	8	109.4100	0.094	22	109.3552	0.172	80	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]O[6]HH)2(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)2(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4227	0.213	6	109.4227	0.046	6	109.4100	0.094	22	109.3552	0.172	80	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2	C[6](C[6a]C[6a]N[6a])(C[6]O[6]HH)2(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]O[6]HH)2(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]O[6]H)	109.6508	0.085	4	109.6508	0.007	4	109.4100	0.094	22	109.3552	0.172	80	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]P[6,6])(H)2	C[6](C[6a]C[6a]2)(C[6]O[6]HH)2(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]H)(O[6]P[6,6])(H)2{1|O<2>,2|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)2(H){1|P<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.7765	0.030	4	109.7765	0.001	4	109.4100	0.094	22	109.3552	0.172	80	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]CH)(O[6]C[6])(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(CCCH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5,6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(CCCH)(H){1|C<4>,1|O<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.1070	0.017	2	109.1070	0.000	2	109.0207	0.006	6	109.3552	0.172	80	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]CH)(O[6]C[6])(H)2	C[6](N[5,6]C[5,6]O[5])(C[6]O[6]HH)(CH3)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5,6]CH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,1|O<2>}	C[6](N[5,6]C[5,6]O[5])(C[6]O[6]HH)(CH3)(H){1|C<3>,3|C<4>}	H(C[6]C[6]O[6]H)	108.9485	0.022	2	108.9775	0.002	4	109.0207	0.006	6	109.3552	0.172	80	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]CH)(O[6]C[6])(H)2	C[6](N[5,6]C[5,6]O[5])(C[6]O[6]HH)(CH3)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5,6]CH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,1|O<2>}	C[6](N[5,6]C[5,6]O[5])(C[6]O[6]HH)(CH3)(H){4|C<3>}	H(C[6]C[6]O[6]H)	109.0065	0.052	2	108.9775	0.002	4	109.0207	0.006	6	109.3552	0.172	80	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]CH)(O[6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(CC[6a]HH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6,6]CH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(CC[6a]HH)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	109.4133	0.139	4	109.3962	0.016	5	109.3962	0.016	5	109.3552	0.172	80	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]CH)(O[6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(CC[6a]HH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6,6]CH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(CC[6a]HH)(H){3|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.3280	0.000	1	109.3962	0.016	5	109.3962	0.016	5	109.3552	0.172	80	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6,6a]CH)(O[6]C[6,6a])(H)2	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]O[6]HH)(CH3)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6,6a]CH)(O[6]C[6,6a])(H)2{3|C<3>}	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]O[6]HH)(CH3)(H){1|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.5943	0.367	23	109.5943	0.134	23	109.5943	0.134	23	109.3552	0.172	80	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	C[6](N[6]C[3x6]H)(C[6]O[6]HH)(CH3)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|C<4>,3|H<1>}	C[6](N[6]C[3x6]H)(C[6]O[6]HH)(CH3)(H){3|C<4>}	H(C[6]C[6]O[6]H)	109.3275	0.025	2	109.3275	0.001	2	109.1972	0.023	4	109.3552	0.172	80	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(CCHH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|C<4>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.0670	0.000	2	109.0670	0.000	2	109.1972	0.023	4	109.3552	0.172	80	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:4:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(S[6]C[6])(H)2	C[6](C[6a]C[6a]N[6a])(C[6]S[6]HH)2(H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6a]C[6]H)(S[6]C[6])(H)2{1|C<3>,1|N<2>,1|S<1>,1|S<2>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]S[6]HH)2(H){1|H<1>,3|C<3>}	H(C[6]C[6]S[6]H)	108.1423	0.223	4	108.1423	0.050	4	108.1423	0.050	4	109.3552	0.172	80	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	3:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[3,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]N[3,6]CC)(O[6]C[6])(H)2	C[6](N[3,6]C[3,6,6]C[3,6])(C[6]O[6]HH)(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[3,6]CC)(O[6]C[6])(H)2{1|O<1>,2|C<4>}	C[6](N[3,6]C[3,6,6]C[3,6])(C[6]O[6]HH)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	109.0740	0.000	1	109.0740	0.000	1	109.0740	0.000	1	109.0740	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(C[6]S[6])(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)(C[6]S[6])(H)2{1|C<3>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|S<2>}	H(C[6]C[6]2H)	108.0285	6.004	2	108.0285	36.049	2	108.0285	36.049	2	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6])(H)2	C[6](C[6]N[6]HH)(N[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6])(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6])(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	107.6204	1.235	8	109.0994	4.867	16	109.0994	4.867	16	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6])(H)2	C[6](C[6]N[6]HH)(N[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6])(H)2{2|C<3>}	C[6](C[6]N[6]HH)(N[6]C[6])(H)2{2|C<3>}	H(C[6]C[6]N[6]H)	110.5784	1.976	8	109.0994	4.867	16	109.0994	4.867	16	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6])(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6])(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.1410	0.401	6	109.1410	0.161	6	109.1410	0.161	6	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6])(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6])(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.5451	0.652	7	109.5451	0.425	7	109.5451	0.425	7	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[3x6])(H)2	C[6](C[6]O[6]HH)(O[6]C[3x6])(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[3x6])(H)2{1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]O[6]HH)(O[6]C[3x6])(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[6]C[6]O[6]H)	109.7189	0.107	34	109.7107	0.012	38	109.3829	1.986	2305	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[3x6])(H)2	C[6](C[6]O[6]HH)(O[6]C[3x6])(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[3x6])(H)2{1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]O[6]HH)(O[6]C[3x6])(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]O[6]H)	109.7440	0.013	2	109.7107	0.012	38	109.3829	1.986	2305	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[3x6])(H)2	C[6](C[6]O[6]HH)(O[6]C[3x6])(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[3x6])(H)2{1|C<4>,2|C<3>}	C[6](C[6]O[6]HH)(O[6]C[3x6])(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[6]C[6]O[6]H)	109.5385	0.009	2	109.7107	0.012	38	109.3829	1.986	2305	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2{1|C<3>,1|S<2>}	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2{1|C<3>,1|S<2>}	H(C[6]C[6]O[6]H)	108.7306	2.849	322	108.7706	7.484	356	109.3829	1.986	2305	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2{1|C<3>,2|C<4>}	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]H)	109.8480	0.000	1	108.7706	7.484	356	109.3829	1.986	2305	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2{1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	109.8670	0.000	1	108.7706	7.484	356	109.3829	1.986	2305	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2{1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]H)	109.7375	0.135	4	108.7706	7.484	356	109.3829	1.986	2305	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2{1|H<1>,2|C<4>}	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	109.6085	0.489	4	108.7706	7.484	356	109.3829	1.986	2305	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2{1|Se<2>,1|C<3>}	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2{1|Se<2>,1|C<3>}	H(C[6]C[6]O[6]H)	108.0338	1.279	12	108.7706	7.484	356	109.3829	1.986	2305	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2{2|C<3>}	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2{2|C<3>}	H(C[6]C[6]O[6]H)	109.7978	0.664	12	108.7706	7.484	356	109.3829	1.986	2305	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]O[6]H)	110.0705	0.025	2	109.6140	0.057	29	109.3829	1.986	2305	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[6]C[6]O[6]H)	109.6564	0.076	10	109.6140	0.057	29	109.3829	1.986	2305	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>}	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]H)	109.5765	0.009	2	109.6140	0.057	29	109.3829	1.986	2305	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2{1|C<4>,1|H<1>,1|S<2>}	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2{1|C<4>,1|H<1>,1|S<2>}	H(C[6]C[6]O[6]H)	109.3779	0.285	7	109.6140	0.057	29	109.3829	1.986	2305	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2{1|C<4>,2|C<3>}	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	109.4190	0.045	2	109.6140	0.057	29	109.3829	1.986	2305	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2{1|H<1>,2|C<4>}	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]O[6]H)	109.8835	0.012	2	109.6140	0.057	29	109.3829	1.986	2305	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2{1|O<2>,2|C<4>}	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2{1|O<2>,2|C<4>}	H(C[6]C[6]O[6]H)	109.6745	0.016	4	109.6140	0.057	29	109.3829	1.986	2305	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4740	0.000	1	109.4886	0.934	1882	109.3829	1.986	2305	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>}	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]O[6]H)	111.5720	0.395	2	109.4886	0.934	1882	109.3829	1.986	2305	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>}	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]O[6]H)	110.7545	1.377	2	109.4886	0.934	1882	109.3829	1.986	2305	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>}	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{2|C<3>}	H(C[6]C[6]O[6]H)	111.3405	0.600	2	109.4886	0.934	1882	109.3829	1.986	2305	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4780	0.037	2	109.4886	0.934	1882	109.3829	1.986	2305	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]H)	109.4280	0.000	1	109.4886	0.934	1882	109.3829	1.986	2305	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]H)	109.6100	0.008	2	109.4886	0.934	1882	109.3829	1.986	2305	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4765	0.953	1860	109.4886	0.934	1882	109.3829	1.986	2305	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	110.7435	1.587	4	109.4886	0.934	1882	109.3829	1.986	2305	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|H<1>,2|C<4>}	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	111.2933	2.470	4	109.4886	0.934	1882	109.3829	1.986	2305	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{2|C<3>}	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]O[6]H)	109.2820	0.498	2	109.4886	0.934	1882	109.3829	1.986	2305	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>}	C[6](C[6]O[6]HH)(S[6]C[6])(H)2{2|C<3>}	H(C[6]C[6]O[6]H)	109.3108	0.050	6	109.2754	0.013	10	109.2754	0.013	10	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{2|C<3>}	C[6](C[6]O[6]HH)(S[6]C[6])(H)2{2|C<3>}	H(C[6]C[6]O[6]H)	109.2223	0.170	4	109.2754	0.013	10	109.2754	0.013	10	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)(C[6]S[6])(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|S<2>}	C[6](C[6]S[6]HH)(C[6]S[6])(H)2{1|C<3>}	H(C[6]C[6]S[6]H)	108.3065	4.532	2	108.3065	20.538	2	108.3065	20.538	2	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]O[6]HH)(S[6]C[6])(H)2{2|C<3>}	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]S[6]H)	109.6612	0.063	6	109.7225	0.007	11	109.7225	0.007	11	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]O[6]HH)(S[6]C[6])(H)2{2|C<3>}	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{2|C<3>}	H(C[6]C[6]S[6]H)	109.7962	0.029	5	109.7225	0.007	11	109.7225	0.007	11	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[5,6])(H)2	C[6](C[6]S[6]HH)(S[6]C[5,6])(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[5,6])(H)2{1|C<3>,1|S<2>}	C[6](C[6]S[6]HH)(S[6]C[5,6])(H)2{1|C<3>,1|S<2>}	H(C[6]C[6]S[6]H)	108.2623	2.705	1333	108.2556	7.008	1420	108.2859	6.612	1523	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[5,6])(H)2	C[6](C[6]S[6]HH)(S[6]C[5,6])(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[5,6])(H)2{1|Se<2>,1|C<3>}	C[6](C[6]S[6]HH)(S[6]C[5,6])(H)2{1|Se<2>,1|C<3>}	H(C[6]C[6]S[6]H)	108.1260	1.550	83	108.2556	7.008	1420	108.2859	6.612	1523	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[5,6])(H)2	C[6](C[6]S[6]HH)(S[6]C[5,6])(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[5,6])(H)2{2|C<3>}	C[6](C[6]S[6]HH)(S[6]C[5,6])(H)2{2|C<3>}	H(C[6]C[6]S[6]H)	108.7035	0.025	4	108.2556	7.008	1420	108.2859	6.612	1523	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6,6])(H)2	C[6](C[6]S[6]HH)(S[6]C[6,6])(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6,6])(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]S[6]HH)(S[6]C[6,6])(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]S[6]H)	108.8665	0.023	2	108.7974	0.116	8	108.2859	6.612	1523	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6,6])(H)2	C[6](C[6]S[6]HH)(S[6]C[6,6])(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6,6])(H)2{1|H<1>,2|C<4>}	C[6](C[6]S[6]HH)(S[6]C[6,6])(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]S[6]H)	109.2740	0.040	2	108.7974	0.116	8	108.2859	6.612	1523	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6,6])(H)2	C[6](C[6]S[6]HH)(S[6]C[6,6])(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6,6])(H)2{2|C<3>}	C[6](C[6]S[6]HH)(S[6]C[6,6])(H)2{2|C<3>}	H(C[6]C[6]S[6]H)	108.5245	0.127	4	108.7974	0.116	8	108.2859	6.612	1523	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]S[6]H)	109.1070	0.055	2	108.6967	1.038	95	108.2859	6.612	1523	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>}	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]S[6]H)	108.8852	0.330	4	108.6967	1.038	95	108.2859	6.612	1523	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>}	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]S[6]H)	108.2260	0.035	2	108.6967	1.038	95	108.2859	6.612	1523	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|C<3>,1|N<2>}	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|C<3>,1|N<2>}	H(C[6]C[6]S[6]H)	109.3480	0.017	2	108.6967	1.038	95	108.2859	6.612	1523	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|C<3>,1|S<2>}	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|C<3>,1|S<2>}	H(C[6]C[6]S[6]H)	108.5198	1.480	39	108.6967	1.038	95	108.2859	6.612	1523	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|C<4>,2|C<3>}	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|C<2>,1|C<4>,1|H<1>}	H(C[6]C[6]S[6]H)	108.7240	0.033	2	108.6967	1.038	95	108.2859	6.612	1523	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|C<4>,2|H<1>}	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	108.9816	0.164	16	108.6967	1.038	95	108.2859	6.612	1523	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|H<1>,2|C<3>}	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]S[6]H)	108.4030	0.016	2	108.6967	1.038	95	108.2859	6.612	1523	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|Se<2>,1|C<3>}	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|Se<2>,1|C<3>}	H(C[6]C[6]S[6]H)	108.5630	0.752	15	108.6967	1.038	95	108.2859	6.612	1523	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|U<12>,1|C<4>,1|S<2>}	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|U<12>,1|C<4>,1|S<2>}	H(C[6]C[6]S[6]H)	108.9639	0.130	11	108.6967	1.038	95	108.2859	6.612	1523	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:Se[6]-2:H-1:H-1:	C[6]-4:Se[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]Se[6]HH)(Se[6]C[5,6])(H)2	C[6](C[6]Se[6]HH)(Se[6]C[5,6])(H)2	H(C[6]Se[6]C[6]H)	C[6](C[6]Se[6]HH)(Se[6]C[5,6])(H)2{1|C<3>,1|S<2>}	C[6](C[6]Se[6]HH)(Se[6]C[5,6])(H)2{1|C<3>,1|S<2>}	H(C[6]Se[6]C[6]H)	106.9622	2.330	102	107.0134	5.124	110	107.0833	5.086	114	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:Se[6]-2:H-1:H-1:	C[6]-4:Se[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]Se[6]HH)(Se[6]C[5,6])(H)2	C[6](C[6]Se[6]HH)(Se[6]C[5,6])(H)2	H(C[6]Se[6]C[6]H)	C[6](C[6]Se[6]HH)(Se[6]C[5,6])(H)2{1|Se<2>,1|C<3>}	C[6](C[6]Se[6]HH)(Se[6]C[5,6])(H)2{1|Se<2>,1|C<3>}	H(C[6]Se[6]C[6]H)	107.6661	0.974	8	107.0134	5.124	110	107.0833	5.086	114	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:1:1:	4:	C[6]-4:Se[6]-2:H-1:H-1:	C[6]-4:Se[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]Se[6]HH)(Se[6]C[6])(H)2	C[6](C[6]Se[6]HH)(Se[6]C[6])(H)2	H(C[6]Se[6]C[6]H)	C[6](C[6]Se[6]HH)(Se[6]C[6])(H)2{1|C<3>,1|S<2>}	C[6](C[6]Se[6]HH)(Se[6]C[6])(H)2{1|C<3>,1|S<2>}	H(C[6]Se[6]C[6]H)	109.0050	0.551	4	109.0050	0.303	4	107.0833	5.086	114	108.8975	4.218	3996	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]O[6]HO)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(O[6]C[6])(OC)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HO)(O[6]C[6])(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(O[6]C[6])(OC)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	108.9720	0.020	2	108.9720	0.000	2	108.9720	0.000	2	108.9720	0.000	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(O[6]C[6,6])(H)2	C[6](C[6]O[6]HH)(O[6]C[6,6])(CCC)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]CH)(O[6]C[6,6])(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]O[6]HH)(O[6]C[6,6])(CCC)(H){1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	109.2680	0.186	6	109.2680	0.034	6	109.7090	1.139	10	109.4341	1.393	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(O[6]O[6])(CCC)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]CH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]O[6]HH)(O[6]O[6])(CCC)(H){1|C<4>}	H(C[6]C[6]O[6]H)	111.0635	2.289	2	110.3705	2.387	4	109.7090	1.139	10	109.4341	1.393	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(O[6]O[6])(CCC)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]CH)(O[6]C[6])(H)2{1|O<2>,2|C<4>}	C[6](C[6]O[6]HH)(O[6]O[6])(CCC)(H){1|C<4>}	H(C[6]C[6]O[6]H)	109.6775	0.021	2	110.3705	2.387	4	109.7090	1.139	10	109.4341	1.393	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:3:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:C[5]-3:H-1:	C[6]-4:	C[6](C[6]C[5]S[6]H)(S[6]C[5,6])(H)2	C[6](C[6]S[6]HH)(S[6]C[5,6])(C[5]C[5]2)(H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[5]S[6]H)(S[6]C[5,6])(H)2{1|C<4>,1|S<2>,2|C<3>}	C[6](C[6]S[6]HH)(S[6]C[5,6])(C[5]C[5]2)(H){1|C<3>,1|H<1>,1|N<3>,1|S<2>,3|C<4>}	H(C[6]C[6]S[6]H)	108.0595	0.733	2	108.0595	0.538	2	108.0595	0.538	2	109.4341	1.393	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:4:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6])(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CHHN)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6])(H)2{2|C<3>}	C[6](C[6]N[6]HH)(O[6]C[6])(CHHN)(H){1|C<3>,1|O<1>}	H(C[6]C[6]N[6]H)	109.3933	0.190	6	109.3933	0.036	6	109.3933	0.036	6	108.7585	1.096	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(O[6]N[6])(CCHH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]CH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]O[6]HH)(O[6]N[6])(CCHH)(H){1|C<3>,1|C<4>}	H(C[6]C[6]O[6]H)	109.5640	0.007	2	109.5640	0.000	2	109.5640	0.000	2	108.7585	1.096	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:4:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]S[6]H)	C[6](C[6]O[6]CH)(S[6]C[6])(H)2{1|C<4>,2|H<1>}	C[6](C[6]S[6]HH)(O[6]C[6])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]S[6]H)	109.1357	0.364	7	109.1357	0.133	7	109.1357	0.133	7	108.7585	1.096	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:4:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]S[6]CH)(S[6]C[5,6])(H)2	C[6](C[6]S[6]HH)(S[6]C[5,6])(CCHH)(H)	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]CH)(S[6]C[5,6])(H)2{1|C<3>,1|S<2>}	C[6](C[6]S[6]HH)(S[6]C[5,6])(CCHH)(H){1|C<3>,1|S<2>}	H(C[6]C[6]S[6]H)	108.3739	0.205	16	108.3739	0.042	16	108.3747	1.479	21	108.7585	1.096	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:4:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]S[6]CH)(S[6]C[5,6])(H)2	C[6](C[6]S[6]HH)(S[6]C[5,6])(CH3)(H)	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]CH)(S[6]C[5,6])(H)2{1|C<3>,1|S<2>}	C[6](C[6]S[6]HH)(S[6]C[5,6])(CH3)(H){1|C<3>,1|S<2>}	H(C[6]C[6]S[6]H)	107.5865	5.168	2	107.5865	26.711	2	108.3747	1.479	21	108.7585	1.096	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:4:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]S[6]CH)(S[6]C[5,6])(H)2	C[6](C[6]S[6]HH)(S[6]C[5,6])(CHHO)(H)	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]CH)(S[6]C[5,6])(H)2{1|C<3>,1|S<2>}	C[6](C[6]S[6]HH)(S[6]C[5,6])(CHHO)(H){1|C<3>,1|S<2>}	H(C[6]C[6]S[6]H)	109.0585	0.021	2	109.0585	0.000	2	108.3747	1.479	21	108.7585	1.096	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:4:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]S[6]CH)(S[6]C[5,6])(H)2	C[6](C[6]S[6]HH)(S[6]C[5,6])(CHHS)(H)	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]CH)(S[6]C[5,6])(H)2{1|C<3>,1|S<2>}	C[6](C[6]S[6]HH)(S[6]C[5,6])(CHHS)(H){1|C<3>,1|S<2>}	H(C[6]C[6]S[6]H)	108.5970	0.000	1	108.5970	0.000	1	108.3747	1.479	21	108.7585	1.096	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:	C[6](C[6]O[6]CC)(O[6]C[3x6])(H)2	C[6](C[6]O[6]HH)(O[6]O[6])(CH3)(CCH)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]CC)(O[6]C[3x6])(H)2{1|O<2>,2|C<4>}	C[6](C[6]O[6]HH)(O[6]O[6])(CH3)(CCH){1|C<4>}	H(C[6]C[6]O[6]H)	109.2675	0.009	2	109.2675	0.000	2	109.5292	0.052	9	109.5292	0.052	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:	C[6](C[6]O[6]CC)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(O[6]C[6])(CCHH)(CHN)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]CC)(O[6]C[6])(H)2{1|O<2>,2|C<4>}	C[6](C[6]O[6]HH)(O[6]C[6])(CCHH)(CHN){1|O<2>,2|C<4>}	H(C[6]C[6]O[6]H)	109.4905	0.037	4	109.4905	0.001	4	109.5292	0.052	9	109.5292	0.052	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:2:4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:	C[6](C[6]O[6]CC)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(O[6]C[6])(CCHH)(CHO)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]CC)(O[6]C[6])(H)2{1|O<2>,2|C<4>}	C[6](C[6]O[6]HH)(O[6]C[6])(CCHH)(CHO){1|O<2>,2|C<4>}	H(C[6]C[6]O[6]H)	109.7553	0.240	3	109.7553	0.058	3	109.5292	0.052	9	109.5292	0.052	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6])(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6])(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<2>,2|C<4>}	H(C[6]C[6]2H)	109.5925	0.025	2	109.5925	0.001	2	109.5925	0.001	2	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6])(H)2	C[6](C[6]N[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6])(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]N[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|S<4>}	H(C[6]C[6]N[6]H)	109.8215	0.035	4	109.8215	0.001	4	109.8215	0.001	4	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6])(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6])(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	111.2308	5.286	4	111.2308	27.945	4	110.4675	12.643	8	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6])(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6])(H)2{1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7043	0.048	4	109.7043	0.002	4	110.4675	12.643	8	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	C[6](C[6]O[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<3>,3|C<4>}	C[6](C[6]O[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>}	H(C[6]C[6]O[6]H)	109.2880	0.011	2	109.2880	0.000	2	109.7458	1.026	25	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]H)	112.9875	1.193	2	110.7506	4.526	5	109.7458	1.026	25	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(C[6]C[6]C)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.2593	0.037	3	110.7506	4.526	5	109.7458	1.026	25	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<3>,2|H<1>}	C[6](C[6]O[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]O[6]H)	109.5665	0.047	4	109.5665	0.002	4	109.7458	1.026	25	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]H)	109.4740	0.013	2	109.5036	0.008	14	109.7458	1.026	25	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2{1|Br<1>,1|C<3>}	H(C[6]C[6]O[6]H)	109.5625	0.047	4	109.5036	0.008	14	109.7458	1.026	25	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]O[6]H)	109.4360	0.004	2	109.5036	0.008	14	109.7458	1.026	25	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|I<1>}	H(C[6]C[6]O[6]H)	109.6425	0.015	2	109.5036	0.008	14	109.7458	1.026	25	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2{1|Cl<1>,1|C<3>}	H(C[6]C[6]O[6]H)	109.4237	0.045	4	109.5036	0.008	14	109.7458	1.026	25	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6,6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6,6])(H)2{1|S<4>,3|C<4>}	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3635	0.026	2	109.3635	0.001	2	109.3303	0.460	1832	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]O[6]H)	109.2234	0.278	8	109.4231	0.915	117	109.3303	0.460	1832	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3628	0.170	4	109.4231	0.915	117	109.3303	0.460	1832	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3377	0.050	3	109.4231	0.915	117	109.3303	0.460	1832	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	109.0575	0.624	4	109.4231	0.915	117	109.3303	0.460	1832	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4410	0.192	9	109.4231	0.915	117	109.3303	0.460	1832	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|H<1>,2|N<2>}	H(C[6]C[6]O[6]H)	109.3695	0.233	31	109.4231	0.915	117	109.3303	0.460	1832	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	109.2938	0.167	4	109.4231	0.915	117	109.3303	0.460	1832	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|H<1>,2|C<3>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|H<1>,2|N<2>}	H(C[6]C[6]O[6]H)	114.7640	5.296	2	109.4231	0.915	117	109.3303	0.460	1832	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]H)	109.3125	0.081	4	109.4231	0.915	117	109.3303	0.460	1832	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.3013	1.036	15	109.4231	0.915	117	109.3303	0.460	1832	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.3220	0.039	4	109.4231	0.915	117	109.3303	0.460	1832	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.2883	0.142	13	109.4231	0.915	117	109.3303	0.460	1832	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.3808	0.153	16	109.4231	0.915	117	109.3303	0.460	1832	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<2>,1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4468	0.128	19	109.3188	0.477	1460	109.3303	0.460	1832	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3115	0.874	692	109.3188	0.477	1460	109.3303	0.460	1832	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>}	H(C[6]C[6]O[6]H)	109.7775	0.021	2	109.3188	0.477	1460	109.3303	0.460	1832	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	109.5915	0.019	2	109.3188	0.477	1460	109.3303	0.460	1832	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]H)	109.2020	0.000	1	109.3188	0.477	1460	109.3303	0.460	1832	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]H)	109.2210	0.019	3	109.3188	0.477	1460	109.3303	0.460	1832	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3207	0.476	740	109.3188	0.477	1460	109.3303	0.460	1832	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	109.4980	0.000	1	109.3188	0.477	1460	109.3303	0.460	1832	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,3|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]H)	109.3870	0.013	2	109.3631	0.131	53	109.3303	0.460	1832	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,3|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]H)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	109.5130	0.014	3	109.3631	0.131	53	109.3303	0.460	1832	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,3|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]H)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3528	0.379	48	109.3631	0.131	53	109.3303	0.460	1832	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.2983	0.187	32	109.2961	0.029	43	109.3303	0.460	1832	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.2897	0.106	11	109.2961	0.029	43	109.3303	0.460	1832	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,1|P<3>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4183	0.093	3	109.3317	0.035	117	109.3303	0.460	1832	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,1|P<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3245	0.187	106	109.3317	0.035	117	109.3303	0.460	1832	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,1|P<5>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3950	0.205	8	109.3317	0.035	117	109.3303	0.460	1832	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]Ru)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Ru<9>,1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]Ru)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.1697	1.025	4	109.1697	1.050	4	109.3303	0.460	1832	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3237	0.054	4	109.5003	0.609	36	109.3303	0.460	1832	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3806	0.105	28	109.5003	0.609	36	109.3303	0.460	1832	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	110.5148	2.336	4	109.5003	0.609	36	109.3303	0.460	1832	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(O[6]C[6]Cu)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|Cu<5>,1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(O[6]C[6]Cu)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3758	0.213	13	109.3758	0.046	13	109.1739	1.452	48	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(O[6]C[6]Li)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|Li<3>,1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(O[6]C[6]Li)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4414	0.123	5	109.3830	0.019	9	109.1739	1.452	48	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(O[6]C[6]Li)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|Li<4>,1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(O[6]C[6]Li)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3100	0.132	4	109.3830	0.019	9	109.1739	1.452	48	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(O[6]C[6]Mg)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|Mg<4>,1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(O[6]C[6]Mg)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4124	0.158	20	109.4124	0.025	20	109.1739	1.452	48	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(O[6]C[6]Mn)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|Mn<6>,1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(O[6]C[6]Mn)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.5282	0.267	4	109.5282	0.071	4	109.1739	1.452	48	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(O[6]C[6]W)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|W<6>}	C[6](C[6]O[6]HH)(O[6]C[6]W)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]O[6]H)	103.8260	2.666	2	103.8260	7.106	2	109.1739	1.452	48	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(S[6]C[6]B)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{1|B<4>,1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(S[6]C[6]B)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.2120	0.120	4	109.2120	0.014	4	108.9773	0.120	32	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(S[6]C[6]Os)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{1|Os<3>,1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(S[6]C[6]Os)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	108.6720	0.390	4	108.5099	0.107	8	108.9773	0.120	32	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(S[6]C[6]Os)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{1|Os<4>,1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(S[6]C[6]Os)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	108.3477	0.165	4	108.5099	0.107	8	108.9773	0.120	32	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(S[6]C[6]Pd)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{1|Pd<4>,1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(S[6]C[6]Pd)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.0411	0.150	7	109.0411	0.022	7	108.9773	0.120	32	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(S[6]C[6]Ru)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{1|Ru<6>,1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(S[6]C[6]Ru)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.1013	0.119	11	109.1013	0.014	11	108.9773	0.120	32	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]N[6])(H)2	C[6](C[6]O[6]HH)(S[6]C[6]O)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]HH)(O[6]N[6])(H)2{1|C<3>,1|O<1>}	C[6](C[6]O[6]HH)(S[6]C[6]O)(H)2{1|C<3>,1|N<2>}	H(C[6]C[6]O[6]H)	109.4730	0.008	2	109.4730	0.000	2	108.9773	0.120	32	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]S[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,1|O<2>}	H(C[6]C[6]S[6]H)	109.3060	0.008	2	109.0584	0.022	14	109.2296	0.100	27	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]S[6]HH)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]S[6]H)	109.0171	0.116	12	109.0584	0.022	14	109.2296	0.100	27	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]S[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]S[6]H)	109.5429	0.360	8	109.4140	0.121	13	109.2296	0.100	27	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]S[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]S[6]H)	109.1663	0.300	3	109.4140	0.121	13	109.2296	0.100	27	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|N<2>,1|N<3>,1|O<1>}	C[6](C[6]S[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]S[6]H)	109.2700	0.034	2	109.4140	0.121	13	109.2296	0.100	27	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]N[6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]S[6]H)	109.2019	0.326	8	109.2019	0.106	8	109.2657	0.685	51	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]N[6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	109.1134	0.198	14	109.3111	0.949	36	109.2657	0.685	51	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]N[6]HH)(S[6]C[6])(H)2{2|C<4>,2|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	109.4369	1.231	22	109.3111	0.949	36	109.2657	0.685	51	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]N[6]HH)(S[6]C[6])(H)2{1|C<4>,3|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]H)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	109.1477	0.040	3	109.1477	0.002	3	109.2657	0.685	51	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]N[6]HH)(S[6]C[6])(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	109.0735	0.046	4	109.0735	0.002	4	109.2657	0.685	51	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:Se[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(Se[6]C[6])(H)2	C[6](C[6]Se[6]HH)(N[6]C[6]2)(H)2	H(C[6]Se[6]C[6]H)	C[6](C[6]N[6]HH)(Se[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]Se[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]Se[6]C[6]H)	109.3220	0.355	6	109.3220	0.126	6	109.3141	0.077	10	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:1:1:	4:	C[6]-4:Se[6]-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(Se[6]C[6])(H)2	C[6](C[6]Se[6]HH)(N[6]C[6]C)(H)2	H(C[6]Se[6]C[6]H)	C[6](C[6]N[6]HH)(Se[6]C[6])(H)2{2|C<4>,2|H<1>}	C[6](C[6]Se[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	H(C[6]Se[6]C[6]H)	109.3023	0.144	4	109.3023	0.021	4	109.3141	0.077	10	109.3289	0.533	2039	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(C[6]C[6]H)(OH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|H<1>}	H(C[6]C[6]O[6]H)	109.0400	0.079	3	109.0400	0.006	3	109.0400	0.006	3	109.0400	0.006	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[5]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(C[5]C[5]2)(C[6]C[6]C)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5]C[6]H)(O[6]C[6])(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(C[5]C[5]2)(C[6]C[6]C)(H){1|N<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.1560	0.023	2	109.1560	0.001	2	109.1560	0.001	2	109.2046	0.463	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(C[6]C[6]C)(CCH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(C[6]C[6]C)(CCH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	110.4555	0.586	2	110.4555	0.344	2	110.4555	0.344	2	109.2046	0.463	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]S)(CCC)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]O[6]HH)(N[6]C[6]S)(CCC)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	108.7675	0.019	2	108.7180	0.011	6	108.9040	0.127	8	109.2046	0.463	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]S)(CCC)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]O[6]HH)(N[6]C[6]S)(CCC)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	108.6933	0.127	4	108.7180	0.011	6	108.9040	0.127	8	109.2046	0.463	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]S)(COO)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]O[6]HH)(N[6]C[6]S)(COO)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4620	0.027	2	109.4620	0.001	2	108.9040	0.127	8	109.2046	0.463	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:3:2:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-3:N-3:O-2:	C[6]-4:	C[6](C[6]C[6]NO)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)(C[6]C[6]O)(NCH)(ON)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]NO)(S[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]S[6]HH)(C[6]C[6]O)(NCH)(ON){1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	108.8375	0.005	2	108.8375	0.000	2	108.8375	0.000	2	108.8375	0.000	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:	C[6](C[6]C[6]HS)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(C[6]C[6]C)(SC[6a]OO)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HS)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(C[6]C[6]C)(SC[6a]OO)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]H)	108.9735	0.053	2	108.9735	0.003	2	108.9735	0.003	2	109.0872	2.985	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6])(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6]O[6]H)	108.9135	0.025	2	108.9135	0.001	2	109.4281	0.489	18	109.0872	2.985	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(H)2	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6]O[6]H)	110.1520	1.307	4	109.7434	0.927	8	109.4281	0.489	18	109.0872	2.985	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(H)2	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH)(H){2|H<1>,4|C<3>}	H(C[6]C[6]O[6]H)	109.3347	0.101	4	109.7434	0.927	8	109.4281	0.489	18	109.0872	2.985	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.2017	0.187	6	109.2017	0.035	6	109.4281	0.489	18	109.0872	2.985	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]O[6]H)	109.3610	0.014	2	109.3610	0.000	2	109.4281	0.489	18	109.0872	2.985	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(CBrHH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(CBrHH)(H){1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	109.3143	0.088	8	109.3143	0.008	8	109.2989	0.345	21	109.0872	2.985	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|O<1>,2|C<4>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|H<1>,2|C<3>}	H(C[6]C[6]O[6]H)	109.6565	0.005	2	109.6565	0.000	2	109.2989	0.345	21	109.0872	2.985	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(CC[6a]HN)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(CC[6a]HN)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.2190	0.000	1	109.2190	0.000	1	109.2989	0.345	21	109.0872	2.985	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]S)(CC[6a]HH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|C<3>,1|S<4>,2|C<4>}	C[6](C[6]O[6]HH)(N[6]C[6]S)(CC[6a]HH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.5745	0.033	2	108.7433	1.559	4	109.2989	0.345	21	109.0872	2.985	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]S)(CC[6a]HH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]O[6]HH)(N[6]C[6]S)(CC[6a]HH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	107.9120	1.383	2	108.7433	1.559	4	109.2989	0.345	21	109.0872	2.985	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]S)(CH3)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]O[6]HH)(N[6]C[6]S)(CH3)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.2240	0.023	2	109.2240	0.001	2	109.2989	0.345	21	109.0872	2.985	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]N[6]C)(CC[6a]HH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]O[6]HH)(N[6]N[6]C)(CC[6a]HH)(H){1|C<3>,1|H<1>}	H(C[6]C[6]O[6]H)	109.7022	0.020	4	109.7022	0.000	4	109.2989	0.345	21	109.0872	2.985	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:S[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]S[6]CH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(S[6]C[6]Cu)(CHHS)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]CH)(O[6]C[6])(H)2{1|Cu<5>,1|C<4>,1|H<1>}	C[6](C[6]O[6]HH)(S[6]C[6]Cu)(CHHS)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]H)	108.9230	2.739	2	108.9230	7.504	2	108.9958	1.506	6	109.0872	2.985	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:S[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]S[6]CH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(S[6]C[6]O)(CH3)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]O[6]HH)(S[6]C[6]O)(CH3)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.0323	0.058	4	109.0323	0.003	4	108.9958	1.506	6	109.0872	2.985	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:4:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[5]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(S[6]C[6,6a])(H)2	C[6](C[5]C[5,6a]C[5]C)(C[6]C[6,6a]C)(C[6]S[6]HH)(H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[5]C[6]H)(S[6]C[6,6a])(H)2{6|C<3>}	C[6](C[5]C[5,6a]C[5]C)(C[6]C[6,6a]C)(C[6]S[6]HH)(H){1|N<3>,1|O<1>,4|C<3>}	H(C[6]C[6]S[6]H)	108.8470	0.006	2	108.8470	0.000	2	108.8470	0.000	2	109.0872	2.985	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:4:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)(C[6]C[6]O)(CCCH)(H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]CH)(S[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]S[6]HH)(C[6]C[6]O)(CCCH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	108.9055	0.050	2	108.9055	0.003	2	108.1546	15.385	10	109.0872	2.985	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:4:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)(C[6]C[6]O)(CC[6a]HN)(H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]CH)(S[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]S[6]HH)(C[6]C[6]O)(CC[6a]HN)(H){1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	108.8763	0.043	6	108.8763	0.002	6	108.1546	15.385	10	109.0872	2.985	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:4:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)(C[6]C[6]O)(CH3)(H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]CH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]S[6]HH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|H<1>}	H(C[6]C[6]S[6]H)	105.2383	10.825	2	105.2383	117.187	2	108.1546	15.385	10	109.0872	2.985	59	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:4:2:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5]-4:C[6]-3:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[5]C[6]N)(O[6]C[6,6a])(H)2	C[6](C[5]C[5,6a]C[5]N)(C[6]C[6,6a]O)(C[6]O[6]HH)(NN)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5]C[6]N)(O[6]C[6,6a])(H)2{1|N<3>,1|O<1>,4|C<3>}	C[6](C[5]C[5,6a]C[5]N)(C[6]C[6,6a]O)(C[6]O[6]HH)(NN){1|N<3>,1|O<1>,4|C<3>}	H(C[6]C[6]O[6]H)	108.9100	0.000	1	108.9100	0.000	1	108.9100	0.000	1	108.9100	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-3:	C[6]-4:	C[6](C[6]N[6]CC)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]H)(CH3)(CNO)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CC)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]O[6]HH)(N[6]C[6]H)(CH3)(CNO){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]H)	109.5300	0.000	1	109.5300	0.000	1	109.5300	0.000	1	109.5300	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(C[6]C[6]N)(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|H<1>,1|N<2>,2|C<4>}	C[6](C[6]O[6]HH)(C[6]C[6]N)(CH3)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	108.3885	0.019	2	108.3885	0.000	2	108.3885	0.000	2	109.3293	1.026	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]N[6]CC)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(CHHN)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CC)(O[6]C[6])(H)2{1|O<1>,2|C<4>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(CHHN)2{1|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.0187	0.095	4	109.0187	0.009	4	109.5174	1.018	10	109.3293	1.026	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:3:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]N[6]CC)(O[6]P[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]H)(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CC)(O[6]P[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]O[6]HH)(N[6]C[6]H)(CH3)2{1|C<4>,1|H<1>,1|P<4>}	H(C[6]C[6]O[6]H)	109.8498	1.223	6	109.8498	1.496	6	109.5174	1.018	10	109.3293	1.026	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6])(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6])(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	108.9480	0.116	2	109.1673	0.046	6	109.0469	0.054	10	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6])(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6])(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|P<4>}	H(C[6]C[6]2H)	109.2770	0.156	4	109.1673	0.046	6	109.0469	0.054	10	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6])(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6])(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.8663	0.110	4	108.8663	0.012	4	109.0469	0.054	10	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6])(H)2	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6])(H)2{1|O<2>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]N[6]HH)(H)2{1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[6]N[6]H)	108.9250	0.267	5	108.9250	0.071	5	108.9250	0.071	5	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6])(H)2	C[6](C[6,6]C[6,6a]C[6]S[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<3>,1|S<2>}	C[6](C[6,6]C[6,6a]C[6]S[6])(C[6]N[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]N[6]H)	108.7250	1.284	2	108.7250	1.649	2	108.7072	1.137	10	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6])(H)2	C[6](C[6,6]C[6]2S[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6])(H)2{1|N<3>,1|S<2>,2|C<4>}	C[6](C[6,6]C[6]2S[6])(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.7027	1.107	8	108.7027	1.226	8	108.7072	1.137	10	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[5,6])(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[5,6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{3|C<3>}	H(C[6]C[6]N[6]H)	107.7350	0.020	2	107.7350	0.000	2	109.4188	0.875	118	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[5,6])(H)2	C[6](C[6]N[5,6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[5,6])(H)2{1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]N[5,6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.2595	0.067	2	109.2595	0.005	2	109.4188	0.875	118	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[5,6])(H)2	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[5,6])(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|P<4>}	H(C[6]C[6]N[6]H)	108.9327	0.150	4	108.8989	0.022	7	109.4188	0.875	118	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[5,6])(H)2	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[5,6])(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{2|C<3>}	H(C[6]C[6]N[6]H)	108.7585	0.011	2	108.8989	0.022	7	109.4188	0.875	118	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[5,6])(H)2	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[5,6])(H)2{1|N<3>,1|S<2>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{2|C<3>}	H(C[6]C[6]N[6]H)	109.0440	0.000	1	108.8989	0.022	7	109.4188	0.875	118	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6,6])(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6,6])(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{2|C<3>}	H(C[6]C[6]N[6]H)	108.9410	0.154	8	109.6412	2.126	34	109.4188	0.875	118	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6,6])(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6,6])(H)2{1|N<3>,1|S<2>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{2|C<3>}	H(C[6]C[6]N[6]H)	111.9737	2.630	4	109.6412	2.126	34	109.4188	0.875	118	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6,6])(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6,6])(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.4717	1.045	22	109.6412	2.126	34	109.4188	0.875	118	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6])(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.3840	0.035	2	109.3840	0.001	2	109.4188	0.875	118	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3180	0.229	3	109.6420	0.618	7	109.4188	0.875	118	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6])(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8850	1.009	4	109.6420	0.618	7	109.4188	0.875	118	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6])(H)2	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{1|C<3>}	H(C[6]C[6]N[6]H)	108.8340	0.051	2	108.8340	0.003	2	109.4188	0.875	118	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6])(H)2	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6])(H)2{2|H<1>,2|S<2>}	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2{1|C<3>}	H(C[6]C[6]N[6]H)	108.0807	0.217	4	108.0807	0.047	4	109.4188	0.875	118	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6])(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6])(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]N[6]H)	109.9300	0.011	2	109.5205	0.337	26	109.4188	0.875	118	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6])(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.6691	0.660	14	109.5205	0.337	26	109.4188	0.875	118	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6])(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|C<3>,1|N<3>}	H(C[6]C[6]N[6]H)	108.8125	0.121	4	109.5205	0.337	26	109.4188	0.875	118	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6])(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6])(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]N[6]H)	109.6535	0.059	2	109.5205	0.337	26	109.4188	0.875	118	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6])(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6])(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[6]HH)2(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.4368	0.060	4	109.5205	0.337	26	109.4188	0.875	118	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]P[6,6])(H)2	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]P[6,6])(H)2{1|O<2>,2|H<1>,2|N<2>}	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{1|P<4>}	H(C[6]C[6]N[6]H)	109.5530	0.252	19	109.5530	0.063	19	109.4188	0.875	118	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]P[6,6])(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]P[6,6])(H)2{1|N<3>,2|H<1>,2|N<2>}	C[6](C[6]N[6]HH)2(H)2{1|C<4>,1|P<4>}	H(C[6]C[6]N[6]H)	109.3885	0.209	13	109.3885	0.044	13	109.4188	0.875	118	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6])(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6])(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.8355	0.224	4	108.8355	0.050	4	108.8355	0.050	4	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[3,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,3x6]HH)(O[6]C[6])(H)2	C[6](C[3,3x6]C[3,6,6]C[4,6,6]N[3,6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[3,3x6]HH)(O[6]C[6])(H)2{1|N<3>,1|O<1>,2|C<4>}	C[6](C[3,3x6]C[3,6,6]C[4,6,6]N[3,6])(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	109.7525	0.012	2	109.7525	0.000	2	109.7525	0.000	2	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,5,6]HH)(O[6]C[6])(H)2	C[6](C[3,5,6]C[5,6a]C[3,5]C[3,6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[3,5,6]HH)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>}	C[6](C[3,5,6]C[5,6a]C[3,5]C[3,6])(C[6]O[6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6]O[6]H)	109.0450	0.259	3	109.0450	0.067	3	109.0450	0.067	3	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(O[6]C[6])(H)2	C[6](C[3,6,6]C[3,6]N[3,6]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[3,6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[3,6,6]C[3,6]N[3,6]C[6])(C[6]O[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]H)	109.5535	0.016	2	109.5535	0.000	2	109.5535	0.000	2	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(O[6]C[4,6])(H)2	C[6](C[3,6]C[3,4,6]O[3]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[3,6]HH)(O[6]C[4,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,4,6]O[3]H)(C[6]O[6]HH)(H)2{2|C<4>}	H(C[6]C[6]O[6]H)	110.7880	4.087	2	110.7880	16.704	2	109.5642	1.160	20	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<3>}	H(C[6]C[6]O[6]H)	109.1705	0.005	2	109.1548	0.007	5	109.5642	1.160	20	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]HH)(H)2{1|C<3>,1|S<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.2095	0.037	2	109.1548	0.007	5	109.5642	1.160	20	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.0140	0.000	1	109.1548	0.007	5	109.5642	1.160	20	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2	C[6](C[3,6]C[3]C[6]O[3])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3236	0.088	5	109.3236	0.008	5	109.5642	1.160	20	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2	C[6](C[3,6]C[6]O[3]P[3])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<2>,1|P<4>,2|H<1>}	C[6](C[3,6]C[6]O[3]P[3])(C[6]O[6]HH)(H)2{1|W<6>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3200	0.146	4	109.3200	0.021	4	109.5642	1.160	20	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2	C[6](C[3,6]N[3,6]C[6a]C[3])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2{1|C<2>,1|C<3>,1|N<3>,2|C<4>}	C[6](C[3,6]N[3,6]C[6a]C[3])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	110.0090	0.136	4	110.0090	0.019	4	109.5642	1.160	20	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(O[6]C[6,6])(H)2	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[3x6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]O[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	108.7998	0.816	4	108.7998	0.665	4	108.7998	0.665	4	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(O[6]C[6])(H)2	C[6](C[4,6]C[4,6]C[4]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[4,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	108.3045	2.753	2	109.0173	3.203	4	109.0173	3.203	4	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(O[6]C[6])(H)2	C[6](C[4,6]C[4,6]C[4]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[4,6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]O[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]O[6]H)	109.7300	0.018	2	109.0173	3.203	4	109.0173	3.203	4	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(O[6]C[6])(H)2	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,5,6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]O[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]O[6]H)	109.4095	0.021	2	109.4095	0.000	2	109.6920	0.107	4	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(O[6]S[6])(H)2	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,5,6,6]HH)(O[6]S[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|O<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]O[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.9745	0.021	2	109.9745	0.000	2	109.6920	0.107	4	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(O[6]C[6])(H)2	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6,6]HH)(O[6]C[6])(H)2{2|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]O[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	110.3798	2.030	4	110.3798	4.122	4	109.8978	2.060	8	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(O[6]C[6])(H)2	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6,6]HH)(O[6]C[6])(H)2{1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]O[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	109.1970	0.033	2	109.1970	0.001	2	109.8978	2.060	8	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(O[6]C[6])(H)2	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]O[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.6345	0.005	2	109.6345	0.000	2	109.8978	2.060	8	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]BrH)(O[6]C[6])(H)2	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]O[6]HH)(Br)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]BrH)(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]O[6]HH)(Br)(H){1|C<3>,1|N<3>,2|C<4>}	H(C[6]C[6]O[6]H)	109.4520	1.114	2	109.4520	1.242	2	109.4520	1.242	2	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(H)2	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[6]O[6]H)	110.9400	0.781	2	110.9400	0.609	2	109.5227	0.713	71	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(H)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]H)	109.1925	0.067	2	109.1925	0.005	2	109.5227	0.713	71	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(H)2	C[6](C[5,6]O[5,6]C[5]C)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(H)2{1|C<2>,1|O<2>,3|C<4>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]O[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.5325	0.009	2	109.5325	0.000	2	109.5227	0.713	71	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6,6])(H)2	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[6,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]O[6]H)	109.4225	0.040	2	109.4140	0.001	4	109.5227	0.713	71	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6,6])(H)2	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[6,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	109.4055	0.009	2	109.4140	0.001	4	109.5227	0.713	71	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	C[6](C[5,6]C[3,5]C[5]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[3,5]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3423	0.066	4	109.3423	0.004	4	109.5227	0.713	71	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.8510	0.025	2	109.4915	0.050	11	109.5227	0.713	71	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	109.2946	0.042	5	109.4915	0.050	11	109.5227	0.713	71	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.6275	0.076	2	109.4915	0.050	11	109.5227	0.713	71	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.4885	0.029	2	109.4915	0.050	11	109.5227	0.713	71	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	108.9147	0.272	8	108.9147	0.074	8	109.5227	0.713	71	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]HH)(H)2{1|H<1>,1|S<4>,3|C<4>}	H(C[6]C[6]O[6]H)	109.3290	0.305	4	109.3290	0.093	4	109.5227	0.713	71	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]H)	109.4525	0.006	2	109.4525	0.000	2	109.5227	0.713	71	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	C[6](C[5,6]C[5,6]S[5]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]O[6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	109.1680	0.006	2	109.1680	0.000	2	109.5227	0.713	71	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.2640	0.000	1	109.5016	2.284	13	109.5227	0.713	71	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,4|C<3>}	H(C[6]C[6]O[6]H)	109.8649	1.845	8	109.5016	2.284	13	109.5227	0.713	71	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[6]C[6]O[6]H)	109.2470	0.017	2	109.5016	2.284	13	109.5227	0.713	71	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(H)2{1|N<2>,2|H<1>,4|C<3>}	H(C[6]C[6]O[6]H)	108.4220	0.013	2	109.5016	2.284	13	109.5227	0.713	71	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	C[6](C[5,6]C[5]2C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]O[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.5460	0.226	3	109.5460	0.051	3	109.5227	0.713	71	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]O[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	110.1372	1.777	4	110.1372	3.159	4	109.5227	0.713	71	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]S[6])(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]S[6])(H)2{1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]O[6]H)	109.8770	0.215	10	109.8770	0.046	10	109.5227	0.713	71	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]B[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]B[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{1|B<3>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.0875	0.033	2	109.0875	0.001	2	109.5274	0.627	89	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[3x6])(H)2	C[6](C[6,6]C[5x6]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[3x6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[5x6]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	112.0300	0.819	2	112.0300	0.670	2	109.5274	0.627	89	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[3x6])(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[3x6])(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.2000	0.004	2	109.2000	0.000	2	109.5274	0.627	89	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[5,6,6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[5,6,6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3860	0.013	2	109.3860	0.000	2	109.5274	0.627	89	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[5,6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[5,6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3440	0.018	3	109.3440	0.000	3	109.5274	0.627	89	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]O[6]HH)(H)2{1|Br<1>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.3865	0.006	2	109.3865	0.000	2	109.5274	0.627	89	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.2050	0.028	2	109.2050	0.001	2	109.5274	0.627	89	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	108.8220	0.000	1	108.8220	0.000	1	109.5274	0.627	89	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	C[6](C[6,6]C[6,6]2H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]2H)(C[6]O[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	109.6173	0.235	3	109.4092	0.109	5	109.5274	0.627	89	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	C[6](C[6,6]C[6,6]2H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]O[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]O[6]H)	109.0970	0.010	2	109.4092	0.109	5	109.5274	0.627	89	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]2)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]2)(C[6]O[6]HH)(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]O[6]H)	109.4540	0.041	2	109.4540	0.002	2	109.5274	0.627	89	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]O[6]H)	109.1218	0.318	4	109.6835	0.941	24	109.5274	0.627	89	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	110.1321	1.386	10	109.6835	0.941	24	109.5274	0.627	89	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4600	0.000	1	109.6835	0.941	24	109.5274	0.627	89	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.5341	0.132	7	109.6835	0.941	24	109.5274	0.627	89	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.1980	0.048	2	109.6835	0.941	24	109.5274	0.627	89	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	109.3035	0.036	2	109.3893	0.004	8	109.5274	0.627	89	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HH)(H)2{4|C<4>}	H(C[6]C[6]O[6]H)	109.4270	0.013	2	109.3893	0.004	8	109.5274	0.627	89	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	109.4133	0.033	4	109.3893	0.004	8	109.5274	0.627	89	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	109.3083	0.273	10	109.3083	0.074	10	109.5274	0.627	89	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	C[6](C[6,6]C[6,6a]C[6]2)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6a]C[6]2)(C[6]O[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3653	0.036	3	109.3180	0.005	5	109.5274	0.627	89	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	C[6](C[6,6]C[6,6a]C[6]2)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6a]C[6]2)(C[6]O[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.2470	0.023	2	109.3180	0.005	5	109.5274	0.627	89	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	C[6](C[6,6]C[6]2N[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]2N[6])(C[6]O[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3517	0.087	7	109.3517	0.008	7	109.5274	0.627	89	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	C[6](C[6,6]C[6]2O[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6]2O[6])(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3170	0.034	2	108.8868	0.251	4	109.5274	0.627	89	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	C[6](C[6,6]C[6]2O[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6]2O[6])(C[6]O[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	108.4565	0.105	2	108.8868	0.251	4	109.5274	0.627	89	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	C[6](C[6,6]C[6]3)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6]3)(C[6]O[6]HH)(H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.1810	0.058	4	109.1810	0.003	4	109.5274	0.627	89	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	110.6910	0.727	2	110.6910	0.528	2	109.5274	0.627	89	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]S[6])(H)2	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]S[6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]O[6]HH)(H)2{1|C<4>,1|S<3>,2|C<3>}	H(C[6]C[6]O[6]H)	111.1170	2.169	2	111.1170	4.706	2	109.5274	0.627	89	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(O[6]C[6])(H)2	C[6](C[6]C[6a]N[6]H)(C[6]O[6]HH)(Br)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]BrH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6a]N[6]H)(C[6]O[6]HH)(Br)(H){1|S<4>,3|C<3>}	H(C[6]C[6]O[6]H)	109.4141	0.116	8	109.4141	0.013	8	109.3190	0.034	24	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(O[6]C[6])(H)2	C[6](C[6]N[6]CH)(C[6]O[6]HH)(Br)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]BrH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]O[6]HH)(Br)(H){1|C<3>,1|S<4>}	H(C[6]C[6]O[6]H)	109.2653	0.228	12	109.2761	0.045	14	109.3190	0.034	24	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(O[6]C[6])(H)2	C[6](C[6]N[6]CH)(C[6]O[6]HH)(Br)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]BrH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]O[6]HH)(Br)(H){1|C<3>,1|S<4>}	H(C[6]C[6]O[6]H)	109.3405	0.039	2	109.2761	0.045	14	109.3190	0.034	24	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(O[6]O[6])(H)2	C[6](C[6]C[6]2C)(C[6]O[6]HH)(Br)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]BrH)(O[6]O[6])(H)2{3|C<4>}	C[6](C[6]C[6]2C)(C[6]O[6]HH)(Br)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]H)	109.2395	0.047	2	109.2395	0.002	2	109.3190	0.034	24	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)(O[6]C[6])(H)2	C[6](C[6]N[6]HH)(C[6]O[6]HH)(F)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]FF)(O[6]C[6])(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]O[6]HH)(F)2{1|C<3>,1|H<1>}	H(C[6]C[6]O[6]H)	111.5805	2.920	2	111.5805	8.524	2	111.5805	8.524	2	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]B[6,6])(H)2	C[6](C[6]N[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]B[6,6])(H)2{1|C<3>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]O[6]HH)(H)2{1|B<4>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]H)	109.2527	0.129	6	109.3152	0.025	8	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]B[6,6])(H)2	C[6](C[6]N[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]B[6,6])(H)2{1|N<3>,2|H<1>,2|O<2>}	C[6](C[6]N[6,6]HH)(C[6]O[6]HH)(H)2{1|B<4>,1|C<3>}	H(C[6]C[6]O[6]H)	109.5030	0.027	2	109.3152	0.025	8	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]B[6,6])(H)2	C[6](C[6]O[6]HH)2(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]B[6,6])(H)2{1|C<4>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)2(H)2{1|B<4>}	H(C[6]C[6]O[6]H)	109.6540	6.387	4	109.6540	40.790	4	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]B[6])(H)2	C[6](C[6]O[6]HH)2(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]B[6])(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)2(H)2{1|B<3>}	H(C[6]C[6]O[6]H)	109.2735	0.135	8	109.3505	0.031	11	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]B[6])(H)2	C[6](C[6]O[6]HH)2(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]B[6])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)2(H)2{1|B<3>}	H(C[6]C[6]O[6]H)	109.5560	0.060	3	109.3505	0.031	11	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[4,6])(H)2	C[6](C[6]C[4,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[4,6])(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	109.3680	0.006	2	109.3680	0.000	2	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[4,6])(H)2	C[6](C[6]C[4,6]HO)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[4,6])(H)2{1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]HO)(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>}	H(C[6]C[6]O[6]H)	110.1405	2.852	2	111.3189	9.234	10	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[4,6])(H)2	C[6](C[6]C[4,6]HO)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[4,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]HO)(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>}	H(C[6]C[6]O[6]H)	111.6135	3.196	8	111.3189	9.234	10	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	109.2635	0.005	2	109.5348	0.634	52	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{2|C<3>}	H(C[6]C[6]O[6]H)	109.0347	0.046	3	109.5348	0.634	52	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	109.2410	0.059	4	109.5348	0.634	52	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]H)	109.6647	0.031	4	109.5348	0.634	52	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	109.8918	0.550	6	109.5348	0.634	52	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]H)	109.7611	1.218	14	109.5348	0.634	52	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]O[6]H)	109.4869	0.772	12	109.5348	0.634	52	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]H)	109.3015	0.028	2	109.5348	0.634	52	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]H)	109.6545	0.011	2	109.5348	0.634	52	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	108.9323	0.683	3	109.5348	0.634	52	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	C[6](C[6]C[6]FeC)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|Fe<7>,1|O<2>,3|C<4>}	C[6](C[6]C[6]FeC)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>}	H(C[6]C[6]O[6]H)	109.3735	0.012	2	109.3735	0.000	2	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	110.1403	1.216	4	109.8985	0.917	15	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{2|Cl<1>,1|C<4>}	H(C[6]C[6]O[6]H)	109.2510	0.000	1	109.8985	0.917	15	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	109.4765	0.073	2	109.8985	0.917	15	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	110.2095	1.086	6	109.8985	0.917	15	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.2275	0.028	2	109.8985	0.917	15	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]O[6]H)	111.5733	2.374	4	110.5012	3.744	8	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|C<3>,1|C<6>,1|N<3>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]O[6]H)	109.5865	0.008	2	110.5012	3.744	8	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]O[6]H)	109.2720	0.035	2	110.5012	3.744	8	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	C[6](C[6]O[6]HH)2(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]O[6]HH)2(H)2{1|C<4>}	H(C[6]C[6]O[6]H)	109.7165	0.099	4	109.7165	0.010	4	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	C[6](C[6]C[5,6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]O[6]HH)(H)2{3|C<4>}	H(C[6]C[6]O[6]H)	109.3215	0.098	2	109.2707	0.007	4	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	C[6](C[6]C[5,6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]O[6]HH)(H)2{3|C<4>}	H(C[6]C[6]O[6]H)	109.2200	0.027	2	109.2707	0.007	4	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	C[6](C[6]C[6,6]CH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]CH)(C[6]O[6]HH)(H)2{2|C<3>}	H(C[6]C[6]O[6]H)	109.4183	0.124	4	109.4137	0.009	6	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	C[6](C[6]C[6,6]CH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	109.4045	0.025	2	109.4137	0.009	6	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]O[6]H)	109.3130	0.000	1	109.6686	1.271	63	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{2|C<3>}	H(C[6]C[6]O[6]H)	109.1675	0.013	2	109.6686	1.271	63	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]H)	109.3670	0.000	1	109.6686	1.271	63	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]O[6]H)	109.2345	0.037	2	109.6686	1.271	63	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	111.2160	1.844	2	109.6686	1.271	63	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	109.3523	0.109	27	109.6686	1.271	63	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	109.2295	0.363	4	109.6686	1.271	63	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	108.4030	0.772	2	109.6686	1.271	63	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	110.3810	1.158	4	109.6686	1.271	63	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|O<2>}	H(C[6]C[6]O[6]H)	109.5715	0.042	2	109.6686	1.271	63	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	109.1910	0.017	2	109.6686	1.271	63	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]O[6]H)	109.4560	0.047	2	109.6686	1.271	63	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]H)	109.1935	0.008	2	109.6686	1.271	63	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	109.3888	0.045	4	109.6686	1.271	63	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>}	H(C[6]C[6]O[6]H)	113.0190	1.752	4	109.6686	1.271	63	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{3|C<4>}	H(C[6]C[6]O[6]H)	109.4960	0.030	2	109.6686	1.271	63	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	C[6](C[6]C[6]FeC)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|Fe<7>,1|O<2>,3|C<4>}	C[6](C[6]C[6]FeC)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>}	H(C[6]C[6]O[6]H)	109.6710	0.025	2	109.6710	0.001	2	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.0060	0.038	2	109.1818	0.038	15	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.0220	0.000	1	109.1818	0.038	15	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3218	0.100	8	109.1818	0.038	15	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	108.8530	0.023	2	109.1818	0.038	15	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	109.2065	0.008	2	109.1818	0.038	15	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	C[6](C[6]N[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]O[6]H)	109.3640	0.007	2	109.3640	0.000	2	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2{1|C<4>}	H(C[6]C[6]O[6]H)	109.3765	0.302	2	109.3765	0.091	2	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	C[6](C[6]O[6]HH)2(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)2(H)2{1|C<4>}	H(C[6]C[6]O[6]H)	112.2666	5.626	16	111.8042	17.624	32	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	C[6](C[6]O[6]HH)2(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]HH)2(H)2{1|C<4>}	H(C[6]C[6]O[6]H)	110.7825	2.362	8	111.8042	17.624	32	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	C[6](C[6]O[6]HH)2(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|O<2>,2|H<1>,2|S<2>}	C[6](C[6]O[6]HH)2(H)2{1|C<4>}	H(C[6]C[6]O[6]H)	111.1317	1.254	4	111.8042	17.624	32	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	C[6](C[6]O[6]HH)2(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{2|H<1>,3|O<2>}	C[6](C[6]O[6]HH)2(H)2{1|C<4>}	H(C[6]C[6]O[6]H)	112.6705	1.934	4	111.8042	17.624	32	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[3,6]CH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[3,6]CH)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	108.6025	0.040	2	108.6025	0.002	2	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[3,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	108.9520	0.000	1	108.9520	0.000	1	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	109.1605	0.013	4	109.1605	0.000	4	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[5]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	109.0040	0.044	2	109.0040	0.002	2	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[5]O[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5]O[6]H)(C[6]O[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]H)	109.5832	0.030	4	109.5832	0.001	4	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]O[6]H)	109.0565	0.902	2	109.0565	0.813	2	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]2F)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|F<1>,1|H<1>,2|C<4>}	C[6](C[6]C[6]2F)(C[6]O[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	109.3208	0.070	4	109.3208	0.005	4	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]2H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]2H)(C[6]O[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.5320	0.178	8	109.3310	0.049	20	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]2H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]2H)(C[6]O[6]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.2960	0.000	1	109.3310	0.049	20	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]2H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.2193	0.069	4	109.3310	0.049	20	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]2H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.1700	0.155	7	109.3310	0.049	20	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]CC)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3475	0.043	4	109.3475	0.002	4	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]O[6]H)	109.2980	0.508	2	109.2865	1.428	23	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.2357	0.121	9	109.2865	1.428	23	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]H)	109.4805	3.204	4	109.2865	1.428	23	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]H)	109.2865	0.065	4	109.2865	1.428	23	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.2013	0.107	4	109.2865	1.428	23	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]CN)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]CN)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.2220	0.168	4	109.2220	0.028	4	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]CO)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.5865	0.013	2	109.8178	0.464	8	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]CO)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]H)	109.8948	0.788	6	109.8178	0.464	8	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]ClH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3130	0.024	2	109.3130	0.001	2	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<2>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]H)	109.1830	0.048	2	109.4212	0.333	209	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]O[6]H)	109.2175	0.019	2	109.4212	0.333	209	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{2|C<3>}	H(C[6]C[6]O[6]H)	109.4265	0.012	2	109.4212	0.333	209	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|S<2>}	H(C[6]C[6]O[6]H)	109.3645	0.009	2	109.4212	0.333	209	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|O<1>}	H(C[6]C[6]O[6]H)	109.6135	0.123	4	109.4212	0.333	209	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.2767	0.159	3	109.4212	0.333	209	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	110.9637	1.895	3	109.4212	0.333	209	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|Se<2>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]H)	109.2540	0.025	4	109.4212	0.333	209	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{2|C<3>}	H(C[6]C[6]O[6]H)	109.7005	0.039	2	109.4212	0.333	209	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{2|C<3>}	H(C[6]C[6]O[6]H)	108.9870	0.049	2	109.4212	0.333	209	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|N<3>,2|C<4>}	H(C[6]C[6]O[6]H)	109.2935	0.009	2	109.4212	0.333	209	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]O[6]H)	109.3040	0.025	6	109.4212	0.333	209	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]H)	109.4075	0.006	2	109.4212	0.333	209	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]H)	109.2975	0.030	2	109.4212	0.333	209	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4004	0.120	16	109.4212	0.333	209	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|Cl<1>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]H)	109.3030	0.016	2	109.4212	0.333	209	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]H)	109.9390	0.000	1	109.4212	0.333	209	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]O[6]H)	109.1555	0.197	10	109.4212	0.333	209	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.1335	0.012	2	109.4212	0.333	209	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4260	0.647	24	109.4212	0.333	209	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	109.2150	0.011	2	109.4212	0.333	209	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3024	0.145	7	109.4212	0.333	209	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]O[6]H)	109.5115	0.043	2	109.4212	0.333	209	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|Cl<1>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]H)	109.0735	0.016	2	109.4212	0.333	209	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.5460	0.106	4	109.4212	0.333	209	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|P<4>}	H(C[6]C[6]O[6]H)	109.5190	0.010	2	109.4212	0.333	209	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.0625	0.665	16	109.4212	0.333	209	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]O[6]H)	109.3115	0.015	2	109.4212	0.333	209	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4068	0.070	8	109.4212	0.333	209	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.1545	0.155	4	109.4212	0.333	209	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|Ru<6>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	108.8745	0.026	2	109.4212	0.333	209	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|Se<2>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]O[6]H)	109.6450	0.042	2	109.4212	0.333	209	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]O[6]H)	109.3555	0.019	2	109.4212	0.333	209	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|N<2>}	H(C[6]C[6]O[6]H)	109.3696	0.080	5	109.4212	0.333	209	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{2|C<3>}	H(C[6]C[6]O[6]H)	109.3865	0.039	2	109.4212	0.333	209	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]O[6]H)	109.5410	0.020	2	109.4212	0.333	209	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]H)	109.5350	0.014	3	109.4212	0.333	209	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]H)	109.5280	0.035	2	109.4212	0.333	209	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]H)	109.5559	0.423	17	109.4212	0.333	209	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|S<2>}	H(C[6]C[6]O[6]H)	109.4040	0.000	1	109.4212	0.333	209	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]O[6]H)	109.4345	0.129	2	109.4212	0.333	209	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3078	0.299	21	109.4212	0.333	209	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]H)	111.0893	1.386	6	109.4212	0.333	209	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HN)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3475	0.330	11	109.3788	0.102	19	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HN)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4219	0.323	8	109.3788	0.102	19	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HO)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.8272	0.863	6	109.7621	0.546	8	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HO)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	109.5670	0.040	2	109.7621	0.546	8	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]HS)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|S<4>,3|H<1>}	C[6](C[6]C[6]HS)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3245	0.018	2	109.3245	0.000	2	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6]N[5]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]O[6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[6]O[6]H)	109.5865	0.029	2	109.5865	0.001	2	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6a]C[6]C)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6]C)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4050	0.022	4	109.4050	0.000	4	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3487	0.235	4	109.7315	2.149	20	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]O[6]H)	109.3440	0.171	4	109.7315	2.149	20	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	110.4460	2.418	7	109.7315	2.149	20	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]O[6]H)	109.3476	0.049	5	109.7315	2.149	20	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6a]C[6]O)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.2125	0.114	4	109.2125	0.013	4	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6a]N[6]C)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|N<2>,2|C<4>}	C[6](C[6]C[6a]N[6]C)(C[6]O[6]HH)(H)2{3|C<3>}	H(C[6]C[6]O[6]H)	109.6653	0.047	3	109.5233	0.032	7	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6a]N[6]C)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6a]N[6]C)(C[6]O[6]HH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.4168	0.162	4	109.5233	0.032	7	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6a]N[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6a]N[6]H)(C[6]O[6]HH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.1565	0.715	2	109.1565	0.511	2	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]C[6a]O[6]C)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[6a]O[6]C)(C[6]O[6]HH)(H)2{3|C<3>}	H(C[6]C[6]O[6]H)	109.2565	0.005	2	109.2565	0.000	2	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]N[6]CH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]O[6]H)	109.5775	0.025	2	109.8088	0.032	6	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]N[6]CH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]O[6]HH)(H)2{1|C<3>,1|S<4>}	H(C[6]C[6]O[6]H)	109.9245	0.014	4	109.8088	0.032	6	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{1|C<3>}	H(C[6]C[6]O[6]H)	109.0670	0.079	2	109.6157	0.275	6	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]O[6]H)	110.1625	0.407	2	109.6157	0.275	6	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{2|C<4>}	H(C[6]C[6]O[6]H)	109.6175	0.032	2	109.6157	0.275	6	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2{1|C<4>}	H(C[6]C[6]O[6]H)	109.4555	0.049	2	109.6032	0.018	34	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2{1|C<4>}	H(C[6]C[6]O[6]H)	109.6125	0.133	32	109.6032	0.018	34	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(C[6]S[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|S<2>,3|H<1>}	C[6](C[6]O[6]HH)(C[6]S[6]HH)(H)2{1|C<4>}	H(C[6]C[6]O[6]H)	109.7460	0.013	2	109.7460	0.000	2	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)2(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]O[6]HH)2(H)2{1|C<4>}	H(C[6]C[6]O[6]H)	109.6197	0.129	57	109.6992	0.874	157	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)2(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]O[6]HH)2(H)2{1|C<4>}	H(C[6]C[6]O[6]H)	109.6286	0.095	68	109.6992	0.874	157	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)2(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)2(H)2{1|C<3>}	H(C[6]C[6]O[6]H)	109.5800	0.134	4	109.6992	0.874	157	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)2(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<2>,1|P<4>,3|H<1>}	C[6](C[6]O[6]HH)2(H)2{1|C<4>}	H(C[6]C[6]O[6]H)	111.9955	5.955	4	109.6992	0.874	157	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)2(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]HH)2(H)2{1|C<4>}	H(C[6]C[6]O[6]H)	109.3664	0.197	8	109.6992	0.874	157	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)2(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)2(H)2{1|C<4>}	H(C[6]C[6]O[6]H)	109.9041	0.562	16	109.6992	0.874	157	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]Ga[6])(H)2	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]Ga[6])(H)2{1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{1|Ga<4>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]H)	108.8855	0.086	4	108.8855	0.007	4	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]N[6])(H)2	C[6](C[6]C[5,6]CC)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]N[6])(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[5,6]CC)(C[6]O[6]HH)(H)2{1|N<3>,2|C<3>}	H(C[6]C[6]O[6]H)	109.8028	0.058	4	109.8028	0.003	4	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[5,6])(H)2	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]P[5,6])(H)2{1|O<1>,2|H<1>,2|N<3>}	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|P<4>}	H(C[6]C[6]O[6]H)	109.4955	0.016	2	109.4955	0.000	2	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2{1|N<3>,2|H<1>,2|N<2>}	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|P<4>}	H(C[6]C[6]O[6]H)	109.6980	0.141	2	109.4642	0.206	72	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2{1|N<3>,2|H<1>,2|N<2>}	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{1|H<1>,1|P<4>}	H(C[6]C[6]O[6]H)	109.3859	0.525	47	109.4642	0.206	72	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2{1|N<3>,2|H<1>,2|N<2>}	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{2|P<4>}	H(C[6]C[6]O[6]H)	109.5185	0.403	4	109.4642	0.206	72	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2{2|H<1>,3|N<2>}	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{1|P<4>}	H(C[6]C[6]O[6]H)	109.6218	0.181	19	109.4642	0.206	72	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2	C[6](C[6]O[6]HH)2(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2{1|O<2>,2|H<1>,2|N<2>}	C[6](C[6]O[6]HH)2(H)2{1|P<4>}	H(C[6]C[6]O[6]H)	109.6779	0.117	31	109.6452	0.030	33	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2	C[6](C[6]O[6]HH)2(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2{1|O<3>,2|H<1>,2|N<2>}	C[6](C[6]O[6]HH)2(H)2{2|P<4>}	H(C[6]C[6]O[6]H)	109.1380	0.017	2	109.6452	0.030	33	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6])(H)2	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]P[6])(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{1|H<1>,1|P<4>}	H(C[6]C[6]O[6]H)	109.7510	0.054	2	109.7048	0.004	5	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6])(H)2	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]P[6])(H)2{1|N<3>,2|H<1>,2|N<2>}	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|P<4>}	H(C[6]C[6]O[6]H)	109.7045	0.016	2	109.7048	0.004	5	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6])(H)2	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]P[6])(H)2{1|O<1>,2|H<1>,2|N<3>}	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{1|H<1>,1|P<4>}	H(C[6]C[6]O[6]H)	109.6130	0.000	1	109.7048	0.004	5	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6])(H)2	C[6](C[6]O[6]HH)2(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]P[6])(H)2{1|Se<2>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)2(H)2{1|P<4>}	H(C[6]C[6]O[6]H)	112.6030	3.559	4	110.0178	2.399	31	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6])(H)2	C[6](C[6]O[6]HH)2(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]P[6])(H)2{1|Se<2>,1|O<2>,1|S<1>,2|H<1>}	C[6](C[6]O[6]HH)2(H)2{1|P<4>}	H(C[6]C[6]O[6]H)	109.6349	0.355	27	110.0178	2.399	31	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]S[6])(H)2	C[6](C[6]C[6a]N[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]S[6])(H)2{1|C<3>,1|H<1>,1|N<3>,2|O<1>}	C[6](C[6]C[6a]N[6]H)(C[6]O[6]HH)(H)2{1|H<1>,1|S<4>,2|C<3>}	H(C[6]C[6]O[6]H)	109.7845	0.090	4	109.7845	0.008	4	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]S[6])(H)2	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]S[6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2{1|S<3>}	H(C[6]C[6]O[6]H)	109.5175	0.059	2	109.5175	0.003	2	109.6436	1.569	963	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|N<1>,3|C<4>}	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.1255	0.026	2	109.4898	0.540	65	109.4190	0.641	757	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|H<1>,3|C<4>}	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.5013	0.744	63	109.4898	0.540	65	109.4190	0.641	757	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3240	0.008	2	109.3205	0.512	225	109.4190	0.641	757	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3205	0.718	223	109.3205	0.512	225	109.4190	0.641	757	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]CN)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CN)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	108.8375	1.723	8	108.8375	2.967	8	109.4190	0.641	757	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]CO)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CO)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4954	0.047	5	109.5078	0.013	9	109.4190	0.641	757	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]CO)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CO)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.5233	0.179	4	109.5078	0.013	9	109.4190	0.641	757	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]CW)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|W<9>,2|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CW)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4389	0.079	8	109.4389	0.006	8	109.4190	0.641	757	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4672	0.836	442	109.4672	0.698	442	109.4190	0.641	757	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(S[6]C[6]OO)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|O<1>}	C[6](C[6]O[6]HH)(S[6]C[6]OO)(H)2{2|C<3>}	H(C[6]C[6]O[6]H)	109.4575	0.016	2	109.4575	0.000	2	108.5913	1.323	10	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(S[6]C[6]WW)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{1|C<4>,2|H<1>,2|W<6>}	C[6](C[6]O[6]HH)(S[6]C[6]WW)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	108.3748	1.197	8	108.3748	1.432	8	108.5913	1.323	10	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[4,4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[4,4,6]HH)(O[6]C[6])(H)2	C[6](N[4,4,6]C[3x4]2C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[4,4,6]HH)(O[6]C[6])(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](N[4,4,6]C[3x4]2C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|C<6>,1|H<2>,3|H<1>}	H(C[6]C[6]O[6]H)	109.0138	0.259	4	109.0138	0.067	4	109.0138	0.067	4	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[4,6]HH)(O[6]C[6])(H)2	C[6](N[4,6]C[4,6,6]B[4]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[4,6]HH)(O[6]C[6])(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](N[4,6]C[4,6,6]B[4]C[6])(C[6]O[6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]O[6]H)	109.2532	0.111	4	109.2532	0.012	4	109.2532	0.012	4	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(O[6]C[6])(H)2	C[6](N[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[5,6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[6]O[6]H)	109.5360	0.020	2	109.5360	0.000	2	109.4128	0.031	6	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(O[6]C[6])(H)2	C[6](N[5,6]C[5]C[6]N[5])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[5,6]HH)(O[6]C[6])(H)2{1|N<2>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5]C[6]N[5])(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3512	0.192	4	109.3512	0.037	4	109.4128	0.031	6	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(O[6]C[6,6])(H)2	C[6](N[6,6]C[6,6]C[6]C)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6,6]HH)(O[6]C[6,6])(H)2{1|N<3>,1|O<2>,3|C<4>}	C[6](N[6,6]C[6,6]C[6]C)(C[6]O[6]HH)(H)2{2|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.2175	0.231	11	109.2175	0.053	11	109.2385	0.056	22	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(O[6]C[6])(H)2	C[6](N[6,6]C[6]3)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6,6]HH)(O[6]C[6])(H)2{2|H<1>,3|C<4>}	C[6](N[6,6]C[6]3)(C[6]O[6]HH)(H)2{3|C<4>,6|H<1>}	H(C[6]C[6]O[6]H)	109.2595	0.253	11	109.2595	0.064	11	109.2385	0.056	22	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[3,6]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	C[6](N[6]C[3,6]C[6]H)(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	109.0652	2.490	4	109.2347	3.146	7	109.3552	0.221	372	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[3,6]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	C[6](N[6]C[3,6]C[6]H)(C[6]O[6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[6]O[6]H)	109.4607	0.032	3	109.2347	3.146	7	109.3552	0.221	372	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[3]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	C[6](N[6]C[3]C[6]H)(C[6]O[6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[6]O[6]H)	109.4758	0.103	6	109.4758	0.011	6	109.3552	0.221	372	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[5]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	C[6](N[6]C[5]C[6]H)(C[6]O[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.4073	0.031	4	109.3806	0.013	8	109.3552	0.221	372	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[5]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	C[6](N[6]C[5]C[6]H)(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	109.3540	0.166	4	109.3806	0.013	8	109.3552	0.221	372	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	C[6](N[6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.1967	0.054	3	109.1967	0.003	3	109.3552	0.221	372	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6]CdC)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Cd<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6]CdC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.2183	0.032	3	109.2569	0.013	19	109.3552	0.221	372	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6]CdC)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Cd<5>,2|C<4>,2|H<1>}	C[6](N[6]C[6]CdC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.2686	0.146	8	109.2569	0.013	19	109.3552	0.221	372	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6]CdC)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Cd<6>,2|C<4>,2|H<1>}	C[6](N[6]C[6]CdC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.2596	0.110	8	109.2569	0.013	19	109.3552	0.221	372	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6]CoC)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Co<4>,2|C<4>,2|H<1>}	C[6](N[6]C[6]CoC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4523	0.101	3	109.3675	0.034	11	109.3552	0.221	372	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6]CoC)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Co<6>,2|C<4>,2|H<1>}	C[6](N[6]C[6]CoC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3356	0.204	8	109.3675	0.034	11	109.3552	0.221	372	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6]CoH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Co<6>,1|C<4>,3|H<1>}	C[6](N[6]C[6]CoH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3023	0.082	4	109.3023	0.007	4	109.3552	0.221	372	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6]CuC)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Cu<4>,2|C<4>,2|H<1>}	C[6](N[6]C[6]CuC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3039	0.109	7	109.3723	0.053	26	109.3552	0.221	372	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6]CuC)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Cu<5>,2|C<4>,2|H<1>}	C[6](N[6]C[6]CuC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3975	0.260	19	109.3723	0.053	26	109.3552	0.221	372	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6]CuH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Cu<4>,1|C<4>,3|H<1>}	C[6](N[6]C[6]CuH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3782	0.099	4	109.3352	0.016	42	109.3552	0.221	372	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6]CuH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Cu<5>,1|C<4>,3|H<1>}	C[6](N[6]C[6]CuH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3307	0.128	38	109.3352	0.016	42	109.3552	0.221	372	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6]EuC)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Eu<13>,2|C<4>,2|H<1>}	C[6](N[6]C[6]EuC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3542	0.059	4	109.3542	0.003	4	109.3552	0.221	372	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6]FeC)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Fe<4>,2|C<4>,2|H<1>}	C[6](N[6]C[6]FeC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3409	0.071	7	109.6167	0.754	19	109.3552	0.221	372	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6]FeC)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Fe<5>,2|C<4>,2|H<1>}	C[6](N[6]C[6]FeC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.7776	1.075	12	109.6167	0.754	19	109.3552	0.221	372	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6]IrC)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Ir<6>,2|C<4>,2|H<1>}	C[6](N[6]C[6]IrC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3504	0.134	20	109.3504	0.018	20	109.3552	0.221	372	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6]IrH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Ir<8>,1|C<4>,3|H<1>}	C[6](N[6]C[6]IrH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3555	0.044	4	109.3555	0.002	4	109.3552	0.221	372	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6]MnC)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Mn<5>,2|C<4>,2|H<1>}	C[6](N[6]C[6]MnC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3327	0.016	3	109.2517	0.051	17	109.3552	0.221	372	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6]MnC)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Mn<6>,2|C<4>,2|H<1>}	C[6](N[6]C[6]MnC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3398	0.207	10	109.2517	0.051	17	109.3552	0.221	372	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6]MnC)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Mn<7>,2|C<4>,2|H<1>}	C[6](N[6]C[6]MnC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	108.9707	0.075	4	109.2517	0.051	17	109.3552	0.221	372	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6]NiC)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Ni<4>,2|C<4>,2|H<1>}	C[6](N[6]C[6]NiC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4524	0.170	29	109.2779	0.123	57	109.3552	0.221	372	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6]NiC)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Ni<5>,2|C<4>,2|H<1>}	C[6](N[6]C[6]NiC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3083	0.035	3	109.2779	0.123	57	109.3552	0.221	372	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6]NiC)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Ni<6>,2|C<4>,2|H<1>}	C[6](N[6]C[6]NiC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.0718	0.413	25	109.2779	0.123	57	109.3552	0.221	372	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6]PdC)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Pd<4>,2|C<4>,2|H<1>}	C[6](N[6]C[6]PdC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4301	0.165	19	109.4301	0.027	19	109.3552	0.221	372	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6]PdH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Pd<4>,1|C<4>,3|H<1>}	C[6](N[6]C[6]PdH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4110	0.095	4	109.4110	0.009	4	109.3552	0.221	372	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6]PtC)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Pt<4>,2|C<4>,2|H<1>}	C[6](N[6]C[6]PtC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.5113	0.039	3	109.5113	0.002	3	109.3552	0.221	372	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6]PtH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Pt<6>,1|C<4>,3|H<1>}	C[6](N[6]C[6]PtH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	108.9615	0.406	4	108.9615	0.165	4	109.3552	0.221	372	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6]RuC)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Ru<6>,2|C<4>,2|H<1>}	C[6](N[6]C[6]RuC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3137	0.172	38	109.3137	0.029	38	109.3552	0.221	372	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6]SiB)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Si<4>,1|B<4>,1|C<4>,2|H<1>}	C[6](N[6]C[6]SiB)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	110.6213	2.818	4	110.6213	7.940	4	109.3552	0.221	372	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6]TeC)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Te<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6]TeC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.6963	0.260	8	109.6963	0.068	8	109.3552	0.221	372	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6]ZnC)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Zn<4>,2|C<4>,2|H<1>}	C[6](N[6]C[6]ZnC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3083	0.088	7	109.3236	0.012	29	109.3552	0.221	372	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6]ZnC)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Zn<5>,2|C<4>,2|H<1>}	C[6](N[6]C[6]ZnC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3285	0.115	22	109.3236	0.012	29	109.3552	0.221	372	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6]ZnH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Zn<4>,1|C<4>,3|H<1>}	C[6](N[6]C[6]ZnH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	108.9920	0.309	6	109.2422	0.074	16	109.3552	0.221	372	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6]ZnH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Zn<5>,1|C<4>,3|H<1>}	C[6](N[6]C[6]ZnH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4077	0.082	4	109.2422	0.074	16	109.3552	0.221	372	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	C[6](N[6]C[6]ZnH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Zn<6>,1|C<4>,3|H<1>}	C[6](N[6]C[6]ZnH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3820	0.036	6	109.2422	0.074	16	109.3552	0.221	372	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[3,6])(H)2	C[6](S[6]C[3,6]OO)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]HH)(O[6]C[3,6])(H)2{2|O<1>,3|C<4>}	C[6](S[6]C[3,6]OO)(C[6]O[6]HH)(H)2{3|C<4>}	H(C[6]C[6]O[6]H)	109.7970	0.013	2	109.7970	0.000	2	109.2192	0.260	20	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[5,6])(H)2	C[6](S[6]C[5,6]OO)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]HH)(O[6]C[5,6])(H)2{1|H<1>,2|C<4>,2|O<1>}	C[6](S[6]C[5,6]OO)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	109.5795	0.022	2	109.5795	0.000	2	109.2192	0.260	20	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6,6])(H)2	C[6](S[6]C[6,6]OO)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]HH)(O[6]C[6,6])(H)2{1|H<1>,2|C<4>,2|O<1>}	C[6](S[6]C[6,6]OO)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	109.1792	0.078	4	109.1792	0.006	4	109.2192	0.260	20	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	C[6](S[6]C[6]Os2)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{1|Os<4>,1|Os<5>,1|C<4>,2|H<1>}	C[6](S[6]C[6]Os2)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	108.7950	0.316	4	109.0763	0.340	12	109.2192	0.260	20	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	C[6](S[6]C[6]Os2)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{2|Os<3>,1|C<4>,2|H<1>}	C[6](S[6]C[6]Os2)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.2169	0.651	8	109.0763	0.340	12	109.2192	0.260	20	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(S[6]C[5a,6])(H)2	C[6](C[5,6]C[5a,6]C[5]O[5])(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[5,6]HH)(S[6]C[5a,6])(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[6](C[5,6]C[5a,6]C[5]O[5])(C[6]S[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]S[6]H)	109.2400	0.024	2	109.2400	0.001	2	109.0867	0.030	10	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(S[6]C[6])(H)2	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[5,6]HH)(S[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]S[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]S[6]H)	108.9453	0.019	3	108.9453	0.000	3	109.0867	0.030	10	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(S[6]C[6])(H)2	C[6](C[5,6]C[5,6]O[5]O)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[5,6]HH)(S[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]S[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>}	H(C[6]C[6]S[6]H)	108.7730	0.000	1	108.7730	0.000	1	109.0867	0.030	10	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(S[6]C[6])(H)2	C[6](C[5,6]C[5,6]S[5]H)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[5,6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]S[6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]S[6]H)	109.1945	0.069	4	109.1945	0.005	4	109.0867	0.030	10	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(S[6]C[6,6a])(H)2	C[6](C[6,6]C[6,6a]N[5a,6]N[6])(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6,6]HH)(S[6]C[6,6a])(H)2{2|C<3>,2|N<3>}	C[6](C[6,6]C[6,6a]N[5a,6]N[6])(C[6]S[6]HH)(H)2{1|H<1>,1|N<2>,4|C<3>}	H(C[6]C[6]S[6]H)	109.6015	0.050	2	109.6015	0.003	2	109.2609	0.071	8	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(S[6]C[6])(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6,6]HH)(S[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]S[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]S[6]H)	109.0750	0.000	1	109.0750	0.000	1	109.2609	0.071	8	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(S[6]C[6])(H)2	C[6](C[6,6]C[6]N[6]2)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6,6]HH)(S[6]C[6])(H)2{1|C<4>,2|H<1>,2|N<3>}	C[6](C[6,6]C[6]N[6]2)(C[6]S[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]S[6]H)	108.9830	0.165	2	108.9830	0.027	2	109.2609	0.071	8	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(S[6]C[6])(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6,6]HH)(S[6]C[6])(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]S[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6]S[6]H)	109.2810	0.148	3	109.2810	0.022	3	109.2609	0.071	8	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[4,6])(H)2	C[6](C[6]N[4,6]HH)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[4,6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[4,6]HH)(C[6]S[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]S[6]H)	109.0345	0.005	2	109.0345	0.000	2	109.0715	4.627	612	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(H)2{2|C<3>}	H(C[6]C[6]S[6]H)	108.9930	0.007	2	108.9930	0.000	2	109.0715	4.627	612	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2	C[6](C[6]S[6]HH)2(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]S[6]HH)2(H)2{1|C<4>}	H(C[6]C[6]S[6]H)	108.6328	0.097	6	109.2383	3.080	40	109.0715	4.627	612	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2	C[6](C[6]S[6]HH)2(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2{1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[6](C[6]S[6]HH)2(H)2{1|C<4>}	H(C[6]C[6]S[6]H)	108.7347	0.013	3	109.2383	3.080	40	109.0715	4.627	612	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2	C[6](C[6]S[6]HH)2(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2{1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]S[6]HH)2(H)2{1|C<4>}	H(C[6]C[6]S[6]H)	108.6888	0.102	11	109.2383	3.080	40	109.0715	4.627	612	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2	C[6](C[6]S[6]HH)2(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2{1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]S[6]HH)2(H)2{1|C<4>}	H(C[6]C[6]S[6]H)	109.7977	2.378	20	109.2383	3.080	40	109.0715	4.627	612	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2	C[6](C[6]C[6,6]HO)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]S[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]S[6]H)	109.4490	0.095	2	109.4490	0.009	2	109.0715	4.627	612	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2	C[6](C[6]N[6,6]HH)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]S[6]HH)(H)2{2|C<3>}	H(C[6]C[6]S[6]H)	108.3415	0.015	2	108.9239	0.149	8	109.0715	4.627	612	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2	C[6](C[6]N[6,6]HH)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]S[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]S[6]H)	109.1180	0.168	6	108.9239	0.149	8	109.0715	4.627	612	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2	C[6](C[6]S[6]CH)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2{1|H<1>,1|S<3>,3|C<4>}	C[6](C[6]S[6]CH)(C[6]S[6]HH)(H)2{1|C<4>,1|O<1>}	H(C[6]C[6]S[6]H)	108.9585	0.088	6	108.9585	0.008	6	109.0715	4.627	612	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2	C[6](C[6]S[6]HH)2(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]S[6]HH)2(H)2{1|C<4>}	H(C[6]C[6]S[6]H)	108.6085	0.090	4	109.0329	0.564	74	109.0715	4.627	612	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2	C[6](C[6]S[6]HH)2(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2{1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]S[6]HH)2(H)2{1|C<4>}	H(C[6]C[6]S[6]H)	108.9445	0.634	64	109.0329	0.564	74	109.0715	4.627	612	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2	C[6](C[6]S[6]HH)2(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2{1|S<2>,2|H<1>,2|O<2>}	C[6](C[6]S[6]HH)2(H)2{1|C<4>}	H(C[6]C[6]S[6]H)	110.8540	0.666	4	109.0329	0.564	74	109.0715	4.627	612	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2	C[6](C[6]S[6]HH)2(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2{1|S<3>,2|C<4>,2|H<1>}	C[6](C[6]S[6]HH)2(H)2{1|C<4>,1|O<1>}	H(C[6]C[6]S[6]H)	109.0665	0.025	2	109.0329	0.564	74	109.0715	4.627	612	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[6]C[6]CO)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|O<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]S[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	109.1061	0.174	8	109.1061	0.030	8	109.0715	4.627	612	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]S[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]S[6]H)	109.1420	0.018	2	110.5267	2.559	4	109.0715	4.627	612	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]S[6]HH)(H)2{1|C<2>,1|C<3>}	H(C[6]C[6]S[6]H)	111.9115	0.073	2	110.5267	2.559	4	109.0715	4.627	612	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[6]C[6]HO)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]S[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	109.0392	0.061	4	108.9237	0.092	6	109.0715	4.627	612	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[6]C[6]HO)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]S[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]S[6]H)	108.6925	0.535	2	108.9237	0.092	6	109.0715	4.627	612	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[6]N[6]CO)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>}	C[6](C[6]N[6]CO)(C[6]S[6]HH)(H)2{1|C<3>}	H(C[6]C[6]S[6]H)	109.4805	0.011	2	109.4805	0.000	2	109.0715	4.627	612	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]S[6]H)	109.0735	0.016	2	109.3143	0.086	19	109.0715	4.627	612	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|N<2>,1|S<2>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2{1|C<3>}	H(C[6]C[6]S[6]H)	109.4133	0.076	4	109.3143	0.086	19	109.0715	4.627	612	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|N<3>,1|S<1>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]S[6]H)	109.5277	0.058	6	109.3143	0.086	19	109.0715	4.627	612	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|N<3>,1|S<1>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2{1|C<3>,1|N<3>}	H(C[6]C[6]S[6]H)	109.3420	0.000	1	109.3143	0.086	19	109.0715	4.627	612	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]S[6]H)	109.1107	0.408	6	109.3143	0.086	19	109.0715	4.627	612	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[6]O[6]HH)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]O[6]HH)(C[6]S[6]HH)(H)2{1|C<4>}	H(C[6]C[6]S[6]H)	111.4890	0.956	2	111.4890	0.914	2	109.0715	4.627	612	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]CH)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|H<1>,1|S<3>,3|C<4>}	C[6](C[6]S[6]CH)(C[6]S[6]HH)(H)2{1|C<4>,1|O<1>}	H(C[6]C[6]S[6]H)	109.0820	0.006	2	109.0820	0.000	2	109.0715	4.627	612	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)2(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<2>,1|S<3>,3|H<1>}	C[6](C[6]S[6]HH)2(H)2{1|C<4>,1|O<1>}	H(C[6]C[6]S[6]H)	110.8047	1.714	8	108.9775	5.939	427	109.0715	4.627	612	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)2(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]S[6]HH)2(H)2{1|C<4>}	H(C[6]C[6]S[6]H)	108.6930	0.193	54	108.9775	5.939	427	109.0715	4.627	612	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)2(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]S[6]HH)2(H)2{1|C<3>}	H(C[6]C[6]S[6]H)	109.2915	4.506	107	108.9775	5.939	427	109.0715	4.627	612	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)2(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|S<2>,3|H<1>}	C[6](C[6]S[6]HH)2(H)2{1|C<4>}	H(C[6]C[6]S[6]H)	109.0578	1.106	70	108.9775	5.939	427	109.0715	4.627	612	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)2(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|S<3>,2|H<1>}	C[6](C[6]S[6]HH)2(H)2{1|Pd<4>,1|C<3>}	H(C[6]C[6]S[6]H)	108.8268	0.113	4	108.9775	5.939	427	109.0715	4.627	612	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)2(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|S<3>,3|H<1>}	C[6](C[6]S[6]HH)2(H)2{1|C<4>,1|O<1>}	H(C[6]C[6]S[6]H)	110.5062	4.127	4	108.9775	5.939	427	109.0715	4.627	612	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)2(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]S[6]HH)2(H)2{1|C<4>}	H(C[6]C[6]S[6]H)	108.7493	0.943	56	108.9775	5.939	427	109.0715	4.627	612	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)2(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|N<3>,1|S<2>,2|H<1>}	C[6](C[6]S[6]HH)2(H)2{1|C<3>}	H(C[6]C[6]S[6]H)	108.3609	0.489	30	108.9775	5.939	427	109.0715	4.627	612	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)2(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|S<1>,1|S<2>,2|H<1>}	C[6](C[6]S[6]HH)2(H)2{1|C<3>}	H(C[6]C[6]S[6]H)	108.4705	0.348	8	108.9775	5.939	427	109.0715	4.627	612	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)2(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]S[6]HH)2(H)2{1|C<4>}	H(C[6]C[6]S[6]H)	108.9206	1.150	71	108.9775	5.939	427	109.0715	4.627	612	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)2(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|S<3>,2|C<4>,2|H<1>}	C[6](C[6]S[6]HH)2(H)2{1|C<4>,1|O<1>}	H(C[6]C[6]S[6]H)	108.9523	0.096	4	108.9775	5.939	427	109.0715	4.627	612	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)2(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|S<3>,4|H<1>}	C[6](C[6]S[6]HH)2(H)2{1|Rh<8>,1|C<4>}	H(C[6]C[6]S[6]H)	108.4860	0.335	4	108.9775	5.939	427	109.0715	4.627	612	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)2(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|Si<4>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]S[6]HH)2(H)2{1|C<4>}	H(C[6]C[6]S[6]H)	108.6156	0.143	7	108.9775	5.939	427	109.0715	4.627	612	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]P[6])(H)2	C[6](C[6]S[6]HH)2(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]P[6])(H)2{1|Se<2>,1|O<1>,1|S<2>,2|H<1>}	C[6](C[6]S[6]HH)2(H)2{1|P<4>}	H(C[6]C[6]S[6]H)	111.9938	3.165	4	111.8402	5.024	8	109.0715	4.627	612	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]P[6])(H)2	C[6](C[6]S[6]HH)2(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]P[6])(H)2{1|Se<2>,1|S<1>,1|S<2>,2|H<1>}	C[6](C[6]S[6]HH)2(H)2{1|P<4>}	H(C[6]C[6]S[6]H)	111.6867	1.282	4	111.8402	5.024	8	109.0715	4.627	612	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]N[6]HH)(S[6]C[6])(H)2{1|C<4>,4|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	109.1873	0.141	18	109.1873	0.020	18	109.1873	0.020	18	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)(S[6]C[6]WW)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|C<4>,2|H<1>,2|W<6>}	C[6](C[6]S[6]HH)(S[6]C[6]WW)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	108.4581	0.593	19	108.4581	0.352	19	108.4581	0.352	19	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(S[6]C[6])(H)2	C[6](N[6]C[6]CoH)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]N[6]HH)(S[6]C[6])(H)2{1|Co<6>,1|C<4>,3|H<1>}	C[6](N[6]C[6]CoH)(C[6]S[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	109.1010	0.011	2	109.1010	0.000	2	109.1858	0.014	6	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(S[6]C[6])(H)2	C[6](N[6]C[6]ZnC)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]N[6]HH)(S[6]C[6])(H)2{1|Zn<5>,2|C<4>,2|H<1>}	C[6](N[6]C[6]ZnC)(C[6]S[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	109.2283	0.124	4	109.2283	0.015	4	109.1858	0.014	6	109.4003	1.676	3213	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(N[6]C[6])(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HO)(N[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]N[6]H)	108.8560	1.223	2	108.8560	1.496	2	108.8560	1.496	2	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6])(H)2	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6]H)	109.6685	0.600	2	109.6685	0.360	2	109.6685	0.360	2	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(C)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(C)(H){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|O<2>}	H(C[6]C[6]O[6]C)	109.6560	0.000	1	109.6560	0.000	1	109.6560	0.000	1	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H)	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H)	H(C[6]C[6]O[6]F)	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]F)	108.6505	0.148	2	109.1585	0.836	4	109.3578	0.826	5	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H)	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H)	H(C[6]C[6]O[6]F)	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]F)	110.5190	0.000	1	109.1585	0.836	4	109.3578	0.826	5	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H)	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H)	H(C[6]C[6]O[6]F)	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]F)	108.8140	0.000	1	109.1585	0.836	4	109.3578	0.826	5	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H)	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OH)(H)	H(C[6]C[6]O[6]F)	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]F)	110.1550	0.000	1	110.1550	0.000	1	109.3578	0.826	5	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[3]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[3]O[6]H)(O[6]C[6])(H)2	C[6](C[3]C[3]N[3]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[3]O[6]H)(O[6]C[6])(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<4>}	C[6](C[3]C[3]N[3]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.7820	0.013	2	109.7820	0.000	2	109.7820	0.000	2	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[4,6]HO)(O[6]C[6])(H)2	C[6](C[4,6]C[4,6]N[4]C)(C[6]O[6]HH)(OH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[4,6]HO)(O[6]C[6])(H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[4,6]C[4,6]N[4]C)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]O[6]H)	109.0415	1.747	2	109.0415	3.053	2	109.0415	3.053	2	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(O[6]C[6,6])(H)2	C[6](C[5,6,6]C[5,3x6]C[5]C[6])(C[6]O[6]HH)(OC)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6,6]HO)(O[6]C[6,6])(H)2{1|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,3x6]C[5]C[6])(C[6]O[6]HH)(OC)(H){1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.4690	0.017	2	109.4690	0.000	2	109.6760	0.044	6	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(O[6]C[6])(H)2	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]O[6]HH)(OH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6,6]HO)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]O[6]HH)(OH)(H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	109.7795	0.176	4	109.7795	0.031	4	109.6760	0.044	6	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[5]O[6]H)(O[6]C[6])(H)2	C[6](C[5]C[5]N[5]H)(C[6]O[6]HH)(O[6]C[6])(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5]O[6]H)(O[6]C[6])(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<4>}	C[6](C[5]C[5]N[5]H)(C[6]O[6]HH)(O[6]C[6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]H)	109.7520	0.018	2	109.7520	0.000	2	109.7520	0.000	2	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(O[6]C[5,6,6])(H)2	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]O[6]HH)(OC)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HO)(O[6]C[5,6,6])(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]O[6]HH)(OC)(H){1|H<1>,1|O<2>,1|S<4>,2|C<4>}	H(C[6]C[6]O[6]H)	108.4170	0.081	4	108.4170	0.007	4	108.9312	0.151	12	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]O[6]HH)(OH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]O[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.2328	0.032	6	109.2328	0.001	6	108.9312	0.151	12	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]HH)(OC)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]HH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.0550	0.016	2	109.0550	0.000	2	108.9312	0.151	12	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(CC[6a]2O)(O[6]C[6])(H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]CH)(O[6]C[6])(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(CC[6a]2O)(O[6]C[6])(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	111.1965	1.887	2	111.1965	3.562	2	109.8461	1.008	12	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(CC[6a]CO)(O[6]C[6])(H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]CH)(O[6]C[6])(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(CC[6a]CO)(O[6]C[6])(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	110.3765	1.081	2	110.3765	1.169	2	109.8461	1.008	12	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(O[6]P[6])(H)2	C[6](C[6]O[6]HH)(CN[5a]HH)(O[6]C[6])(H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]CH)(O[6]P[6])(H)2{1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]O[6]HH)(CN[5a]HH)(O[6]C[6])(H){1|P<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3070	0.231	6	109.3070	0.053	6	109.8461	1.008	12	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(O[6]P[6])(H)2	C[6](C[6]O[6]HH)(CN[6a]HH)(O[6]C[6])(H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]CH)(O[6]P[6])(H)2{1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]O[6]HH)(CN[6a]HH)(O[6]C[6])(H){1|P<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.5825	0.043	2	109.5825	0.002	2	109.8461	1.008	12	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(H)2	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NC)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HN)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NC)(H){1|C<4>}	H(C[6]C[6]O[6]H)	109.4350	0.034	2	109.4350	0.001	2	109.4350	0.001	2	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[5,6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(OH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[5,6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(OH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	110.5173	1.055	4	110.5173	1.112	4	109.5901	0.713	190	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[5,6])(H)2	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[5,6])(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,2|O<2>}	H(C[6]C[6]O[6]H)	109.1460	0.021	2	109.1460	0.000	2	109.5901	0.713	190	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(H)2	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(OC)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]H)	108.9690	0.057	4	108.9690	0.003	4	109.5901	0.713	190	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(H)2	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(OH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]H)	109.4493	0.160	4	109.4493	0.026	4	109.5901	0.713	190	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(H)2	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	108.8090	0.021	2	108.8090	0.000	2	109.5901	0.713	190	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	C[6](C[6]C[5]C[6]H)(C[6]O[6]HH)(OH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]O[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.3395	0.070	2	109.3395	0.005	2	109.5901	0.713	190	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(OS)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(OS)(H){1|C<3>,1|C<4>}	H(C[6]C[6]O[6]H)	109.6125	0.006	2	109.3683	0.077	6	109.5901	0.713	190	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(OS)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(OS)(H){1|C<3>,1|C<4>}	H(C[6]C[6]O[6]H)	109.2463	0.261	4	109.3683	0.077	6	109.5901	0.713	190	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]H)	109.4220	0.079	2	109.9034	0.729	36	109.5901	0.713	190	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]H)	109.6593	0.188	3	109.9034	0.729	36	109.5901	0.713	190	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]H)	109.6385	0.239	11	109.9034	0.729	36	109.5901	0.713	190	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]H)	110.0276	0.916	16	109.9034	0.729	36	109.5901	0.713	190	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]H)	111.8045	0.135	2	109.9034	0.729	36	109.5901	0.713	190	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]H)	109.3140	1.636	2	109.9034	0.729	36	109.5901	0.713	190	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC[6])(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]H)	109.6923	0.129	4	109.6923	0.017	4	109.5901	0.713	190	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]H)	109.2870	0.027	2	109.3215	0.335	74	109.5901	0.713	190	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.0279	0.211	7	109.3215	0.335	74	109.5901	0.713	190	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<4>,1|N<3>,1|O<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]H)	109.6590	0.074	7	109.3215	0.335	74	109.5901	0.713	190	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]H)	109.7955	0.019	2	109.3215	0.335	74	109.5901	0.713	190	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]H)	109.5792	0.346	13	109.3215	0.335	74	109.5901	0.713	190	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){3|C<4>}	H(C[6]C[6]O[6]H)	109.5110	0.200	3	109.3215	0.335	74	109.5901	0.713	190	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]H)	109.0668	0.690	32	109.3215	0.335	74	109.5901	0.713	190	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4055	0.022	2	109.3215	0.335	74	109.5901	0.713	190	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|N<4>}	H(C[6]C[6]O[6]H)	110.4080	0.626	2	109.3215	0.335	74	109.5901	0.713	190	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]H)	109.4985	0.162	4	109.3215	0.335	74	109.5901	0.713	190	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	C[6](C[6]C[6]O[6]H)(C[6]O[6]HH)(OC)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]O[6]HH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]H)	109.2380	0.000	1	109.2380	0.000	1	109.5901	0.713	190	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	C[6](C[6]C[6]O[6]H)(C[6]O[6]HH)(OH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]O[6]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]H)	109.2920	0.030	2	109.2920	0.001	2	109.5901	0.713	190	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(OH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.2812	0.069	4	109.2812	0.005	4	109.5901	0.713	190	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	C[6](C[6]O[6]CC)(C[6]O[6]HH)(OC)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]O[6]CC)(C[6]O[6]HH)(OC)(H){1|C<3>}	H(C[6]C[6]O[6]H)	109.8490	1.578	8	109.8490	2.490	8	109.5901	0.713	190	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC)(H){1|C<4>}	H(C[6]C[6]O[6]H)	109.7990	0.014	2	109.5727	0.069	4	109.5901	0.713	190	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC)(H){1|C<4>}	H(C[6]C[6]O[6]H)	109.3465	0.043	2	109.5727	0.069	4	109.5901	0.713	190	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC[6])(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC[6])(H){1|C<4>}	H(C[6]C[6]O[6]H)	109.9250	0.000	1	109.9250	0.000	1	109.5901	0.713	190	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OH)(H){1|C<4>}	H(C[6]C[6]O[6]H)	109.5040	0.008	2	109.4050	0.013	4	109.5901	0.713	190	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OH)(H){1|C<4>}	H(C[6]C[6]O[6]H)	109.3060	0.010	2	109.4050	0.013	4	109.5901	0.713	190	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)2(OC)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]O[6]HH)2(OC)(H){1|C<4>}	H(C[6]C[6]O[6]H)	109.0680	0.528	4	109.0680	0.279	4	109.5901	0.713	190	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)2(OH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]O[6]HH)2(OH)(H){1|C<4>}	H(C[6]C[6]O[6]H)	109.5841	0.203	8	110.6507	1.661	16	109.5901	0.713	190	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)2(OH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)2(OH)(H){1|C<3>}	H(C[6]C[6]O[6]H)	111.7173	0.958	8	110.6507	1.661	16	109.5901	0.713	190	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]S[6])(H)2	C[6](C[6]N[6]CH)(C[6]O[6]HH)(OC)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]S[6])(H)2{1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[6](C[6]N[6]CH)(C[6]O[6]HH)(OC)(H){1|H<1>,1|S<4>}	H(C[6]C[6]O[6]H)	109.3980	0.124	4	109.3980	0.015	4	109.5901	0.713	190	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]Si[6])(H)2	C[6](C[6]C[3]O[6]H)(C[6]O[6]HH)(OC)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]Si[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[3]O[6]H)(C[6]O[6]HH)(OC)(H){1|Si<4>,1|C<4>,1|N<2>}	H(C[6]C[6]O[6]H)	109.1585	0.008	4	109.1585	0.000	4	109.5901	0.713	190	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:H-1:I-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)(I)	C[6](C[6]C[6]HO)(C[6]O[6]HI)(OC)(H)	H(C[6]C[6]O[6]I)	C[6](C[6]C[6]HO)(O[6]C[6])(H)(I){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HI)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]I)	107.0210	0.000	2	107.0210	0.000	2	107.0210	0.000	2	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(S[6]As[5,6])(H)2	C[6](C[5,6]O[5,6]C[5]H)(C[6]S[6]HH)(OH)(H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[5,6]HO)(S[6]As[5,6])(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<2>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]S[6]HH)(OH)(H){1|As<3>,1|S<2>,2|H<1>}	H(C[6]C[6]S[6]H)	113.3340	1.181	2	113.3340	1.394	2	110.3743	5.539	6	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(S[6]C[5,6])(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]S[6]HH)(OH)(H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[5,6]HO)(S[6]C[5,6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]S[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]S[6]H)	108.8945	0.082	4	108.8945	0.007	4	110.3743	5.539	6	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(S[6]C[5,6])(H)2	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(OH)(H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HO)(S[6]C[5,6])(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(OH)(H){1|C<3>,1|N<2>}	H(C[6]C[6]S[6]H)	108.7368	0.127	4	108.9006	0.048	8	109.0195	0.056	16	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(S[6]C[5,6])(H)2	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(OH)(H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HO)(S[6]C[5,6])(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(OH)(H){2|C<3>}	H(C[6]C[6]S[6]H)	109.0645	0.157	4	108.9006	0.048	8	109.0195	0.056	16	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(S[6]C[6])(H)2	C[6](C[6]C[6]CC)(C[6]S[6]HH)(OH)(H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HO)(S[6]C[6])(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]S[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]S[6]H)	109.1775	0.029	2	109.1775	0.001	2	109.0195	0.056	16	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(S[6]C[6])(H)2	C[6](C[6]C[6]HO)(C[6]S[6]HH)(OH)(H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HO)(S[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]S[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]S[6]H)	109.2525	0.158	4	109.2525	0.025	4	109.0195	0.056	16	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(S[6]C[6])(H)2	C[6](C[6]N[6]CC)(C[6]S[6]HH)(OH)(H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HO)(S[6]C[6])(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]N[6]CC)(C[6]S[6]HH)(OH)(H){1|C<4>,1|S<4>}	H(C[6]C[6]S[6]H)	108.8710	0.072	2	108.8710	0.005	2	109.0195	0.056	16	109.5252	0.819	262	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:2:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:N-2:O-2:	C[6]-4:	C[6](C[6]C[6]NO)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)2(NN)(OC)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]NO)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]HH)2(NN)(OC){1|C<4>}	H(C[6]C[6]O[6]H)	110.4723	1.933	4	110.4723	3.736	4	110.0546	0.835	16	109.8366	0.627	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:2:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:N-2:O-2:	C[6]-4:	C[6](C[6]C[6]NO)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)2(NO)(OC)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]NO)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]HH)2(NO)(OC){1|C<4>}	H(C[6]C[6]O[6]H)	110.0025	0.156	8	109.9154	0.035	12	110.0546	0.835	16	109.8366	0.627	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:2:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:N-2:O-2:	C[6]-4:	C[6](C[6]C[6]NO)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)2(NO)(OC)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]NO)(O[6]C[6])(H)2{1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)2(NO)(OC){1|C<4>}	H(C[6]C[6]O[6]H)	109.7413	0.099	4	109.9154	0.035	12	110.0546	0.835	16	109.8366	0.627	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:2:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6]C[6]OO)(O[6]P[6])(H)2	C[6](C[6]O[6]HH)2(OC)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]OO)(O[6]P[6])(H)2{1|O<1>,2|H<1>,2|O<2>}	C[6](C[6]O[6]HH)2(OC)2{1|P<4>}	H(C[6]C[6]O[6]H)	109.6615	0.098	2	109.4490	0.052	9	109.4490	0.052	9	109.8366	0.627	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:2:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6]C[6]OO)(O[6]P[6])(H)2	C[6](C[6]O[6]HH)2(OC)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]OO)(O[6]P[6])(H)2{1|O<2>,2|H<1>,2|O<1>}	C[6](C[6]O[6]HH)2(OC)2{1|P<4>}	H(C[6]C[6]O[6]H)	109.3883	0.219	7	109.4490	0.052	9	109.4490	0.052	9	109.8366	0.627	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:2:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-4:O[6]-2:C-3:	C[6]-4:	C[6](C[6]O[6]CC)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(CC[6a]HH)(O[6]C[6])(CHO)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]CC)(O[6]C[6])(H)2{1|O<2>,2|C<4>}	C[6](C[6]O[6]HH)(CC[6a]HH)(O[6]C[6])(CHO){1|O<2>,2|C<4>}	H(C[6]C[6]O[6]H)	109.0250	0.321	4	109.0250	0.103	4	109.0250	0.103	4	109.0250	0.103	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-2:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6])(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6])(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.8780	0.054	2	108.8780	0.003	2	108.8780	0.003	2	109.2569	0.774	71	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:3:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6])(H)2	C[6](C[6]N[6]HH)(C[6]O[6]CH)(COO)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]N[6]HH)(C[6]O[6]CH)(COO)(H){1|C<3>}	H(C[6]C[6]N[6]H)	108.9365	0.032	2	108.9365	0.001	2	108.9365	0.001	2	109.2569	0.774	71	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(O[6]C[5,6])(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]HH)(CCO)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]CH)(O[6]C[5,6])(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]HH)(CCO)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]O[6]H)	109.2190	0.098	5	109.2190	0.010	5	109.2190	0.010	5	109.2569	0.774	71	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(H)2	C[6](C[6,6]C[6,6a]2C[6])(C[6]O[6]HH)(CCH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(H)2{4|C<3>}	C[6](C[6,6]C[6,6a]2C[6])(C[6]O[6]HH)(CCH)(H){1|O<1>,5|C<3>}	H(C[6]C[6]O[6]H)	111.7120	0.173	2	111.7120	0.030	2	110.2089	1.172	8	109.2569	0.774	71	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(CCH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(CCH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.1665	0.021	2	109.8528	0.632	4	110.2089	1.172	8	109.2569	0.774	71	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(CCH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(CCH)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	110.5390	0.110	2	109.8528	0.632	4	110.2089	1.172	8	109.2569	0.774	71	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(CC[6]O)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]CH)(O[6]C[6])(H)2{1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(CC[6]O)(H){3|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.4180	0.006	2	109.4180	0.000	2	110.2089	1.172	8	109.2569	0.774	71	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCH)(H){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]H)	109.2615	0.337	2	109.2615	0.114	2	109.2703	0.022	8	109.2569	0.774	71	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCO)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCO)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3017	0.097	4	109.3017	0.009	4	109.2703	0.022	8	109.2569	0.774	71	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CCH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CCH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.2160	0.025	2	109.2160	0.001	2	109.2703	0.022	8	109.2569	0.774	71	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:N-3:Br-1:	C[6]-4:	C[6](C[6]C[6]BrN)(O[6]P[6,6])(H)2	C[6](C[6]O[6]HH)2(NOO)(Br)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]BrN)(O[6]P[6,6])(H)2{1|O<2>,2|H<1>,2|N<2>}	C[6](C[6]O[6]HH)2(NOO)(Br){1|P<4>}	H(C[6]C[6]O[6]H)	109.8060	0.066	4	109.8060	0.004	4	109.8060	0.004	4	109.2569	0.774	71	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]HH)(NOO)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HN)(O[6]C[6,6])(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]HH)(NOO)(H){4|C<3>}	H(C[6]C[6]O[6]H)	108.8462	0.540	6	108.8462	0.291	6	109.2617	0.263	30	109.2569	0.774	71	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(H)2	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(NCH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HN)(O[6]C[6,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]H)	109.2720	0.000	1	109.2720	0.000	1	109.2617	0.263	30	109.2569	0.774	71	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(H)2	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HN)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H){1|C<4>,2|C<3>}	H(C[6]C[6]O[6]H)	108.9660	0.115	6	108.8245	0.120	8	109.2617	0.263	30	109.2569	0.774	71	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(H)2	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HN)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H){1|C<4>,2|C<3>}	H(C[6]C[6]O[6]H)	108.4000	0.542	2	108.8245	0.120	8	109.2617	0.263	30	109.2569	0.774	71	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(H)2	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NCC)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HN)(O[6]C[6])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NCC)(H){1|C<4>}	H(C[6]C[6]O[6]H)	109.5500	0.013	2	109.5500	0.000	2	109.2617	0.263	30	109.2569	0.774	71	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(H)2	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NCH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HN)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NCH)(H){1|C<4>}	H(C[6]C[6]O[6]H)	109.7747	0.138	7	109.7747	0.019	7	109.2617	0.263	30	109.2569	0.774	71	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)2(NCH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HN)(O[6]C[6])(H)2{2|O<2>,3|H<1>}	C[6](C[6]O[6]HH)2(NCH)(H){1|C<4>}	H(C[6]C[6]O[6]H)	109.6265	0.126	4	109.6265	0.016	4	109.2617	0.263	30	109.2569	0.774	71	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]P[6])(H)2	C[6](C[6]C[6]CH)(C[6]O[6]HH)(NCH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HN)(O[6]P[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]O[6]HH)(NCH)(H){1|C<4>,1|H<1>,1|P<4>}	H(C[6]C[6]O[6]H)	109.4380	0.008	2	109.4380	0.000	2	109.2617	0.263	30	109.2569	0.774	71	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:3:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(S[6]C[6])(H)2	C[6](C[5]O[5]2H)(C[6]S[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[5]C[6]H)(S[6]C[6])(H)2{1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[6](C[5]O[5]2H)(C[6]S[6]HH)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	H(C[6]C[6]S[6]H)	109.2795	0.028	2	109.2795	0.001	2	109.2795	0.001	2	109.2569	0.774	71	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:3:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(S[6]C[6])(H)2	C[6](C[6]C[6]HN)(C[6]S[6]HH)(CN[5]O)(H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]CH)(S[6]C[6])(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]HN)(C[6]S[6]HH)(CN[5]O)(H){2|C<3>}	H(C[6]C[6]S[6]H)	105.5290	0.092	2	105.5290	0.008	2	105.5290	0.008	2	109.2569	0.774	71	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:3:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(S[6]C[6])(H)2	C[6](C[6]C[6,6a]N[6]H)(C[6]S[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]2H)(S[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6]C[6,6a]N[6]H)(C[6]S[6]HH)(C[6]C[6]O)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]S[6]H)	108.8645	0.005	2	108.8645	0.000	2	108.8645	0.000	2	109.2569	0.774	71	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:3:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(S[6]S[6])(H)2	C[6](C[6]C[6]HN)(C[6]S[6]HH)(NHS)(H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HN)(S[6]S[6])(H)2{1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HN)(C[6]S[6]HH)(NHS)(H){1|S<2>,2|H<1>}	H(C[6]C[6]S[6]H)	109.0395	0.052	4	109.0395	0.003	4	109.0395	0.003	4	109.2569	0.774	71	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:3:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)(N[6]C[6]HH)(COO)(H)	H(C[6]C[6]S[6]H)	C[6](C[6]N[6]CH)(S[6]C[6])(H)2{1|C<4>,4|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]S[6]H)	109.5540	0.823	2	109.5540	0.677	2	109.5540	0.677	2	109.2569	0.774	71	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:3:2:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-3:N-2:	C[6]-4:	C[6](C[6]C[6]CN)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)2(CNO)(NC)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CN)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]HH)2(CNO)(NC){1|C<4>}	H(C[6]C[6]O[6]H)	105.4848	4.929	4	105.4848	24.299	4	105.4848	24.299	4	107.8458	14.889	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:3:2:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(O[6]C[6])(H)2	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCO)(OH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CO)(O[6]C[6])(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCO)(OH){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.1520	0.000	1	109.1520	0.000	1	109.1520	0.000	1	107.8458	14.889	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:3:2:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:N-3:O-2:	C[6]-4:	C[6](C[6]C[6]NO)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)2(NNO)(OC)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]NO)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]HH)2(NNO)(OC){1|C<4>}	H(C[6]C[6]O[6]H)	109.8802	1.373	4	109.8802	1.884	4	109.8802	1.884	4	107.8458	14.889	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:3:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CCO)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CCO)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]H)	109.7400	0.000	1	109.7400	0.000	1	109.7400	0.000	1	109.8357	9.477	31	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:3:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(O[6]C[6])(H)2	C[6](C[6]O[6]CH)(C[6]O[6]HH)(COO)(NCH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CN)(O[6]C[6])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(COO)(NCH){1|C<4>}	H(C[6]C[6]O[6]H)	109.5785	0.302	2	109.5785	0.091	2	109.8389	9.803	30	109.8357	9.477	31	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:3:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)2(CNO)(NCH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CN)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)2(CNO)(NCH){1|C<4>}	H(C[6]C[6]O[6]H)	105.2765	2.995	4	109.6394	9.919	20	109.8389	9.803	30	109.8357	9.477	31	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:3:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)2(CNO)(NCH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CN)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]HH)2(CNO)(NCH){1|C<4>}	H(C[6]C[6]O[6]H)	110.7301	2.104	16	109.6394	9.919	20	109.8389	9.803	30	109.8357	9.477	31	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:3:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)2(COO)(NCH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CN)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]HH)2(COO)(NCH){1|C<4>}	H(C[6]C[6]O[6]H)	110.4027	3.631	8	110.4027	13.182	8	109.8389	9.803	30	109.8357	9.477	31	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-2:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HP)(C[6]C[6])(H)2	C[6](C[6]C[6]HH)2(PC[6]2Pt)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HP)(C[6]C[6])(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2Pt)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6040	0.024	2	109.6040	0.001	2	109.3777	0.073	4	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-2:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HP)(C[6]C[6])(H)2	C[6](C[6]C[6]HH)2(PC[6]2Rh)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HP)(C[6]C[6])(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2Rh)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1515	0.120	2	109.1515	0.014	2	109.3777	0.073	4	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6])(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	108.2050	0.011	2	108.2050	0.000	2	108.6562	0.272	4	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6])(H)2	C[6](C[6]C[6a]O[6]H)(C[6]N[6]HH)(CBrHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]N[6]HH)(CBrHH)(H){3|C<3>}	H(C[6]C[6]N[6]H)	109.1075	0.022	2	109.1075	0.000	2	108.6562	0.272	4	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[4x6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[4x6]CH)(O[6]Si[6])(H)2	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]O[6]HH)(CH3)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[4x6]CH)(O[6]Si[6])(H)2{1|C<3>,4|C<4>}	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]O[6]HH)(CH3)(H){1|Si<4>,1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	108.5210	0.045	2	108.6350	0.008	6	108.6350	0.008	6	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[4x6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[4x6]CH)(O[6]Si[6])(H)2	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]O[6]HH)(CH3)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[4x6]CH)(O[6]Si[6])(H)2{1|C<3>,4|C<4>}	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]O[6]HH)(CH3)(H){1|Si<4>,1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	108.6920	0.022	4	108.6350	0.008	6	108.6350	0.008	6	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(O[6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(CH3)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]CH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.3550	0.031	2	109.3550	0.001	2	109.5687	0.062	4	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(O[6]C[6])(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(CCHH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]CH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.7825	0.049	2	109.7825	0.002	2	109.5687	0.062	4	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HS)(O[6]C[5,6])(H)2	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]O[6]HH)(SC[6a]OO)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HS)(O[6]C[5,6])(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]O[6]HH)(SC[6a]OO)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]O[6]H)	109.5030	0.058	2	109.5030	0.003	2	109.5030	0.003	2	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(O[6]C[6])(H)2	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5]C[6]H)(O[6]C[6])(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6]O[6]H)	108.6040	0.017	2	108.9728	0.089	6	109.0905	0.111	8	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(O[6]C[6])(H)2	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5]C[6]H)(O[6]C[6])(H)2{4|C<4>,4|H<1>}	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6]O[6]H)	109.1573	0.112	4	108.9728	0.089	6	109.0905	0.111	8	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(O[6]C[6])(H)2	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6]HO)(C[6]O[6]HH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6]HO)(C[6]O[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]O[6]H)	109.4435	0.021	2	109.4435	0.000	2	109.0905	0.111	8	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[5]H)(O[6]C[6,6])(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[5]C[5,6]C[5]H)(C[6]O[6]HH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]C[5]H)(O[6]C[6,6])(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[5]C[5,6]C[5]H)(C[6]O[6]HH)(H){1|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6]O[6]H)	110.4855	0.016	2	110.4855	0.000	2	110.4855	0.000	2	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[3x6])(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HH)(CH3)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]CH)(O[6]C[3x6])(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HH)(CH3)(H){1|C<3>,1|O<1>,3|C<4>}	H(C[6]C[6]O[6]H)	108.7775	0.026	2	108.7775	0.001	2	109.4297	0.574	8	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]HH)(CC[6a]HH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]HH)(CC[6a]HH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	108.8980	0.017	2	108.8980	0.000	2	109.4297	0.574	8	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]S[6])(H)2	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]O[6]HH)(CH3)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]CH)(O[6]S[6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]O[6]HH)(CH3)(H){1|C<4>,1|S<3>,2|C<3>}	H(C[6]C[6]O[6]H)	110.0217	0.633	4	110.0217	0.401	4	109.4297	0.574	8	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6]H)(O[6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]N[5]H)(C[6]O[6]HH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|N<4>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]N[5]H)(C[6]O[6]HH)(H){3|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6]O[6]H)	108.4900	0.041	2	108.4900	0.002	2	108.4900	0.002	2	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:Br-1:	C[6]-4:	C[6](C[6]C[6]BrC)(O[6]P[6])(H)2	C[6](C[6]O[6]HH)2(CBrHH)(Br)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]BrC)(O[6]P[6])(H)2{1|O<1>,2|H<1>,2|O<2>}	C[6](C[6]O[6]HH)2(CBrHH)(Br){1|P<4>}	H(C[6]C[6]O[6]H)	109.2350	0.045	3	109.2350	0.002	3	109.2350	0.002	3	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[5,6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[5,6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H){1|C<4>,1|O<1>}	H(C[6]C[6]O[6]H)	109.3225	0.068	4	109.2002	0.020	48	109.2405	0.053	88	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[5,6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]H)	109.3860	0.013	2	109.2002	0.020	48	109.2405	0.053	88	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[5,6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H){1|C<4>,1|F<1>,1|H<1>}	H(C[6]C[6]O[6]H)	109.3390	0.072	2	109.2002	0.020	48	109.2405	0.053	88	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[5,6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.1717	0.135	40	109.2002	0.020	48	109.2405	0.053	88	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6,6])(H)2	C[6](C[6]C[6,6]CO)(C[6]O[6]HH)(CCHH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]CO)(C[6]O[6]HH)(CCHH)(H){1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	109.0375	0.009	2	109.0375	0.000	2	109.2405	0.053	88	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	C[6](C[6]C[5,6]CH)(C[6]O[6]HH)(CH3)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]O[6]HH)(CH3)(H){1|C<4>,2|C<3>}	H(C[6]C[6]O[6]H)	109.2410	0.021	2	109.2410	0.000	2	109.2405	0.053	88	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H){1|C<3>,1|H<1>}	H(C[6]C[6]O[6]H)	108.9295	0.030	2	108.8052	0.016	6	109.2405	0.053	88	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H){2|C<3>}	H(C[6]C[6]O[6]H)	108.8260	0.068	2	108.8052	0.016	6	109.2405	0.053	88	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]H)	108.6600	0.006	2	108.8052	0.016	6	109.2405	0.053	88	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CH3)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CH3)(H){1|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	108.7720	0.000	1	108.7720	0.000	1	109.2405	0.053	88	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	C[6](C[6]C[6]HS)(C[6]O[6]HH)(CCHN)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|S<4>}	C[6](C[6]C[6]HS)(C[6]O[6]HH)(CCHN)(H){1|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3023	0.114	4	109.3023	0.013	4	109.2405	0.053	88	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(CH3)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(CH3)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.2145	0.025	2	109.2145	0.001	2	109.2405	0.053	88	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(CHHO)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(CHHO)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.2455	0.016	2	109.2455	0.000	2	109.2405	0.053	88	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CCHS)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CCHS)(H){1|C<4>,1|S<4>}	H(C[6]C[6]O[6]H)	109.4625	0.025	2	109.4625	0.001	2	109.2405	0.053	88	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)2(CC[6a]3)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]O[6]HH)2(CC[6a]3)(H){1|C<4>}	H(C[6]C[6]O[6]H)	109.6730	0.064	4	109.6130	0.008	11	109.2405	0.053	88	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)2(CC[6a]3)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]HH)2(CC[6a]3)(H){1|C<4>}	H(C[6]C[6]O[6]H)	109.5787	0.087	7	109.6130	0.008	11	109.2405	0.053	88	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]N[6])(H)2	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCHH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]N[6])(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]H)	109.3250	0.016	2	109.3250	0.000	2	109.2405	0.053	88	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]N[6])(H)2	C[6](C[6]C[6]HN)(C[6]O[6]HH)(CCHH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]N[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|S<4>}	C[6](C[6]C[6]HN)(C[6]O[6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]H)	109.5870	0.010	2	109.5870	0.000	2	109.2405	0.053	88	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]P[6,6])(H)2	C[6](C[6]O[6]HH)2(CH3)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]P[6,6])(H)2{1|O<2>,2|H<1>,2|N<2>}	C[6](C[6]O[6]HH)2(CH3)(H){1|P<4>}	H(C[6]C[6]O[6]H)	109.1925	0.117	4	109.1925	0.014	4	109.2405	0.053	88	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]P[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(NH3)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HN)(O[6]P[6])(H)2{1|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(NH3)(H){1|F<1>,1|H<1>,1|P<4>}	H(C[6]C[6]O[6]H)	109.5285	0.019	4	109.5285	0.000	4	109.5285	0.000	4	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HP)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(PSeOO)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HP)(O[6]C[6])(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(PSeOO)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.2145	0.054	2	109.2145	0.003	2	109.3028	0.012	4	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HP)(O[6]C[6])(H)2	C[6](C[6]C[6]HO)(C[6]O[6]HH)(PC[6a]2O)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HP)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(PC[6a]2O)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]H)	109.3910	0.052	2	109.3910	0.003	2	109.3028	0.012	4	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]HH)(CH3)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]HH)(CH3)(H){1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	109.2345	0.049	2	109.2345	0.002	2	109.2345	0.002	2	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:S[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]S[6]CH)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(S[6]C[6]NO)(CH3)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]CH)(O[6]C[6])(H)2{1|H<1>,1|N<1>,1|O<1>,2|C<4>}	C[6](C[6]O[6]HH)(S[6]C[6]NO)(CH3)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	108.6345	0.009	2	108.6345	0.000	2	108.6345	0.000	2	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(S[6]C[6])(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]S[6]HH)(CC[6]HO)(H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[5,6]CH)(S[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]S[6]HH)(CC[6]HO)(H){1|H<1>,4|C<4>}	H(C[6]C[6]S[6]H)	107.2380	0.225	2	107.2380	0.051	2	107.5560	0.414	4	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(S[6]C[6])(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]S[6]HH)(CHHO)(H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[5,6]CH)(S[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]S[6]HH)(CHHO)(H){1|H<1>,4|C<4>}	H(C[6]C[6]S[6]H)	107.8740	0.887	2	107.8740	0.786	2	107.5560	0.414	4	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(S[6]C[6])(H)2	C[6](C[6]C[6]CH)(C[6]S[6]HH)(CCHH)(H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]CH)(S[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]S[6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]S[6]H)	109.1055	0.039	2	109.1055	0.002	2	109.2403	3.732	11	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(S[6]C[6])(H)2	C[6](C[6]C[6]HO)(C[6]S[6]HH)(CC[6]HO)(H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]CH)(S[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]S[6]HH)(CC[6]HO)(H){1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	107.8365	0.416	2	107.8365	0.173	2	109.2403	3.732	11	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)2(CC3)(H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]CH)(S[6]C[6])(H)2{1|C<3>,1|S<2>,3|H<1>}	C[6](C[6]S[6]HH)2(CC3)(H){1|C<4>}	H(C[6]C[6]S[6]H)	108.6127	0.115	3	108.6127	0.013	3	109.2403	3.732	11	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:1:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)2(CCHH)(H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]CH)(S[6]C[6])(H)2{1|C<3>,1|S<2>,3|H<1>}	C[6](C[6]S[6]HH)2(CCHH)(H){1|C<4>}	H(C[6]C[6]S[6]H)	110.4802	2.933	4	110.4802	8.604	4	109.2403	3.732	11	109.1844	0.447	158	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:2:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]CO)(O[6]C[5,6])(H)2	C[6](C[5,6]O[5,6]C[5]H)(C[6]O[6]HH)(CCHO)(OH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]CO)(O[6]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]O[6]HH)(CCHO)(OH){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]H)	109.3645	0.013	2	109.3645	0.000	2	109.3645	0.000	2	108.8890	0.142	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:2:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:	C[6](C[6]C[6]CN)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(NN)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CN)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(NN){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]H)	108.9235	0.009	2	108.9235	0.000	2	108.9235	0.000	2	108.8890	0.142	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:2:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(O[6]C[6])(H)2	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CH3)(OH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CO)(O[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CH3)(OH){1|O<2>,2|C<4>}	H(C[6]C[6]O[6]H)	108.5125	0.470	2	108.5125	0.221	2	108.6340	0.094	4	108.8890	0.142	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:2:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(O[6]C[6])(H)2	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CHHN)(OH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CO)(O[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CHHN)(OH){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]H)	108.7555	0.035	2	108.7555	0.001	2	108.6340	0.094	4	108.8890	0.142	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,5,6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[5,5,6]CC)(O[6]C[6])(H)2	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]O[6]HH)(CH3)(CCO)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,5,6]CC)(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]O[6]HH)(CH3)(CCO){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.9530	0.649	2	109.9530	0.421	2	109.9530	0.421	2	109.7148	1.026	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6,6])(H)2	C[6](C[6]O[6]HH)2(CH3)(CHH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]HH)2(CH3)(CHH){1|C<4>}	H(C[6]C[6]O[6]H)	110.6905	1.888	4	110.6905	3.563	4	109.8411	1.194	30	109.7148	1.026	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CCHH)(COO)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CCHH)(COO){1|Br<1>,1|C<3>,1|C<4>}	H(C[6]C[6]O[6]H)	108.7950	0.025	2	108.7950	0.001	2	109.8411	1.194	30	109.7148	1.026	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)(CCH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)(CCH){1|C<4>,2|C<3>}	H(C[6]C[6]O[6]H)	109.2355	0.033	2	109.2355	0.001	2	109.8411	1.194	30	109.7148	1.026	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)2(CH3)(COO)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]O[6]HH)2(CH3)(COO){1|C<4>}	H(C[6]C[6]O[6]H)	109.5497	0.019	3	109.9009	0.975	19	109.8411	1.194	30	109.7148	1.026	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)2(CH3)(COO)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]HH)2(CH3)(COO){1|C<4>}	H(C[6]C[6]O[6]H)	109.9668	1.068	16	109.9009	0.975	19	109.8411	1.194	30	109.7148	1.026	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C[6](C[6]O[6]HH)2(CHHS)(COO)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|O<2>,2|H<1>,2|O<1>}	C[6](C[6]O[6]HH)2(CHHS)(COO){1|P<4>}	H(C[6]C[6]O[6]H)	109.4310	0.081	3	109.4310	0.006	3	109.8411	1.194	30	109.7148	1.026	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(O[6]C[6])(H)2	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CC[6a]HH)(NCH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CN)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CC[6a]HH)(NCH){1|C<3>,1|H<1>}	H(C[6]C[6]O[6]H)	109.3275	0.012	2	109.3275	0.000	2	109.4623	0.041	6	109.7148	1.026	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)2(CHHO)(NCH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CN)(O[6]C[6])(H)2{1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]O[6]HH)2(CHHO)(NCH){1|C<4>}	H(C[6]C[6]O[6]H)	109.5298	0.223	4	109.5298	0.050	4	109.4623	0.041	6	109.7148	1.026	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:3:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:N-3:	C[6]-4:	C[6](C[6]C[6,6]CN)(S[6]C[6,6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]S[6]HH)(CH3)(NHS)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6,6]CN)(S[6]C[6,6])(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]S[6]HH)(CH3)(NHS){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]S[6]H)	108.3390	0.004	2	108.3390	0.000	2	108.3390	0.000	2	109.7148	1.026	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6,6])(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CCHH)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]C[6,6])(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CCHH)2{1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	108.2525	0.023	2	108.2525	0.001	2	108.2525	0.001	2	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[3,6]CC)(O[6]C[6])(H)2	C[6](C[3,6]C[3,3]N[3,6]H)(C[6]O[6]HH)(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[3,6]CC)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[3,6]C[3,3]N[3,6]H)(C[6]O[6]HH)(CH3)2{1|C<3>,1|C<4>,1|N<3>}	H(C[6]C[6]O[6]H)	109.3150	0.010	2	109.3150	0.000	2	109.3150	0.000	2	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]B[5,6])(H)2	C[6](C[6]O[6]HH)2(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]B[5,6])(H)2{1|C<3>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)2(CH3)2{1|B<4>}	H(C[6]C[6]O[6]H)	109.0523	0.138	4	109.0523	0.019	4	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]B[6,6])(H)2	C[6](C[6]O[6]HH)2(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]B[6,6])(H)2{2|H<1>,3|O<2>}	C[6](C[6]O[6]HH)2(CH3)2{1|B<4>}	H(C[6]C[6]O[6]H)	109.1210	0.000	1	109.1210	0.000	1	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]B[6])(H)2	C[6](C[6]O[6]HH)2(CCHH)(CHHO)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]B[6])(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)2(CCHH)(CHHO){1|B<3>}	H(C[6]C[6]O[6]H)	109.0773	0.186	15	109.0773	0.035	15	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]B[6])(H)2	C[6](C[6]O[6]HH)2(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]B[6])(H)2{1|B<3>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)2(CH3)2{1|B<3>}	H(C[6]C[6]O[6]H)	109.3001	0.072	10	109.2107	0.234	55	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]B[6])(H)2	C[6](C[6]O[6]HH)2(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]B[6])(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)2(CH3)2{1|B<3>}	H(C[6]C[6]O[6]H)	109.4931	0.845	15	109.2107	0.234	55	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]B[6])(H)2	C[6](C[6]O[6]HH)2(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]B[6])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)2(CH3)2{1|B<3>}	H(C[6]C[6]O[6]H)	109.0090	0.141	14	109.2107	0.234	55	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]B[6])(H)2	C[6](C[6]O[6]HH)2(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]B[6])(H)2{1|Cu<2>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)2(CH3)2{1|B<3>}	H(C[6]C[6]O[6]H)	109.1293	0.098	7	109.2107	0.234	55	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]B[6])(H)2	C[6](C[6]O[6]HH)2(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]B[6])(H)2{1|Pt<4>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)2(CH3)2{1|B<3>}	H(C[6]C[6]O[6]H)	109.0178	0.067	9	109.2107	0.234	55	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[3,6])(H)2	C[6](C[6]O[6]HH)2(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[3,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]HH)2(CH3)2{1|C<4>}	H(C[6]C[6]O[6]H)	109.4132	0.084	6	109.4132	0.007	6	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[5,6])(H)2	C[6](C[6]O[6]HH)2(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[5,6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)2(CH3)2{1|C<4>}	H(C[6]C[6]O[6]H)	109.6942	1.193	26	110.0595	1.587	50	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[5,6])(H)2	C[6](C[6]O[6]HH)2(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]HH)2(CH3)2{1|C<4>}	H(C[6]C[6]O[6]H)	110.4552	1.233	24	110.0595	1.587	50	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6,6])(H)2	C[6](C[6]O[6]HH)2(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)2(CH3)2{1|C<4>}	H(C[6]C[6]O[6]H)	109.2837	0.199	7	109.4565	0.800	25	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6,6])(H)2	C[6](C[6]O[6]HH)2(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]HH)2(CH3)2{1|C<4>}	H(C[6]C[6]O[6]H)	109.5237	1.048	18	109.4565	0.800	25	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6,6])(H)2	C[6](C[6]O[6]HH)2(CHHO)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]HH)2(CHHO)2{1|C<4>}	H(C[6]C[6]O[6]H)	109.3247	0.036	4	109.3247	0.001	4	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C[6](C[6]C[5a]N[6]H)(C[6]O[6]HH)(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5a]N[6]H)(C[6]O[6]HH)(CH3)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>}	H(C[6]C[6]O[6]H)	109.0065	0.041	4	109.0065	0.002	4	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C[6](C[6]C[5a]O[6]H)(C[6]O[6]HH)(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5a]O[6]H)(C[6]O[6]HH)(CH3)2{1|C<4>,1|N<2>,1|O<2>}	H(C[6]C[6]O[6]H)	109.2815	0.018	2	109.2815	0.000	2	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CCHH)(CHHO)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CCHH)(CHHO){1|C<3>,1|C<4>}	H(C[6]C[6]O[6]H)	108.4155	0.015	2	108.4155	0.000	2	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CH3)2{1|C<3>,1|H<1>}	H(C[6]C[6]O[6]H)	109.0155	0.093	4	109.0155	0.009	4	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C[6](C[6]N[6]HH)(C[6]O[6]HH)(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]O[6]HH)(CH3)2{2|C<3>}	H(C[6]C[6]O[6]H)	109.3565	0.021	4	109.3565	0.000	4	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CH3)2{1|C<4>}	H(C[6]C[6]O[6]H)	109.1367	0.073	3	109.1367	0.005	3	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C[6](C[6]O[6]FeH)(C[6]O[6]HH)(CSeHH)(CH3)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|Fe<5>,1|H<1>,1|O<3>,2|C<4>}	C[6](C[6]O[6]FeH)(C[6]O[6]HH)(CSeHH)(CH3){1|Fe<5>,1|C<4>}	H(C[6]C[6]O[6]H)	110.4175	1.480	2	110.4175	2.190	2	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)2(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)2(CH3)2{1|C<4>}	H(C[6]C[6]O[6]H)	109.3749	0.118	47	109.4342	0.615	96	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)2(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]O[6]HH)2(CH3)2{1|C<4>}	H(C[6]C[6]O[6]H)	109.3417	0.094	26	109.4342	0.615	96	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)2(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]HH)2(CH3)2{1|C<4>}	H(C[6]C[6]O[6]H)	109.6598	1.595	23	109.4342	0.615	96	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)2(CHHO)(CH3)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)2(CHHO)(CH3){1|C<4>}	H(C[6]C[6]O[6]H)	109.4730	0.154	4	109.4730	0.024	4	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)2(CHHO)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]O[6]HH)2(CHHO)2{1|C<4>}	H(C[6]C[6]O[6]H)	109.4398	0.101	4	109.4040	0.013	17	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)2(CHHO)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]O[6]HH)2(CHHO)2{1|C<4>}	H(C[6]C[6]O[6]H)	109.3930	0.120	13	109.4040	0.013	17	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)2(CHHS)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]HH)2(CHHS)2{1|C<4>}	H(C[6]C[6]O[6]H)	110.1190	0.854	12	110.1190	0.729	12	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)2(CSeHH)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]HH)2(CSeHH)2{1|C<4>}	H(C[6]C[6]O[6]H)	110.4288	2.218	4	110.4288	4.920	4	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[5,6])(H)2	C[6](C[6]O[6]HH)2(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[5,6])(H)2{1|N<3>,2|H<1>,3|O<2>}	C[6](C[6]O[6]HH)2(CH3)2{1|P<5>}	H(C[6]C[6]O[6]H)	109.1843	0.191	4	109.1843	0.036	4	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6,6])(H)2	C[6](C[6]O[6]HH)2(CCHH)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6,6])(H)2{1|O<2>,2|H<1>,2|N<2>}	C[6](C[6]O[6]HH)2(CCHH)2{1|P<4>}	H(C[6]C[6]O[6]H)	109.2550	0.131	4	109.2550	0.017	4	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6,6])(H)2	C[6](C[6]O[6]HH)2(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6,6])(H)2{1|O<2>,2|H<1>,2|N<2>}	C[6](C[6]O[6]HH)2(CH3)2{1|P<4>}	H(C[6]C[6]O[6]H)	109.3432	0.029	6	109.3432	0.001	6	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6,6])(H)2	C[6](C[6]O[6]HH)2(CHHO)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6,6])(H)2{1|O<2>,2|H<1>,2|N<2>}	C[6](C[6]O[6]HH)2(CHHO)2{1|P<4>}	H(C[6]C[6]O[6]H)	109.3003	0.324	6	109.3003	0.105	6	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2{1|P<4>,2|C<3>}	H(C[6]C[6]O[6]H)	108.8263	0.186	3	109.1166	0.147	27	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2{1|P<4>,2|C<3>}	H(C[6]C[6]O[6]H)	109.0226	0.125	18	109.1166	0.147	27	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<1>}	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2{1|P<4>,2|C<3>}	H(C[6]C[6]O[6]H)	109.1305	0.070	2	109.1166	0.147	27	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|H<1>,1|O<1>,2|O<2>}	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2{1|P<4>,2|C<3>}	H(C[6]C[6]O[6]H)	109.1490	0.024	2	109.1166	0.147	27	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2{1|P<4>,2|C<3>}	H(C[6]C[6]O[6]H)	110.3520	0.037	2	109.1166	0.147	27	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CH3)2{1|P<4>}	H(C[6]C[6]O[6]H)	109.0520	0.010	2	109.0927	0.005	3	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<1>,1|S<2>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CH3)2{1|P<4>}	H(C[6]C[6]O[6]H)	109.1740	0.000	1	109.0927	0.005	3	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C[6](C[6]O[6]HH)2(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)2(CH3)2{1|P<4>}	H(C[6]C[6]O[6]H)	109.2188	0.209	126	109.2649	0.146	486	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C[6](C[6]O[6]HH)2(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)2(CH3)2{1|P<4>}	H(C[6]C[6]O[6]H)	109.2104	0.187	133	109.2649	0.146	486	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C[6](C[6]O[6]HH)2(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Dy<13>,1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]O[6]HH)2(CH3)2{1|P<5>}	H(C[6]C[6]O[6]H)	109.2412	0.209	17	109.2649	0.146	486	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C[6](C[6]O[6]HH)2(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Er<13>,1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]O[6]HH)2(CH3)2{1|P<5>}	H(C[6]C[6]O[6]H)	109.2251	0.359	20	109.2649	0.146	486	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C[6](C[6]O[6]HH)2(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Gd<13>,1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]O[6]HH)2(CH3)2{1|P<5>}	H(C[6]C[6]O[6]H)	109.2555	0.326	21	109.2649	0.146	486	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C[6](C[6]O[6]HH)2(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Ho<13>,1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]O[6]HH)2(CH3)2{1|P<5>}	H(C[6]C[6]O[6]H)	109.3204	0.223	21	109.2649	0.146	486	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C[6](C[6]O[6]HH)2(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|La<14>,1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]O[6]HH)2(CH3)2{1|P<5>}	H(C[6]C[6]O[6]H)	109.1686	0.171	19	109.2649	0.146	486	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C[6](C[6]O[6]HH)2(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|N<3>,1|O<2>,1|S<1>,2|H<1>}	C[6](C[6]O[6]HH)2(CH3)2{1|P<4>}	H(C[6]C[6]O[6]H)	109.3141	0.167	10	109.2649	0.146	486	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C[6](C[6]O[6]HH)2(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Nd<14>,1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]O[6]HH)2(CH3)2{1|P<5>}	H(C[6]C[6]O[6]H)	109.1641	0.201	20	109.2649	0.146	486	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C[6](C[6]O[6]HH)2(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|O<1>,2|H<1>,2|O<2>}	C[6](C[6]O[6]HH)2(CH3)2{1|P<4>}	H(C[6]C[6]O[6]H)	109.8284	1.189	28	109.2649	0.146	486	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C[6](C[6]O[6]HH)2(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Pr<14>,1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]O[6]HH)2(CH3)2{1|P<5>}	H(C[6]C[6]O[6]H)	109.1940	0.188	21	109.2649	0.146	486	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C[6](C[6]O[6]HH)2(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|S<1>,2|H<1>,2|O<2>}	C[6](C[6]O[6]HH)2(CH3)2{1|P<4>}	H(C[6]C[6]O[6]H)	109.4020	0.652	4	109.2649	0.146	486	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C[6](C[6]O[6]HH)2(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Se<1>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)2(CH3)2{1|P<4>}	H(C[6]C[6]O[6]H)	109.4230	0.116	4	109.2649	0.146	486	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C[6](C[6]O[6]HH)2(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Se<1>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)2(CH3)2{1|P<4>}	H(C[6]C[6]O[6]H)	109.4282	0.190	4	109.2649	0.146	486	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C[6](C[6]O[6]HH)2(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Se<1>,2|H<1>,2|O<2>}	C[6](C[6]O[6]HH)2(CH3)2{1|P<4>}	H(C[6]C[6]O[6]H)	109.4285	0.073	10	109.2649	0.146	486	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C[6](C[6]O[6]HH)2(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Se<2>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)2(CH3)2{1|P<4>}	H(C[6]C[6]O[6]H)	109.3627	0.139	3	109.2649	0.146	486	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C[6](C[6]O[6]HH)2(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Tb<13>,1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]O[6]HH)2(CH3)2{1|P<5>}	H(C[6]C[6]O[6]H)	109.2050	0.300	21	109.2649	0.146	486	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C[6](C[6]O[6]HH)2(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{2|H<1>,2|O<2>}	C[6](C[6]O[6]HH)2(CH3)2{1|P<3>}	H(C[6]C[6]O[6]H)	109.2267	0.106	4	109.2649	0.146	486	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]S[6])(H)2	C[6](C[6]O[6]HH)2(CC3)(CH3)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]S[6])(H)2{1|O<2>,2|H<1>,2|O<1>}	C[6](C[6]O[6]HH)2(CC3)(CH3){1|S<4>}	H(C[6]C[6]O[6]H)	113.9385	1.192	4	113.9385	1.422	4	109.3660	0.479	854	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]2C)(O[6]O[6])(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]2O)(C[6]O[6]HH)(CC[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]2C)(O[6]O[6])(H)2{1|Br<1>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]BrH)(C[6]C[6]2O)(C[6]O[6]HH)(CC[6]HH){1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6]O[6]H)	109.4225	0.013	2	109.4225	0.000	2	109.4225	0.000	2	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]N[6]CC)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]HH)(CH3)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CC)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]HH)(CH3)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	107.7935	0.332	2	107.7935	0.110	2	107.7935	0.110	2	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:1:1:	4:4:4:4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(S[6]C[6])(H)2	C[6](C[6]C[6a]C[6]H)(C[6]S[6]HH)(CCHH)(CH3)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]CC)(S[6]C[6])(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]S[6]HH)(CCHH)(CH3){1|H<1>,3|C<3>}	H(C[6]C[6]S[6]H)	108.6817	0.039	3	108.6817	0.002	3	108.6817	0.002	3	109.3574	0.483	865	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	3:3:4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(OH)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6]O[6]O)	111.8650	0.783	2	111.2470	1.453	3	111.2470	1.453	3	110.2856	2.461	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	3:3:4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(OH)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]O[6]O)	110.0110	0.000	1	111.2470	1.453	3	111.2470	1.453	3	110.2856	2.461	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	3:3:4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(OH)(H)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]O[6]HO)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(OH)(H){1|C<4>,4|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]O[6]HO)(H){2|H<1>,4|C<3>}	H(C[6]C[6]O[6]O)	108.8435	0.080	2	108.8435	0.006	2	108.8435	0.006	2	110.2856	2.461	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	3:3:4:2:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(O[6]C[6,6a])(OC)(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HO)(OC)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6a]C[6]O)(O[6]C[6,6a])(OC)(H){1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HO)(OC){2|H<1>,4|C<3>}	H(C[6]C[6]O[6]O)	109.1130	0.000	1	109.1130	0.000	1	109.1130	0.000	1	109.1130	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(OH)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HO)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]O[6]O)	109.0310	0.000	1	109.0310	0.000	1	109.0310	0.000	1	109.1973	0.631	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H)	C[6](C[6]C[6,6]N)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H){1|H<1>,1|N<2>,2|C<4>}	C[6](C[6]C[6,6]N)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	108.4990	0.000	1	108.4990	0.000	1	108.4990	0.000	1	109.1973	0.631	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(OH)(H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]N[6]HH)(O[6]C[6])(OH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]O[6]O)	110.0620	0.000	1	110.0620	0.000	1	110.0620	0.000	1	109.1973	0.631	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	3:4:2:3:	4:	C[6]-4:S[6]-2:C-2:H-1:	C[6]-3:C[6]-4:S[6]-2:C-3:	C[6]-4:	C[6](C[6]C[6]S[6]C)(S[6]C[6])(CC)(H)	C[6](C[6]C[6]O[6])(C[6]S[6]CH)(S[6]C[6])(COO)	H(C[6]C[6]S[6]C)	C[6](C[6]C[6]S[6]C)(S[6]C[6])(CC)(H){1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]O[6])(C[6]S[6]CH)(S[6]C[6])(COO){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]S[6]C)	107.4290	0.000	1	107.4290	0.000	1	107.4290	0.000	1	107.4290	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	3:4:3:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6a]C[6])(C[6]O[6]HO)(COO)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]O[6]HO)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]O[6]O)	108.6250	0.000	1	108.6250	0.000	1	108.6250	0.000	1	108.3805	0.120	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	3:4:3:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(OC)(H)	C[6](C[6a]C[6a]2)(C[6]O[6]HO)(N[6]C[6]C)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(OC)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HO)(N[6]C[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]O[6]O)	108.1360	0.000	1	108.1360	0.000	1	108.1360	0.000	1	108.3805	0.120	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	3:4:3:4:	4:	C[6]-4:S[6]-2:S-2:H-1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(S[6]C[6])(SC)(H)	C[6](C[6a]C[6a]2)(C[6]S[6]HS)(C[6]O[6]O)(CCHH)	H(C[6]C[6]S[6]S)	C[6](C[6]C[6a]C[6]C)(S[6]C[6])(SC)(H){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]S[6]HS)(C[6]O[6]O)(CCHH){2|H<1>,3|C<3>}	H(C[6]C[6]S[6]S)	106.8860	0.000	1	106.8860	0.000	1	106.8860	0.000	1	106.8860	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	3:4:4:2:	4:	C[6]-4:N[6]-2:O-2:H-1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(N[6]C[6])(OC)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]HO)(CH3)(OH)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]CO)(N[6]C[6])(OC)(H){3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HO)(CH3)(OH){1|H<1>,3|C<3>}	H(C[6]C[6]N[6]O)	108.4290	0.000	1	108.4290	0.000	1	108.4290	0.000	1	108.4290	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(OC)(H)	C[6](C[6]O[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]O[6]HH)(O[6]C[6])(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]O[6]HO)(O[6]C[6])(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]O)	109.1440	0.000	1	109.1440	0.000	1	109.1440	0.000	1	109.1440	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:2:2:1:	4:	C[6]-4:S[6]-2:S[6]-2:H-1:	C[6]-4:S[6]-2:S[6]-2:H-1:	C[6]-4:	C[6](C[6]S[6]2H)(S[6]C[6])(S[6]S[6])(H)	C[6](C[6]S[6]2H)(S[6]C[6])(S[6]S[6])(H)	H(C[6]C[6]S[6]2)	C[6](C[6]S[6]2H)(S[6]C[6])(S[6]S[6])(H){1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]S[6]2H)(S[6]C[6])(S[6]S[6])(H){1|H<1>,1|S<2>,2|C<3>}	H(C[6]C[6]S[6]2)	111.3710	0.000	1	111.3710	0.000	1	111.3710	0.000	1	111.3710	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:2:2:3:	4:	C[6]-4:S[6]-2:S[6]-2:H-1:	C[6]-4:S[6]-2:S[6]-2:C-3:	C[6]-4:	C[6](C[6]S[6]2C)(S[6]C[6])2(H)	C[6](C[6]S[6]2H)(S[6]C[6])2(CHO)	H(C[6]C[6]S[6]2)	C[6](C[6]S[6]2C)(S[6]C[6])2(H){3|C<4>,4|H<1>}	C[6](C[6]S[6]2H)(S[6]C[6])2(CHO){3|C<4>,4|H<1>}	H(C[6]C[6]S[6]2)	107.0950	0.339	2	107.0950	0.115	2	107.0950	0.115	2	107.0950	0.115	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CC)(H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CC)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	107.5655	0.479	2	107.5655	0.229	2	107.5655	0.229	2	107.5655	0.229	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:3:3:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	C[6](C[6]O[6]HO)(C[6]C[6]N)(NCH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|H<1>,1|N<2>,2|C<4>}	C[6](C[6]O[6]HO)(C[6]C[6]N)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	108.6020	0.000	1	108.6020	0.000	1	108.6020	0.000	1	108.6020	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:3:4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(OH)(H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]HO)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(OH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]HO)(H){1|Cl<1>,1|H<1>,4|C<3>}	H(C[6]C[6]O[6]O)	109.2570	0.000	1	109.2570	0.000	1	109.2570	0.000	1	109.2570	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:3:4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(OC)(H)	C[6](C[6]O[6]HO)(C[6]C[6]O)(CH3)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CC)(O[6]C[6])(OC)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]O[6]HO)(C[6]C[6]O)(CH3)2{1|C<3>,1|C<4>}	H(C[6]C[6]O[6]O)	109.1090	0.000	1	109.1090	0.000	1	109.1090	0.000	1	109.1090	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(CC)(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(CC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]O[6]CH)(H)2{1|O<2>,3|C<4>}	H(C[6]C[6]O[6]C)	106.9520	0.000	1	106.9520	0.000	1	106.9520	0.000	1	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(O[6]C[6])(CC)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(Br)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]BrH)(O[6]C[6])(CC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(Br)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	109.1110	0.000	1	109.1110	0.000	1	109.1110	0.000	1	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CN)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CN)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	112.1790	0.000	1	112.1790	0.000	1	112.1790	0.000	1	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(NC)(H)	C[6](C[6]C[6]HH)(C[6]O[6]HN)(H)2	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HH)(O[6]C[6])(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HN)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]N)	109.5400	0.000	1	109.5400	0.000	1	109.5400	0.000	1	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(O[6]C[6])(OC)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[3,6]HH)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]O[6]HO)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]O[6]O)	108.5150	0.379	2	108.5150	0.144	2	108.5150	0.144	2	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(O[6]C[6,6a])(OC)(H)	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[3x6]HH)(O[6]C[6,6a])(OC)(H){1|C<4>,3|C<3>}	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]O[6]HO)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]O[6]O)	113.6680	0.000	1	111.0550	7.884	4	111.0550	7.884	4	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(O[6]C[6,6a])(OC)(H)	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[3x6]HH)(O[6]C[6,6a])(OC)(H){1|C<4>,3|C<3>}	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]O[6]HO)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]O)	110.1840	2.697	3	111.0550	7.884	4	111.0550	7.884	4	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(O[6]C[6])(OC)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[5,6,6]HH)(O[6]C[6])(OC)(H){1|C<3>,4|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]O[6]HO)(H)2{1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6]O[6]O)	110.1140	0.000	1	110.1140	0.000	1	110.1140	0.000	1	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(OC)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[5,6]HH)(O[6]C[6])(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]O)	109.0440	0.000	1	109.0440	0.000	1	109.0440	0.000	1	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(OH)(H)	C[6](C[6,6]C[6,6]N[6]C)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(OH)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6]C[6,6]N[6]C)(C[6]O[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]O[6]O)	109.8950	0.119	2	109.8950	0.014	2	109.6803	0.481	6	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(OH)(H)	C[6](C[6,6]C[6,6]S[6]2)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(OH)(H){1|H<1>,2|C<4>,2|S<2>}	C[6](C[6,6]C[6,6]S[6]2)(C[6]O[6]HO)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]O[6]O)	109.4510	0.000	1	109.4510	0.000	1	109.6803	0.481	6	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(OC)(H)	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]O[6]HO)(H)2{1|C<4>,4|C<3>}	H(C[6]C[6]O[6]O)	110.2420	0.000	1	110.2420	0.000	1	109.6803	0.481	6	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(OC)(H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(OC)(H){4|C<3>}	C[6](C[6,6]C[6,6a]C[6]2)(C[6]O[6]HO)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]O[6]O)	108.3940	0.000	1	108.3940	0.000	1	109.6803	0.481	6	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(OH)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6]HH)(O[6]C[6])(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]O[6]HO)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]O[6]O)	110.2050	0.000	1	110.2050	0.000	1	109.6803	0.481	6	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]FF)(C[6]O[6]HO)(F)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]FF)(O[6]C[6])(OC)(H){1|H<1>,2|C<4>,2|F<1>}	C[6](C[6]C[6]FF)(C[6]O[6]HO)(F)2{1|C<4>,2|F<1>}	H(C[6]C[6]O[6]O)	111.5070	0.000	1	111.5070	0.000	1	110.4243	1.448	3	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)(O[6]C[6])(OH)(H)	C[6](C[6]C[6]FF)(C[6]O[6]HO)(F)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]FF)(O[6]C[6])(OH)(H){1|H<1>,2|C<4>,2|F<1>}	C[6](C[6]C[6]FF)(C[6]O[6]HO)(F)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	109.8830	1.066	2	109.8830	1.137	2	110.4243	1.448	3	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(O[6]C[6,6])(OH)(H)	C[6](C[6]C[6,6]FH)(C[6]O[6]HO)(F)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]FH)(O[6]C[6,6])(OH)(H){1|F<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]FH)(C[6]O[6]HO)(F)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	109.3910	0.369	2	109.3910	0.136	2	110.1454	0.710	8	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(O[6]C[6])(OC[6a])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(F)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]FH)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(F)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	111.0285	0.152	2	111.0285	0.023	2	110.1454	0.710	8	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(O[6]C[6])(OH)(H)	C[6](C[6]C[6]FH)(C[6]O[6]HO)(F)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]FH)(O[6]C[6])(OH)(H){1|F<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]O[6]HO)(F)(H){1|C<4>,1|F<1>,1|H<1>}	H(C[6]C[6]O[6]O)	110.0810	0.836	4	110.0810	0.700	4	110.1454	0.710	8	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[3x6])(OH)(H)	C[6](C[6]C[3x6]HH)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[3x6])(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]O[6]HO)(H)2{3|C<4>}	H(C[6]C[6]O[6]O)	108.5280	0.038	2	108.5280	0.001	2	109.3526	2.102	70	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(OC)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[5,6])(OC)(H){1|H<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]O[6]O)	108.5220	0.000	1	108.5220	0.000	1	109.3526	2.102	70	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(OC)(H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[5,6])(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HO)(H)2{1|C<4>,2|O<2>}	H(C[6]C[6]O[6]O)	108.3390	0.000	1	108.3390	0.000	1	109.3526	2.102	70	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(OC[6])(H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[5,6])(OC[6])(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	108.8328	0.163	6	108.8328	0.026	6	109.3526	2.102	70	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[5,6])(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	108.6990	0.000	1	108.6990	0.000	1	109.3526	2.102	70	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H)	C[6](C[6]C[6,6]CH)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]O[6]HO)(H)2{1|C<3>,1|C<4>,1|F<1>}	H(C[6]C[6]O[6]O)	110.9760	0.000	1	110.9760	0.000	1	109.3526	2.102	70	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]HO)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]O[6]O)	108.9850	0.000	1	108.9850	0.000	1	109.3526	2.102	70	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]O[6]O)	110.3200	0.000	1	110.5862	0.604	6	109.3526	2.102	70	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]O[6]O)	109.4810	0.000	1	110.5862	0.604	6	109.3526	2.102	70	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	110.9290	0.647	4	110.5862	0.604	6	109.3526	2.102	70	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC[6])(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	111.0790	0.264	2	111.0790	0.070	2	109.3526	2.102	70	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]2H)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]2H)(C[6]O[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]O)	113.1045	2.679	2	113.1045	7.178	2	109.3526	2.102	70	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]O[6]HO)(H)2{2|C<3>}	H(C[6]C[6]O[6]O)	108.6950	0.000	1	108.6950	0.000	1	109.3526	2.102	70	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]CN)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6]CN)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	108.0500	0.000	1	108.0500	0.000	1	109.3526	2.102	70	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]CO)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	107.7810	0.156	3	107.7810	0.024	3	109.3526	2.102	70	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]O)	109.2682	0.659	4	108.6749	2.144	8	109.3526	2.102	70	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]O)	109.8860	0.000	1	108.6749	2.144	8	109.3526	2.102	70	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]O)	107.4800	1.809	3	108.6749	2.144	8	109.3526	2.102	70	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	110.0295	0.149	2	109.1267	0.652	7	109.3526	2.102	70	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|N<4>}	H(C[6]C[6]O[6]O)	108.7656	0.634	5	109.1267	0.652	7	109.3526	2.102	70	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	110.0130	0.000	1	110.2000	0.030	3	109.3526	2.102	70	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	110.2300	0.000	1	110.2000	0.030	3	109.3526	2.102	70	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2{1|O<2>,2|C<4>}	H(C[6]C[6]O[6]O)	110.3570	0.000	1	110.2000	0.030	3	109.3526	2.102	70	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]O[6]O)	109.6605	0.013	2	109.6605	0.000	2	109.3526	2.102	70	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC[5])(H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[5])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]O)	105.3540	0.000	1	105.3540	0.000	1	109.3526	2.102	70	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC[5])(H)	C[6](C[6]C[6a]N[6]H)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[5])(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]O[6]HO)(H)2{3|C<3>}	H(C[6]C[6]O[6]O)	109.7115	0.344	2	109.7115	0.119	2	109.3526	2.102	70	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]O)	110.2010	0.000	1	110.2010	0.000	1	109.3526	2.102	70	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	110.1625	0.257	2	109.0917	1.583	4	109.3526	2.102	70	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	108.0210	0.314	2	109.0917	1.583	4	109.3526	2.102	70	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	108.2673	0.509	3	108.2673	0.259	3	109.3526	2.102	70	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6a])(H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]O)	109.1226	0.575	5	109.1226	0.330	5	109.3526	2.102	70	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	108.8000	0.000	1	108.8000	0.000	1	109.3526	2.102	70	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(ON[5])(H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(ON[5])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]O)	112.8930	0.000	1	112.8930	0.000	1	109.3526	2.102	70	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]N[4,6])(OC)(H)	C[6](C[6]C[4,6]C[6a]H)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]N[4,6])(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[4,6]C[6a]H)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]O[6]O)	110.7170	0.000	1	110.7170	0.000	1	109.3526	2.102	70	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]N[5,6])(OC)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]N[5,6])(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]O[6]O)	111.7660	0.000	1	111.7660	0.000	1	109.3526	2.102	70	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]N[6])(OC)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]N[6])(OC)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(H)2{1|C<4>,1|N<2>,2|C<3>}	H(C[6]C[6]O[6]O)	109.1310	0.000	1	109.1310	0.000	1	109.3526	2.102	70	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]N[6])(OC[6])(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]N[6])(OC[6])(H){1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(H)2{1|C<4>,1|N<3>,2|C<3>}	H(C[6]C[6]O[6]O)	108.8650	0.000	1	108.8650	0.000	1	109.3526	2.102	70	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[6]HI)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(I)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HI)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(I){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	109.7360	0.000	1	109.7360	0.000	1	109.7360	0.000	1	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	109.5336	0.411	12	109.4651	0.216	13	109.4792	0.431	17	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	108.6430	0.000	1	109.4651	0.216	13	109.4792	0.431	17	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	109.6750	1.417	3	109.6750	2.008	3	109.4792	0.431	17	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	109.0750	0.000	1	109.0750	0.000	1	109.4792	0.431	17	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:S-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(SC[6a])(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]HS)(H)2	H(C[6]C[6]O[6]S)	C[6](C[6]C[5,6]HH)(O[6]C[6])(SC[6a])(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]HS)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]S)	107.6020	0.000	1	107.6020	0.000	1	107.6020	0.000	1	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(SC)(H)	C[6](C[6]C[6]HH)(C[6]O[6]HS)(H)2	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]HH)(O[6]C[6])(SC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HS)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]S)	107.9292	1.004	4	107.9292	1.007	4	107.9292	1.007	4	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:Se-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(SeC[6a])(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]SeH)(H)2	H(C[6]C[6]O[6]Se)	C[6](C[6]C[6]HH)(O[6]C[6,6])(SeC[6a])(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]SeH)(H)2{2|C<3>}	H(C[6]C[6]O[6]Se)	107.7130	0.000	1	107.7130	0.000	1	107.7130	0.000	1	109.4415	1.959	123	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:N[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6])(OC)(H)	C[6](C[6]C[6]HW)(C[6]N[6]HO)(OC)(H)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]HO)(N[6]C[6])(OC)(H){1|C<4>,1|H<1>,1|O<2>,1|W<7>}	C[6](C[6]C[6]HW)(C[6]N[6]HO)(OC)(H){1|C<3>,1|H<1>}	H(C[6]C[6]N[6]O)	108.4870	0.000	1	108.4870	0.000	1	108.4870	0.000	1	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(CC)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[5,6]HO)(O[6]C[6])(CC)(H){1|C<2>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]C)	109.5050	0.000	1	109.5050	0.000	1	109.5050	0.000	1	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.7470	0.000	1	108.7470	0.000	1	108.7470	0.000	1	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(NN)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NN)(H)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HN)(O[6]C[6])(NN)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]N)	108.7570	0.000	1	108.7570	0.000	1	108.7570	0.000	1	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(NC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OH)(H)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6,6])(NC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]N)	110.1230	0.000	1	110.1230	0.000	1	109.9379	1.519	16	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(NC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6])(NC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]N)	109.3825	0.718	6	109.3825	0.515	6	109.9379	1.519	16	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(NC[5])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[5])(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]N)	111.1970	0.000	1	111.1970	0.000	1	109.9379	1.519	16	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]N)	111.5720	0.342	2	110.1739	2.328	8	109.9379	1.519	16	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]N)	110.3460	0.000	1	110.1739	2.328	8	109.9379	1.519	16	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]N)	109.5802	1.619	5	110.1739	2.328	8	109.9379	1.519	16	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[5,6])(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[5,6]HO)(O[6]C[5,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]O)	108.7978	0.151	4	108.7978	0.023	4	109.5115	0.726	18	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]O)	108.8615	0.158	2	109.1306	0.641	5	109.5115	0.726	18	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,1|P<4>}	H(C[6]C[6]O[6]O)	110.5470	0.000	1	109.1306	0.641	5	109.5115	0.726	18	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]O)	108.6915	0.052	2	109.1306	0.641	5	109.5115	0.726	18	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC[6])(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC[6])(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]O)	110.3820	0.000	1	110.3820	0.000	1	109.5115	0.726	18	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]O)	108.7100	0.000	1	109.5830	1.524	2	109.5115	0.726	18	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]O)	110.4560	0.000	1	109.5830	1.524	2	109.5115	0.726	18	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC[4])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC[4])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]O)	110.2757	0.390	3	110.2757	0.152	3	109.5115	0.726	18	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC[6a])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]O)	110.5555	0.131	2	110.5555	0.017	2	109.5115	0.726	18	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]O)	108.8770	0.000	1	108.8770	0.000	1	109.5115	0.726	18	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(O[6]C[6])(OC)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(NN)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]O)	109.1440	0.488	2	109.1440	0.238	2	109.1440	0.238	2	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(OC)(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]HO)(OC)(H){1|O<2>,3|C<4>}	H(C[6]C[6]O[6]O)	108.7850	0.000	1	108.7850	0.000	1	108.6567	0.021	3	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(O[6]C[6])(OC)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]O)	108.6850	0.000	1	108.6850	0.000	1	108.6567	0.021	3	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(O[6]C[6])(OC)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(OS)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(OS)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]O)	108.5000	0.000	1	108.5000	0.000	1	108.6567	0.021	3	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(HC)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]HO)(HC)(H){1|C<4>,1|H<1>,1|N<4>}	H(C[6]C[6]O[6]O)	107.5610	0.000	1	107.5610	0.000	1	107.5610	0.000	1	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NN)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	108.7635	0.036	2	108.7250	0.005	3	109.9368	2.423	11	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NN)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	108.6480	0.000	1	108.7250	0.005	3	109.9368	2.423	11	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NN)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	110.5497	1.921	3	110.5497	3.691	3	109.9368	2.423	11	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NC)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NC)(H){1|C<4>,1|H<1>,1|I<1>}	H(C[6]C[6]O[6]O)	108.6790	0.000	1	110.8973	3.972	3	109.9368	2.423	11	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NC)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	112.0065	0.750	2	110.8973	3.972	3	109.9368	2.423	11	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NN)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	109.4630	0.000	1	109.4630	0.000	1	109.9368	2.423	11	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(ON)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NN)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6])(ON)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	109.3260	0.000	1	109.3260	0.000	1	109.9368	2.423	11	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[3,6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[3,6])(OC)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	107.7070	0.000	1	107.7070	0.000	1	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[4,6])(OC)(H)	C[6](C[6]C[4,6]HO)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[4,6])(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[4,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	109.4800	0.241	4	109.4800	0.058	4	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H)	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H){1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	108.6900	0.000	1	108.6900	0.000	1	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	108.6710	0.725	12	108.6710	0.526	12	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OS)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	108.9950	0.000	1	108.9950	0.000	1	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC[5])(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	109.1730	0.023	2	109.1730	0.001	2	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC[6])(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	109.3970	0.709	3	109.3970	0.503	3	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	109.1000	0.000	1	109.1000	0.000	1	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|H<1>,2|C<4>,2|F<1>}	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OC)(H){1|C<4>,2|F<1>}	H(C[6]C[6]O[6]O)	111.1560	0.096	2	111.1560	0.009	2	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|H<1>,2|C<4>,2|F<1>}	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OH)(H){1|C<4>,2|F<1>}	H(C[6]C[6]O[6]O)	110.4080	0.020	3	110.4080	0.000	3	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	110.6220	0.000	1	110.6220	0.000	1	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OC)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]O)	109.4970	0.000	1	109.4970	0.000	1	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	108.2750	0.000	1	109.7325	1.197	6	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	109.5070	1.575	2	109.7325	1.197	6	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]O)	110.3687	0.175	3	109.7325	1.197	6	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	110.0127	1.384	4	109.8174	1.202	47	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|O<1>}	H(C[6]C[6]O[6]O)	109.6810	0.000	1	109.8174	1.202	47	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	110.2845	1.009	2	109.8174	1.202	47	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]O)	110.4780	0.000	1	109.8174	1.202	47	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	109.7600	1.116	39	109.8174	1.202	47	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H){1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]O[6]O)	108.5345	0.124	2	108.7017	0.311	6	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	108.7853	0.697	4	108.7017	0.311	6	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	112.5970	6.450	2	109.7678	1.977	60	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	110.0087	1.070	10	109.7678	1.977	60	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|O<2>,2|C<4>}	H(C[6]C[6]O[6]O)	109.0650	0.000	1	109.7678	1.977	60	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]O[6]O)	108.3890	0.000	1	109.7678	1.977	60	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	109.6072	0.989	45	109.7678	1.977	60	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,2|F<1>}	H(C[6]C[6]O[6]O)	111.0140	0.000	1	109.7678	1.977	60	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OS)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	109.5380	0.000	1	109.5380	0.000	1	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HS)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HS)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	110.9175	0.186	2	110.9175	0.035	2	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[3x6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[3x6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	108.5560	0.000	1	108.5560	0.000	1	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5,5])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5,5])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	111.4060	0.000	1	111.4060	0.000	1	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5,6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5,6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	110.9530	0.000	1	110.9530	0.000	1	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	109.4283	1.113	4	109.4599	0.735	7	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|Cl<1>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]O)	109.5020	0.586	3	109.4599	0.735	7	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	115.0350	0.000	1	109.7901	2.754	13	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|Br<1>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]O)	109.2820	0.000	1	109.7901	2.754	13	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|F<1>,1|H<1>}	H(C[6]C[6]O[6]O)	109.1900	0.000	1	109.7901	2.754	13	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	109.4480	0.698	7	109.7901	2.754	13	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|Cl<1>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]O)	109.2093	0.296	3	109.7901	2.754	13	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5a])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5a])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	110.3193	0.171	3	110.3193	0.029	3	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	108.8110	0.000	1	109.0695	0.697	39	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	110.1560	0.000	1	109.0695	0.697	39	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	109.1081	0.835	33	109.0695	0.697	39	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]O)	108.5447	0.772	4	109.0695	0.697	39	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	110.0080	0.000	1	109.0740	0.654	3	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H){1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]O[6]O)	108.6070	0.011	2	109.0740	0.654	3	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	109.9465	1.121	2	109.4932	1.158	107	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	110.9390	0.000	1	109.4932	1.158	107	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]O[6]O)	108.3350	0.000	1	109.4932	1.158	107	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	109.4816	1.074	103	109.4932	1.158	107	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OSi)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	109.2523	0.170	4	109.2523	0.029	4	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	111.3180	0.000	1	110.1966	1.446	26	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	110.1517	1.205	25	110.1966	1.446	26	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	110.2510	1.045	2	110.2510	1.092	2	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	112.0080	0.000	1	110.4484	4.789	51	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	107.5360	0.000	1	110.4484	4.789	51	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	111.1300	0.000	1	110.4484	4.789	51	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	110.4624	2.203	48	110.4484	4.789	51	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H){1|H<1>,2|C<4>,2|F<1>}	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OH)(H){1|C<4>,2|F<1>}	H(C[6]C[6]O[6]O)	110.4990	0.310	2	110.4990	0.096	2	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	C[6](C[6]C[6]FH)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H){1|F<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]O[6]HO)(OH)(H){1|C<4>,1|F<1>,1|H<1>}	H(C[6]C[6]O[6]O)	110.4950	0.000	1	109.6920	1.290	2	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	C[6](C[6]C[6]FH)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H){1|F<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	108.8890	0.000	1	109.6920	1.290	2	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	110.3580	0.000	1	110.3580	0.000	1	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	109.3276	1.720	39	109.3276	2.959	39	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(ON)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(ON)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	110.1670	1.051	4	110.1670	1.105	4	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(ON[5])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(ON[5])(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	109.6270	0.431	2	109.6270	0.186	2	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]N[6])(OC[6])(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]N[6])(OC[6])(H){1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(OC)(H){1|C<4>,1|N<3>,2|C<3>}	H(C[6]C[6]O[6]O)	108.8070	0.000	1	108.8070	0.000	1	109.6694	1.901	463	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:S-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(SC[6a])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HS)(OH)(H)	H(C[6]C[6]O[6]S)	C[6](C[6]C[5,6]HO)(O[6]C[6])(SC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HS)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]S)	109.1887	0.690	3	109.1887	0.476	3	109.1887	0.476	3	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:S-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(O[6]C[6])(SC[6a])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HS)(OH)(H)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6,6]HO)(O[6]C[6])(SC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HS)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]S)	106.9650	0.000	1	106.9650	0.000	1	106.9650	0.000	1	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(SC[6a])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NN)(H)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]HN)(O[6]C[6])(SC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]S)	107.7180	0.000	1	107.7180	0.000	1	107.7180	0.000	1	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(SC[6a])(H)	C[6](C[6]C[6,6]HN)(C[6]O[6]HS)(OH)(H)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]HO)(O[6]C[6,6])(SC[6a])(H){1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HN)(C[6]O[6]HS)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]S)	107.0330	0.000	1	107.0330	0.000	1	109.3557	1.153	42	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(SC[6a])(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OC)(H)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]HO)(O[6]C[6,6])(SC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]S)	109.3880	0.000	1	109.3880	0.000	1	109.3557	1.153	42	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]S)	109.6197	1.047	12	109.6197	1.096	12	109.3557	1.153	42	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]S)	108.3300	1.199	2	108.5180	0.532	4	109.3557	1.153	42	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]S)	108.7060	0.127	2	108.5180	0.532	4	109.3557	1.153	42	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OSi)(H)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]S)	107.5320	0.000	1	107.5320	0.000	1	109.3557	1.153	42	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(SC[5])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]HO)(O[6]C[6])(SC[5])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]S)	109.6670	0.000	1	109.6670	0.000	1	109.3557	1.153	42	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(SC[5a])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]HO)(O[6]C[6])(SC[5a])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]S)	109.3920	1.885	3	109.3920	3.553	3	109.3557	1.153	42	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(SC[6a])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]HO)(O[6]C[6])(SC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]S)	108.7123	0.838	6	108.7123	0.703	6	109.3557	1.153	42	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(SC[6a])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]HO)(O[6]C[6])(SC[6a])(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]S)	109.4840	0.000	1	109.7297	0.049	4	109.3557	1.153	42	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(SC[6a])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]HO)(O[6]C[6])(SC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]S)	109.8117	0.182	3	109.7297	0.049	4	109.3557	1.153	42	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(SPt)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]HO)(O[6]C[6])(SPt)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]S)	109.9124	0.796	5	109.9124	0.634	5	109.3557	1.153	42	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(SS)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]HO)(O[6]C[6])(SS)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]S)	110.2202	0.301	4	110.2202	0.091	4	109.3557	1.153	42	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:Se-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(SeC)(H)	C[6](C[6]O[6]SeH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]O[6]Se)	C[6](C[6]C[6]HO)(O[6]C[6])(SeC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]O[6]SeH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]Se)	106.7900	0.000	1	106.7900	0.000	1	106.7900	0.000	1	109.6215	1.810	566	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(O[6]C[6])(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HO)(COO)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[5,6]CH)(O[6]C[6])(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HO)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]O)	109.4910	0.000	1	109.4910	0.000	1	109.4910	0.000	1	109.4975	1.034	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCC)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCC)(H){1|C<3>,1|C<4>}	H(C[6]C[6]O[6]O)	108.7260	0.000	1	108.7260	0.000	1	109.4380	0.282	4	109.4975	1.034	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(OC[6])(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCH)(H){2|C<3>}	H(C[6]C[6]O[6]O)	109.6753	0.292	3	109.6753	0.085	3	109.4380	0.282	4	109.4975	1.034	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NCC)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NCC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	109.5563	1.024	3	109.5563	1.048	3	109.3766	1.120	30	109.4975	1.034	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NCH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	108.0570	0.000	1	108.0570	0.000	1	109.3766	1.120	30	109.4975	1.034	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NHH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NHH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	108.3870	0.000	1	108.3870	0.000	1	109.3766	1.120	30	109.4975	1.034	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NHS)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NHS)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	109.7040	0.373	2	109.7040	0.139	2	109.3766	1.120	30	109.4975	1.034	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	C[6](C[6]C[6,6]HS)(C[6]O[6]HO)(NCH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HS)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	107.5985	0.814	2	107.5985	0.662	2	109.3766	1.120	30	109.4975	1.034	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]O[6]O)	109.5000	0.000	1	109.6988	1.112	13	109.3766	1.120	30	109.4975	1.034	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	109.7154	1.100	12	109.6988	1.112	13	109.3766	1.120	30	109.4975	1.034	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NHS)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NHS)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	108.6990	0.000	1	108.6990	0.000	1	109.3766	1.120	30	109.4975	1.034	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	110.7025	0.279	2	110.7025	0.078	2	109.3766	1.120	30	109.4975	1.034	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	109.1003	0.283	3	109.1003	0.080	3	109.3766	1.120	30	109.4975	1.034	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OMo)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NMoC)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6])(OMo)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NMoC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	109.7070	0.000	1	109.7070	0.000	1	109.3766	1.120	30	109.4975	1.034	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(ON[5])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6])(ON[5])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	108.3840	0.000	1	108.3840	0.000	1	109.3766	1.120	30	109.4975	1.034	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(O[6]C[6,6])(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]N[5]H)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	H(C[6]C[6]O[6]O)	110.7240	0.000	1	110.7240	0.000	1	110.4629	0.200	7	109.4975	1.034	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	H(C[6]C[6]O[6]O)	110.8390	0.000	1	110.4890	0.318	3	110.4629	0.200	7	109.4975	1.034	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H){1|Rh<6>,1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]O)	110.3140	0.673	2	110.4890	0.318	3	110.4629	0.200	7	109.4975	1.034	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HS)(C[6]O[6]HO)(N[5]C[5]2)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC)(H){1|S<4>,2|H<1>,4|C<4>}	C[6](C[6]C[6]HS)(C[6]O[6]HO)(N[5]C[5]2)(H){1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]O[6]O)	110.1175	0.363	2	110.1175	0.132	2	110.4629	0.200	7	109.4975	1.034	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	H(C[6]C[6]O[6]O)	110.8140	0.000	1	110.8140	0.000	1	110.4629	0.200	7	109.4975	1.034	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OCoC)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OCoC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	108.8690	0.000	1	108.8690	0.000	1	108.8690	0.000	1	109.4975	1.034	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(SC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NCH)(H)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]HN)(O[6]C[6])(SC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]S)	107.1500	0.000	1	107.1500	0.000	1	108.4600	3.432	2	109.4975	1.034	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(SC[6a])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NCH)(H)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]HN)(O[6]C[6])(SC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]S)	109.7700	0.000	1	109.7700	0.000	1	108.4600	3.432	2	109.4975	1.034	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(O[6]C[6,6])(SC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(N[5]C[5]2)(H)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]N[5]H)(O[6]C[6,6])(SC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(N[5]C[5]2)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	H(C[6]C[6]O[6]S)	109.2370	0.000	1	109.2370	0.000	1	109.4055	0.057	2	109.4975	1.034	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(O[6]C[6])(SC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(N[5]C[5]2)(H)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]N[5]H)(O[6]C[6])(SC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(N[5]C[5]2)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	H(C[6]C[6]O[6]S)	109.5740	0.000	1	109.5740	0.000	1	109.4055	0.057	2	109.4975	1.034	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CC)(H)	C[6](C[6]O[6]CC)(C[6]O[6]CH)(CCHH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CC)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]O[6]CC)(C[6]O[6]CH)(CCHH)(H){1|C<3>}	H(C[6]C[6]O[6]C)	109.3760	0.000	1	109.3760	0.000	1	109.3760	0.000	1	109.0093	1.372	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:N-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(NN)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HN)(CH3)(H)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(NN)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HN)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]N)	107.3050	0.000	1	107.3050	0.000	1	107.3050	0.000	1	109.0093	1.372	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(O[6]C[6,6])(OC)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]O[6]HO)(CH3)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[5,6]CH)(O[6]C[6,6])(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]O[6]HO)(CH3)(H){3|C<4>,3|H<1>}	H(C[6]C[6]O[6]O)	108.4315	0.211	2	108.4315	0.045	2	109.7383	5.146	3	109.0093	1.372	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(O[6]C[6])(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(CH3)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[5,6]CH)(O[6]C[6])(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(CH3)(H){1|O<2>,3|C<4>}	H(C[6]C[6]O[6]O)	112.3520	0.000	1	112.3520	0.000	1	109.7383	5.146	3	109.0093	1.372	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[3x6])(OH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6]CH)(O[6]C[3x6])(OH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H){1|O<1>,4|C<4>}	H(C[6]C[6]O[6]O)	108.7980	0.000	1	108.7980	0.000	1	108.5825	2.661	10	109.0093	1.372	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]O)	108.9332	2.321	5	108.9332	5.388	5	108.5825	2.661	10	109.0093	1.372	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC[6])(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]O)	107.7070	0.000	1	107.7070	0.000	1	108.5825	2.661	10	109.0093	1.372	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]O)	108.1940	0.000	1	108.1940	0.000	1	108.5825	2.661	10	109.0093	1.372	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6])(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HO)(CH3)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6]CH)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]O[6]O)	108.7650	0.000	1	108.7650	0.000	1	108.5825	2.661	10	109.0093	1.372	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6])(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HO)(CC[6a]CH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6]CH)(O[6]C[6])(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HO)(CC[6a]CH)(H){3|C<4>,3|H<1>}	H(C[6]C[6]O[6]O)	107.6950	0.000	1	107.6950	0.000	1	108.5825	2.661	10	109.0093	1.372	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[5,6])(OH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(CCHH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CH)(O[6]C[5,6])(OH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(CCHH)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]O[6]O)	110.2620	0.000	1	110.2620	0.000	1	109.3946	0.510	13	109.0093	1.372	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[5,6])(OH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(CH3)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CH)(O[6]C[5,6])(OH)(H){1|H<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(CH3)(H){1|C<4>,3|C<3>}	H(C[6]C[6]O[6]O)	109.0920	0.139	2	109.0920	0.019	2	109.3946	0.510	13	109.0093	1.372	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6,6])(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(CH3)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CH)(O[6]C[6,6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(CH3)(H){2|C<3>}	H(C[6]C[6]O[6]O)	109.2880	0.000	1	109.2880	0.000	1	109.3946	0.510	13	109.0093	1.372	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(CC[6a]CH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HO)(CC[6a]CH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]O)	107.8360	0.000	1	107.8360	0.000	1	109.3946	0.510	13	109.0093	1.372	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CBrHH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CBrHH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	109.2230	0.000	1	109.2230	0.000	1	109.3946	0.510	13	109.0093	1.372	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHN)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHN)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	109.9863	0.195	3	109.9863	0.038	3	109.3946	0.510	13	109.0093	1.372	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CH3)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CH3)(H){1|H<1>,2|C<4>}	H(C[6]C[6]O[6]O)	109.8770	0.000	1	109.8770	0.000	1	109.3946	0.510	13	109.0093	1.372	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CHHN)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CHHN)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	110.0540	0.000	1	110.0540	0.000	1	109.3946	0.510	13	109.0093	1.372	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CSi2H)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CSi2H)(H){1|H<1>,3|C<3>}	H(C[6]C[6]O[6]O)	108.7560	0.000	1	108.7560	0.000	1	109.3946	0.510	13	109.0093	1.372	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(OH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CH3)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(OH)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CH3)(H){1|C<2>,3|C<3>}	H(C[6]C[6]O[6]O)	108.6910	0.000	1	108.6910	0.000	1	109.3946	0.510	13	109.0093	1.372	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NIrHH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NIrHH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	108.7655	0.346	2	108.7655	0.120	2	108.9146	0.635	16	109.0093	1.372	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NRhHH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NRhHH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	108.6710	0.213	6	108.6710	0.045	6	108.9146	0.635	16	109.0093	1.372	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NPdHH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NPdHH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	110.6615	0.144	2	110.6615	0.021	2	108.9146	0.635	16	109.0093	1.372	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(NH3)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6])(OC[6])(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HO)(NH3)(H){1|C<3>,1|H<1>}	H(C[6]C[6]O[6]O)	108.7795	0.696	4	108.7795	0.484	4	108.9146	0.635	16	109.0093	1.372	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NH3)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NH3)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	108.7760	0.000	1	108.7760	0.000	1	108.9146	0.635	16	109.0093	1.372	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OPd)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NPdHH)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6])(OPd)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NPdHH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	107.8600	0.000	1	107.8600	0.000	1	108.9146	0.635	16	109.0093	1.372	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6]H)(O[6]C[6])2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]2H)(H)	H(C[6]C[6]O[6]2)	C[6](C[6]C[6,6]C[6]H)(O[6]C[6])2(H){4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]2H)(H){2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6]O[6]2)	109.7210	0.000	1	109.7210	0.000	1	109.7210	0.000	1	109.0093	1.372	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(O[6]C[6])2(H)	C[6](C[6]C[6]HH)2(C[6]O[6]2H)(H)	H(C[6]C[6]O[6]2)	C[6](C[6]C[6]2H)(O[6]C[6])2(H){1|O<2>,4|C<4>,6|H<1>}	C[6](C[6]C[6]HH)2(C[6]O[6]2H)(H){3|C<4>,4|H<1>}	H(C[6]C[6]O[6]2)	110.0880	0.000	1	109.6570	0.372	2	109.6570	0.372	2	109.0093	1.372	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(O[6]C[6])2(H)	C[6](C[6]C[6]HH)2(C[6]O[6]2H)(H)	H(C[6]C[6]O[6]2)	C[6](C[6]C[6]2H)(O[6]C[6])2(H){1|O<2>,5|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(C[6]O[6]2H)(H){3|C<4>,4|H<1>}	H(C[6]C[6]O[6]2)	109.2260	0.000	1	109.6570	0.372	2	109.6570	0.372	2	109.0093	1.372	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:Se-2:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6]C[6]HS)(O[6]C[6])(SeC)(H)	C[6](C[6]O[6]SeH)(C[6]C[6]HH)(SC[6a]OO)(H)	H(C[6]C[6]O[6]Se)	C[6](C[6]C[6]HS)(O[6]C[6])(SeC)(H){1|C<4>,4|H<1>}	C[6](C[6]O[6]SeH)(C[6]C[6]HH)(SC[6a]OO)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]Se)	106.9270	0.000	1	106.9270	0.000	1	106.9270	0.000	1	109.0093	1.372	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:4:2:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(O[6]C[6])(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CH3)(OH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CO)(O[6]C[6])(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CH3)(OH){1|O<2>,2|C<4>}	H(C[6]C[6]O[6]O)	112.6070	0.000	1	112.6070	0.000	1	112.6070	0.000	1	112.6070	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:4:3:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHH)(NOO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHH)(NOO){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	108.8890	0.000	1	108.8890	0.000	1	108.8890	0.000	1	108.8890	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHH)(CH3)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CC)(O[6]C[6])(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHH)(CH3){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	108.0935	0.152	2	108.0935	0.023	2	108.5353	0.597	3	108.6915	0.496	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(OH)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HO)(CH3)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CC)(O[6]C[6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HO)(CH3)2{1|C<4>}	H(C[6]C[6]O[6]O)	109.4190	0.000	1	109.4190	0.000	1	108.5353	0.597	3	108.6915	0.496	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:2:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]2C)(O[6]C[6,6])(O[6]C[6])(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(C[6]O[6]2H)(CH3)	H(C[6]C[6]O[6]2)	C[6](C[6]C[6]2C)(O[6]C[6,6])(O[6]C[6])(H){2|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(C[6]O[6]2H)(CH3){2|H<1>,5|C<4>}	H(C[6]C[6]O[6]2)	109.1600	0.000	1	109.1600	0.000	1	109.1600	0.000	1	108.6915	0.496	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	3:2:4:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[5a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]O[6]H)(O[6]C[6,6a])(CNO)(H)	C[6](C[5a]C[5a]S[5a])(O[6]C[6,6a])(C[6]O[6]CH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[5a]O[6]H)(O[6]C[6,6a])(CNO)(H){1|S<2>,3|C<3>}	C[6](C[5a]C[5a]S[5a])(O[6]C[6,6a])(C[6]O[6]CH)(H){1|H<1>,4|C<3>}	H(C[6]C[6]O[6]C)	107.6020	0.000	1	107.6020	0.000	1	107.6020	0.000	1	107.6020	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	3:3:4:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(CCH)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]O[6]C)	107.4050	0.000	1	107.4050	0.000	1	107.4050	0.000	1	108.0208	0.451	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	3:3:4:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(CC[6a]O)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(CC[6a]O)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H){2|H<1>,4|C<3>}	H(C[6]C[6]O[6]C)	107.9513	0.046	3	107.9513	0.002	3	107.9513	0.002	3	108.0208	0.451	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	3:3:4:1:	4:	C[6]-4:S[6]-2:C-3:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(S[6]C[6,6a])(CC[6a]O)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]S[6]CH)(H)	H(C[6]C[6]S[6]C)	C[6](C[6]C[6a]N[6]H)(S[6]C[6,6a])(CC[6a]O)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]S[6]CH)(H){1|Cl<1>,1|H<1>,4|C<3>}	H(C[6]C[6]S[6]C)	107.5620	0.000	1	108.4330	1.517	2	108.4330	1.517	2	108.0208	0.451	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	3:3:4:1:	4:	C[6]-4:S[6]-2:C-3:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(S[6]C[6,6a])(CC[6a]O)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]S[6]CH)(H)	H(C[6]C[6]S[6]C)	C[6](C[6]C[6a]N[6]H)(S[6]C[6,6a])(CC[6a]O)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]S[6]CH)(H){2|H<1>,4|C<3>}	H(C[6]C[6]S[6]C)	109.3040	0.000	1	108.4330	1.517	2	108.4330	1.517	2	108.0208	0.451	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	3:3:4:4:	4:	C[6]-4:S[6]-2:C-3:H-1:	N[6]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]N[6]C)(S[6]C[5a,6])(CC[6a]O)(H)	C[6](N[6]N[5a,6]H)(C[6a]C[6a]2)(C[6]S[6]CH)(CH3)	H(C[6]C[6]S[6]C)	C[6](C[6]C[6a]N[6]C)(S[6]C[5a,6])(CC[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]N[5a,6]H)(C[6a]C[6a]2)(C[6]S[6]CH)(CH3){1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6]S[6]C)	109.4720	0.000	1	109.4720	0.000	1	109.4720	0.000	1	109.4720	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	3:4:1:1:	4:	C[6]-4:N[6]-2:C-3:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6])(COO)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[5a,6]HH)(N[6]C[6])(COO)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]CH)(H)2{1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6]N[6]C)	108.5440	0.000	1	108.5440	0.000	1	108.5440	0.000	1	108.6001	0.097	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	3:4:1:1:	4:	C[6]-4:N[6]-2:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6])(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6])(COO)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	108.4840	0.321	2	108.5003	0.052	3	108.5003	0.052	3	108.6001	0.097	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	3:4:1:1:	4:	C[6]-4:N[6]-2:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6])(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6])(COO)(H){1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	108.5330	0.000	1	108.5003	0.052	3	108.5003	0.052	3	108.6001	0.097	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]B[6])(CCH)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]HH)(O[6]B[6])(CCH)(H){1|C<3>,1|N<3>,2|C<4>}	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]CH)(H)2{1|B<4>,1|H<1>,2|C<3>}	H(C[6]C[6]O[6]C)	108.9380	0.000	1	108.9380	0.000	1	108.7770	0.052	2	108.6001	0.097	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCC)(H)	C[6](C[6,6]C[6,6]2)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCC)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6,6]C[6,6]2)(C[6]O[6]CH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]O[6]C)	108.6160	0.000	1	108.6160	0.000	1	108.7770	0.052	2	108.6001	0.097	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CC[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CC[6a]O)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]O[6]C)	109.0470	0.000	1	109.0470	0.000	1	108.9730	0.011	2	108.6001	0.097	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(COO)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]O[6]C)	108.8990	0.000	1	108.8990	0.000	1	108.9730	0.011	2	108.6001	0.097	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCH)(H)	C[6](C[6]C[6,6]O)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6,6]O)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]O[6]C)	108.0560	0.000	1	108.0560	0.000	1	108.2280	0.059	2	108.6001	0.097	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(H)	C[6](C[6]C[6a]C[6])(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]O[6]CH)(H)2{4|C<3>}	H(C[6]C[6]O[6]C)	108.4000	0.000	1	108.4000	0.000	1	108.2280	0.059	2	108.6001	0.097	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	3:4:2:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCC)(H)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(OH)(H){2|C<4>}	H(C[6]C[6]O[6]C)	107.7830	0.000	1	107.7830	0.000	1	107.7830	0.000	1	109.0233	1.209	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	3:4:2:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(O[6]C[6])(COO)(H)	C[6](C[6a]C[6a]2)(C[6]O[6]CH)(O[6]C[6])(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6a]O[6]H)(O[6]C[6])(COO)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]O[6]CH)(O[6]C[6])(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]O[6]C)	109.6435	0.332	2	109.6435	0.110	2	109.6435	0.110	2	109.0233	1.209	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	3:4:3:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(O[6]C[6])(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CCC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]CH)(O[6]C[6])(COO)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CCC)(H){1|O<2>,3|C<3>}	H(C[6]C[6]O[6]C)	108.0760	0.065	2	108.0760	0.004	2	108.0760	0.004	2	108.0760	0.004	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	3:4:4:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(O[6]C[6])(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CCCH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]CH)(O[6]C[6])(COO)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CCCH)(H){1|O<2>,3|C<3>}	H(C[6]C[6]O[6]C)	107.6080	0.000	1	107.6080	0.000	1	107.6080	0.000	1	108.2703	2.463	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	3:4:4:1:	4:	C[6]-4:S[6]-2:C-3:H-1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(S[6]C[6,6a])(COO)(H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]S[6]CH)(CH3)(H)	H(C[6]C[6]S[6]C)	C[6](C[6]C[5a,6]CH)(S[6]C[6,6a])(COO)(H){3|C<3>}	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]S[6]CH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]S[6]C)	106.4330	0.000	1	106.4330	0.000	1	106.4330	0.000	1	108.2703	2.463	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	3:4:4:1:	4:	C[6]-4:S[6]-2:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(S[6]C[6])(CC[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]S[6]CH)(H)	H(C[6]C[6]S[6]C)	C[6](C[6]C[6a]C[6]H)(S[6]C[6])(CC[6a]O)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]S[6]CH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]S[6]C)	109.0450	0.000	1	109.0450	0.000	1	109.5200	0.451	2	108.2703	2.463	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	3:4:4:1:	4:	C[6]-4:S[6]-2:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(S[6]C[6])(CC[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]CH)(H)	H(C[6]C[6]S[6]C)	C[6](C[6]C[6a]C[6]H)(S[6]C[6])(CC[6a]O)(H){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]CH)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]S[6]C)	109.9950	0.000	1	109.9950	0.000	1	109.5200	0.451	2	108.2703	2.463	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	3:4:4:4:	4:	C[6]-4:O[6]-2:N-3:H-1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]N[6]CC)(O[6]C[6,6])(NCH)(H)	C[6](N[6]C[6,6]H)(C[6]O[6]HN)(CH3)2	H(C[6]C[6]O[6]N)	C[6](C[6]N[6]CC)(O[6]C[6,6])(NCH)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6,6]H)(C[6]O[6]HN)(CH3)2{2|C<3>}	H(C[6]C[6]O[6]N)	107.2580	0.000	1	107.2580	0.000	1	107.2580	0.000	1	107.2580	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6,6])(CCC)(H)	C[6](C[6]O[6]CH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]HH)(O[6]C[6,6])(CCC)(H){1|H<1>,2|C<4>}	C[6](C[6]O[6]CH)(O[6]C[6,6])(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.1055	1.627	2	108.1055	2.647	2	108.6303	1.503	4	108.8194	1.306	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]O[6])(CCC)(H)	C[6](C[6]O[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]HH)(O[6]O[6])(CCC)(H){1|C<4>}	C[6](C[6]O[6]CH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.5380	0.000	1	109.1550	0.761	2	108.6303	1.503	4	108.8194	1.306	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]O[6])(CCC)(H)	C[6](C[6]O[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]HH)(O[6]O[6])(CCC)(H){1|C<4>}	C[6](C[6]O[6]CH)(O[6]C[6])(H)2{1|O<2>,2|C<4>}	H(C[6]C[6]O[6]C)	109.7720	0.000	1	109.1550	0.761	2	108.6303	1.503	4	108.8194	1.306	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:2:1:1:	4:	C[6]-4:S[6]-2:C[5]-3:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[5,6])(C[5]C[5]2)(H)	C[6](C[6]C[5]S[6]H)(S[6]C[5,6])(H)2	H(C[6]C[5]C[6]S[6])	C[6](C[6]S[6]HH)(S[6]C[5,6])(C[5]C[5]2)(H){1|C<3>,1|H<1>,1|N<3>,1|S<2>,3|C<4>}	C[6](C[6]C[5]S[6]H)(S[6]C[5,6])(H)2{1|C<4>,1|S<2>,2|C<3>}	H(C[6]C[5]C[6]S[6])	109.5760	0.000	1	109.5760	0.000	1	109.5760	0.000	1	108.8194	1.306	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:2:3:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(O[6]C[6])(CNO)(H)	C[6](C[6]O[6]CH)(O[6]C[6])(COO)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]CH)(O[6]C[6])(CNO)(H){1|O<2>,2|C<4>}	C[6](C[6]O[6]CH)(O[6]C[6])(COO)(H){1|O<2>,2|C<4>}	H(C[6]C[6]O[6]C)	106.1050	0.000	1	106.1050	0.000	1	106.4175	0.195	2	106.4175	0.195	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:2:3:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(O[6]C[6])(COO)(H)	C[6](C[6]O[6]CH)(O[6]C[6])(CNO)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]CH)(O[6]C[6])(COO)(H){1|O<2>,2|C<4>}	C[6](C[6]O[6]CH)(O[6]C[6])(CNO)(H){1|O<2>,2|C<4>}	H(C[6]C[6]O[6]C)	106.7300	0.000	1	106.7300	0.000	1	106.4175	0.195	2	106.4175	0.195	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:2:4:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(O[6]C[6])(CCH)(H)	C[6](C[6]O[6]CH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]CH)(O[6]C[6])(CCH)(H){1|O<2>,2|C<4>}	C[6](C[6]O[6]CH)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>}	H(C[6]C[6]O[6]C)	107.9740	0.000	1	107.9740	0.000	1	107.9740	0.000	1	107.9740	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(O[6]C[6])(CCH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(F)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]FH)(O[6]C[6])(CCH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(F)(H){1|C<3>,1|H<1>}	H(C[6]C[6]O[6]C)	108.3230	0.163	2	108.3230	0.026	2	108.3230	0.026	2	109.1905	1.589	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]O[6]C)	112.3880	0.000	1	112.3880	0.000	1	110.0800	10.654	2	109.1905	1.589	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6a]O)(H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6a]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]O[6]C)	107.7720	0.000	1	107.7720	0.000	1	110.0800	10.654	2	109.1905	1.589	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CCH)(H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]HH)(O[6]C[6])(CCH)(H){1|C<4>,1|O<1>,1|S<4>}	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	109.4160	0.000	1	109.2970	0.036	5	109.1832	0.107	6	109.1905	1.589	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CCH)(H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]HH)(O[6]C[6])(CCH)(H){1|S<4>,2|C<3>}	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]O[6]C)	109.2673	0.205	4	109.2970	0.036	5	109.1832	0.107	6	109.1905	1.589	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CNO)(H)	C[6](C[6]O[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]HH)(O[6]C[6])(CNO)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]O[6]CH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.6140	0.000	1	108.6140	0.000	1	109.1832	0.107	6	109.1905	1.589	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:3:2:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCC)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CCC)(H){1|C<3>,3|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H){2|C<4>}	H(C[6]C[6]O[6]C)	108.4110	0.000	1	108.4110	0.000	1	108.5355	0.031	2	108.5355	0.031	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:3:2:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CCH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H){1|C<3>,1|H<1>}	H(C[6]C[6]O[6]C)	108.6600	0.000	1	108.6600	0.000	1	108.5355	0.031	2	108.5355	0.031	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:3:3:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(COO)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(COO)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	109.4740	0.000	1	109.4740	0.000	1	109.4740	0.000	1	109.4740	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:3:3:3:	4:	C[6]-4:O[6]-2:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6]2)(O[6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]C[6]O[6]H)(C[6a]C[6a]2)(C[6]C[6]O)2	H(C[6]C[6]2O[6])	C[6](C[6]C[6a]C[6]2)(O[6]C[6,6])(C[6]C[6]H)(H){1|H<1>,2|O<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6]O[6]H)(C[6a]C[6a]2)(C[6]C[6]O)2{1|C<4>,4|C<3>,7|H<1>}	H(C[6]C[6]2O[6])	107.4060	0.000	1	107.4060	0.000	1	107.4060	0.000	1	107.4060	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:3:4:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CC[6a]O)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CC[6a]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	109.5140	0.000	1	109.5140	0.000	1	109.5140	0.000	1	109.3197	0.314	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:3:4:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6])(COO)(H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6])(COO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]O[6]CH)(H){2|H<1>,4|C<3>}	H(C[6]C[6]O[6]C)	109.7570	0.000	1	109.7570	0.000	1	109.2225	0.571	2	109.3197	0.314	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:3:4:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCC)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCC)(H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H){3|H<1>,5|C<3>}	H(C[6]C[6]O[6]C)	108.6880	0.000	1	108.6880	0.000	1	109.2225	0.571	2	109.3197	0.314	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-2:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6])(CCH)(H)	C[6](C[6]C[6a]O[6]H)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6])(CCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6a]O[6]H)(C[6]N[6]CH)(H)2{3|C<3>}	H(C[6]C[6]N[6]C)	107.8480	0.000	1	107.8480	0.000	1	108.5635	1.024	2	108.5599	1.241	57	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-2:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6])(COO)(H)	C[6](C[6]N[6]CH)(C[6]O[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6])(COO)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]N[6]CH)(C[6]O[6]CH)(H)2{1|C<3>}	H(C[6]C[6]N[6]C)	109.2790	0.000	1	109.2790	0.000	1	108.5635	1.024	2	108.5599	1.241	57	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(O[6]C[6])(CCO)(H)	C[6](C[3,6]C[3]2C[6])(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[3,6]HH)(O[6]C[6])(CCO)(H){1|O<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]O[6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	108.4060	0.000	1	108.4060	0.000	1	108.4060	0.000	1	108.5599	1.241	57	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6,6a])(CNO)(H)	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[5,6]HH)(O[6]C[6,6a])(CNO)(H){1|N<3>,3|C<3>}	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6]O[6]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[6]O[6]C)	110.4370	0.000	1	110.4370	0.000	1	110.4370	0.000	1	108.5599	1.241	57	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(CCC)(H)	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(CCC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]O[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	107.8560	0.000	1	107.8560	0.000	1	107.7820	0.518	3	108.5599	1.241	57	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCC)(H)	C[6](C[6,6]C[6,6]2H)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]2H)(C[6]O[6]CH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[6]O[6]C)	108.4620	0.000	1	108.4620	0.000	1	107.7820	0.518	3	108.5599	1.241	57	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCH)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCH)(H){1|C<3>,1|O<1>,2|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]O[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]O[6]C)	107.0280	0.000	1	107.0280	0.000	1	107.7820	0.518	3	108.5599	1.241	57	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCH)(H)	C[6](C[6]C[5,6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]CH)(H)2{1|O<2>,2|C<4>}	H(C[6]C[6]O[6]C)	107.8670	0.000	1	107.8670	0.000	1	108.6415	1.586	35	108.5599	1.241	57	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCC)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]O[6]C)	108.8640	0.000	1	108.8640	0.000	1	108.6415	1.586	35	108.5599	1.241	57	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.4735	1.059	2	108.4735	1.121	2	108.6415	1.586	35	108.5599	1.241	57	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|I<1>}	H(C[6]C[6]O[6]C)	109.8910	0.000	1	108.7855	0.665	15	108.6415	1.586	35	108.5599	1.241	57	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.5126	0.845	10	108.7855	0.665	15	108.6415	1.586	35	108.5599	1.241	57	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	108.9920	0.000	2	108.7855	0.665	15	108.6415	1.586	35	108.5599	1.241	57	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	109.3910	0.293	2	108.7855	0.665	15	108.6415	1.586	35	108.5599	1.241	57	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	C[6](C[6]C[6]SS)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){1|H<1>,2|C<4>,2|S<4>}	C[6](C[6]C[6]SS)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	105.5440	0.000	1	105.5440	0.000	1	108.6415	1.586	35	108.5599	1.241	57	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CNO)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CNO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.1777	0.313	3	108.1777	0.098	3	108.6415	1.586	35	108.5599	1.241	57	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.4060	0.867	3	108.4060	0.752	3	108.6415	1.586	35	108.5599	1.241	57	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(H)	C[6](C[6]C[6a]C[6]O)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]O[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	108.8940	0.000	1	108.8940	0.000	1	108.6415	1.586	35	108.5599	1.241	57	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]N[6])(CCC)(H)	C[6](C[6]C[6]CC)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]N[6])(CCC)(H){1|C<4>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]C)	107.8510	0.000	1	107.8510	0.000	1	108.6415	1.586	35	108.5599	1.241	57	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]N[6])(CCH)(H)	C[6](C[6]C[5,6]CC)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]N[6])(CCH)(H){1|C<4>,3|C<3>}	C[6](C[6]C[5,6]CC)(C[6]O[6]CH)(H)2{1|N<3>,2|C<3>}	H(C[6]C[6]O[6]C)	110.0760	0.000	1	110.0760	0.000	1	108.6415	1.586	35	108.5599	1.241	57	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6])(CCH)(H)	C[6](C[6]O[6]CH)2(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]P[6])(CCH)(H){1|B<4>,1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]O[6]CH)2(H)2{1|P<4>}	H(C[6]C[6]O[6]C)	109.5108	2.545	4	109.1457	5.223	6	108.6415	1.586	35	108.5599	1.241	57	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6])(CCH)(H)	C[6](C[6]O[6]CH)2(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]P[6])(CCH)(H){1|C<3>,1|H<1>,1|O<1>,2|O<2>}	C[6](C[6]O[6]CH)2(H)2{1|P<4>}	H(C[6]C[6]O[6]C)	108.4155	2.256	2	109.1457	5.223	6	108.6415	1.586	35	108.5599	1.241	57	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(O[6]C[6])(NCH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]HN)(Cl)(H)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]ClH)(O[6]C[6])(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HN)(Cl)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]N)	107.9620	0.000	1	107.9620	0.000	1	108.1691	0.760	9	108.5599	1.241	57	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(O[6]C[6])(NCH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(Cl)(H)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]ClH)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(Cl)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]N)	108.2613	1.337	4	108.2613	1.787	4	108.1691	0.760	9	108.5599	1.241	57	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(O[6]C[6])(NHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(Cl)(H)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]ClH)(O[6]C[6])(NHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(Cl)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]N)	108.1287	0.461	4	108.1287	0.212	4	108.1691	0.760	9	108.5599	1.241	57	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(NC[6a]H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(H)2	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HH)(O[6]C[6])(NC[6a]H)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]N)	109.0760	0.000	1	109.0760	0.000	1	108.7713	0.035	6	108.5599	1.241	57	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(NC[6a]H)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HN)(H)2	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HH)(O[6]C[6])(NC[6a]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HN)(H)2{1|C<4>}	H(C[6]C[6]O[6]N)	108.7104	0.127	5	108.7104	0.016	5	108.7713	0.035	6	108.5599	1.241	57	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:2:1:	4:	C[6]-4:N[6]-2:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6])(COO)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6])(COO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6]C)	109.7310	0.000	1	109.7310	0.000	1	109.7310	0.000	1	108.9885	1.134	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCC)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H){1|C<3>,1|C<4>}	H(C[6]C[6]O[6]C)	107.7880	0.000	1	107.7880	0.000	1	109.2231	0.785	23	108.9885	1.134	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCH)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.4240	0.000	1	109.4240	0.000	1	109.2231	0.785	23	108.9885	1.134	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCH)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.1410	0.000	1	109.1410	0.000	1	109.2231	0.785	23	108.9885	1.134	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCH)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CCH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC)(H){1|C<4>}	H(C[6]C[6]O[6]C)	108.3020	0.000	1	108.3020	0.000	1	109.2231	0.785	23	108.9885	1.134	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHN)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHN)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	110.0620	0.000	1	110.0620	0.000	1	109.2231	0.785	23	108.9885	1.134	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.1370	0.000	1	108.1370	0.000	1	109.2231	0.785	23	108.9885	1.134	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CNO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CNO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.9850	0.000	1	108.9850	0.000	1	109.2231	0.785	23	108.9885	1.134	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CNO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CNO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	110.0800	0.000	1	110.0800	0.000	1	109.2231	0.785	23	108.9885	1.134	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H){1|C<4>,1|I<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.5640	0.000	2	109.1432	0.258	8	109.2231	0.785	23	108.9885	1.134	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.3195	0.289	2	109.1432	0.258	8	109.2231	0.785	23	108.9885	1.134	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.4377	0.602	3	109.1432	0.258	8	109.2231	0.785	23	108.9885	1.134	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H){1|Se<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.0660	0.000	1	109.1432	0.258	8	109.2231	0.785	23	108.9885	1.134	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.8010	0.000	1	109.8010	0.000	1	109.2231	0.785	23	108.9885	1.134	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.4950	0.000	1	109.5442	1.768	6	109.2231	0.785	23	108.9885	1.134	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.5540	1.486	5	109.5442	1.768	6	109.2231	0.785	23	108.9885	1.134	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(NCH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OH)(H)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6,6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]N)	109.0290	0.000	1	109.0290	0.000	1	108.7261	1.129	32	108.9885	1.134	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(NC[6a]H)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OH)(H)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6,6])(NC[6a]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]N)	107.7510	0.000	1	107.7510	0.000	1	108.7261	1.129	32	108.9885	1.134	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(NCuC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OCu)(H)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6,6])(NCuC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OCu)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]N)	109.3080	0.000	1	109.3080	0.000	1	108.7261	1.129	32	108.9885	1.134	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(NCC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6])(NCC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]N)	107.5530	0.000	1	107.5530	0.000	1	108.7261	1.129	32	108.9885	1.134	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]N)	109.6147	0.552	3	109.2021	0.826	9	108.7261	1.129	32	108.9885	1.134	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]N)	108.9958	1.023	6	109.2021	0.826	9	108.7261	1.129	32	108.9885	1.134	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]N)	109.0517	1.155	3	109.0517	1.334	3	108.7261	1.129	32	108.9885	1.134	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]C)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]C)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]N)	109.2675	0.070	2	109.2675	0.005	2	108.7261	1.129	32	108.9885	1.134	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]C)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]C)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]N)	109.2610	0.000	1	109.2610	0.000	1	108.7261	1.129	32	108.9885	1.134	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]H)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]N)	108.7523	1.329	3	108.7523	1.766	3	108.7261	1.129	32	108.9885	1.134	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]N)	109.1833	0.353	3	109.1833	0.125	3	108.7261	1.129	32	108.9885	1.134	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(NCuC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6])(NCuC)(H){1|C<4>,1|O<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]N)	107.1382	0.270	4	107.1382	0.073	4	108.7261	1.129	32	108.9885	1.134	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(NHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6])(NHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]N)	109.4550	0.000	1	109.4550	0.000	1	108.7261	1.129	32	108.9885	1.134	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(NHS)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6])(NHS)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]N)	106.6920	0.000	1	106.6920	0.000	1	108.7261	1.129	32	108.9885	1.134	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(NHS)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6])(NHS)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]N)	109.3180	0.000	1	109.3180	0.000	1	108.7261	1.129	32	108.9885	1.134	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:S-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(SCO)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OS)(H)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]HO)(O[6]C[6,6])(SCO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]S)	109.7825	0.185	2	109.7825	0.034	2	110.3775	0.539	4	108.9885	1.134	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:S-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(SC[3x6]O)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OS)(H)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]HO)(O[6]C[6,6])(SC[3x6]O)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]S)	110.9725	0.409	2	110.9725	0.168	2	110.3775	0.539	4	108.9885	1.134	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:2:1:	4:	C[6]-4:S[6]-2:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(S[6]C[5,6])(CC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]S[6]CH)(OH)(H)	H(C[6]C[6]S[6]C)	C[6](C[6]C[6]HO)(S[6]C[5,6])(CC[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]S[6]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]S[6]C)	108.1130	0.880	2	108.1130	0.774	2	107.8890	0.537	3	108.9885	1.134	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:2:1:	4:	C[6]-4:S[6]-2:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(S[6]C[6])(COO)(H)	C[6](C[6]C[6]HH)(C[6]S[6]CH)(OH)(H)	H(C[6]C[6]S[6]C)	C[6](C[6]C[6]HO)(S[6]C[6])(COO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]S[6]CH)(OH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]S[6]C)	107.4410	0.000	1	107.4410	0.000	1	107.8890	0.537	3	108.9885	1.134	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CCH)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NCH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HN)(O[6]C[6])(CCH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NCH)(H){1|C<4>}	H(C[6]C[6]O[6]C)	109.5870	0.405	4	109.5870	0.164	4	109.5870	0.164	4	109.0531	1.810	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(NCH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NCH)(H)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HN)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]N)	109.1700	0.000	1	109.1700	0.000	1	108.7715	0.318	2	109.0531	1.810	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(NCO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NCH)(H)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HN)(O[6]C[6])(NCO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]N)	108.3730	0.000	1	108.3730	0.000	1	108.7715	0.318	2	109.0531	1.810	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:O-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(NCuC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OCu2)(H)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6,6])(NCuC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OCu2)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]N)	109.6820	0.000	1	109.0288	3.070	10	109.0288	3.070	10	109.0531	1.810	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:O-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(NCuC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OCu2)(H)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6,6])(NCuC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OCu2)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]N)	108.9562	1.843	9	109.0288	3.070	10	109.0288	3.070	10	109.0531	1.810	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:S-3:H-1:	C[6]-4:C[6]-4:O-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(SNiPt)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(ONiH)(H)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]HO)(O[6]C[6])(SNiPt)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(ONiH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]S)	108.3880	0.365	2	108.3880	0.133	2	108.3880	0.133	2	109.0531	1.810	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	108.3130	0.000	1	108.3130	0.000	1	106.3798	1.169	6	106.3729	0.974	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCCH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCCH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	106.1297	0.720	3	106.1297	0.518	3	106.3798	1.169	6	106.3729	0.974	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCO)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCFF)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCFF)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	105.7885	0.428	2	105.7885	0.183	2	106.3798	1.169	6	106.3729	0.974	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6]H)(O[6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O[6]H)(C[6]C[6]CO)(H)	H(C[6]C[6]2O[6])	C[6](C[6]C[6,6]C[6]H)(O[6]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O[6]H)(C[6]C[6]CO)(H){2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2O[6])	106.3310	0.000	1	106.3310	0.000	1	106.3310	0.000	1	106.3729	0.974	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[3,6]CC)(O[6]C[6])(COO)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]O[6]CH)(CH3)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[3,6]CC)(O[6]C[6])(COO)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]O[6]CH)(CH3)2{1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	110.5910	0.000	1	110.5910	0.000	1	110.5910	0.000	1	109.1247	1.690	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:3:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(CNO)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CH3)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CC)(O[6]C[6])(CNO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CH3)2{1|C<4>}	H(C[6]C[6]O[6]C)	108.3915	0.394	2	108.3915	0.155	2	108.3915	0.155	2	109.1247	1.690	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:3:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(CCHH)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6]O[6]C)	108.2577	1.428	3	108.2577	2.038	3	108.6000	1.828	4	108.6859	0.942	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:3:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(CSeHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(CSeHH)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6]O[6]C)	109.6270	0.000	1	109.6270	0.000	1	108.6000	1.828	4	108.6859	0.942	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:3:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(CH3)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(CH3)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H){2|H<1>,4|C<3>}	H(C[6]C[6]O[6]C)	108.8385	0.301	2	108.8385	0.090	2	108.8003	0.050	3	108.6859	0.942	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:3:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(CHHO)(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]CH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]O[6]C)	108.7240	0.000	1	108.7240	0.000	1	108.8003	0.050	3	108.6859	0.942	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:3:4:2:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(O[6]C[6,6a])(CH3)(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]CH)(OH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6a]C[6]O)(O[6]C[6,6a])(CH3)(H){1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]CH)(OH){2|H<1>,4|C<3>}	H(C[6]C[6]O[6]C)	107.9855	0.016	2	107.9855	0.000	2	108.3097	0.315	3	108.3097	0.315	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:3:4:2:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]CH)(OH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6a]C[6]O)(O[6]C[6])(CCHH)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]CH)(OH){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6]O[6]C)	108.9580	0.000	1	108.9580	0.000	1	108.3097	0.315	3	108.3097	0.315	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(CHHO)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(CHHO)(H){1|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]O[6]C)	114.6280	0.000	1	114.6280	0.000	1	114.6280	0.000	1	108.8726	1.716	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(O[6]C[6])(CH3)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[5a,6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]CH)(H)2{1|N<2>,3|C<3>}	H(C[6]C[6]O[6]C)	107.3590	1.302	3	107.3590	1.695	3	107.3590	1.695	3	108.8726	1.716	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(F)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CCHH)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(F)(H){1|H<1>,3|C<3>}	H(C[6]C[6]O[6]C)	108.3580	0.000	1	108.3580	0.000	1	108.3757	0.005	3	108.8726	1.716	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(F)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(F)(H){1|H<1>,3|C<3>}	H(C[6]C[6]O[6]C)	108.4550	0.000	1	108.4550	0.000	1	108.3757	0.005	3	108.8726	1.716	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CHHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(F)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CHHO)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(F)(H){1|H<1>,3|C<3>}	H(C[6]C[6]O[6]C)	108.3140	0.000	1	108.3140	0.000	1	108.3757	0.005	3	108.8726	1.716	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6,6])(CCHH)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HH)(O[6]C[6,6])(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]O[6]C)	112.5390	0.000	1	112.5390	0.000	1	108.9795	0.502	42	108.8726	1.716	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCCO)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]O[6]C)	108.1543	0.292	4	108.1138	0.072	5	108.9795	0.502	42	108.8726	1.716	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCCO)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6]O[6]C)	107.9520	0.000	1	108.1138	0.072	5	108.9795	0.502	42	108.8726	1.716	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCHH)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]O[6]C)	108.9100	0.000	1	109.2570	0.241	2	108.9795	0.502	42	108.8726	1.716	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCHH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]O[6]C)	109.6040	0.000	1	109.2570	0.241	2	108.9795	0.502	42	108.8726	1.716	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CC[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CC[6]HH)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]O[6]C)	108.9222	0.295	9	108.9222	0.087	9	108.9795	0.502	42	108.8726	1.716	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]O[6]C)	108.9430	0.000	1	108.9020	0.072	3	108.9795	0.502	42	108.8726	1.716	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(H)2{4|C<3>}	H(C[6]C[6]O[6]C)	108.8815	0.375	2	108.9020	0.072	3	108.9795	0.502	42	108.8726	1.716	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]O[6]C)	109.0520	0.000	1	109.0037	0.104	19	108.9795	0.502	42	108.8726	1.716	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6]O[6]C)	109.1110	0.375	2	109.0037	0.104	19	108.9795	0.502	42	108.8726	1.716	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]O[6]C)	108.5985	0.070	2	109.0037	0.104	19	108.9795	0.502	42	108.8726	1.716	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]O[6]C)	109.1866	0.213	10	109.0037	0.104	19	108.9795	0.502	42	108.8726	1.716	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|O<2>,3|C<3>}	H(C[6]C[6]O[6]C)	108.4610	0.000	1	109.0037	0.104	19	108.9795	0.502	42	108.8726	1.716	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{4|C<3>}	H(C[6]C[6]O[6]C)	108.8235	0.367	2	109.0037	0.104	19	108.9795	0.502	42	108.8726	1.716	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6]O[6]C)	108.6260	0.000	1	109.0037	0.104	19	108.9795	0.502	42	108.8726	1.716	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CHHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CHHO)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|O<2>,3|C<3>}	H(C[6]C[6]O[6]C)	108.8235	0.091	2	108.8235	0.008	2	108.9795	0.502	42	108.8726	1.716	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]S[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HH)(O[6]S[6])(CH3)(H){1|N<2>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,1|S<4>,2|C<3>}	H(C[6]C[6]O[6]C)	109.7940	0.000	1	109.7940	0.000	1	108.9795	0.502	42	108.8726	1.716	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CC3)(H)	C[6](C[6]C[6,6]O)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CC3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6,6]O)(C[6]O[6]CH)(H)2{3|C<4>}	H(C[6]C[6]O[6]C)	103.8140	0.000	1	103.8140	0.000	1	107.2130	5.237	4	108.8726	1.716	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCCO)(H)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCCO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H)2{2|C<4>}	H(C[6]C[6]O[6]C)	108.1330	0.185	2	108.1330	0.034	2	107.2130	5.237	4	108.8726	1.716	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHO)(H)	C[6](C[6]N[6,6]O)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]N[6,6]O)(C[6]O[6]CH)(H)2{2|C<4>}	H(C[6]C[6]O[6]C)	108.7720	0.000	1	108.7720	0.000	1	107.2130	5.237	4	108.8726	1.716	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(O[6]B[6])(CC3)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]N[5,6]HH)(O[6]B[6])(CC3)(H){2|C<3>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]CH)(H)2{1|B<4>,1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]C)	107.7960	0.000	1	107.7960	0.000	1	108.7370	0.677	3	108.8726	1.716	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(O[6]C[5,6])(CH3)(H)	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]N[5,6]HH)(O[6]C[5,6])(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6]O[6]CH)(H)2{1|C<4>,1|O<2>,3|C<3>}	H(C[6]C[6]O[6]C)	109.3210	0.000	1	109.3210	0.000	1	108.7370	0.677	3	108.8726	1.716	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(O[6]C[6,6])(CH3)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]N[5,6]HH)(O[6]C[6,6])(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]O[6]CH)(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[6]C[6]O[6]C)	109.0940	0.000	1	109.0940	0.000	1	108.7370	0.677	3	108.8726	1.716	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(O[6]C[6])(CH3)(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]N[6,6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]O[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]O[6]C)	111.4180	0.000	1	111.4180	0.000	1	111.4180	0.000	1	108.8726	1.716	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	O[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]O[6,6]HH)(O[6]C[6])(CH3)(H)	C[6](O[6,6]C[6,6]N[6,6])(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]O[6,6]HH)(O[6]C[6])(CH3)(H){1|H<1>,1|N<3>,2|C<4>}	C[6](O[6,6]C[6,6]N[6,6])(C[6]O[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]O[6]C)	108.9850	0.000	1	108.9850	0.000	1	108.9850	0.000	1	108.8726	1.716	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	S[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6])(CCHH)(H)	C[6](S[6]C[6a]N[6])(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]S[6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|N<2>,1|O<1>}	C[6](S[6]C[6a]N[6])(C[6]O[6]CH)(H)2{3|C<3>}	H(C[6]C[6]O[6]C)	109.9680	0.000	1	109.9680	0.000	1	109.9680	0.000	1	108.8726	1.716	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:1:1:	4:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[5,6])(CH3)(H)	C[6](C[6]N[5,6]O)(C[6]S[6]CH)(H)2	H(C[6]C[6]S[6]C)	C[6](C[6]C[6]HH)(S[6]C[5,6])(CH3)(H){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[6]N[5,6]O)(C[6]S[6]CH)(H)2{2|C<4>}	H(C[6]C[6]S[6]C)	108.4125	1.224	2	108.4125	1.498	2	108.4125	1.498	2	108.8726	1.716	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:2:1:	4:	C[6]-4:N[6]-2:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6])(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6])(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]N[6]H)(N[6]C[6])(CH3)(H){4|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6])(H){2|H<1>,4|C<3>}	H(C[6]C[6]N[6]C)	108.2330	0.000	1	108.2330	0.000	1	108.2330	0.000	1	108.2698	1.327	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCCH)(H){1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H){1|H<1>,3|C<3>}	H(C[6]C[6]O[6]C)	107.5350	0.000	1	107.5350	0.000	1	108.2474	1.506	15	108.2698	1.327	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCCH)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H){1|H<1>,3|C<3>}	H(C[6]C[6]O[6]C)	108.6993	1.167	3	108.4308	1.196	4	108.2474	1.506	15	108.2698	1.327	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCCH)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H){1|O<2>,3|C<3>}	H(C[6]C[6]O[6]C)	107.6250	0.000	1	108.4308	1.196	4	108.2474	1.506	15	108.2698	1.327	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCHH)(H){1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H){1|H<1>,3|C<3>}	H(C[6]C[6]O[6]C)	107.0520	0.000	1	107.0520	0.000	1	108.2474	1.506	15	108.2698	1.327	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(OH)(H){1|C<4>,3|C<3>}	H(C[6]C[6]O[6]C)	108.4420	0.000	1	108.4420	0.000	1	108.2474	1.506	15	108.2698	1.327	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H){1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H){1|H<1>,3|C<3>}	H(C[6]C[6]O[6]C)	104.7610	0.000	1	106.8535	8.757	2	108.2474	1.506	15	108.2698	1.327	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H){1|H<1>,3|C<3>}	H(C[6]C[6]O[6]C)	108.9460	0.000	1	106.8535	8.757	2	108.2474	1.506	15	108.2698	1.327	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H){1|H<1>,3|C<3>}	H(C[6]C[6]O[6]C)	108.8753	0.276	6	108.8753	0.076	6	108.2474	1.506	15	108.2698	1.327	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(OC)(H){2|C<4>}	H(C[6]C[6]O[6]C)	108.6430	0.000	1	108.6430	0.000	1	108.6430	0.000	1	108.2698	1.327	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:3:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(O[6]C[6])(CCHO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]CH)(CCH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[5a,6]CH)(O[6]C[6])(CCHO)(H){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]CH)(CCH)(H){1|C<4>,1|N<3>,2|C<3>}	H(C[6]C[6]O[6]C)	108.2800	0.437	2	108.2800	0.191	2	108.2800	0.191	2	108.2800	0.191	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6]H)(C[6]O[6]CH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6]H)(C[6]O[6]CH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[6]O[6]C)	107.1590	0.564	2	107.1590	0.318	2	107.1590	0.318	2	107.9646	0.604	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(O[6]C[6,6])(CH3)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]CH)(O[6]C[6,6])(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]CH)(CH3)(H){2|C<3>,2|C<4>}	H(C[6]C[6]O[6]C)	108.1910	0.000	1	108.1910	0.000	1	107.7000	0.189	3	107.9646	0.604	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(O[6]C[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]CH)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CH3)(H){1|C<4>,3|C<3>}	H(C[6]C[6]O[6]C)	107.4545	0.131	2	107.4545	0.017	2	107.7000	0.189	3	107.9646	0.604	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[5,6])(CCCH)(H)	C[6](C[6]C[5,6]O)(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[5,6])(CCCH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]O)(C[6]O[6]CH)(CH3)(H){1|C<3>,2|C<4>}	H(C[6]C[6]O[6]C)	108.6400	0.000	2	108.6400	0.000	2	108.6400	0.000	2	107.9646	0.604	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	3:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]CH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCHH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]CH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]O[6]C)	109.0190	0.000	1	109.0190	0.000	1	109.0190	0.000	1	107.9646	0.604	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CHHN)(H)	C[6](C[6]O[6]CH)(N[6]C[6])(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]HH)(O[6]C[6])(CHHN)(H){1|C<3>,1|O<1>}	C[6](C[6]O[6]CH)(N[6]C[6])(H)2{2|C<3>}	H(C[6]C[6]O[6]C)	108.9350	0.415	3	108.9350	0.172	3	108.9350	0.172	3	107.8027	16.518	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]N[6])(CCHH)(H)	C[6](C[6]O[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]HH)(O[6]N[6])(CCHH)(H){1|C<3>,1|C<4>}	C[6](C[6]O[6]CH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]C)	109.6590	0.000	1	109.6590	0.000	1	109.6590	0.000	1	107.8027	16.518	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6])(CHHO)(H)	C[6](C[6]O[6]CH)(S[6]C[6])(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]S[6]HH)(O[6]C[6])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]O[6]CH)(S[6]C[6])(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.6137	1.348	4	108.6137	1.816	4	108.6137	1.816	4	107.8027	16.518	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[5,6])(CCHH)(H)	C[6](C[6]S[6]CH)(S[6]C[5,6])(H)2	H(C[6]C[6]S[6]C)	C[6](C[6]S[6]HH)(S[6]C[5,6])(CCHH)(H){1|C<3>,1|S<2>}	C[6](C[6]S[6]CH)(S[6]C[5,6])(H)2{1|C<3>,1|S<2>}	H(C[6]C[6]S[6]C)	108.8491	1.390	8	108.8491	1.932	8	107.0302	27.505	11	107.8027	16.518	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[5,6])(CH3)(H)	C[6](C[6]S[6]CH)(S[6]C[5,6])(H)2	H(C[6]C[6]S[6]C)	C[6](C[6]S[6]HH)(S[6]C[5,6])(CH3)(H){1|C<3>,1|S<2>}	C[6](C[6]S[6]CH)(S[6]C[5,6])(H)2{1|C<3>,1|S<2>}	H(C[6]C[6]S[6]C)	91.7167	0.000	1	91.7167	0.000	1	107.0302	27.505	11	107.8027	16.518	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[5,6])(CHHO)(H)	C[6](C[6]S[6]CH)(S[6]C[5,6])(H)2	H(C[6]C[6]S[6]C)	C[6](C[6]S[6]HH)(S[6]C[5,6])(CHHO)(H){1|C<3>,1|S<2>}	C[6](C[6]S[6]CH)(S[6]C[5,6])(H)2{1|C<3>,1|S<2>}	H(C[6]C[6]S[6]C)	107.0480	0.000	1	107.0480	0.000	1	107.0302	27.505	11	107.8027	16.518	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:2:1:1:	4:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[5,6])(CHHS)(H)	C[6](C[6]S[6]CH)(S[6]C[5,6])(H)2	H(C[6]C[6]S[6]C)	C[6](C[6]S[6]HH)(S[6]C[5,6])(CHHS)(H){1|C<3>,1|S<2>}	C[6](C[6]S[6]CH)(S[6]C[5,6])(H)2{1|C<3>,1|S<2>}	H(C[6]C[6]S[6]C)	107.7750	0.000	1	107.7750	0.000	1	107.0302	27.505	11	107.8027	16.518	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:2:3:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)(O[6]C[6])(CCH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]CH)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>}	C[6](C[6]O[6]CH)(O[6]C[6])(CCH)(H){1|O<2>,2|C<4>}	H(C[6]C[6]O[6]C)	107.1110	0.000	1	107.1110	0.000	1	107.1110	0.000	1	107.1110	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:2:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(O[6]C[6])(CHHO)(H)	C[6](C[6]O[6]CH)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]CH)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>}	C[6](C[6]O[6]CH)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>}	H(C[6]C[6]O[6]C)	104.9565	0.535	2	104.9565	0.287	2	104.9565	0.287	2	107.7545	4.073	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:2:4:1:	4:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]S[6]CH)(S[6]C[5,6])(CCHH)(H)	C[6](C[6]S[6]CH)(S[6]C[5,6])(CCHH)(H)	H(C[6]C[6]S[6]C)	C[6](C[6]S[6]CH)(S[6]C[5,6])(CCHH)(H){1|C<3>,1|S<2>}	C[6](C[6]S[6]CH)(S[6]C[5,6])(CCHH)(H){1|C<3>,1|S<2>}	H(C[6]C[6]S[6]C)	105.9260	0.191	5	105.9260	0.037	5	107.7822	4.033	202	107.7545	4.073	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:2:4:1:	4:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]S[6]CH)(S[6]C[5,6])(CH3)(H)	C[6](C[6]S[6]CH)(S[6]C[5,6])(CH3)(H)	H(C[6]C[6]S[6]C)	C[6](C[6]S[6]CH)(S[6]C[5,6])(CH3)(H){1|C<3>,1|S<2>}	C[6](C[6]S[6]CH)(S[6]C[5,6])(CH3)(H){1|C<3>,1|S<2>}	H(C[6]C[6]S[6]C)	107.8564	2.114	171	107.8564	4.471	171	107.7822	4.033	202	107.7545	4.073	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:2:4:1:	4:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]S[6]CH)(S[6]C[5,6])(CHHO)(H)	C[6](C[6]S[6]CH)(S[6]C[5,6])(CHHO)(H)	H(C[6]C[6]S[6]C)	C[6](C[6]S[6]CH)(S[6]C[5,6])(CHHO)(H){1|C<3>,1|S<2>}	C[6](C[6]S[6]CH)(S[6]C[5,6])(CHHO)(H){1|C<3>,1|S<2>}	H(C[6]C[6]S[6]C)	106.7995	0.879	4	106.7995	0.772	4	107.7822	4.033	202	107.7545	4.073	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:2:4:1:	4:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]S[6]CH)(S[6]C[6])(CH3)(H)	C[6](C[6]S[6]CH)(S[6]C[6])(CH3)(H)	H(C[6]C[6]S[6]C)	C[6](C[6]S[6]CH)(S[6]C[6])(CH3)(H){1|C<3>,1|S<2>}	C[6](C[6]S[6]CH)(S[6]C[6])(CH3)(H){1|C<3>,1|S<2>}	H(C[6]C[6]S[6]C)	107.8065	1.117	22	107.8065	1.247	22	107.7822	4.033	202	107.7545	4.073	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:2:4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]O[6]CC)(O[6]C[6])(CHHO)(H)	C[6](C[6]O[6]CH)(O[6]C[6])(CH3)2	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]CC)(O[6]C[6])(CHHO)(H){3|C<4>}	C[6](C[6]O[6]CH)(O[6]C[6])(CH3)2{1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	109.5370	0.286	2	109.5370	0.082	2	109.5370	0.082	2	109.5370	0.082	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]O[5]C)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6]C[5]O[6]H)(C[6]C[6,6a]O)(H)2	H(C[6]C[5]C[6]O[6])	C[6](C[5]C[5]O[5]C)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]C[5]O[6]H)(C[6]C[6,6a]O)(H)2{1|C<4>,1|O<2>,3|C<3>}	H(C[6]C[5]C[6]O[6])	108.9462	0.183	4	108.9462	0.033	4	108.9462	0.033	4	108.5125	2.753	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)(O[6]C[6])(CC[5]HH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(F)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]FF)(O[6]C[6])(CC[5]HH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(F)2{1|C<3>,1|H<1>}	H(C[6]C[6]O[6]C)	107.3670	0.000	1	107.3670	0.000	1	107.3670	0.000	1	108.5125	2.753	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	109.2750	0.000	1	109.2750	0.000	1	108.4826	1.099	23	108.5125	2.753	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	108.9525	0.100	2	108.9525	0.010	2	108.4826	1.099	23	108.5125	2.753	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H)	C[6](C[6]O[6]CH)(C[6]O[6]C)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]O[6]CH)(C[6]O[6]C)(H)2{1|C<4>}	H(C[6]C[6]O[6]C)	107.3920	0.000	1	107.3920	0.000	1	108.4826	1.099	23	108.5125	2.753	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CC3)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CC3)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]O[6]C)	107.4550	0.001	2	107.4550	0.000	2	108.4826	1.099	23	108.5125	2.753	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	109.2410	0.000	1	108.8753	0.241	3	108.4826	1.099	23	108.5125	2.753	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]O[6]C)	108.3180	0.000	1	108.8753	0.241	3	108.4826	1.099	23	108.5125	2.753	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){2|C<3>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	109.0670	0.000	1	108.8753	0.241	3	108.4826	1.099	23	108.5125	2.753	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]N)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]N)(H)2{3|C<4>}	H(C[6]C[6]O[6]C)	108.0350	0.000	1	108.0350	0.000	1	108.4826	1.099	23	108.5125	2.753	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<2>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.8185	0.063	2	108.2057	1.129	3	108.4826	1.099	23	108.5125	2.753	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	106.9800	0.000	1	108.2057	1.129	3	108.4826	1.099	23	108.5125	2.753	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H)	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]O[6]C)	108.7920	0.000	1	108.7920	0.000	1	108.4826	1.099	23	108.5125	2.753	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]O[6]C)	108.9682	0.197	4	108.9682	0.039	4	108.4826	1.099	23	108.5125	2.753	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]O[6]C)	109.4970	0.000	1	109.4970	0.000	1	108.4826	1.099	23	108.5125	2.753	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]O[6]C)	105.0580	0.000	1	105.0580	0.000	1	108.4826	1.099	23	108.5125	2.753	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CO)(H)	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CO)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]O[6]C)	108.2250	0.000	1	108.2250	0.000	1	108.4826	1.099	23	108.5125	2.753	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]O[6]C)	109.0380	0.000	1	109.0380	0.000	1	108.4826	1.099	23	108.5125	2.753	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CH)(C[6]N[6]O)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|N<3>,2|O<1>}	C[6](C[6]O[6]CH)(C[6]N[6]O)(H)2{2|C<3>}	H(C[6]C[6]O[6]C)	109.8570	0.000	1	109.8570	0.000	1	108.4826	1.099	23	108.5125	2.753	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6,6])(CClHH)(H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]HH)(O[6]C[6,6])(CClHH)(H){1|S<4>,3|C<4>}	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	109.0100	0.000	1	109.0100	0.000	1	108.4668	5.846	18	108.5125	2.753	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]HH)(O[6]C[6])(CCHH)(H){4|C<4>}	C[6](C[6]O[6]CH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.8335	0.295	2	108.8335	0.087	2	108.4668	5.846	18	108.5125	2.753	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]HH)(O[6]C[6])(CCHH)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.6540	0.000	1	108.6540	0.000	1	108.4668	5.846	18	108.5125	2.753	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CClHH)(H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]HH)(O[6]C[6])(CClHH)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.3740	0.000	1	108.7660	0.684	3	108.4668	5.846	18	108.5125	2.753	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CClHH)(H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]HH)(O[6]C[6])(CClHH)(H){1|S<4>,2|C<3>}	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]O[6]C)	108.2080	0.000	1	108.7660	0.684	3	108.4668	5.846	18	108.5125	2.753	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CClHH)(H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]HH)(O[6]C[6])(CClHH)(H){1|S<4>,3|C<4>}	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	109.7160	0.000	1	108.7660	0.684	3	108.4668	5.846	18	108.5125	2.753	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]O[6]CH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	107.4610	0.000	1	108.6843	1.127	3	108.4668	5.846	18	108.5125	2.753	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H){1|H<1>,3|C<4>}	C[6](C[6]O[6]CH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	109.2960	0.093	2	108.6843	1.127	3	108.4668	5.846	18	108.5125	2.753	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CH)(N[6]C[6]H)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H){1|C<4>,3|H<1>}	C[6](C[6]O[6]CH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	108.8680	0.000	1	108.8680	0.000	1	108.4668	5.846	18	108.5125	2.753	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	109.4550	0.176	3	109.4550	0.031	3	108.4668	5.846	18	108.5125	2.753	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CHHN)(H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]HH)(O[6]C[6])(CHHN)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	109.8090	0.000	1	104.4393	57.667	2	108.4668	5.846	18	108.5125	2.753	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CHHN)(H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]HH)(O[6]C[6])(CHHN)(H){1|S<4>,2|C<3>}	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]O[6]C)	99.0696	0.000	1	104.4393	57.667	2	108.4668	5.846	18	108.5125	2.753	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CHHO)(H)	C[6](C[6]O[6]CH)(N[6]C[6]H)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]HH)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]O[6]CH)(N[6]C[6]H)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	109.2960	0.000	1	109.2960	0.000	1	108.4668	5.846	18	108.5125	2.753	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CHHO)(H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]HH)(O[6]C[6])(CHHO)(H){1|O<2>,1|S<4>,2|C<4>}	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	109.3130	0.000	1	109.3130	0.000	1	108.4668	5.846	18	108.5125	2.753	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:1:1:	4:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(CH3)(H)	C[6](C[6]S[6]CH)(C[6]N[6]O)(H)2	H(C[6]C[6]S[6]C)	C[6](C[6]C[6]HH)(S[6]C[6])(CH3)(H){1|N<3>,2|O<1>}	C[6](C[6]S[6]CH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]S[6]C)	109.4350	0.000	1	109.4350	0.000	1	109.4350	0.000	1	108.5125	2.753	47	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	109.9330	0.000	1	109.9330	0.000	1	108.9072	0.727	13	108.9072	0.727	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H){1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	108.3500	0.000	1	108.3500	0.000	1	108.9072	0.727	13	108.9072	0.727	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]O[6]CH)(C[6]C[6]C)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]O[6]CH)(C[6]C[6]C)(OH)(H){1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	109.1350	0.000	1	109.1350	0.000	1	108.9072	0.727	13	108.9072	0.727	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	109.7640	0.000	1	109.4350	0.155	5	108.9072	0.727	13	108.9072	0.727	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,1|N<3>}	H(C[6]C[6]O[6]C)	109.3230	0.000	1	109.4350	0.155	5	108.9072	0.727	13	108.9072	0.727	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	109.6660	0.000	1	109.4350	0.155	5	108.9072	0.727	13	108.9072	0.727	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){2|C<3>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	109.2110	0.587	2	109.4350	0.155	5	108.9072	0.727	13	108.9072	0.727	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC[6a])(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC[6a])(H){1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	107.6500	0.000	2	107.6500	0.000	2	108.9072	0.727	13	108.9072	0.727	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H){1|C<3>,1|H<1>}	H(C[6]C[6]O[6]C)	107.5110	0.000	1	108.3050	1.261	2	108.9072	0.727	13	108.9072	0.727	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H){1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	109.0990	0.000	1	108.3050	1.261	2	108.9072	0.727	13	108.9072	0.727	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]O[6]CH)(C[6]C[6]N)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]O[6]CH)(C[6]C[6]N)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]C)	109.2910	0.000	1	109.2910	0.000	1	108.9072	0.727	13	108.9072	0.727	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:3:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(O[6]C[6])(CHHO)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(N[5]C[5]2)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]N[5]H)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(N[5]C[5]2)(H){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	H(C[6]C[6]O[6]C)	108.9885	0.561	2	108.9885	0.314	2	108.9885	0.314	2	108.9885	0.314	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[3x6])(CH3)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[3x6])(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)(H){2|C<4>}	H(C[6]C[6]O[6]C)	109.1100	0.000	1	109.1100	0.000	1	107.7142	4.847	16	107.7830	4.242	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	109.3517	0.424	3	109.3517	0.179	3	107.7142	4.847	16	107.7830	4.242	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	107.7190	0.000	1	107.7190	0.000	1	107.7142	4.847	16	107.7830	4.242	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CCHH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<4>,2|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(CCHH)(H){1|Cl<1>,1|C<3>,1|C<4>}	H(C[6]C[6]O[6]C)	108.9990	0.000	1	108.9990	0.000	1	107.7142	4.847	16	107.7830	4.242	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<3>,2|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){2|C<3>}	H(C[6]C[6]O[6]C)	105.8230	0.000	1	107.8787	2.943	8	107.7142	4.847	16	107.7830	4.242	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<4>,2|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	107.1550	2.013	3	107.8787	2.943	8	107.7142	4.847	16	107.7830	4.242	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<4>,2|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,2|C<4>}	H(C[6]C[6]O[6]C)	108.9355	0.862	4	107.8787	2.943	8	107.7142	4.847	16	107.7830	4.242	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CC[6]CH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CC[6]CH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>}	H(C[6]C[6]O[6]C)	103.2575	0.398	2	103.2575	0.158	2	107.7142	4.847	16	107.7830	4.242	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|O<2>,3|H<1>,5|C<3>}	H(C[6]C[6]O[6]C)	108.3680	0.000	1	108.7220	0.251	2	108.8327	0.162	3	107.7830	4.242	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCHH)(H){1|H<1>,1|P<4>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H){3|H<1>,5|C<3>}	H(C[6]C[6]O[6]C)	109.0760	0.000	1	108.7220	0.251	2	108.8327	0.162	3	107.7830	4.242	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6]O[6]C)	109.0540	0.000	1	109.0540	0.000	1	108.8327	0.162	3	107.7830	4.242	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:4:1:	4:	C[6]-4:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:Br-1:	C[6]-4:	C[6](C[6]C[6]BrC)(O[6]C[6,6a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6,6a]O)(CH3)(Br)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]BrC)(O[6]C[6,6a])(C[6]C[6]2H)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>,3|C<3>}	C[6](C[6]C[6]O[6]H)(C[6]C[6,6a]O)(CH3)(Br){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2O[6])	105.7340	0.000	1	105.7340	0.000	1	105.7340	0.000	1	107.7830	4.242	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:3:4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H){1|C<3>,2|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)2{1|C<3>,1|H<1>}	H(C[6]C[6]O[6]C)	108.0890	0.037	2	108.0890	0.001	2	108.0890	0.001	2	108.0890	0.001	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[3]-4:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3]C[3]O[3]H)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6]C[3]O[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[3]C[6]O[6])	C[6](C[3]C[3]O[3]H)(O[6]C[6,6a])(C[6]C[6]HH)(H){2|C<3>,4|H<1>}	C[6](C[6]C[3]O[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[3]C[6]O[6])	108.8810	0.000	1	108.8810	0.000	1	108.8810	0.000	1	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]S[6])(CCHH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6]HH)(N[6]S[6])(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]N[6]CH)(H)2{1|C<4>,1|O<2>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]C)	108.9940	0.045	2	108.9940	0.002	2	108.9940	0.002	2	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-2:C-4:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(N[6]C[6])(CH3)(H)	C[6](C[6]C[6a]O[6]H)(C[6]N[6]CH)(Cl)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]ClH)(N[6]C[6])(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]N[6]CH)(Cl)(H){3|C<3>}	H(C[6]C[6]N[6]C)	107.4000	0.737	2	107.4000	0.543	2	107.4000	0.543	2	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[3x6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[3x6]HI)(O[6]C[6])(CH3)(H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]O[6]CH)(H)(I)	H(C[6]C[6]O[6]C)	C[6](C[6]C[3x6]HI)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]O[6]CH)(H)(I){1|H<1>,5|C<3>}	H(C[6]C[6]O[6]C)	108.8690	0.000	1	108.8690	0.000	1	108.8690	0.000	1	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6,6])(CH3)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[5,6]HH)(O[6]C[6,6])(CH3)(H){2|O<2>,3|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]O[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	109.6570	0.021	6	109.6570	0.000	6	109.4302	1.366	11	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6,6])(CH3)(H)	C[6](C[5,6]C[6,6]N[5]S[5])(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[5,6]HH)(O[6]C[6,6])(CH3)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,1|S<2>}	C[6](C[5,6]C[6,6]N[5]S[5])(C[6]O[6]CH)(H)2{1|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6]O[6]C)	109.6480	0.000	1	109.6480	0.000	1	109.4302	1.366	11	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCCO)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCCO)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]C)	111.4850	0.000	1	111.4850	0.000	1	109.4302	1.366	11	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCHH)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]C)	107.3430	0.273	2	107.3430	0.074	2	109.4302	1.366	11	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]O[6]C)	109.9710	0.000	1	109.9710	0.000	1	109.4302	1.366	11	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[5,6]HI)(O[6]C[6])(CCHH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]O[6]CH)(H)(I)	H(C[6]C[6]O[6]C)	C[6](C[6]C[5,6]HI)(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]O[6]CH)(H)(I){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]C)	109.4450	0.054	2	109.4450	0.003	2	109.4450	0.003	2	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	106.3640	0.000	1	106.3640	0.000	1	108.4178	2.368	21	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(CHHO)(H)	C[6](C[6,6]C[6]S[6]2)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(CHHO)(H){1|O<2>,2|C<4>,2|S<2>}	C[6](C[6,6]C[6]S[6]2)(C[6]O[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]O[6]C)	109.7607	0.687	3	109.7607	0.472	3	108.4178	2.368	21	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CC3)(H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CC3)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6]2)(C[6]O[6]CH)(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]C)	108.4990	0.000	1	108.4990	0.000	1	108.4178	2.368	21	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCCO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCCO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]2H)(C[6]O[6]CH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[6]O[6]C)	107.5890	1.358	4	107.5890	1.845	4	108.4178	2.368	21	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[6]O[6]C)	106.9150	0.000	1	106.9150	0.000	1	108.4178	2.368	21	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]S)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]S)(C[6]O[6]CH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6]O[6]C)	109.4430	0.300	2	109.4430	0.090	2	108.4178	2.368	21	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]O[6]C)	107.5465	2.398	2	107.5465	5.749	2	108.4178	2.368	21	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHO)(H)	C[6](C[6,6]C[6,6]2C)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHO)(H){1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]O[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.4050	0.000	1	108.4050	0.000	1	108.4178	2.368	21	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCl3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCl3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]C)	107.9060	0.583	2	107.9060	0.339	2	108.4178	2.368	21	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCl3)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCl3)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]O[6]C)	107.8410	0.000	1	107.8410	0.000	1	108.4178	2.368	21	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	110.4830	2.654	2	109.7733	5.034	3	108.4178	2.368	21	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	108.3540	0.000	1	109.7733	5.034	3	108.4178	2.368	21	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(Br)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]BrH)(O[6]C[6])(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(Br)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	107.7180	0.000	1	107.7180	0.000	1	108.2810	0.634	2	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Br)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]BrH)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Br)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.8440	0.000	1	108.8440	0.000	1	108.2810	0.634	2	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Cl)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CCHH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Cl)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	109.1660	0.000	1	109.1660	0.000	1	108.7230	0.130	6	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Cl)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]ClH)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Cl)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.6344	0.322	5	108.6344	0.104	5	108.7230	0.130	6	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]FF)(C[6]O[6]CH)(F)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]FF)(O[6]C[6])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	C[6](C[6]C[6]FF)(C[6]O[6]CH)(F)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.0255	1.077	6	109.1430	1.063	7	109.2101	0.947	8	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]FF)(C[6]O[6]CH)(F)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]FF)(O[6]C[6])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	C[6](C[6]C[6]FF)(C[6]O[6]CH)(F)2{1|C<4>,2|F<1>}	H(C[6]C[6]O[6]C)	109.8480	0.000	1	109.1430	1.063	7	109.2101	0.947	8	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(F)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]FF)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(F)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.6800	0.000	1	109.6800	0.000	1	109.2101	0.947	8	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]FH)(C[6]O[6]CH)(F)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]FH)(O[6]C[6])(CHHO)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]O[6]CH)(F)(H){1|C<4>,1|F<1>,1|H<1>}	H(C[6]C[6]O[6]C)	109.3868	0.131	4	109.3092	0.043	5	109.1520	0.183	6	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]FH)(C[6]O[6]CH)(F)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]FH)(O[6]C[6])(CHHO)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]O[6]CH)(F)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.9990	0.000	1	109.3092	0.043	5	109.1520	0.183	6	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(F)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]FH)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(F)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.3660	0.000	1	108.3660	0.000	1	109.1520	0.183	6	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	109.2130	0.000	1	109.1430	0.010	2	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|O<2>,2|C<4>}	H(C[6]C[6]O[6]C)	109.0730	0.000	1	109.1430	0.010	2	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHH)(H)	C[6](C[6]N[5,6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]O[6]C)	109.0920	0.000	1	109.0920	0.000	1	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHO)(H)	C[6](C[6]C[5,6]CH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]O[6]C)	108.6120	0.000	1	108.7335	0.030	2	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHO)(H)	C[6](C[6]C[5,6]CH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	108.8550	0.000	1	108.7335	0.030	2	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CC[6]HH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CC[6]HH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	109.9780	0.154	2	109.9780	0.024	2	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H){1|H<1>,1|N<2>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	106.5160	0.000	1	108.1245	5.175	2	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	109.7330	0.000	1	108.1245	5.175	2	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	109.0620	0.000	1	108.6889	2.906	8	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,1|O<1>}	H(C[6]C[6]O[6]C)	109.4580	0.000	1	108.6889	2.906	8	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	104.9250	0.000	1	108.6889	2.906	8	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H){1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.9250	0.000	1	108.6889	2.906	8	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.7183	0.237	3	108.6889	2.906	8	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	110.9860	0.000	1	108.6889	2.906	8	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CHHO)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	109.2020	0.000	1	109.2020	0.000	1	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCCO)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCCO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{3|C<4>}	H(C[6]C[6]O[6]C)	107.9219	0.334	7	107.9219	0.111	7	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCCO)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCCO)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	108.3895	0.325	2	108.3895	0.105	2	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{2|C<3>}	H(C[6]C[6]O[6]C)	108.9580	0.000	1	109.3530	0.112	5	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.4518	0.290	4	109.3530	0.112	5	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(H)	C[6](C[6]N[6,6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]O[6]CH)(H)2{2|C<4>}	H(C[6]C[6]O[6]C)	106.9570	1.861	2	106.9570	3.464	2	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CC[6]HH)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CC[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2{1|C<4>}	H(C[6]C[6]O[6]C)	109.2070	0.000	1	109.2070	0.000	1	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	108.9455	0.098	2	108.9890	0.006	4	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	109.0650	0.000	1	108.9890	0.006	4	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{1|O<2>,2|C<4>}	H(C[6]C[6]O[6]C)	109.0000	0.000	1	108.9890	0.006	4	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	107.5780	0.000	1	107.5780	0.000	1	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{1|O<2>,2|C<4>}	H(C[6]C[6]O[6]C)	107.0380	0.000	1	107.0380	0.000	1	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	109.3928	0.340	4	109.3928	0.115	4	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.7450	0.000	1	108.7450	0.000	1	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CBrCH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CBrCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	109.4005	0.240	2	109.4005	0.057	2	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CBrHH)(H)	C[6](C[6]C[3x6]N[6]H)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CBrHH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]C[3x6]N[6]H)(C[6]O[6]CH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]O[6]C)	107.4820	0.000	1	107.4820	0.000	1	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CBrHH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CBrHH)(H){1|B<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	109.4620	0.000	1	109.4620	0.000	1	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	107.0695	0.216	2	106.9983	0.839	9	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	107.2800	0.870	2	106.9983	0.839	9	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	106.8572	1.187	5	106.9983	0.839	9	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H)	C[6](C[6]N[6]CH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|S<4>}	H(C[6]C[6]O[6]C)	108.6930	0.000	1	108.6930	0.000	1	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H)	C[6](C[6]O[6]CH)2(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]O[6]CH)2(H)2{1|C<4>}	H(C[6]C[6]O[6]C)	108.8380	0.000	1	108.8380	0.000	1	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCO)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{2|C<3>}	H(C[6]C[6]O[6]C)	108.3820	0.000	1	108.5045	0.030	2	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCO)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCO)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	108.6270	0.000	1	108.5045	0.030	2	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCO)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,1|O<1>}	H(C[6]C[6]O[6]C)	106.0930	0.000	1	106.0930	0.000	1	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[5]C[6]H)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]O[6]CH)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	108.3680	0.000	1	108.3680	0.000	1	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]BrH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|Br<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]O[6]CH)(H)2{1|Br<1>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	111.2340	0.000	1	111.2340	0.000	1	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]CC)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]O[6]CH)(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	108.5080	0.000	1	108.5080	0.000	1	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{2|C<3>}	H(C[6]C[6]O[6]C)	106.8705	0.101	2	106.8705	0.010	2	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]O[6]C)	108.6240	0.000	1	108.9010	0.164	15	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	108.9543	0.523	3	108.9010	0.164	15	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	109.3625	0.016	2	108.9010	0.164	15	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]C)	109.6480	0.000	1	108.9010	0.164	15	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.7296	0.242	7	108.9010	0.164	15	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.5480	0.000	1	108.9010	0.164	15	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	108.7250	0.242	6	109.0005	0.148	11	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	109.5130	0.000	2	109.0005	0.148	11	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.0260	0.000	1	109.0005	0.148	11	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	109.3020	0.161	2	109.0005	0.148	11	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	108.6745	0.445	2	108.8613	0.204	3	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(H)2{1|C<2>,3|C<3>}	H(C[6]C[6]O[6]C)	109.2350	0.000	1	108.8613	0.204	3	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2{1|C<4>}	H(C[6]C[6]O[6]C)	109.1300	0.000	1	109.1300	0.000	1	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)2(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]O[6]CH)2(H)2{1|C<4>}	H(C[6]C[6]O[6]C)	108.9547	0.178	3	109.4043	0.289	6	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)2(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]O[6]CH)2(H)2{1|C<4>}	H(C[6]C[6]O[6]C)	109.8540	0.289	3	109.4043	0.289	6	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHI)(H)	C[6](C[6]N[6]CH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHI)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]N[6]CH)(C[6]O[6]CH)(H)2{1|C<3>}	H(C[6]C[6]O[6]C)	108.7010	0.000	1	108.7010	0.000	1	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHN)(H)	C[6](C[6]N[6]CH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHN)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]O[6]C)	110.0610	0.000	1	110.0610	0.000	1	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHN)(H)	C[6](C[6]O[6]CH)2(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHN)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]O[6]CH)2(H)2{1|C<4>}	H(C[6]C[6]O[6]C)	108.9350	0.000	1	108.9350	0.000	1	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H)	C[6](C[6]N[6]CH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|S<4>}	H(C[6]C[6]O[6]C)	109.9200	0.000	1	109.9200	0.000	1	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H)	C[6](C[6]N[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]O[6]C)	107.7610	0.000	1	107.7610	0.000	1	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHS)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.4120	0.065	2	108.4120	0.004	2	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	108.2293	0.570	3	108.2293	0.325	3	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	106.6700	0.000	1	107.9982	1.037	11	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.4039	0.883	8	107.9982	1.037	11	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	107.0395	0.018	2	107.9982	1.037	11	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H)	C[6](C[6]C[6]OO)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]OO)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	109.7800	0.201	2	109.7800	0.040	2	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CClHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CClHH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.0770	0.542	4	109.0770	0.294	4	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCo2C)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCo2C)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]O[6]C)	108.9660	0.274	2	108.9177	0.045	3	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCo2C)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCo2C)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]O[6]C)	108.8210	0.000	1	108.9177	0.045	3	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	109.4935	0.069	2	109.1640	0.289	4	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	108.3720	0.000	1	109.1640	0.289	4	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	109.2970	0.000	1	109.1640	0.289	4	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	108.5930	0.000	1	108.7785	4.684	17	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]C)	108.6680	0.000	1	108.7785	4.684	17	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	105.9877	2.639	3	108.7785	4.684	17	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	114.8020	0.000	1	108.7785	4.684	17	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.0420	0.069	2	108.7785	4.684	17	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	109.0138	0.293	9	108.7785	4.684	17	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.1352	0.246	4	109.1352	0.060	4	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CC)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]O[6]CC)(C[6]O[6]CH)(H)2{1|C<4>}	H(C[6]C[6]O[6]C)	109.3340	0.296	3	109.3340	0.087	3	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HN)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HN)(H)2{1|C<4>}	H(C[6]C[6]O[6]C)	108.7882	0.249	5	108.7882	0.062	5	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CH)2(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]O[6]CH)2(H)2{1|C<4>}	H(C[6]C[6]O[6]C)	107.8945	0.145	2	109.0064	0.417	19	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CH)2(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|O<3>,2|H<1>}	C[6](C[6]O[6]CH)2(H)2{1|Re<6>,1|C<4>}	H(C[6]C[6]O[6]C)	110.1840	0.000	1	109.0064	0.417	19	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CH)2(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]O[6]CH)2(H)2{1|C<4>}	H(C[6]C[6]O[6]C)	109.1895	0.205	12	109.0064	0.417	19	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CH)2(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]CH)2(H)2{1|C<4>}	H(C[6]C[6]O[6]C)	108.7185	0.898	4	109.0064	0.417	19	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHI)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CHHI)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6]O[6]C)	108.5400	0.000	1	108.5400	0.000	1	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHI)(H)	C[6](C[6]N[6]CC)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CHHI)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CC)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]O[6]C)	108.0370	0.000	1	108.0370	0.000	1	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.5840	0.000	1	109.5840	0.000	1	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]OO)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]OO)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.5830	0.554	2	108.5830	0.307	2	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2{1|C<4>}	H(C[6]C[6]O[6]C)	108.8144	0.906	16	108.8144	0.821	16	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H)	C[6](C[6]O[6]CH)2(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]O[6]CH)2(H)2{1|C<4>}	H(C[6]C[6]O[6]C)	107.6790	0.000	1	107.6790	0.000	1	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHS)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CHHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	106.6025	0.192	2	106.6025	0.037	2	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CN[5]HH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CN[5]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	109.1260	0.000	1	109.1260	0.000	1	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CN[5]HH)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CN[5]HH)(H){1|O<2>,4|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2{1|C<4>}	H(C[6]C[6]O[6]C)	108.2100	0.000	1	108.2100	0.000	1	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]N[6,6])(CCHH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]N[6,6])(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]O[6]C)	110.0290	0.000	1	110.0290	0.000	1	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]O[6])(CCCO)(H)	C[6](C[6]C[6]CC)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]O[6])(CCCO)(H){3|C<4>}	C[6](C[6]C[6]CC)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[6]C[6]O[6]C)	109.0660	0.000	1	109.0660	0.000	1	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6])(CCHH)(H)	C[6](C[6]O[6]CH)2(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]P[6])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[6](C[6]O[6]CH)2(H)2{1|P<4>}	H(C[6]C[6]O[6]C)	108.9235	1.529	4	108.9235	2.337	4	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6])(CH3)(H)	C[6](C[6]O[6]CH)2(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]P[6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]CH)2(H)2{1|P<4>}	H(C[6]C[6]O[6]C)	106.3810	1.867	2	107.4737	3.525	4	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6])(CH3)(H)	C[6](C[6]O[6]CH)2(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]P[6])(CH3)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,1|S<1>}	C[6](C[6]O[6]CH)2(H)2{1|P<4>}	H(C[6]C[6]O[6]C)	108.5665	1.521	2	107.4737	3.525	4	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]S[6])(CC3)(H)	C[6](C[6]O[6]CH)2(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]S[6])(CC3)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	C[6](C[6]O[6]CH)2(H)2{1|S<4>}	H(C[6]C[6]O[6]C)	108.4705	0.100	2	108.4705	0.010	2	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]S[6])(CCCH)(H)	C[6](C[6]O[6]CH)2(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]S[6])(CCCH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]O[6]CH)2(H)2{1|S<4>}	H(C[6]C[6]O[6]C)	104.4950	0.000	1	104.4950	0.000	1	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]S[6])(CCHN)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]S[6])(CCHN)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2{1|S<3>}	H(C[6]C[6]O[6]C)	108.6300	0.000	1	108.6300	0.000	1	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]S[6])(CH3)(H)	C[6](C[6]O[6]CH)2(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]S[6])(CH3)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]O[6]CH)2(H)2{1|S<4>}	H(C[6]C[6]O[6]C)	105.5220	0.000	1	105.5220	0.000	1	108.6425	1.377	228	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[6]HI)(O[6]C[6])(CCHH)(H)	C[6](C[6]N[6]HH)(C[6]O[6]CH)(H)(I)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HI)(O[6]C[6])(CCHH)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]O[6]CH)(H)(I){1|C<3>,1|H<1>}	H(C[6]C[6]O[6]C)	102.0420	1.150	2	102.0420	1.322	2	103.9870	8.224	4	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[6]HI)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(H)(I)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HI)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(H)(I){1|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	103.9050	0.000	1	103.9050	0.000	1	103.9870	8.224	4	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[6]HI)(O[6]C[6])(CHHI)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)(I)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HI)(O[6]C[6])(CHHI)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)(I){1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]O[6]C)	107.9590	0.000	1	107.9590	0.000	1	103.9870	8.224	4	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(H)(O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(H)(O){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	107.1820	0.000	1	107.1820	0.000	1	107.1820	0.000	1	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)(N[6]C[6]HH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]HH)(O[6]C[6])(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]O[6]CH)(N[6]C[6]HH)(H)2{3|C<4>}	H(C[6]C[6]O[6]C)	109.4230	0.000	1	109.4230	0.000	1	108.3060	2.269	3	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CH)(N[6]C[6]CC)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]O[6]CH)(N[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	107.7475	1.633	2	107.7475	2.666	2	108.3060	2.269	3	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6])(CHHN)(H)	C[6](C[6]O[6]CH)(S[6]C[6]OO)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]S[6]HH)(O[6]C[6])(CHHN)(H){1|C<4>,3|O<1>}	C[6](C[6]O[6]CH)(S[6]C[6]OO)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	106.7980	0.000	1	106.7980	0.000	1	106.7980	0.000	1	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(O[6]C[6])(CHHN)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]N[5,6]HH)(O[6]C[6])(CHHN)(H){2|C<4>,3|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]O[6]CH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	109.2900	0.000	1	109.2900	0.000	1	109.2900	0.000	1	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H)	C[6](N[6]C[6]AlC)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H){1|Al<5>,1|H<1>,3|C<4>}	C[6](N[6]C[6]AlC)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	109.3490	0.431	3	109.3490	0.186	3	109.3490	0.186	3	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2Cr)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]O[6]H)(H)2	H(C[6]C[6]2O[6])	C[6](C[6]C[6]2Cr)(O[6]C[6,6a])(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]O[6]H)(H)2{1|Cr<9>,2|C<3>,2|C<4>}	H(C[6]C[6]2O[6])	109.3360	0.000	1	109.3360	0.000	1	109.3360	0.000	1	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(SC[6a]OO)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HS)(H)2	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]HH)(O[6]C[6,6])(SC[6a]OO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HS)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]S)	107.5140	1.101	4	107.5140	1.211	4	107.5140	1.211	4	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]S[6]CH)(H)2	H(C[6]C[6]S[6]C)	C[6](C[6]C[6]HH)(S[6]C[6])(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]S[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]S[6]C)	109.0540	0.284	2	109.0540	0.081	2	108.5490	0.237	7	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(CF3)(H)	C[6](C[6]C[6a]N[6]C)(C[6]S[6]CH)(H)2	H(C[6]C[6]S[6]C)	C[6](C[6]C[6]HH)(S[6]C[6])(CF3)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]C[6a]N[6]C)(C[6]S[6]CH)(H)2{3|C<3>}	H(C[6]C[6]S[6]C)	107.9775	0.088	2	107.9775	0.008	2	108.5490	0.237	7	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]S[6]CH)(H)2	H(C[6]C[6]S[6]C)	C[6](C[6]C[6]HH)(S[6]C[6])(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]S[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]S[6]C)	108.3230	0.000	1	108.3230	0.000	1	108.5490	0.237	7	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(CH3)(H)	C[6](C[6]S[6]CH)2(H)2	H(C[6]C[6]S[6]C)	C[6](C[6]C[6]HH)(S[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|S<3>}	C[6](C[6]S[6]CH)2(H)2{1|C<3>,1|O<1>}	H(C[6]C[6]S[6]C)	108.7285	0.235	2	108.7285	0.055	2	108.5490	0.237	7	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:1:1:	4:	C[6]-4:Se[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(Se[6]C[6])(CH3)(H)	C[6](C[6]Se[6]CH)2(H)2	H(C[6]Se[6]C[6]C)	C[6](C[6]C[6]HH)(Se[6]C[6])(CH3)(H){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]Se[6]CH)2(H)2{1|C<4>}	H(C[6]Se[6]C[6]C)	108.6655	0.204	2	108.6655	0.042	2	108.6655	0.042	2	108.6014	1.691	317	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:N[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(N[6]C[6])(CHHS)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[5,6]HO)(N[6]C[6])(CHHS)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]N[6]C)	109.8480	0.000	1	109.8480	0.000	1	109.8480	0.000	1	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]O[6]CH)(OSi)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[3,6]HO)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]O[6]CH)(OSi)(H){2|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	106.7803	0.230	3	106.7803	0.053	3	106.7803	0.053	3	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[4,6]HO)(O[6]C[6])(CCHH)(H)	C[6](C[4,6]C[4,6]N[4]C)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[4,6]HO)(O[6]C[6])(CCHH)(H){1|C<2>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[4,6]C[4,6]N[4]C)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]O[6]C)	105.1330	0.000	2	105.1330	0.000	2	105.1330	0.000	2	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(CCHN)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[5,6]HO)(O[6]C[6])(CCHN)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]CH)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	108.3510	0.000	1	108.3510	0.000	1	109.3641	1.038	8	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(CH3)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[5,6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]C)	109.3120	1.266	2	109.3120	1.602	2	109.3641	1.038	8	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(CH3)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC[6])(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[5,6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC[6])(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]C)	110.0575	0.063	2	110.0575	0.004	2	109.3641	1.038	8	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHI)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHI)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]C)	110.5250	0.000	1	110.5250	0.000	1	109.3641	1.038	8	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHO)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CH)(OC)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	107.8450	0.000	1	107.8450	0.000	1	109.3641	1.038	8	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]C)	109.4530	0.000	1	109.4530	0.000	1	109.3641	1.038	8	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[5]O[6]H)(O[6]C[6])(CCHO)(H)	C[6](C[5]C[5]N[5]H)(C[6]O[6]CH)(O[6]C[6])(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[5]O[6]H)(O[6]C[6])(CCHO)(H){1|H<1>,1|N<3>,1|O<2>,3|C<4>}	C[6](C[5]C[5]N[5]H)(C[6]O[6]CH)(O[6]C[6])(H){2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]O[6]C)	109.6040	1.438	3	109.6040	2.067	3	109.6040	2.067	3	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CH3)(H)	C[6](C[6,6]C[6,6]N[6]C)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6]C[6,6]N[6]C)(C[6]O[6]CH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	109.3430	0.000	1	109.3430	0.000	1	108.8306	0.334	10	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CH3)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CH3)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]O[6]CH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	108.9860	0.000	1	108.9860	0.000	1	108.8306	0.334	10	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CHHO)(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	107.7690	0.000	1	107.7690	0.000	1	108.8306	0.334	10	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CHHO)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	108.4147	0.297	3	108.4147	0.088	3	108.8306	0.334	10	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(O[6]C[6])(CCHH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]HO)(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]O[6]CH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	109.1670	0.000	1	109.1670	0.000	1	108.8306	0.334	10	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]CH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]C)	109.5700	0.000	1	109.5700	0.000	1	108.8306	0.334	10	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6,6]C[6,6]S[6]H)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C[6](C[6,6]C[6,6]S[6]H)(C[6]O[6]CH)(OH)(H){1|H<1>,1|O<2>,2|C<4>,2|O<1>}	H(C[6]C[6]O[6]C)	109.1135	0.271	2	109.1135	0.073	2	108.8306	0.334	10	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CCCH)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HN)(O[6]C[6])(CCCH)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NC)(H){1|C<4>}	H(C[6]C[6]O[6]C)	108.0030	0.000	1	108.0030	0.000	1	109.0291	0.305	9	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NN)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.2979	0.159	7	109.2979	0.025	7	109.0291	0.305	9	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NN)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NN)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]C)	108.1740	0.000	1	108.1740	0.000	1	109.0291	0.305	9	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[4,6])(CHHO)(H)	C[6](C[6]C[4,6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[4,6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	105.8660	2.768	2	105.8660	7.660	2	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CCCH)(H)	C[6](C[6]C[5,6]HH)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CCCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.6650	0.000	1	108.6650	0.000	1	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(OC[6])(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CCHO)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(OC[6])(H){1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	109.9370	0.000	1	109.9370	0.000	1	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CH3)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	106.5840	0.017	2	106.5840	0.000	2	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.1440	0.000	1	108.0110	1.782	5	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	109.5130	0.000	1	108.0110	1.782	5	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	107.8595	1.742	2	108.0110	1.782	5	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]C)	106.6790	0.000	1	108.0110	1.782	5	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	112.5400	0.000	3	111.1280	7.975	4	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	106.8920	0.000	1	111.1280	7.975	4	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.3470	0.000	1	108.3470	0.000	1	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.1610	0.000	1	109.1610	0.000	1	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.7575	2.179	2	108.7575	4.746	2	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.8890	0.000	1	108.8890	0.000	1	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|S<2>}	H(C[6]C[6]O[6]C)	108.9740	0.000	1	108.9580	0.010	3	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,2|O<2>}	H(C[6]C[6]O[6]C)	108.9500	0.140	2	108.9580	0.010	3	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H){1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	108.7900	0.000	1	108.7900	0.000	1	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]C)	109.9070	0.000	1	109.1989	0.401	7	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.8520	0.000	1	109.1989	0.401	7	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<4>,1|O<2>,1|S<3>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.4140	0.000	1	109.1989	0.401	7	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.8047	0.521	4	109.1989	0.401	7	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.8050	1.247	5	108.8267	0.686	11	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]C)	108.8870	0.000	1	108.8267	0.686	11	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.0830	0.231	2	108.8267	0.686	11	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.6720	0.436	3	108.8267	0.686	11	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.3375	0.695	2	108.3375	0.483	2	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.4060	0.000	1	108.4060	0.000	1	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC[6])(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CCCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	106.6780	0.000	1	106.6780	0.000	1	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCCH)(H)	C[6](C[6]N[6]CH)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CCCH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>}	H(C[6]C[6]O[6]C)	107.9030	0.000	1	107.9030	0.000	1	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCCO)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CCCO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H){1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	108.3665	0.039	2	108.3665	0.002	2	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCFF)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CCFF)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	106.1540	0.000	1	106.1540	0.000	1	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCFH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CCFH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.3900	0.000	1	109.3900	0.000	1	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	111.2830	0.000	1	108.6823	5.073	3	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	107.3820	0.014	2	108.6823	5.073	3	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OS)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OS)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.9575	0.037	2	108.9575	0.001	2	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	106.4100	0.000	1	108.6835	2.053	6	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.1382	1.008	5	108.6835	2.053	6	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	106.5450	0.000	1	107.9870	4.159	2	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H){1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	109.4290	0.000	1	107.9870	4.159	2	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC)(H){1|C<4>}	H(C[6]C[6]O[6]C)	107.9070	0.000	1	107.9070	0.000	1	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC[6])(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC[6])(H){1|C<4>}	H(C[6]C[6]O[6]C)	108.6600	0.000	1	108.6600	0.000	1	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHN)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHN)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.6370	0.000	1	108.6370	0.000	1	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]O[6]C)	109.0270	0.000	1	110.2165	2.830	2	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	111.4060	0.000	1	110.2165	2.830	2	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OH)(H){1|C<4>}	H(C[6]C[6]O[6]C)	109.1290	0.000	1	109.1770	0.005	2	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OH)(H){1|C<4>}	H(C[6]C[6]O[6]C)	109.2250	0.000	1	109.1770	0.005	2	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	C[6](C[6]O[6]CH)2(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]O[6]CH)2(OH)(H){1|C<4>}	H(C[6]C[6]O[6]C)	108.4930	0.000	1	108.4930	0.000	1	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	C[6](C[6]O[6]CH)2(OSi)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]CH)2(OSi)(H){1|C<3>}	H(C[6]C[6]O[6]C)	107.2610	1.270	2	107.2610	1.613	2	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CC[6]HO)(H)	C[6](C[6]N[6]HH)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CC[6]HO)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]O[6]CH)(OC)(H){1|C<3>,1|C<4>}	H(C[6]C[6]O[6]C)	111.1080	0.000	1	111.1080	0.000	1	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CF3)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CF3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.9180	0.137	2	108.9180	0.019	2	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CFHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CFHH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	110.3810	0.000	1	110.3810	0.000	1	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]CN)(C[6]O[6]CH)(OC[6])(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CN)(C[6]O[6]CH)(OC[6])(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	109.1780	0.000	1	109.1780	0.000	1	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]CO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	109.3670	0.335	3	109.3670	0.113	3	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC[6])(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC[6])(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	109.2310	0.000	1	109.2310	0.000	1	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	109.4310	0.404	3	109.1614	0.224	5	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.6470	0.000	1	109.1614	0.224	5	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.8670	0.000	1	109.1614	0.224	5	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	109.9760	0.000	1	109.9760	0.000	1	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.1480	0.000	1	108.2265	1.418	4	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	106.5010	0.000	1	108.2265	1.418	4	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.6285	0.325	2	108.2265	1.418	4	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.7215	0.112	2	109.0477	0.206	35	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.7050	0.156	2	109.0477	0.206	35	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.4316	0.469	7	109.0477	0.206	35	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.2043	0.591	3	109.0477	0.206	35	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]O[6]C)	108.4415	0.062	2	109.0477	0.206	35	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]C)	108.9960	0.000	1	109.0477	0.206	35	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.9386	0.364	14	109.0477	0.206	35	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	109.0445	0.279	2	109.0477	0.206	35	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	109.5375	0.453	2	109.0477	0.206	35	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]O[6]C)	109.7730	0.045	2	109.2260	0.196	28	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.2004	0.432	25	109.2260	0.196	28	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.7740	0.000	1	109.2260	0.196	28	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.8740	0.000	1	108.8740	0.000	1	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHI)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHI)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]C)	109.7670	0.000	1	109.5970	0.058	2	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHI)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHI)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.4270	0.000	1	109.5970	0.058	2	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.1665	0.568	2	108.1665	0.322	2	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.3910	0.369	2	109.3910	0.136	2	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.7940	0.386	3	108.7940	0.149	3	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]CO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]O[6]CH)(OH)(H){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	107.9530	0.000	1	107.9530	0.000	1	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]FF)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	C[6](C[6]C[6]FF)(C[6]O[6]CH)(OC)(H){1|C<4>,2|F<1>}	H(C[6]C[6]O[6]C)	108.7600	0.000	1	108.7600	0.000	1	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]FF)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	C[6](C[6]C[6]FF)(C[6]O[6]CH)(OH)(H){1|C<4>,2|F<1>}	H(C[6]C[6]O[6]C)	109.6820	0.000	1	109.6820	0.000	1	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.4702	0.709	10	108.4702	0.503	10	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	110.9485	2.147	2	110.9485	4.612	2	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	106.4230	0.000	1	107.4155	1.970	2	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H){2|C<3>}	H(C[6]C[6]O[6]C)	108.4080	0.000	1	107.4155	1.970	2	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	110.2130	0.000	1	109.4645	1.121	2	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.7160	0.000	1	109.4645	1.121	2	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.2620	0.000	1	108.8535	1.379	181	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.0080	0.000	1	108.8535	1.379	181	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>}	H(C[6]C[6]O[6]C)	107.5950	0.000	1	108.8535	1.379	181	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|I<1>}	H(C[6]C[6]O[6]C)	108.6950	0.000	1	108.8535	1.379	181	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|O<2>}	H(C[6]C[6]O[6]C)	108.3200	0.000	1	108.8535	1.379	181	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){2|C<3>}	H(C[6]C[6]O[6]C)	108.6760	0.348	2	108.8535	1.379	181	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]O[6]C)	108.5040	0.000	1	108.8535	1.379	181	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.6188	1.561	9	108.8535	1.379	181	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.0152	0.759	27	108.8535	1.379	181	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|Cl<1>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	108.2086	0.823	8	108.8535	1.379	181	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|O<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<3>}	H(C[6]C[6]O[6]C)	108.5490	0.000	1	108.8535	1.379	181	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]O[6]C)	109.0550	0.000	1	108.8535	1.379	181	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]C)	108.7130	0.000	1	108.8535	1.379	181	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.1122	1.164	23	108.8535	1.379	181	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.8430	0.549	2	108.8535	1.379	181	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.5760	0.000	1	108.8535	1.379	181	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|P<4>}	H(C[6]C[6]O[6]C)	108.6310	0.000	1	108.8535	1.379	181	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|F<1>,1|H<1>}	H(C[6]C[6]O[6]C)	109.1615	0.491	2	108.8535	1.379	181	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|I<1>}	H(C[6]C[6]O[6]C)	109.0800	0.000	1	108.8535	1.379	181	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]O[6]C)	108.1015	1.259	2	108.8535	1.379	181	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]C)	109.0058	1.564	11	108.8535	1.379	181	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<4>}	H(C[6]C[6]O[6]C)	108.7695	0.883	2	108.8535	1.379	181	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.9729	1.348	59	108.8535	1.379	181	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	107.9607	1.394	3	108.8535	1.379	181	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|N<3>,2|C<4>}	H(C[6]C[6]O[6]C)	109.1260	0.000	1	108.8535	1.379	181	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.6580	0.481	2	108.8535	1.379	181	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|Ir<6>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	107.6175	1.674	2	108.8535	1.379	181	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]C)	106.8060	0.273	2	108.8535	1.379	181	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.6743	1.001	10	108.8535	1.379	181	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|Pd<4>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.8940	1.216	2	108.8535	1.379	181	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<3>,1|H<1>}	H(C[6]C[6]O[6]C)	107.8850	0.000	1	109.2428	1.328	90	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.2230	0.000	1	109.2428	1.328	90	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]O[6]C)	109.1924	0.869	11	109.2428	1.328	90	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	107.8570	0.000	1	109.2428	1.328	90	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]O[6]C)	110.0770	0.000	1	109.2428	1.328	90	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.2759	1.197	75	109.2428	1.328	90	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.9780	0.000	1	108.9919	1.587	198	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]C)	108.9375	0.163	2	108.9919	1.587	198	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.0413	0.384	9	108.9919	1.587	198	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]O[6]C)	103.5430	0.000	1	108.9919	1.587	198	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.5690	0.000	1	108.9919	1.587	198	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]C)	109.4310	0.116	2	108.9919	1.587	198	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.9726	0.717	9	108.9919	1.587	198	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<3>}	H(C[6]C[6]O[6]C)	108.4110	0.535	2	108.9919	1.587	198	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]O[6]C)	109.4280	0.000	1	108.9919	1.587	198	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]C)	109.1932	0.504	11	108.9919	1.587	198	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<4>}	H(C[6]C[6]O[6]C)	109.0060	0.410	2	108.9919	1.587	198	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]O[6]C)	108.6280	0.000	1	108.9919	1.587	198	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.0347	1.310	153	108.9919	1.587	198	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.9960	0.000	1	108.9919	1.587	198	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]C)	108.2910	0.000	1	108.9919	1.587	198	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	105.8440	0.000	1	108.9919	1.587	198	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.5935	0.405	2	109.5935	0.164	2	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OH)(H){1|C<3>,1|H<1>}	H(C[6]C[6]O[6]C)	108.9545	0.548	2	108.6902	0.195	4	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]C)	108.4260	0.078	2	108.6902	0.195	4	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]O[6]CH)2(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]O[6]CH)2(OH)(H){1|C<4>}	H(C[6]C[6]O[6]C)	108.8480	0.000	1	108.8480	0.000	1	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHS)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHS)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.7560	0.000	1	109.7560	0.000	1	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHS)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OS)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHS)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	110.8965	1.637	2	110.8965	2.680	2	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CN[5]HH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CN[5]HH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.0143	0.865	3	109.0143	0.748	3	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CN[5]HH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CN[5]HH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.5660	0.000	1	109.5660	0.000	1	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CN[6]HH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CN[6]HH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.8080	0.628	2	109.8080	0.394	2	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CSeHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CSeHH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.8800	0.000	1	109.8800	0.000	1	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]P[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]P[6])(CHHO)(H){1|B<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|H<1>,1|O<2>,1|P<4>}	H(C[6]C[6]O[6]C)	107.9790	0.000	1	108.1163	0.020	3	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]P[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]P[6])(CHHO)(H){1|B<4>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|H<1>,1|O<2>,1|P<4>}	H(C[6]C[6]O[6]C)	108.1850	0.110	2	108.1163	0.020	3	108.9696	1.395	674	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(O[6]C[6])(CCHO)(H)	C[6](C[6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]O[6]H)(O[6]C[6])(CCHO)(H){1|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H){1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]O[6]C)	108.3390	0.000	1	108.3390	0.000	1	108.3390	0.000	1	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HS)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(SC[6a])(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HS)(O[6]C[6])(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(SC[6a])(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	107.9460	0.000	1	107.9460	0.000	1	107.9460	0.000	1	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:P-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]N[6])(PO3)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HP)(OS)(H)	H(C[6]C[6]O[6]P)	C[6](C[6]C[6]HO)(O[6]N[6])(PO3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HP)(OS)(H){1|N<3>,2|H<1>}	H(C[6]C[6]O[6]P)	110.6820	0.000	1	110.6820	0.000	1	110.6820	0.000	1	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:S-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(SC[6]NO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]HO)(O[6]C[6])(SC[6]NO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]S)	110.6030	0.000	1	110.6030	0.000	1	110.6030	0.000	1	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:1:	4:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(S[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]S[6]CH)(OH)(H)	H(C[6]C[6]S[6]C)	C[6](C[6]C[6]HO)(S[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]S[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]S[6]C)	107.6595	0.562	2	107.6595	0.316	2	107.6595	0.316	2	108.9555	1.417	716	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:2:2:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:C-2:C-2:	C[6]-4:	C[6](C[6]C[5,6]CC)(O[6]C[5,6])(CH3)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]O[6]CH)(CN)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[5,6]CC)(O[6]C[5,6])(CH3)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]O[6]CH)(CN)2{1|H<1>,1|N<2>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]C)	105.7750	0.000	1	105.7750	0.000	1	105.7750	0.000	1	105.7750	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CC3)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(CNO)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CC3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(CNO)(H){1|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	106.4790	0.000	1	106.4790	0.000	1	108.4954	2.722	5	108.4105	2.947	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(COO)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(COO)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.9530	0.000	1	108.9530	0.000	1	108.4954	2.722	5	108.4105	2.947	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(COO)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(COO)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	108.1750	0.000	1	108.1750	0.000	1	108.4954	2.722	5	108.4105	2.947	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(CNO)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(CNO)(H){1|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	110.9750	0.000	1	110.9750	0.000	1	108.4954	2.722	5	108.4105	2.947	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H)	C[6](C[6]N[6]HH)(C[6]O[6]CH)(COO)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H){1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]O[6]CH)(COO)(H){1|C<3>}	H(C[6]C[6]O[6]C)	107.8950	0.000	1	107.8950	0.000	1	108.4954	2.722	5	108.4105	2.947	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CBr3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NOO)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HN)(O[6]C[6])(CBr3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NOO)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	111.9340	0.000	1	111.9340	0.000	1	108.8857	2.969	12	108.4105	2.947	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HN)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.6660	0.000	1	109.6660	0.000	1	108.8857	2.969	12	108.4105	2.947	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NCH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NCH)(H){1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]O[6]C)	108.6470	0.000	1	108.6470	0.000	1	108.8857	2.969	12	108.4105	2.947	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H){1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]O[6]C)	108.5630	0.000	1	108.5630	0.000	1	108.8857	2.969	12	108.4105	2.947	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H)	C[6](C[6]C[6]N[6]H)(C[6]O[6]CH)(NCH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]N[6]H)(C[6]O[6]CH)(NCH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]O[6]C)	108.3830	0.000	1	108.3830	0.000	1	108.8857	2.969	12	108.4105	2.947	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NCC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NCC)(H){1|C<4>}	H(C[6]C[6]O[6]C)	109.3280	0.000	1	109.3280	0.000	1	108.8857	2.969	12	108.4105	2.947	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]CO)(C[6]O[6]CH)(NHS)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]O[6]CH)(NHS)(H){1|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	104.2760	0.000	1	104.2760	0.000	1	108.8857	2.969	12	108.4105	2.947	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NCC)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NCC)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	109.2430	0.000	1	109.2430	0.000	1	108.8857	2.969	12	108.4105	2.947	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(NOO)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(NOO)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	H(C[6]C[6]O[6]C)	109.7230	0.000	1	109.7230	0.000	1	108.8857	2.969	12	108.4105	2.947	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NCS)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NCS)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	109.1540	0.000	1	109.1540	0.000	1	108.8857	2.969	12	108.4105	2.947	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.8650	0.000	1	108.8650	0.000	1	108.8857	2.969	12	108.4105	2.947	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NHO)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NHO)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.8470	0.000	1	108.8470	0.000	1	108.8857	2.969	12	108.4105	2.947	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(O[6]C[6])(CF3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(N[5]C[5]2)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]N[5]H)(O[6]C[6])(CF3)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(N[5]C[5]2)(H){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	H(C[6]C[6]O[6]C)	106.3210	0.000	1	106.3210	0.000	1	106.3210	0.000	1	108.4105	2.947	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:3:1:	4:	C[6]-4:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]BrC)(O[6]C[6,6a])(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]O[6]H)(C[6]O[6]O)(H)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]BrC)(O[6]C[6,6a])(C[6]C[6]2H)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]O[6]H)(C[6]O[6]O)(H){1|Br<1>,1|C<4>,4|C<3>}	H(C[6]C[6]2O[6])	105.6960	0.000	1	105.6960	0.000	1	105.6960	0.000	1	108.4105	2.947	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:3:1:	4:	C[6]-4:Se[6]-2:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(Se[6]Se[6])(CHHO)(H)	C[6](C[6]Se[6]CH)(C[6]C[6]HN)(NHS)(H)	H(C[6]Se[6]C[6]C)	C[6](C[6]C[6]HN)(Se[6]Se[6])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]Se[6]CH)(C[6]C[6]HN)(NHS)(H){1|Se<2>,1|C<4>,1|H<1>}	H(C[6]Se[6]C[6]C)	107.7485	0.206	2	107.7485	0.042	2	107.7485	0.042	2	108.4105	2.947	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:3:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(COO)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CC)(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(COO)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	107.9140	0.000	1	107.9140	0.000	1	107.9140	0.000	1	107.7015	0.090	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:3:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(O[6]C[6])(CCHO)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(COO)(NCH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CN)(O[6]C[6])(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(COO)(NCH){1|C<4>}	H(C[6]C[6]O[6]C)	107.4890	0.000	1	107.4890	0.000	1	107.4890	0.000	1	107.7015	0.090	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(O[6]C[5,6])(CC[6]CH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[5,6]CH)(O[6]C[5,6])(CC[6]CH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]O[6]CH)(CH3)(H){2|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	107.9140	0.000	1	107.9140	0.000	1	107.9140	0.000	1	108.3975	2.086	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(CCCH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(CCCH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]CH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	108.8490	0.000	1	108.8490	0.000	1	108.5730	0.152	2	108.3975	2.086	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6])(CCHH)(H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]CH)(O[6]C[6])(CCHH)(H){1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]O)(C[6]O[6]CH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	108.2970	0.000	1	108.2970	0.000	1	108.5730	0.152	2	108.3975	2.086	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[3x6])(CH3)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[3x6])(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	109.2620	0.000	1	109.2620	0.000	1	108.3979	2.437	49	108.3975	2.086	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	108.0790	0.675	2	108.0790	0.455	2	108.3979	2.437	49	108.3975	2.086	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	109.3830	0.000	1	109.3830	0.000	1	108.3979	2.437	49	108.3975	2.086	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	109.1730	0.000	1	109.1730	0.000	1	108.3979	2.437	49	108.3975	2.086	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	107.8020	0.203	3	108.0840	0.177	9	108.3979	2.437	49	108.3975	2.086	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.2250	0.442	6	108.0840	0.177	9	108.3979	2.437	49	108.3975	2.086	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	108.9973	2.499	4	108.9973	6.247	4	108.3979	2.437	49	108.3975	2.086	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C[6](C[6]O[6]CH)2(CH3)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]CH)2(CH3)(H){1|C<3>}	H(C[6]C[6]O[6]C)	106.9360	0.000	1	108.6068	1.282	4	108.3979	2.437	49	108.3975	2.086	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C[6](C[6]O[6]CH)2(CH3)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]O[6]CH)2(CH3)(H){1|C<4>}	H(C[6]C[6]O[6]C)	109.1637	0.250	3	108.6068	1.282	4	108.3979	2.437	49	108.3975	2.086	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCN)(H)	C[6](C[6]O[6]CH)2(CH3)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCN)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]CH)2(CH3)(H){1|C<3>}	H(C[6]C[6]O[6]C)	106.6190	0.000	1	106.6190	0.000	1	108.3979	2.437	49	108.3975	2.086	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCO)(H)	C[6](C[6]N[6]CH)(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCO)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]O[6]CH)(CH3)(H){1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	107.6290	0.000	1	107.6290	0.000	1	108.3979	2.437	49	108.3975	2.086	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]CO)(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]O[6]CH)(CH3)(H){1|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	107.6040	0.259	2	107.6040	0.067	2	108.3979	2.437	49	108.3975	2.086	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	106.3450	0.000	1	106.3450	0.000	1	108.3979	2.437	49	108.3975	2.086	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	108.0516	0.895	5	108.1665	0.649	13	108.3979	2.437	49	108.3975	2.086	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	107.1700	0.366	2	108.1665	0.649	13	108.3979	2.437	49	108.3975	2.086	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	108.1485	0.466	2	108.1665	0.649	13	108.3979	2.437	49	108.3975	2.086	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	109.0070	0.269	2	108.1665	0.649	13	108.3979	2.437	49	108.3975	2.086	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.6275	0.517	2	108.1665	0.649	13	108.3979	2.437	49	108.3975	2.086	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.0190	0.000	1	109.0190	0.000	1	108.3979	2.437	49	108.3975	2.086	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CC[6]CH)(H)	C[6](C[6]O[6]CH)2(CH3)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CC[6]CH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]O[6]CH)2(CH3)(H){1|C<4>}	H(C[6]C[6]O[6]C)	108.1890	0.000	1	108.1890	0.000	1	108.3979	2.437	49	108.3975	2.086	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CF3)(H)	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CH)(CC[6a]HH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CF3)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CH)(CC[6a]HH)(H){2|C<3>,2|C<4>}	H(C[6]C[6]O[6]C)	107.9670	0.186	3	107.9670	0.034	3	108.3979	2.437	49	108.3975	2.086	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	116.5440	0.000	1	116.5440	0.000	1	108.3979	2.437	49	108.3975	2.086	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|C<3>,1|C<4>}	H(C[6]C[6]O[6]C)	108.7460	0.000	1	108.8485	0.021	2	108.3979	2.437	49	108.3975	2.086	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	108.9510	0.000	1	108.8485	0.021	2	108.3979	2.437	49	108.3975	2.086	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]P[6])(CCHH)(H)	C[6](C[6]C[6]HS)(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]P[6])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<4>}	C[6](C[6]C[6]HS)(C[6]O[6]CH)(CH3)(H){1|C<4>,1|H<1>,1|P<4>}	H(C[6]C[6]O[6]C)	107.0360	0.000	1	107.0360	0.000	1	108.3979	2.437	49	108.3975	2.086	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NPdHH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NPdHH)(H){1|C<4>,1|H<1>,1|H<2>}	H(C[6]C[6]O[6]C)	107.6980	0.000	1	108.4762	0.741	4	108.6389	0.466	7	108.3975	2.086	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NPdHH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NPdHH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.7357	0.841	3	108.4762	0.741	4	108.6389	0.466	7	108.3975	2.086	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NPtHH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NPtHH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.6235	0.025	2	108.6235	0.001	2	108.6389	0.466	7	108.3975	2.086	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NH3)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NH3)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.3200	0.000	1	109.3200	0.000	1	108.6389	0.466	7	108.3975	2.086	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:1:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6]C[6]HS)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(SC[6a]OO)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HS)(O[6]C[6])(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(SC[6a]OO)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	106.8210	0.000	1	106.8210	0.000	1	106.8210	0.000	1	108.3975	2.086	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:2:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(O[6]C[5,6])(CCHH)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(CH3)(OH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CO)(O[6]C[5,6])(CCHH)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(CH3)(OH){2|C<3>}	H(C[6]C[6]O[6]C)	108.0547	0.237	3	108.0547	0.056	3	107.6384	0.551	7	107.6384	0.551	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:2:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(OC)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CO)(O[6]C[6])(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(OC){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	106.7360	0.000	1	106.7360	0.000	1	107.6384	0.551	7	107.6384	0.551	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:2:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(OC)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CO)(O[6]C[6])(CCHH)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(OC){2|C<3>}	H(C[6]C[6]O[6]C)	107.5200	0.000	1	107.5200	0.000	1	107.6384	0.551	7	107.6384	0.551	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:2:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCHH)(OH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CO)(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCHH)(OH){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	106.5710	0.000	1	106.5710	0.000	1	107.6384	0.551	7	107.6384	0.551	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:2:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CCHO)(OH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CCHO)(OH){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.4780	0.000	1	108.4780	0.000	1	107.6384	0.551	7	107.6384	0.551	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(O[6]C[3x6])(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]O[6]CH)(CH3)(CCH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]CC)(O[6]C[3x6])(CCHH)(H){1|C<3>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]O[6]CH)(CH3)(CCH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.7740	0.000	1	108.7740	0.000	1	108.7740	0.000	1	108.7740	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(CCCH)(H)	C[6](C[6]O[6]CH)2(CH3)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CC)(O[6]C[6])(CCCH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]O[6]CH)2(CH3)2{1|C<4>}	H(C[6]C[6]O[6]C)	106.3830	0.000	1	106.3830	0.000	1	107.6391	0.994	8	107.6391	0.994	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)2{1|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	108.5860	0.000	1	108.5860	0.000	1	107.6391	0.994	8	107.6391	0.994	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HO)(CH3)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]O[6]CH)(C[6]O[6]HO)(CH3)2{1|C<4>}	H(C[6]C[6]O[6]C)	108.3670	0.000	1	108.3670	0.000	1	107.6391	0.994	8	107.6391	0.994	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)2(CH3)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]O[6]CH)2(CH3)2{1|C<4>}	H(C[6]C[6]O[6]C)	108.7730	0.000	1	108.7730	0.000	1	107.6391	0.994	8	107.6391	0.994	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(CF3)(H)	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CH)(CC[6a]HH)(CH3)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CC)(O[6]C[6])(CF3)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CH)(CC[6a]HH)(CH3){2|C<3>,2|C<4>}	H(C[6]C[6]O[6]C)	108.0560	0.000	1	108.0560	0.000	1	107.6391	0.994	8	107.6391	0.994	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCHH)(CH3)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CC)(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCHH)(CH3){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	106.5880	0.000	1	106.5880	0.000	1	107.6391	0.994	8	107.6391	0.994	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(CCCH)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CH3)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CC)(O[6]P[6])(CCCH)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CH3)2{1|P<4>}	H(C[6]C[6]O[6]C)	107.8750	0.000	1	107.1800	0.966	2	107.6391	0.994	8	107.6391	0.994	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:2:4:1:	4:4:4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(CCCH)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CH3)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CC)(O[6]P[6])(CCCH)(H){1|O<2>,1|S<1>,1|S<2>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CH3)2{1|P<4>}	H(C[6]C[6]O[6]C)	106.4850	0.000	1	107.1800	0.966	2	107.6391	0.994	8	107.6391	0.994	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	2:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	O[6]-2:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6,6a]O)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]O[6]H)(C[6]C[6,6a]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>,3|C<3>}	H(C[6]C[6]2H)	109.5293	0.178	4	109.5293	0.032	4	109.5293	0.032	4	109.5293	0.032	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:2:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:N[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)2	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)2{4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.4840	0.024	2	108.4840	0.001	2	108.4840	0.001	2	109.2517	1.126	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:2:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]N)(H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]N)(H)2{4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|N<2>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.3667	0.287	3	109.3667	0.082	3	109.2775	1.253	44	109.2517	1.126	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:2:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(H)2{4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(C[6]C[6]2H)	109.6345	0.243	4	109.2710	1.342	41	109.2775	1.253	44	109.2517	1.126	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:2:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(H)2{4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.2316	1.212	37	109.2710	1.342	41	109.2775	1.253	44	109.2517	1.126	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:2:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]S)(H)2	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]S)(H)2{4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]N[6]HH)(H){1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.2105	0.013	2	109.2105	0.000	2	109.2105	0.000	2	109.2517	1.126	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:2:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a]S)(H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a]S)(H)2{4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]HH)(H){1|F<1>,1|H<1>,1|S<4>,4|C<3>}	H(C[6]C[6]N[6]H)	109.4930	0.023	2	109.4930	0.001	2	109.4930	0.001	2	109.2517	1.126	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:2:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:O[6]-2:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]O)(H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]O)(H)2{4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(C[6]C[6]2H)	108.9750	0.000	1	109.1583	0.025	3	109.1583	0.025	3	109.1583	0.025	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:2:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:O[6]-2:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]O)(H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]O)(H)2{4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.2500	0.018	2	109.1583	0.025	3	109.1583	0.025	3	109.1583	0.025	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]C)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]C)(H)2{1|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.6920	0.054	3	108.7880	0.019	5	108.7880	0.019	5	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]C)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]C)(H)2{4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	H(C[6]C[6]2H)	108.9320	0.004	2	108.7880	0.019	5	108.7880	0.019	5	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[5a]H)(C[6]O[6]O)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[5a]H)(C[6]O[6]O)(H)2{1|O<2>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	108.1860	0.031	2	108.1860	0.001	2	108.1860	0.001	2	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]O)(H)2{1|O<2>,5|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.0935	0.054	2	109.0935	0.003	2	108.8693	0.205	22	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(H)2{1|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	108.5615	0.209	6	108.5615	0.044	6	108.8693	0.205	22	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(H)2	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.3925	0.187	2	108.9000	0.761	4	108.8693	0.205	22	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(H)2	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(H)2{1|N<2>,1|N<3>,2|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,2|N<2>,3|C<3>}	H(C[6]C[6]2H)	108.4075	1.131	2	108.9000	0.761	4	108.8693	0.205	22	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]C)(H)2	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]C)(H)2{1|S<2>,3|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.0110	0.008	2	109.0110	0.000	2	108.8693	0.205	22	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]C)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]C)(H)2{4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6]2H)	108.9158	0.168	6	108.9934	0.136	8	108.8693	0.205	22	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]C)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]C)(H)2{4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,1|S<2>,2|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.2260	0.817	2	108.9934	0.136	8	108.8693	0.205	22	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]O)(H)2{1|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1110	0.030	2	108.7970	0.350	8	108.8805	0.303	10	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]O)(H)2{4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6]2H)	108.6923	0.661	6	108.7970	0.350	8	108.8805	0.303	10	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]O)(H)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]O)(H)2{4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.2145	0.018	2	109.2145	0.000	2	108.8805	0.303	10	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[5a]H)(C[6]N[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[5a]H)(C[6]N[6]O)(H)2{1|H<1>,1|S<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.2110	0.058	2	109.2110	0.003	2	109.2110	0.003	2	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(H)2{1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	H(C[6]C[6]2H)	108.8890	0.018	2	108.0370	13.184	5	109.0197	1.470	46	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(H)2{1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,6|C<3>}	H(C[6]C[6]2H)	108.9740	0.000	1	108.0370	13.184	5	109.0197	1.470	46	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(H)2{1|Cl<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|H<1>,6|C<3>}	H(C[6]C[6]2H)	106.7165	6.850	2	108.0370	13.184	5	109.0197	1.470	46	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|H<1>,6|C<3>}	H(C[6]C[6]2H)	109.3460	0.106	4	109.1740	0.078	6	109.0197	1.470	46	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){4|H<1>,5|C<3>}	H(C[6]C[6]2H)	108.8300	0.023	2	109.1740	0.078	6	109.0197	1.470	46	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(H)2{1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	H(C[6]C[6]2H)	108.6300	0.000	1	108.6300	0.000	1	109.0197	1.470	46	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.6115	0.030	2	108.7937	0.021	6	109.0197	1.470	46	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(H)2{5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|H<1>,1|N<3>,1|S<2>,2|O<1>,3|C<3>}	H(C[6]C[6]2H)	108.9120	0.018	2	108.7937	0.021	6	109.0197	1.470	46	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(H)2{5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	H(C[6]C[6]2H)	108.8575	0.019	2	108.7937	0.021	6	109.0197	1.470	46	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.5742	0.144	10	109.5742	0.021	10	109.0197	1.470	46	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(H)2	C[6](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	H(C[6]C[6]2H)	108.9415	0.016	2	108.9415	0.000	2	109.0197	1.470	46	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.1315	0.062	2	109.0091	0.362	12	109.0197	1.470	46	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.9807	0.804	7	109.0091	0.362	12	109.0197	1.470	46	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	H(C[6]C[6]2H)	108.9937	0.176	3	109.0091	0.362	12	109.0197	1.470	46	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(H)2{4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.1372	0.257	4	109.1372	0.066	4	109.0197	1.470	46	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]C)(H)2	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]C)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.9873	0.569	4	108.9873	0.324	4	109.0598	0.207	6	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)2	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)2{4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.2050	0.042	2	109.2050	0.002	2	109.0598	0.207	6	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2465	0.147	4	109.2465	0.022	4	109.2465	0.022	4	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]C)(H)2	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,6|C<3>}	H(C[6]C[6]2H)	108.2888	0.663	4	108.5818	0.536	6	108.7966	0.920	14	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]C)(H)2	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.1680	0.574	2	108.5818	0.536	6	108.7966	0.920	14	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](N[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](N[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,3|O<1>,4|C<3>}	H(C[6]C[6]2H)	108.3445	0.012	2	108.3445	0.000	2	108.7966	0.920	14	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.8830	0.017	2	109.8830	0.000	2	108.7966	0.920	14	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	107.5780	0.221	2	108.8017	2.078	4	108.7966	0.920	14	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	110.0255	0.443	2	108.8017	2.078	4	108.7966	0.920	14	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]O)(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]O)(H)2{1|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.6810	0.031	2	108.6810	0.001	2	108.6810	0.001	2	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	108.9075	0.011	2	108.9075	0.000	2	108.9075	0.000	2	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)2	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)2{5|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.4340	0.047	2	109.4340	0.002	2	109.4033	0.211	39	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)2{1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	H(C[6]C[6]2H)	109.2605	0.006	2	109.0545	0.087	12	109.4033	0.211	39	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)2{1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(C[6]C[6]2H)	109.2997	0.355	3	109.0545	0.087	12	109.4033	0.211	39	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)2{1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.8906	0.205	7	109.0545	0.087	12	109.4033	0.211	39	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2{1|C<4>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,6|C<3>}	H(C[6]C[6]2H)	109.6832	0.391	19	109.6832	0.153	19	109.4033	0.211	39	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.0050	0.017	2	109.0050	0.000	2	109.4033	0.211	39	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[5a,6]O)(H)2	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]N[5a,6]O)(H)2{1|H<1>,4|C<3>}	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.8045	0.005	2	108.8045	0.000	2	109.4033	0.211	39	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]S[6]C)(H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]S[6]C)(H)2{4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|S<2>,2|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.8030	0.028	2	109.8030	0.001	2	109.4033	0.211	39	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]C)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]C)(H)2{1|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	H(C[6]C[6]N[6]H)	109.1240	0.014	2	109.1240	0.000	2	109.1148	0.294	10	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]O)(H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]O)(H)2{1|N<3>,1|O<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|O<2>,3|H<1>,5|C<3>}	H(C[6]C[6]N[6]H)	109.9180	0.000	1	109.9180	0.000	1	109.1148	0.294	10	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]S)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.2965	1.046	2	108.9974	0.318	7	109.1148	0.294	10	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]S)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]S)(H)2{1|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	108.4710	0.030	2	108.9974	0.318	7	109.1148	0.294	10	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]S)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]S)(H)2{2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.1490	0.070	3	108.9974	0.318	7	109.1148	0.294	10	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[5]C[6])(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[5]C[6])(H)2{1|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){2|H<1>,7|C<3>}	H(C[6]C[6]N[6]H)	109.1665	0.023	2	109.1665	0.001	2	109.3580	0.135	11	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]H)(H)2{1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){4|H<1>,5|C<3>}	H(C[6]C[6]N[6]H)	109.5045	0.035	2	109.5045	0.001	2	109.3580	0.135	11	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]S)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]S)(H)2{1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.1043	0.420	4	109.3709	0.206	7	109.3580	0.135	11	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]S)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]S)(H)2{1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|S<4>,3|H<1>,5|C<3>}	H(C[6]C[6]N[6]H)	109.7263	0.147	3	109.3709	0.206	7	109.3580	0.135	11	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(N[6]C[6]C)(H)2	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5,6]C[6a]H)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]HH)(H){2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2330	0.000	1	109.2330	0.000	1	109.2330	0.000	1	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a,6]C[6a]H)(N[6]C[6,6]C)(H)2	C[6](N[5a,6]C[5a,6,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5a,6]C[6a]H)(N[6]C[6,6]C)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.2365	0.022	2	109.2365	0.000	2	109.2365	0.000	2	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|N<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.0870	0.025	2	109.0870	0.001	2	109.1476	0.009	5	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]S)(H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]S)(H)2{1|C<4>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|S<4>,4|H<1>,5|C<3>}	H(C[6]C[6]N[6]H)	109.2470	0.016	2	109.2470	0.000	2	109.1476	0.009	5	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]S)(H)2	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]S)(H)2{1|N<2>,4|C<3>}	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|S<4>,2|H<1>,5|C<3>}	H(C[6]C[6]N[6]H)	109.0700	0.000	1	109.0700	0.000	1	109.1476	0.009	5	109.0792	0.597	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]C[6a]O)(C[6]S[6]C)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]O)(C[6]S[6]C)(H)2{4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(OH){1|N<2>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.0780	0.517	6	108.0780	0.268	6	108.0780	0.268	6	108.7168	1.008	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:S-2:	C[6]-4:	C[6](C[6]C[6a]C[6]S)(C[6]C[5,6]C)(H)2	C[6](C[6]N[5,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)(SC)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]S)(C[6]C[5,6]C)(H)2{1|N<3>,1|O<1>,1|S<2>,2|C<3>}	C[6](C[6]N[5,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)(SC){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.8690	0.049	2	108.8690	0.002	2	108.8690	0.002	2	108.7168	1.008	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:2:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]O)(N[6]C[6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(OH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]C[6a]O)(N[6]C[6a]C[6])(H)2{2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(OH){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6]N[6]H)	109.4860	2.541	2	109.4860	6.458	2	109.4860	6.458	2	108.7168	1.008	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:2:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(N[6]C[6,6a]S)(H)2	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]N[6]HH)(OH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]O)(N[6]C[6,6a]S)(H)2{5|C<3>}	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]N[6]HH)(OH){1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	108.8155	0.016	2	108.8155	0.000	2	109.2142	0.212	4	108.7168	1.008	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:2:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(N[6]C[6,6a]S)(H)2	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]HH)(OH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]O)(N[6]C[6,6a]S)(H)2{1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]HH)(OH){1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.6130	0.006	2	109.6130	0.000	2	109.2142	0.212	4	108.7168	1.008	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5a]-3:C[6a]-3:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6]C[5a]C[6a]N[6])(C[6]C[6]O)(H)2	C[6](C[5a]C[5a]2)(C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6a]N[6])(C[6]C[6]O)(H)2{1|H<1>,1|S<2>,5|C<3>}	C[6](C[5a]C[5a]2)(C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H){1|S<2>,2|O<1>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.8285	0.026	2	108.8285	0.001	2	108.8285	0.001	2	108.7957	0.171	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]C)(N[6]C[6]H)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]C[6a]C)(N[6]C[6]H)(H)2{1|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(COO){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	108.4573	0.043	8	108.4573	0.002	8	108.7907	0.199	13	108.7957	0.171	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]C)(N[6]C[6]S)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]C[6a]C)(N[6]C[6]S)(H)2{2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(CCO){1|C<4>,1|N<3>,1|S<4>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4107	0.041	3	109.4107	0.002	3	108.7907	0.199	13	108.7957	0.171	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]C)(N[6]C[6]S)(H)2	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]C[6a]C)(N[6]C[6]S)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(CCO){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.1945	0.026	2	109.1945	0.001	2	108.7907	0.199	13	108.7957	0.171	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5a]2C[6])(C[6]C[6]O)(H)2	C[6](C[5a]C[5a]N[5a])2(C[6]C[6]HH)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]2C[6])(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6](C[5a]C[5a]N[5a])2(C[6]C[6]HH)2{1|C<4>,1|O<1>,4|C<3>,6|H<1>}	H(C[6]C[6]2H)	108.6720	0.006	2	108.6720	0.000	2	108.6720	0.000	2	109.1404	0.187	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]C[6])(H)2{1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){3|H<1>,6|C<3>}	H(C[6]C[6]2H)	109.3370	0.006	2	109.3370	0.000	2	109.1912	0.028	4	109.1404	0.187	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(C[6]O[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]C)(C[6]O[6]O)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	H(C[6]C[6]2H)	109.0455	0.011	2	109.0455	0.000	2	109.1912	0.028	4	109.1404	0.187	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]N[6]C)(C[6]C[6]C)(H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]C)(C[6]C[6]C)(H)2{5|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){3|H<1>,6|C<3>}	H(C[6]C[6]2H)	108.7030	0.016	2	108.7030	0.000	2	108.7030	0.000	2	109.1404	0.187	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]C)(H)2{1|S<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(CH3){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6]N[6]H)	109.8505	0.330	2	109.8505	0.109	2	109.8505	0.109	2	109.1404	0.187	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]2C[6])(N[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]N[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]2C[6])(N[6]C[6]C)(H)2{2|C<4>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]N[6]HH){1|C<4>,5|C<3>,6|H<1>}	H(C[6]C[6]N[6]H)	109.2345	0.035	2	109.2345	0.001	2	109.2345	0.001	2	109.1404	0.187	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6,6]C[6,6]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6a]HH)(C[6,6]C[6,6]2)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.2363	0.034	3	109.1992	0.003	5	109.1992	0.003	5	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6,6]C[6,6]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6a]HH)(C[6,6]C[6,6]2)(H)2{2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.1435	0.030	2	109.1992	0.003	5	109.1992	0.003	5	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:Br-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]H)(Br)(H)	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]BrH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]N[5,6]HH)(C[6]C[6]H)(Br)(H){1|C<4>,1|H<1>,1|S<4>}	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]BrH)(H)2{1|C<4>,1|H<1>,2|O<1>,3|C<3>}	H(C[6]C[6]2Br)	109.0370	0.000	1	109.0370	0.000	1	109.0370	0.000	1	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6a]O)(H)2	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6a]O)(H)2{3|C<3>}	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[6]C[6]2H)	108.3675	0.012	2	108.3675	0.000	2	108.5148	0.029	4	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[4,5]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[4,5]C[5,6])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.6620	0.025	2	108.6620	0.001	2	108.5148	0.029	4	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|N<2>,3|C<3>}	H(C[6]C[6]2H)	108.4087	0.228	4	108.6417	0.161	6	108.1493	0.299	24	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.1075	0.012	2	108.6417	0.161	6	108.1493	0.299	24	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|N<3>,4|C<3>}	H(C[6]C[6]2H)	107.8427	0.242	10	107.8427	0.059	10	108.1493	0.299	24	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H)2{1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]2H)	108.8445	0.005	2	108.8445	0.000	2	108.1493	0.299	24	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6a]C[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6a]C[6])(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|N<2>,3|C<3>}	H(C[6]C[6]2H)	107.1530	0.010	2	107.1530	0.000	2	108.1493	0.299	24	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6a]N[6])(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6a]N[6])(H)2{4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|N<2>}	H(C[6]C[6]2H)	108.1995	0.016	2	108.1995	0.000	2	108.1493	0.299	24	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]N[6]O)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|N<3>}	H(C[6]C[6]2H)	108.4560	0.024	2	108.4560	0.001	2	108.1493	0.299	24	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(H)2{1|C<3>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.6255	0.011	2	108.6255	0.000	2	109.1224	0.186	18	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]2)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]2)(H)2{1|C<4>,1|N<3>,1|N<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	109.1560	0.236	4	109.0414	0.039	8	109.1224	0.186	18	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]2)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]2)(H)2{1|C<4>,2|N<3>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	108.9267	0.020	4	109.0414	0.039	8	109.1224	0.186	18	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<4>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5175	0.009	2	109.5175	0.000	2	109.1224	0.186	18	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|O<1>,5|C<4>}	H(C[6]C[6]2H)	110.0605	0.013	2	109.4670	0.470	4	109.1224	0.186	18	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.8735	0.033	2	109.4670	0.470	4	109.1224	0.186	18	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2{1|O<1>,2|N<3>,3|C<4>}	H(C[6]C[6]2H)	108.8590	0.014	2	108.8590	0.000	2	109.1224	0.186	18	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6,6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6,6]C)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.4610	0.113	2	109.4610	0.013	2	109.2286	0.851	199	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]O)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.5867	0.165	4	109.6077	4.115	6	109.2286	0.851	199	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]O)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.6495	4.526	2	109.6077	4.115	6	109.2286	0.851	199	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5]S[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5]S[6])(H)2{1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|S<2>,3|C<3>}	H(C[6]C[6]2H)	108.8540	0.211	4	108.8540	0.045	4	109.2286	0.851	199	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]O)(H)2{1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	108.8560	0.047	2	108.8560	0.002	2	109.2286	0.851	199	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6,6a]O)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6]2H)	111.0860	1.530	2	111.0860	2.341	2	109.2286	0.851	199	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]2)(H)2{1|C<4>,2|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6]2H)	109.0590	0.037	2	109.1898	0.023	4	109.2286	0.851	199	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]2)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.3205	0.016	2	109.1898	0.023	4	109.2286	0.851	199	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.3540	0.024	2	109.3525	0.200	64	109.2286	0.851	199	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2{1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.1010	0.021	2	109.3525	0.200	64	109.2286	0.851	199	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.2748	0.204	26	109.3525	0.200	64	109.2286	0.851	199	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,4|C<3>}	H(C[6]C[6]2H)	109.5975	0.033	2	109.3525	0.200	64	109.2286	0.851	199	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2{1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.3805	0.641	27	109.3525	0.200	64	109.2286	0.851	199	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.4843	0.070	3	109.3525	0.200	64	109.2286	0.851	199	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.7925	0.011	2	109.3525	0.200	64	109.2286	0.851	199	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2{1|C<3>,1|N<2>,1|O<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{4|C<3>}	H(C[6]C[6]2H)	109.3940	0.027	2	109.3940	0.001	2	109.2286	0.851	199	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.2880	0.013	2	109.2880	0.000	2	109.2286	0.851	199	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.0340	0.296	3	109.0720	1.698	11	109.2286	0.851	199	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6]2H)	107.6305	0.071	2	109.0720	1.698	11	109.2286	0.851	199	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	108.7848	0.636	4	109.0720	1.698	11	109.2286	0.851	199	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6]2H)	111.1450	1.583	2	109.0720	1.698	11	109.2286	0.851	199	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]N)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]N)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6]2H)	108.7820	0.059	2	108.7820	0.004	2	109.2286	0.851	199	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.6750	0.021	2	109.7546	0.492	22	109.2286	0.851	199	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	110.3580	0.614	2	109.7546	0.492	22	109.2286	0.851	199	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.8718	0.838	12	109.7546	0.492	22	109.2286	0.851	199	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.6580	0.021	2	109.7546	0.492	22	109.2286	0.851	199	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6]2H)	109.1893	0.110	4	109.7546	0.492	22	109.2286	0.851	199	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]P)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]P)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|P<4>,3|C<3>}	H(C[6]C[6]2H)	109.7385	0.016	2	109.7385	0.000	2	109.2286	0.851	199	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]S)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]S)(H)2{1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6]2H)	109.5487	0.139	4	109.5487	0.019	4	109.2286	0.851	199	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[5,6]O)(H)2	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[5,6]O)(H)2{1|C<4>,2|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	106.8165	0.016	2	106.8165	0.000	2	109.2286	0.851	199	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]C)(H)2{1|Co<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]2H)	107.7540	0.035	2	107.7540	0.001	2	109.2286	0.851	199	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(H)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	108.9937	0.719	34	109.0347	0.419	43	109.2286	0.851	199	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.1130	0.004	2	109.0347	0.419	43	109.2286	0.851	199	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.2113	0.211	7	109.0347	0.419	43	109.2286	0.851	199	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(H)2	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.2055	0.013	2	109.1488	0.068	10	109.2286	0.851	199	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(H)2	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|O<2>}	H(C[6]C[6]2H)	109.1346	0.294	8	109.1488	0.068	10	109.2286	0.851	199	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	108.4580	0.047	2	108.7076	4.044	13	109.2286	0.851	199	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.0380	0.027	2	108.7076	4.044	13	109.2286	0.851	199	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	108.6545	0.005	2	108.7076	4.044	13	109.2286	0.851	199	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	108.5010	3.989	4	108.7076	4.044	13	109.2286	0.851	199	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.1910	0.000	1	108.7076	4.044	13	109.2286	0.851	199	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|O<2>}	H(C[6]C[6]2H)	108.8515	0.028	2	108.7076	4.044	13	109.2286	0.851	199	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|O<2>,4|C<3>}	H(C[6]C[6]2H)	109.2135	0.036	4	109.2135	0.001	4	109.8927	3.982	20	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	112.3675	3.196	4	112.3675	10.213	4	109.8927	3.982	20	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2{1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>}	H(C[6]C[6]2H)	111.0470	2.592	2	111.0470	6.720	2	109.8927	3.982	20	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[5a]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[5a]N[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.1335	0.037	2	109.1335	0.001	2	109.8927	3.982	20	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|O<1>}	H(C[6]C[6]2H)	108.7682	0.044	4	108.7682	0.002	4	109.8927	3.982	20	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.1390	0.006	2	109.0240	0.018	4	109.8927	3.982	20	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	108.9090	0.016	2	109.0240	0.018	4	109.8927	3.982	20	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6,6]O)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6,6]O)(H)2{1|H<1>,3|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9910	0.006	2	108.9910	0.000	2	109.3632	0.116	5	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]O)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|H<1>,2|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.6045	0.023	2	109.6045	0.001	2	109.3632	0.116	5	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]N[6]H)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]N[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6250	0.000	1	109.6250	0.000	1	109.3632	0.116	5	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]C)(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]C)(H)2{3|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{5|C<3>}	H(C[6]C[6]2H)	108.9725	0.070	2	108.9725	0.005	2	108.1795	0.399	6	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]N[6,6]O)(H)2	C[6](N[5a,6]C[5a,6,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]N[6,6]O)(H)2{1|N<2>,2|C<3>}	C[6](N[5a,6]C[5a,6,6]N[5a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	107.7830	0.185	4	107.7830	0.034	4	108.1795	0.399	6	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6,6a]O)(H)2	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6,6a]O)(H)2{1|C<4>,2|C<3>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2005	0.013	2	109.2005	0.000	2	109.3686	0.299	17	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(H)2{3|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	108.9080	0.884	4	108.9080	0.781	4	109.3686	0.299	17	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(H)2	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.9405	0.042	4	109.9405	0.002	4	109.3686	0.299	17	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]O)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|H<1>,2|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.6630	0.000	1	109.3530	0.036	7	109.3686	0.299	17	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]O)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]O)(H)2{2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0480	0.000	1	109.3530	0.036	7	109.3686	0.299	17	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]O)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]O)(H)2{2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.3520	0.077	5	109.3530	0.036	7	109.3686	0.299	17	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]2)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]2)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.7171	0.428	8	108.7171	0.183	8	108.4854	0.643	9	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6]2H)	106.6320	0.000	1	106.6320	0.000	1	108.4854	0.643	9	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[5,6]C[5,6]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](C[6]C[6,6a]HH)(N[5,6]C[5,6]2)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]N[5,6]C[6]H)	110.0160	0.008	2	109.6697	1.670	6	109.6697	1.670	6	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[5,6]C[5,6]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](C[6]C[6,6a]HH)(N[5,6]C[5,6]2)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]N[5,6]C[6]H)	109.4965	1.632	4	109.6697	1.670	6	109.6697	1.670	6	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6,6]C[6,6]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](C[6]C[6,6a]HH)(N[6,6]C[6,6]2)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]N[6,6]C[6]H)	110.0407	0.113	3	109.9145	0.053	14	109.9145	0.053	14	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6,6]C[6,6]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](C[6]C[6,6a]HH)(N[6,6]C[6,6]2)(H)2{2|H<1>,2|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]N[6,6]C[6]H)	109.8801	0.246	11	109.9145	0.053	14	109.9145	0.053	14	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C[6](C[5,6]C[5,6]N[5])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]N[6]HH)(H)2{1|C<4>,4|C<3>}	H(C[6]C[6]N[6]H)	109.3710	0.000	1	109.3710	0.000	1	109.3827	0.000	3	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	H(C[6]C[6]N[6]H)	109.3885	0.015	2	109.3885	0.000	2	109.3827	0.000	3	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|S<2>,2|C<3>}	H(C[6]C[6]N[6]H)	109.4550	0.014	3	109.4255	0.012	12	109.4852	0.366	115	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2{1|C<2>,1|C<3>,1|S<2>,2|C<4>}	H(C[6]C[6]N[6]H)	109.5560	0.006	2	109.4255	0.012	12	109.4852	0.366	115	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2{1|S<2>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.3756	0.114	7	109.4255	0.012	12	109.4852	0.366	115	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6]H)	109.2775	0.039	2	109.7765	1.163	12	109.4852	0.366	115	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6]H)	108.7885	2.126	2	109.7765	1.163	12	109.4852	0.366	115	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	110.2332	1.063	4	109.7765	1.163	12	109.4852	0.366	115	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{2|C<4>,3|C<3>}	H(C[6]C[6]N[6]H)	110.5340	0.619	2	109.7765	1.163	12	109.4852	0.366	115	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.5925	0.005	2	109.7765	1.163	12	109.4852	0.366	115	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]N[6]H)	109.5768	0.238	8	109.6035	0.029	19	109.4852	0.366	115	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.6230	0.111	11	109.6035	0.029	19	109.4852	0.366	115	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]C[6]N[6]H)	109.4790	0.164	4	109.5728	0.370	39	109.4852	0.366	115	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>}	H(C[6]C[6]N[6]H)	109.2755	0.006	2	109.5728	0.370	39	109.4852	0.366	115	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.4297	0.383	4	109.5728	0.370	39	109.4852	0.366	115	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<4>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]C[6]N[6]H)	109.6812	1.158	5	109.5728	0.370	39	109.4852	0.366	115	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]C[6]N[6]H)	110.7265	2.064	2	109.5728	0.370	39	109.4852	0.366	115	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.4310	0.030	2	109.5728	0.370	39	109.4852	0.366	115	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|N<3>,4|C<3>}	H(C[6]C[6]N[6]H)	109.2715	0.024	4	109.5728	0.370	39	109.4852	0.366	115	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|S<2>,3|C<3>}	H(C[6]C[6]N[6]H)	109.3410	0.037	2	109.5728	0.370	39	109.4852	0.366	115	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|S<2>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.6152	0.175	12	109.5728	0.370	39	109.4852	0.366	115	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|N<3>,4|C<3>}	H(C[6]C[6]N[6]H)	109.6420	0.051	2	109.5728	0.370	39	109.4852	0.366	115	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2{1|C<4>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]N[6]H)	108.5183	0.373	3	109.0871	0.347	9	109.4852	0.366	115	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2{1|C<4>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6]H)	109.3620	0.034	2	109.0871	0.347	9	109.4852	0.366	115	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2{1|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6]H)	109.8860	0.025	2	109.0871	0.347	9	109.4852	0.366	115	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2{2|C<3>,2|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6]H)	108.8665	0.035	2	109.0871	0.347	9	109.4852	0.366	115	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.6875	0.006	2	109.6875	0.000	2	109.4852	0.366	115	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(H)2{1|C<4>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>}	H(C[6]C[6]N[6]H)	108.8410	0.802	4	108.8410	0.642	4	109.4852	0.366	115	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,1|S<4>,2|C<4>}	H(C[6]C[6]N[6]H)	109.5700	0.028	2	109.2525	0.181	8	109.4852	0.366	115	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,3|C<3>}	H(C[6]C[6]N[6]H)	109.7215	0.026	2	109.2525	0.181	8	109.4852	0.366	115	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	108.8593	0.052	4	109.2525	0.181	8	109.4852	0.366	115	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.8655	0.116	4	109.8655	0.013	4	109.4852	0.366	115	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2{2|C<3>,2|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.6795	0.016	2	109.6795	0.000	2	109.4852	0.366	115	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6a]C[6])(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6a]C[6])(H)2{1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2{1|N<2>,1|N<3>,3|C<3>}	H(C[6]C[6]N[6]H)	109.1500	0.011	2	109.1500	0.000	2	109.4852	0.366	115	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6a]C[6])(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]C[6]N[6]H)	108.4515	0.021	2	108.4515	0.000	2	109.4852	0.366	115	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	109.4030	0.017	2	109.4030	0.000	2	109.2149	1.286	9	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	107.7070	2.027	2	107.7070	4.107	2	109.2149	1.286	9	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.6535	0.065	4	109.6535	0.004	4	109.2149	1.286	9	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2{1|S<4>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	110.1000	0.000	1	110.1000	0.000	1	109.2149	1.286	9	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2{1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.7255	0.008	2	109.7632	0.032	15	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	110.0135	0.049	2	109.7632	0.032	15	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.6679	0.161	8	109.7632	0.032	15	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.8757	0.106	3	109.7632	0.032	15	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]C)(H)2	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	110.5875	1.253	6	110.1694	1.167	10	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]C)(H)2	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.5422	0.103	4	110.1694	1.167	10	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]C)(H)2{1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	110.0740	1.140	2	110.0740	1.299	2	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6,6a]C)(H)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6,6a]C)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.5935	0.040	2	109.6309	0.012	11	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6,6a]C)(H)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6,6a]C)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.6392	0.120	9	109.6309	0.012	11	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]Au)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]Au)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|Au<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.4920	0.033	2	109.4920	0.001	2	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.5588	0.027	8	109.5466	0.313	113	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<2>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.7316	0.016	5	109.5466	0.313	113	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<2>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.5630	0.024	4	109.5466	0.313	113	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<1>,1|C<4>,3|C<3>}	H(C[6]C[6]N[6]H)	109.2165	0.090	4	109.5466	0.313	113	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.7122	0.150	14	109.5466	0.313	113	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.1981	0.625	30	109.5466	0.313	113	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.7685	0.013	2	109.5466	0.313	113	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{2|C<4>,3|C<3>}	H(C[6]C[6]N[6]H)	109.2630	0.262	2	109.5466	0.313	113	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	110.9470	0.298	2	109.5466	0.313	113	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	110.0430	0.000	1	109.5466	0.313	113	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.6954	0.164	5	109.5466	0.313	113	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.2910	0.018	2	109.5466	0.313	113	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.6890	0.004	2	109.5466	0.313	113	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.3875	2.436	2	109.5466	0.313	113	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	108.9555	0.008	2	109.5466	0.313	113	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<2>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.7515	0.025	2	109.5466	0.313	113	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.7699	0.590	14	109.5466	0.313	113	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.8375	0.364	8	109.5466	0.313	113	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.4250	0.042	2	109.5466	0.313	113	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.8235	0.029	2	109.5466	0.313	113	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]N[6]H)	109.8555	0.030	2	109.8555	0.001	2	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(H)2{1|C<4>,4|C<3>}	H(C[6]C[6]N[6]H)	109.4325	0.095	2	109.4325	0.009	2	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]Cu)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]Cu)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|Cu<5>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.0280	0.028	2	109.0280	0.001	2	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4817	0.025	3	109.8994	0.853	17	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2{1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8695	0.013	2	109.8994	0.853	17	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4355	0.026	2	109.8994	0.853	17	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2{1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	110.4310	1.248	4	109.8994	0.853	17	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2{1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.5490	0.018	2	109.8994	0.853	17	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	108.8765	0.029	2	109.8994	0.853	17	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	111.3300	0.672	2	109.8994	0.853	17	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6]H)	110.1775	0.019	2	110.0075	1.753	15	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6]H)	109.6998	0.872	6	110.0075	1.753	15	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6]H)	110.5045	0.011	2	110.0075	1.753	15	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2{1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6]H)	110.2377	3.118	3	110.0075	1.753	15	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6]N[6]H)	109.9180	0.049	2	110.0075	1.753	15	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.4600	0.041	2	109.8675	4.574	4	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(H)2{1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]N[6]H)	110.2750	3.613	2	109.8675	4.574	4	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|S<3>,2|C<3>}	H(C[6]C[6]N[6]H)	108.9190	0.017	2	110.2967	1.569	21	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2{1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	112.2565	1.808	4	110.2967	1.569	21	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|Br<1>,1|C<4>,1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.9237	0.278	9	110.2967	1.569	21	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	110.0665	0.046	4	110.2967	1.569	21	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|I<1>,1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.8940	0.031	2	110.2967	1.569	21	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,3|C<3>}	H(C[6]C[6]N[6]H)	109.9060	0.000	2	109.9060	0.000	2	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|C<2>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.9043	0.135	9	109.5528	0.464	116	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.1018	0.262	21	109.5528	0.464	116	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.0470	0.028	2	109.5528	0.464	116	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.4028	0.198	9	109.5528	0.464	116	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.6821	0.812	68	109.5528	0.464	116	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.4525	0.090	4	109.5528	0.464	116	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.6910	0.000	1	109.5528	0.464	116	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.6235	0.056	2	109.5528	0.464	116	109.6726	0.608	334	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(H)2{1|O<2>,3|C<4>}	H(C[6]C[6]N[6]H)	109.6580	0.008	2	109.6124	0.004	10	109.4052	0.574	23	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(H)2{4|C<4>}	H(C[6]C[6]N[6]H)	109.6010	0.061	8	109.6124	0.004	10	109.4052	0.574	23	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]N[5])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N[5])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.3250	0.013	2	109.3250	0.000	2	109.4052	0.574	23	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.3585	1.651	2	109.3585	2.726	2	109.4052	0.574	23	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[5a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[5a]C[6])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.2032	1.064	9	109.2032	1.133	9	109.4052	0.574	23	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[5,6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6,6]HH)(N[6]C[6,6]H)(H)2	C[6](N[5,6,6]C[5,6,6]Ge[5,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[5,6,6]HH)(N[6]C[6,6]H)(H)2{1|Ge<3>,1|C<3>,2|C<4>}	C[6](N[5,6,6]C[5,6,6]Ge[5,6])(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|N<3>}	H(C[6]C[6]N[6]H)	109.8125	0.040	2	109.8125	0.002	2	109.8125	0.002	2	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(N[6]C[6]C)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6]N[6]H)	109.5810	0.000	1	109.5810	0.000	1	109.1653	1.811	7	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(N[6]C[6]H)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[5,6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4650	3.195	2	109.4650	10.206	2	109.1653	1.811	7	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(N[6]Ge[6]C)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[5,6]HH)(N[6]Ge[6]C)(H)2{2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2{1|Ge<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6]H)	108.9115	0.128	4	108.9115	0.016	4	109.1653	1.811	7	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(N[6]C[6]C)(H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<2>,1|O<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]N[6]H)	108.7500	0.115	2	108.7500	0.013	2	109.0940	0.150	6	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(N[6]C[6]C)(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[5a,6]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,4|C<3>}	H(C[6]C[6]N[6]H)	108.9580	0.033	2	108.9580	0.001	2	109.0940	0.150	6	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(N[6]C[6a]C[6])(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[5a,6]HH)(N[6]C[6a]C[6])(H)2{2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,4|C<3>}	H(C[6]C[6]N[6]H)	109.5740	0.017	2	109.5740	0.000	2	109.0940	0.150	6	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(N[6]C[6,6]C)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6,6]HH)(N[6]C[6,6]C)(H)2{1|H<1>,3|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2220	0.000	1	109.2220	0.000	1	109.9683	1.524	9	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(N[6]C[6,6]H)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6,6]HH)(N[6]C[6,6]H)(H)2{1|N<3>,3|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	110.2635	0.572	4	110.2635	0.327	4	109.9683	1.524	9	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(N[6]C[6,6a]C)(H)2	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6,6]HH)(N[6]C[6,6a]C)(H)2{1|C<4>,2|C<3>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2670	0.010	2	109.2670	0.000	2	109.9683	1.524	9	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(N[6]C[6]H)(H)2	C[6](N[6,6]C[6,6]S[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6,6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|S<4>}	C[6](N[6,6]C[6,6]S[6])(C[6]N[6]HH)(H)2{1|H<1>,2|O<1>,3|C<3>}	H(C[6]C[6]N[6]H)	110.4525	2.975	2	110.4525	8.849	2	109.9683	1.524	9	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6a]HH)(N[6]C[6]C)(H)2	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6,6a]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.5725	0.040	2	109.5725	0.002	2	109.5725	0.002	2	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.1762	0.054	4	109.4432	0.122	15	109.4906	0.180	838	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.5766	0.463	7	109.4432	0.122	15	109.4906	0.180	838	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4767	0.019	4	109.4432	0.122	15	109.4906	0.180	838	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4470	0.246	4	109.4573	0.020	42	109.4906	0.180	838	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.3964	0.188	8	109.4573	0.020	42	109.4906	0.180	838	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5297	0.111	6	109.4573	0.020	42	109.4906	0.180	838	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4245	0.130	4	109.4573	0.020	42	109.4906	0.180	838	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4235	0.132	8	109.4573	0.020	42	109.4906	0.180	838	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	109.4987	0.072	12	109.4573	0.020	42	109.4906	0.180	838	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4775	0.042	10	109.3811	0.159	22	109.4906	0.180	838	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.1342	0.593	8	109.3811	0.159	22	109.4906	0.180	838	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|N<2>,1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6337	0.084	4	109.3811	0.159	22	109.4906	0.180	838	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]N[5])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]C[6]N[5])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3350	0.078	2	109.3350	0.006	2	109.4906	0.180	838	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|P<4>,2|H<1>}	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2{1|Cu<3>,2|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	109.5353	0.209	7	109.4894	0.027	17	109.4906	0.180	838	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|P<4>,2|H<1>}	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2{1|Cu<4>,2|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	109.4573	0.125	10	109.4894	0.027	17	109.4906	0.180	838	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<2>,1|C<4>,2|H<1>,2|N<2>}	H(C[6]C[6]N[6]H)	109.4925	0.033	4	109.4803	0.193	656	109.4906	0.180	838	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	H(C[6]C[6]N[6]H)	109.5972	0.139	31	109.4803	0.193	656	109.4906	0.180	838	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4600	0.201	35	109.4803	0.193	656	109.4906	0.180	838	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5204	0.193	12	109.4803	0.193	656	109.4906	0.180	838	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.5608	0.474	191	109.4803	0.193	656	109.4906	0.180	838	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.5105	0.008	2	109.4803	0.193	656	109.4906	0.180	838	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4303	0.462	368	109.4803	0.193	656	109.4906	0.180	838	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>,2|N<2>}	H(C[6]C[6]N[6]H)	109.4444	0.111	13	109.4803	0.193	656	109.4906	0.180	838	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6050	0.414	65	109.5965	0.169	67	109.4906	0.180	838	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.3195	0.064	2	109.5965	0.169	67	109.4906	0.180	838	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6710	0.248	3	109.6710	0.061	3	109.4906	0.180	838	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6916	0.810	8	109.7770	0.371	14	109.4906	0.180	838	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8908	0.138	6	109.7770	0.371	14	109.4906	0.180	838	109.4635	0.491	1676	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6]H)(H)2	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]H)(H)2{1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(OC)(H){1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.1955	0.040	2	109.1955	0.002	2	109.1955	0.002	2	109.2717	0.996	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[5a]O[6]H)(C[6]C[6]H)(H)2	C[6](C[5a]C[5a]2)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]O[6]H)(C[6]C[6]H)(H)2{1|C<4>,3|C<3>}	C[6](C[5a]C[5a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.9057	0.107	4	109.9057	0.012	4	109.9057	0.012	4	109.2717	0.996	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.7545	3.033	2	109.0058	3.150	4	109.1114	0.876	16	109.2717	0.996	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]C)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.2570	0.017	2	109.0058	3.150	4	109.1114	0.876	16	109.2717	0.996	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(H)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.2790	0.000	1	109.2790	0.000	1	109.1114	0.876	16	109.2717	0.996	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]N[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]N[6]C)(H)2{1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]2H)	109.9820	0.078	2	109.9820	0.006	2	109.1114	0.876	16	109.2717	0.996	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]O[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]O[6]C)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	109.4035	0.046	2	109.4035	0.002	2	109.1114	0.876	16	109.2717	0.996	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]S[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]S[6]C)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|H<1>,1|S<2>,3|C<3>}	H(C[6]C[6]2H)	108.8157	0.468	7	108.8157	0.219	7	109.1114	0.876	16	109.2717	0.996	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(O[6]C[6])(H){2|H<1>,2|O<1>,3|C<3>}	H(C[6]C[6]2H)	109.6550	0.025	2	109.6550	0.001	2	109.6550	0.001	2	109.2717	0.996	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|Cl<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6110	0.013	2	109.6110	0.000	2	109.3111	0.092	8	109.2717	0.996	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(H)2	C[6](C[6a]C[6a,6a]2)(C[6]C[6]HH)(N[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(H)2{1|H<1>,3|C<3>}	C[6](C[6a]C[6a,6a]2)(C[6]C[6]HH)(N[6]C[6])(H){1|N<3>,1|O<1>,1|S<2>,4|C<3>}	H(C[6]C[6]2H)	109.4590	0.030	2	109.4590	0.001	2	109.3111	0.092	8	109.2717	0.996	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(H)2{1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0872	0.271	4	109.0872	0.074	4	109.3111	0.092	8	109.2717	0.996	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[3x6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]O)(H)2{1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[3x6])(H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6]2H)	109.5110	0.106	3	109.5110	0.011	3	109.1955	1.187	39	109.2717	0.996	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]O)(H)2{1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.3680	0.168	4	109.3557	0.017	6	109.1955	1.187	39	109.2717	0.996	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]O)(H)2{4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.3310	0.027	2	109.3557	0.017	6	109.1955	1.187	39	109.2717	0.996	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1683	0.027	4	108.8597	4.392	10	109.1955	1.187	39	109.2717	0.996	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1310	0.011	2	108.8597	4.392	10	109.1955	1.187	39	109.2717	0.996	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H)2{4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(C[6]C[6]2H)	105.6220	1.261	2	108.8597	4.392	10	109.1955	1.187	39	109.2717	0.996	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H)2{4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	111.2090	2.325	2	108.8597	4.392	10	109.1955	1.187	39	109.2717	0.996	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.5473	0.165	4	109.1843	0.416	8	109.1955	1.187	39	109.2717	0.996	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H)2{1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.2040	0.503	2	109.1843	0.416	8	109.1955	1.187	39	109.2717	0.996	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H)2{1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.4385	0.015	2	109.1843	0.416	8	109.1955	1.187	39	109.2717	0.996	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.1550	0.158	4	109.3509	0.082	10	109.1955	1.187	39	109.2717	0.996	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(H)2{1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.6577	0.102	4	109.3509	0.082	10	109.1955	1.187	39	109.2717	0.996	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(H)2{2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	H(C[6]C[6]2H)	109.1290	0.008	2	109.3509	0.082	10	109.1955	1.187	39	109.2717	0.996	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6a]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.1880	0.058	2	109.1880	0.003	2	109.1955	1.187	39	109.2717	0.996	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]S[6]H)(C[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H){4|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.6235	0.032	2	108.6235	0.001	2	108.7326	1.161	14	109.2717	0.996	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]S[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.6725	1.726	6	108.6725	2.980	6	108.7326	1.161	14	109.2717	0.996	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]S[6]H)(C[6]N[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]S[6]H)(C[6]N[6]O)(H)2{4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.8290	0.138	6	108.8290	0.019	6	108.7326	1.161	14	109.2717	0.996	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6]N[6]HS)(C[6]N[6]O)(H)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(SC)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HS)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(SC)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	H(C[6]C[6]2H)	108.9320	0.356	4	108.9320	0.126	4	108.9320	0.126	4	109.2717	0.996	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3225	0.023	2	109.6581	0.119	14	109.7849	1.444	18	109.2717	0.996	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.9004	0.239	8	109.6581	0.119	14	109.7849	1.444	18	109.2717	0.996	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2{1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H){1|S<4>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4515	0.043	2	109.6581	0.119	14	109.7849	1.444	18	109.2717	0.996	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2310	0.004	2	109.6581	0.119	14	109.7849	1.444	18	109.2717	0.996	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]N[6])(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]N[6])(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7435	0.050	2	109.7435	0.003	2	109.7849	1.444	18	109.2717	0.996	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(H)2{3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	H(C[6]C[6]N[6]H)	110.7140	4.588	2	110.7140	21.047	2	109.7849	1.444	18	109.2717	0.996	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]N[6a]O[6]H)(N[6]C[6]H)(H)2	C[6](N[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6a]O[6]H)(N[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4065	0.005	2	109.4065	0.000	2	109.4065	0.000	2	109.2717	0.996	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:1:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(S[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]S[6]HH)(O[6]C[6])(H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6a]O[6]H)(S[6]C[6]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]S[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]S[6]H)	109.6388	0.225	4	109.6388	0.051	4	109.6388	0.051	4	109.2717	0.996	113	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-2:C-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(CN)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(CN)2{1|S<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.5510	0.068	2	109.5510	0.005	2	109.5510	0.005	2	109.4313	0.226	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:C-2:C-2:	C[6]-4:	C[6](C[6]N[6,6]CC)(C[6]C[6]O)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CN)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]CC)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CN)2{1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.5560	0.049	4	109.5560	0.002	4	109.5560	0.002	4	109.4313	0.226	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:2:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:	C[6](C[6]C[6a]O[6]O)(N[6]C[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]N[6])(ON[5a])	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]O[6]O)(N[6]C[6]H)(H)2{1|N<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]N[6])(ON[5a]){3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.9160	0.007	2	109.9160	0.000	2	109.9160	0.000	2	109.4313	0.226	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:2:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:	C[6](C[6]C[6a]O[6]O)(S[6]C[6,6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]S[6]HH)(O[6]C[6,6])(OC)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6a]O[6]O)(S[6]C[6,6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]S[6]HH)(O[6]C[6,6])(OC){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]S[6]H)	108.5775	0.023	2	108.5775	0.001	2	108.5775	0.001	2	109.4313	0.226	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(C[6]C[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CF3)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]C)(C[6]C[6]H)(H)2{1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CF3){4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.0820	0.050	4	109.0820	0.002	4	109.2117	0.226	10	109.4116	0.207	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]C)(C[6]C[6]O)(H)2{1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CH3){1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.8635	0.169	2	108.8635	0.029	2	109.2117	0.226	10	109.4116	0.207	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(C[6]C[6a]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CF3)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]C)(C[6]C[6a]C[6])(H)2{1|N<3>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CF3){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.5155	0.663	4	109.5155	0.439	4	109.2117	0.226	10	109.4116	0.207	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(N[6]C[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]O[6]C)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(CH3){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.7387	0.030	4	109.7387	0.001	4	109.7448	0.001	6	109.4116	0.207	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:2:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(N[6]C[6]S)(H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]O[6]C)(N[6]C[6]S)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(CH3){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7570	0.028	2	109.7570	0.001	2	109.7448	0.001	6	109.4116	0.207	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[5]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(F)(H)	C[6](C[5]C[5,6a]C[5])(C[6]C[6]FH)(N[6]C[6]C)(H)	H(C[6]C[6]2F)	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(F)(H){2|C<4>,3|C<3>}	C[6](C[5]C[5,6a]C[5])(C[6]C[6]FH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	H(C[6]C[6]2F)	109.0200	0.000	1	109.0200	0.000	1	109.0200	0.000	1	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]O[6]O)(H)2	C[6](C[5]C[5]S[5])(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]O[6]O)(H)2{1|C<4>,1|S<2>,2|C<3>}	C[6](C[5]C[5]S[5])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4340	0.017	2	109.4340	0.000	2	109.4340	0.000	2	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(H)2	C[6](C[5]C[5,6a]C[5])(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(H)2{2|C<4>,3|C<3>}	C[6](C[5]C[5,6a]C[5])(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	H(C[6]C[6]2H)	109.1545	0.063	2	109.1545	0.004	2	109.1545	0.004	2	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]C[6]O)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]O)(H)2{3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(COO)(H){1|N<3>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	108.1195	0.008	2	108.1195	0.000	2	108.1195	0.000	2	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.3370	0.068	2	109.3370	0.005	2	109.3539	0.064	7	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.4490	0.006	2	109.4490	0.000	2	109.3539	0.064	7	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]S)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,1|S<4>,2|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]S)(H){1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.8160	0.000	1	108.8160	0.000	1	109.3539	0.064	7	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|S<2>,2|C<4>,2|H<1>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.5445	0.018	2	109.5445	0.000	2	109.3539	0.064	7	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]O[6]C)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(CCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]O[6]C)(H)2{1|C<3>,1|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(CCO)(H){1|C<3>,1|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.6345	0.015	2	109.6345	0.000	2	109.6345	0.000	2	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.0725	0.009	2	109.0725	0.000	2	109.0725	0.000	2	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]Br)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]Br)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|Br<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.9440	0.034	2	108.9440	0.001	2	109.1788	0.766	50	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2{1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.2050	0.048	2	109.2050	0.002	2	109.1788	0.766	50	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4080	0.000	1	109.4080	0.000	1	109.1788	0.766	50	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2{1|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.0885	0.059	2	108.9340	0.119	10	109.1788	0.766	50	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2{1|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.6540	0.122	4	108.9340	0.119	10	109.1788	0.766	50	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2{1|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.1367	0.409	4	108.9340	0.119	10	109.1788	0.766	50	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{1|C<2>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.4080	0.018	4	109.0104	1.103	19	109.1788	0.766	50	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{1|C<2>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.1678	0.090	6	109.0104	1.103	19	109.1788	0.766	50	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{1|C<4>,1|S<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|Br<1>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.7505	0.465	6	109.0104	1.103	19	109.1788	0.766	50	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	H(C[6]C[6]2H)	110.6180	3.394	2	109.0104	1.103	19	109.1788	0.766	50	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.8190	0.000	1	109.0104	1.103	19	109.1788	0.766	50	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.9180	0.000	1	108.9180	0.000	1	109.1788	0.766	50	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(H){1|F<1>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	H(C[6]C[6]2H)	109.5175	0.016	2	109.5175	0.000	2	109.1788	0.766	50	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{1|N<2>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0593	0.622	4	109.0593	0.387	4	109.1788	0.766	50	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)2{1|C<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2410	0.000	1	109.2410	0.000	1	109.1788	0.766	50	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)2{1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.8220	0.011	2	108.8220	0.000	2	109.1788	0.766	50	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)2{4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|Br<1>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	109.1165	0.021	2	110.2700	1.276	6	109.1788	0.766	50	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)2{4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	H(C[6]C[6]2H)	110.6505	0.501	2	110.2700	1.276	6	109.1788	0.766	50	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)2{4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	111.0430	1.407	2	110.2700	1.276	6	109.1788	0.766	50	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2{2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.1735	0.013	2	109.1735	0.000	2	108.9713	0.356	209	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.4695	0.062	4	109.7012	0.131	6	108.9713	0.356	209	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	110.1645	0.018	2	109.7012	0.131	6	108.9713	0.356	209	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.0673	0.091	4	108.6583	0.560	6	108.9713	0.356	209	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2{1|S<4>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	107.8405	0.878	2	108.6583	0.560	6	108.9713	0.356	209	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.0800	0.007	2	109.0800	0.000	2	108.9713	0.356	209	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2{1|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.1220	0.033	2	109.5130	0.272	24	108.9713	0.356	209	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6262	0.237	20	109.5130	0.272	24	108.9713	0.356	209	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.7720	1.878	2	109.5130	0.272	24	108.9713	0.356	209	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6810	0.000	1	109.9133	0.157	6	108.9713	0.356	209	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.9598	0.425	5	109.9133	0.157	6	108.9713	0.356	209	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]N)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]N)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.9070	0.008	2	108.9070	0.000	2	108.9713	0.356	209	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.8801	0.388	11	108.6213	0.218	89	108.9713	0.356	209	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.4580	0.007	2	108.6213	0.218	89	108.9713	0.356	209	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.1052	0.194	13	108.6213	0.218	89	108.9713	0.356	209	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){2|H<1>,2|O<1>,3|C<3>}	H(C[6]C[6]2H)	109.1000	0.038	2	108.6213	0.218	89	108.9713	0.356	209	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2070	0.000	1	108.6213	0.218	89	108.9713	0.356	209	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.6372	0.316	37	108.6213	0.218	89	108.9713	0.356	209	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.1705	0.015	2	108.6213	0.218	89	108.9713	0.356	209	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{3|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.0482	0.274	21	108.6213	0.218	89	108.9713	0.356	209	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.9810	0.051	4	109.3093	0.095	44	108.9713	0.356	209	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.1071	0.190	8	109.3093	0.095	44	108.9713	0.356	209	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4608	0.216	6	109.3093	0.095	44	108.9713	0.356	209	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3544	0.218	5	109.3093	0.095	44	108.9713	0.356	209	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3949	0.341	21	109.3093	0.095	44	108.9713	0.356	209	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]N)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]N)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	107.9525	0.012	2	107.8550	0.013	4	108.9713	0.356	209	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]N)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|N<2>,2|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]N)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	107.7575	0.008	2	107.8550	0.013	4	108.9713	0.356	209	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.0065	0.019	2	108.9197	0.170	18	108.9713	0.356	209	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.9806	0.370	8	108.9197	0.170	18	108.9713	0.356	209	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.8370	0.511	8	108.9197	0.170	18	108.9713	0.356	209	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H)2	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(N[6]C[6]S)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.0565	0.009	2	109.0565	0.000	2	108.9713	0.356	209	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H)2{1|C<4>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.9545	0.022	2	108.9330	0.002	4	108.9713	0.356	209	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H)2{1|Si<4>,1|C<4>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.9115	0.060	2	108.9330	0.002	4	108.9713	0.356	209	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:P[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(P[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(P[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.7110	0.277	4	108.7110	0.077	4	108.7110	0.077	4	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CN[5]O)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CN[5]O)(H){3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.0440	0.079	2	109.0440	0.006	2	109.0440	0.006	2	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]N[6]HN)(C[6]N[6]O)(H)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HN)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(NCH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	H(C[6]C[6]2H)	108.7365	0.019	2	108.7365	0.000	2	108.7365	0.000	2	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:Ga[6]-3:H-1:H-1:	Ga[6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]Ga[6]H)(Ga[6]C[6a]C[6])(H)2	C[6](Ga[6]C[6a]C[6])(C[6]Ga[6]HH)(C[6a]C[6a]2)(H)	H(C[6]Ga[6]C[6]H)	C[6](C[6]C[6a]Ga[6]H)(Ga[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,6|C<3>}	C[6](Ga[6]C[6a]C[6])(C[6]Ga[6]HH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	H(C[6]Ga[6]C[6]H)	108.7955	0.036	2	108.7955	0.001	2	108.7955	0.001	2	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCH)(H){1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	108.9955	0.047	2	108.9955	0.002	2	109.0792	0.108	6	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCC)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCC)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.4790	0.013	2	109.4790	0.000	2	109.0792	0.108	6	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2{1|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCH)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	108.7630	0.062	2	108.7630	0.004	2	109.0792	0.108	6	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HN)(N[6]S[6]C)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(NCH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HN)(N[6]S[6]C)(H)2{2|C<3>,2|O<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(NCH)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>,1|S<4>}	H(C[6]C[6]N[6]H)	108.8540	0.010	2	108.8540	0.000	2	108.8540	0.000	2	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2	C[6](C[5a]C[5a]N[5a])(C[6]N[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]N[6]HH)(C[6]C[6]O)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.4588	0.072	4	109.2325	0.126	6	109.2325	0.126	6	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2	C[6](C[5a]C[5a]N[5a])(C[6]N[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]N[6]HH)(C[6]C[6]O)(H){1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	108.7800	0.031	2	109.2325	0.126	6	109.2325	0.126	6	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H)2	C[6](C[5a]C[5a,6a]C[5a])(C[6]N[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]N[6]HH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.7000	0.023	2	109.7000	0.001	2	109.7000	0.001	2	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2{1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	110.0080	0.025	2	109.8357	0.089	3	109.8357	0.089	3	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.4910	0.000	1	109.8357	0.089	3	109.8357	0.089	3	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]C[5]C[6])(C[6]N[6]HH)(CCH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]N[6]HH)(CCH)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]N[6]H)	109.4928	0.178	4	109.4928	0.032	4	109.7131	0.075	8	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CCC)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CCC)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	110.0230	0.025	2	110.0230	0.001	2	109.7131	0.075	8	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CC[6a]O)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CC[6a]O)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.8440	0.103	2	109.8440	0.011	2	109.7131	0.075	8	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:Si-3:H-1:	C[6]-4:	C[6](C[6]C[6]SiH)(N[6]C[6]S)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(SiCC)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]SiH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(SiCC)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.9355	0.012	2	109.9355	0.000	2	109.9355	0.000	2	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6a]C[5a,6a]C[6a])(C[6]N[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[6](C[6a]C[5a,6a]C[6a])(C[6]N[6]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.4985	0.061	4	109.4985	0.004	4	109.7349	0.084	8	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	110.1510	0.035	2	109.9712	0.044	4	109.7349	0.084	8	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.7915	0.045	2	109.9712	0.044	4	109.7349	0.084	8	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5210	1.438	4	109.5210	2.067	4	109.4309	0.537	13	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5045	0.008	2	109.4295	0.008	4	109.4309	0.537	13	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]H)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3545	0.029	2	109.4295	0.008	4	109.4309	0.537	13	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]S)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]S)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.1455	0.005	2	109.1455	0.000	2	109.4309	0.537	13	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6a]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]O)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6a]C[6])(H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]O)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.5030	0.041	3	109.5030	0.002	3	109.4309	0.537	13	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]N[5a,6]CH)(N[6]C[6]C)(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(CCH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5a,6]CH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(CCH)(H){2|C<4>,3|C<3>}	H(C[6]C[6]N[6]H)	109.5415	0.033	2	109.5415	0.001	2	109.5415	0.001	2	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]N[6,6a]CH)(N[6]C[6]C)(H)2	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6,6a]CH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.8250	0.065	2	109.8250	0.004	2	109.8250	0.004	2	109.0925	0.418	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]O[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(CN)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]O[6]O)(H)2{4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(CN){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.8775	0.035	2	108.8775	0.001	2	108.8775	0.001	2	109.7316	0.200	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:2:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(N[6]C[6]S)(H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]C)(OC)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]O)(N[6]C[6]S)(H)2{2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]C)(OC){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2745	0.006	2	109.2745	0.000	2	109.8536	0.102	14	109.7316	0.200	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:2:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(N[6]C[6]S)(H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]C)(OH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]O)(N[6]C[6]S)(H)2{2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]C)(OH){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9502	0.223	12	109.9502	0.050	12	109.8536	0.102	14	109.7316	0.200	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(COO)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9130	0.010	2	108.9130	0.000	2	108.9130	0.000	2	109.4615	0.467	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(COO){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.3310	0.188	2	109.3310	0.035	2	109.3310	0.035	2	109.4615	0.467	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:N-3:N-3:	C[6]-4:	C[6](C[6]C[5,6]NN)(N[6]C[6]S)(H)2	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(NOO)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]NN)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(NOO)2{1|S<4>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	110.2595	0.074	2	110.2595	0.006	2	110.2595	0.006	2	109.4615	0.467	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[5a]C[6]C)(N[6]C[6]C)(H)2	C[6](C[5a]C[5a]N[5a])(C[6]N[6]HH)(C[6]C[6]O)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]N[6]HH)(C[6]C[6]O)(COO){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.6540	0.052	2	108.6540	0.003	2	108.6540	0.003	2	109.4615	0.467	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:N-3:N-3:	C[6]-4:	C[6](C[6]C[6,6]NN)(N[6]C[6]N)(H)2	C[6](C[6,6]N[6,6]N[6])(C[6]N[6]HH)(NOO)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]NN)(N[6]C[6]N)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]N[6]HH)(NOO)2{1|N<3>,3|C<4>}	H(C[6]C[6]N[6]H)	110.1500	0.023	2	110.1500	0.001	2	110.1500	0.001	2	109.4615	0.467	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(CH3){2|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.0275	0.027	4	109.0275	0.001	4	109.0275	0.001	4	109.3723	0.223	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]N[6]C)(C[6]C[6a]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]C)(C[6]C[6a]C[6])(H)2{1|C<2>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(CH3){2|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.8063	0.594	4	109.8063	0.353	4	109.8063	0.353	4	109.3723	0.223	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)(CC[6a]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2832	0.206	4	109.2832	0.042	4	109.2832	0.042	4	109.3723	0.223	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(F)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HO)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(F)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HO)(H){1|F<1>,3|C<3>,4|H<1>}	H(C[6]C[6]2F)	108.8010	0.000	1	108.8010	0.000	1	108.8010	0.000	1	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2050	0.209	7	109.2050	0.044	7	109.2050	0.044	7	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]C[6]O)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	108.3905	0.005	2	108.3905	0.000	2	108.9423	0.156	9	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]N[6]O)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	H(C[6]C[6]2H)	109.1875	0.172	6	109.1875	0.029	6	108.9423	0.156	9	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]N[6]O)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6]N[6]O)(H)2{1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CH3)(H){1|N<2>,1|O<1>,3|N<3>}	H(C[6]C[6]2H)	108.5750	0.000	1	108.5750	0.000	1	108.9423	0.156	9	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)2	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|C<2>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.3945	0.037	2	109.3945	0.001	2	109.0916	0.663	15	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)2	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	H(C[6]C[6]2H)	108.9560	0.000	1	108.9560	0.000	1	109.0916	0.663	15	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)2	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.3740	0.063	4	108.3740	0.004	4	109.0916	0.663	15	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CO)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CO)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.8635	0.053	2	108.8635	0.003	2	109.0916	0.663	15	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]OO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]OO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[6]C[6]2H)	110.9210	0.035	2	110.9210	0.001	2	109.0916	0.663	15	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7870	0.014	2	108.7870	0.000	2	109.0916	0.663	15	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.9950	0.035	2	108.9950	0.001	2	109.0916	0.663	15	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[5,6]H)(H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[5,6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2400	0.068	2	109.2400	0.005	2	109.1198	0.010	6	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2{1|C<4>,2|C<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	109.0598	0.037	4	109.0598	0.001	4	109.1198	0.010	6	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC3)(H){1|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.7972	0.200	4	108.7972	0.040	4	108.7145	1.122	23	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H){1|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.5965	0.047	2	109.5965	0.002	2	108.7145	1.122	23	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.3492	0.177	4	109.3492	0.031	4	108.7145	1.122	23	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.1240	0.025	2	109.1240	0.001	2	108.7145	1.122	23	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H){1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	109.3330	0.028	2	109.3330	0.001	2	108.7145	1.122	23	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.4880	0.007	2	109.4880	0.000	2	108.7145	1.122	23	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	107.9765	0.036	2	107.9765	0.001	2	108.7145	1.122	23	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	108.4140	0.000	1	108.4140	0.000	1	108.7145	1.122	23	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	108.4565	0.015	2	108.4565	0.000	2	108.7145	1.122	23	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	105.7425	0.008	2	105.7425	0.000	2	108.7145	1.122	23	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	H(C[6]C[6]2H)	108.8941	0.394	7	108.8941	0.155	7	108.8941	0.155	7	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[5]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]N[6]H)(H)2	C[6](C[6]C[6]N[6])(C[5]C[5]2Fe)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]N[6]H)(H)2{1|Fe<10>,1|C<3>,1|N<3>,2|C<4>}	C[6](C[6]C[6]N[6])(C[5]C[5]2Fe)(C[6]C[6]HH)(H){1|Re<6>,1|C<3>,1|N<2>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8660	0.000	1	109.8660	0.000	1	109.8660	0.000	1	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.7840	0.000	1	108.7840	0.000	1	109.2298	0.168	5	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CH3)(H){1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.3413	0.376	4	109.3413	0.141	4	109.2298	0.168	5	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.6163	0.911	4	108.6163	0.829	4	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]C[6])(H)2{1|N<2>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|Cl<1>,1|H<1>,1|O<1>,4|C<3>}	H(C[6]C[6]2H)	109.2735	0.005	2	109.2265	0.004	6	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]C[6])(H)2{1|N<3>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.1420	0.021	2	109.2265	0.004	6	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]C[6])(H)2{1|O<2>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.2640	0.014	2	109.2265	0.004	6	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.8497	0.246	3	108.8319	0.034	7	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.8185	0.166	4	108.8319	0.034	7	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.7522	0.232	6	108.7999	0.046	8	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.9430	0.006	2	108.7999	0.046	8	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2{3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.7980	0.033	2	108.7908	0.001	4	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2{3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.7835	0.021	2	108.7908	0.001	4	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.0120	0.024	2	109.1543	0.013	6	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2255	0.038	4	109.1543	0.013	6	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H){3|C<3>,5|H<1>}	H(C[6]C[6]2H)	108.8690	0.230	4	108.8690	0.053	4	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){4|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.9925	0.318	10	108.9925	0.101	10	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2230	0.024	2	109.2230	0.001	2	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1445	0.161	4	108.8417	0.360	10	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2680	0.023	2	108.8417	0.360	10	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){3|C<3>,5|H<1>}	H(C[6]C[6]2H)	107.7420	0.030	2	108.8417	0.360	10	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){3|C<3>,5|H<1>}	H(C[6]C[6]2H)	108.9095	0.022	2	108.8417	0.360	10	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<2>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1080	0.010	2	109.1080	0.000	2	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0205	0.012	2	108.8877	0.075	8	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.8435	0.310	6	108.8877	0.075	8	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|F<1>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.9235	0.032	2	108.9342	0.000	4	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|F<1>,1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.9450	0.004	2	108.9342	0.000	4	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.7875	0.021	2	109.1051	0.354	10	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.6538	0.069	4	109.1051	0.354	10	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.3120	0.047	2	109.1051	0.354	10	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	110.1185	0.097	2	109.1051	0.354	10	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4779	0.083	7	109.4834	0.010	11	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4930	0.144	4	109.4834	0.010	11	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.8270	0.000	1	109.0671	0.057	9	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.0971	0.237	8	109.0671	0.057	9	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]OO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]OO)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	111.2565	0.552	2	111.2565	0.305	2	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2020	0.152	6	109.1034	0.161	31	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.3890	0.285	4	109.1034	0.161	31	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2195	0.016	2	109.1034	0.161	31	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5235	0.009	2	109.1034	0.161	31	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1870	0.000	1	109.1034	0.161	31	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<1>,2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6]2H)	108.5505	0.018	2	109.1034	0.161	31	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.4913	0.257	4	109.1034	0.161	31	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	H(C[6]C[6]2H)	109.2268	0.060	4	109.1034	0.161	31	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.5480	0.028	2	109.1034	0.161	31	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.4235	0.307	4	109.1034	0.161	31	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2{2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|Cl<1>,1|H<1>,1|O<1>,4|C<3>}	H(C[6]C[6]2H)	109.0930	0.000	1	108.9735	0.029	22	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2{2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.9678	0.171	21	108.9735	0.029	22	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2{1|S<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HS)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.9455	0.100	2	108.9455	0.010	2	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2{3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.1725	0.029	2	109.1725	0.001	2	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.8473	0.091	4	108.3958	0.218	10	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	107.9365	0.592	2	108.3958	0.218	10	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	H(C[6]C[6]2H)	108.1740	0.229	4	108.3958	0.218	10	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.6810	0.044	2	108.6810	0.002	2	109.0120	0.222	176	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2340	0.000	1	109.2340	0.000	1	109.2340	0.000	1	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:P[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(P[6]C[6]2O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(P[6]C[6]2O)(H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2422	0.043	4	109.2422	0.002	4	109.2422	0.002	4	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]C[6]H)(C[6]C[6]H)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]2O)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]2O)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.0178	0.541	4	109.0178	0.293	4	109.0178	0.293	4	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]O)(H)2	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	H(C[6]C[6]2H)	109.0740	0.016	2	109.0740	0.000	2	109.0992	0.001	4	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]O)(H)2	C[6](N[5a]N[5a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|N<2>,4|H<1>}	C[6](N[5a]N[5a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1245	0.018	2	109.1245	0.000	2	109.0992	0.001	4	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](N[6,6]C[6,6]S[6])(C[6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]C[6]H)(C[6]C[6]O)(H)2{1|S<4>,3|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]S[6])(C[6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|O<1>,5|H<1>}	H(C[6]C[6]2H)	108.9930	0.021	2	108.9930	0.000	2	108.9930	0.000	2	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]N)(H)2	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(CCHH)(H){1|N<2>,3|C<4>}	H(C[6]C[6]2H)	109.9715	0.036	2	109.9715	0.001	2	110.3575	0.532	4	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(CCCH)(H){1|O<1>,3|C<4>}	H(C[6]C[6]2H)	110.7435	0.999	2	110.7435	0.998	2	110.3575	0.532	4	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(CHHP)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(CHHP)(H){1|C<2>,1|C<4>,3|C<3>}	H(C[6]C[6]N[6]H)	109.3995	0.039	2	109.3995	0.002	2	109.5433	0.049	6	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCHH)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.6405	0.019	2	109.6405	0.000	2	109.5433	0.049	6	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CF3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2{1|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CF3)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.2920	0.000	1	109.2920	0.000	1	109.5433	0.049	6	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CHHN)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CHHN)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.8880	0.000	1	109.8880	0.000	1	109.5433	0.049	6	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2	C[6](C[5a]N[5a]O[5a])(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[6](C[5a]N[5a]O[5a])(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5733	0.139	4	109.5733	0.019	4	109.5374	0.021	5	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(N[6]C[6]H)(H)2	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HW)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|W<7>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HW)(C[6]N[6]HH)(H){3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3940	0.000	1	109.3940	0.000	1	109.5374	0.021	5	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CBrCH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CBrCH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.9035	0.016	2	109.9035	0.000	2	109.8298	0.132	16	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.3570	0.004	2	109.3570	0.000	2	109.8298	0.132	16	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[3]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[3]HH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	110.0575	0.008	2	110.0575	0.000	2	109.8298	0.132	16	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]HH)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.7030	0.025	2	109.7030	0.001	2	109.8298	0.132	16	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(N[6]C[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CHHS)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]O)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CHHS)(H){1|Cl<1>,1|O<2>,3|C<3>}	H(C[6]C[6]N[6]H)	109.6590	0.010	2	109.6590	0.000	2	109.8298	0.132	16	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(N[6]C[6]S)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(CHHI)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(CHHI)(H){1|C<4>,1|S<4>,3|C<3>}	H(C[6]C[6]N[6]H)	110.1820	0.075	5	110.1820	0.006	5	109.8298	0.132	16	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(N[6]S[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]CH)(N[6]S[6]H)(H)2{2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(H){1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.0070	0.000	1	109.0070	0.000	1	109.8298	0.132	16	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(N[6]S[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(NCHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HN)(N[6]S[6]H)(H)2{2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(NCHH)(H){1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	108.9497	0.167	3	108.9497	0.028	3	108.9497	0.028	3	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[5]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(N[6]C[6,6a]S)(H)2	C[6](C[6]C[6,6a]O)(C[5]C[5]2H)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5]C[6]H)(N[6]C[6,6a]S)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]O)(C[5]C[5]2H)(C[6]N[6]HH)(H){1|N<3>,1|S<4>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.6450	0.055	2	109.6450	0.003	2	109.6450	0.003	2	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CCCN)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CCCN)(H){1|C<4>,2|C<3>,2|S<4>}	H(C[6]C[6]N[6]H)	109.8375	0.009	2	109.8375	0.000	2	110.0721	0.038	7	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CClCC)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CClCC)(H){1|S<4>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	110.0200	0.068	2	110.0200	0.005	2	110.0721	0.038	7	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CH3)(H){1|B<4>,1|C<4>,1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	110.2390	0.000	1	110.2390	0.000	1	110.0721	0.038	7	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CHHN)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CHHN)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	110.2755	0.005	2	110.2755	0.000	2	110.0721	0.038	7	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.9040	0.000	1	108.6023	1.324	3	109.3574	0.665	9	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	107.9515	0.326	2	108.6023	1.324	3	109.3574	0.665	9	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.7625	0.018	2	109.8233	0.005	4	109.3574	0.665	9	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(C[6]N[6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.8840	0.007	2	109.8233	0.005	4	109.3574	0.665	9	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]HH)(H){3|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.5585	0.028	2	109.5585	0.001	2	109.3574	0.665	9	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(N[6]C[6]C)(H)2	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5a]C[6]H)(N[6]C[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]N[6]HH)(H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.0140	0.000	1	109.0140	0.000	1	109.0140	0.000	1	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:1:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(S[6]N[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCHH)(H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6,6a]CH)(S[6]N[6]O)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCHH)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	H(C[6]C[6]S[6]H)	109.2650	0.000	1	109.2650	0.000	1	109.2650	0.000	1	109.1194	0.369	319	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[5a]C[6]C)(C[6]C[6]C)(H)2	C[6](C[5a]N[5a]S[5a])(C[6]C[6a]O[6]H)(C[6]C[6]HH)(CN)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]C)(C[6]C[6]C)(H)2{1|C<3>,1|N<2>,1|O<2>,1|S<2>,3|H<1>}	C[6](C[5a]N[5a]S[5a])(C[6]C[6a]O[6]H)(C[6]C[6]HH)(CN){1|C<4>,5|C<3>}	H(C[6]C[6]2H)	109.3700	0.000	1	109.3700	0.000	1	109.3700	0.000	1	108.8521	0.188	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]CO)(C[6]N[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CO)(C[6]N[6]C)(H)2{1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(OH){1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]2H)	108.7810	0.176	4	108.7810	0.031	4	108.6410	0.066	6	108.8521	0.188	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]CO)(C[6]N[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CF3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CO)(C[6]N[6]O)(H)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CF3)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	108.3610	0.018	2	108.3610	0.000	2	108.6410	0.066	6	108.8521	0.188	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6]2O)(C[6]C[6]O)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]HH)2(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]2O)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)2(OH){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	H(C[6]C[6]2H)	108.4570	0.004	2	108.4570	0.000	2	108.4570	0.000	2	108.8521	0.188	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]N)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]N)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.4060	0.007	2	108.4060	0.000	2	109.0444	0.218	8	108.8521	0.188	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.9140	0.033	2	109.0975	0.045	4	109.0444	0.218	8	108.8521	0.188	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	H(C[6]C[6]2H)	109.2810	0.014	2	109.0975	0.045	4	109.0444	0.218	8	108.8521	0.188	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5765	0.025	2	109.5765	0.001	2	109.0444	0.218	8	108.8521	0.188	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]CC)(C[6]C[6]C)(H)2	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(CH3)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CC)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<2>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(CH3)(COO){4|C<3>}	H(C[6]C[6]2H)	108.6980	0.011	2	108.6980	0.000	2	108.6980	0.000	2	108.7331	0.104	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(COO){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.9190	0.000	1	108.6745	0.027	4	108.7401	0.127	10	108.7331	0.104	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)2{3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(COO){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.5930	0.021	3	108.6745	0.027	4	108.7401	0.127	10	108.7331	0.104	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]N)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CCO)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]N)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CCO){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3640	0.021	2	109.3640	0.000	2	108.7401	0.127	10	108.7331	0.104	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]O)(H)2{3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(COO){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.4938	0.081	4	108.4938	0.007	4	108.7401	0.127	10	108.7331	0.104	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0450	0.000	1	109.0580	0.008	5	109.0580	0.008	5	108.9462	0.831	55	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0613	0.101	4	109.0580	0.008	5	109.0580	0.008	5	108.9462	0.831	55	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.0465	0.021	2	109.0465	0.000	2	109.5514	1.113	18	108.9462	0.831	55	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]N[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]N[6]O)(H)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.1402	0.120	4	109.2315	0.029	6	109.5514	1.113	18	108.9462	0.831	55	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]N[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]N[6]O)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.4140	0.008	2	109.2315	0.029	6	109.5514	1.113	18	108.9462	0.831	55	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]O[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]O[6]O)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	108.1595	0.006	2	108.1595	0.000	2	109.5514	1.113	18	108.9462	0.831	55	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]O[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]O[6]O)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	110.2655	1.177	8	110.2655	1.385	8	109.5514	1.113	18	108.9462	0.831	55	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CHHO)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CHHO){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.5100	0.223	2	108.5100	0.050	2	108.7644	0.049	7	108.9462	0.831	55	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CHHN)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CHHN){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.7635	0.008	2	108.7635	0.000	2	108.7644	0.049	7	108.9462	0.831	55	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(H)2{1|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6]2H)	108.9347	0.121	3	108.9347	0.015	3	108.7644	0.049	7	108.9462	0.831	55	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]N[5,6]CC)(C[6]C[6,6a]O)(H)2	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]CC)(C[6]C[6,6a]O)(H)2{3|C<3>}	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,2|O<1>}	H(C[6]C[6]2H)	108.5060	0.000	1	108.5060	0.000	1	108.4141	1.053	7	108.9462	0.831	55	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]N[5,6]CC)(C[6]N[5,6]C)(H)2	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]CC)(C[6]N[5,6]C)(H)2{1|Si<5>,2|N<2>}	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	108.3988	1.123	6	108.3988	1.261	6	108.4141	1.053	7	108.9462	0.831	55	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	P[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2	C[6](P[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](P[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.1803	0.148	4	109.1803	0.022	4	109.1803	0.022	4	108.9462	0.831	55	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	108.9720	0.051	4	108.9720	0.003	4	109.1433	0.072	6	108.9462	0.831	55	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.4860	0.021	2	109.4860	0.000	2	109.1433	0.072	6	108.9462	0.831	55	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	3:4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(N[6]Nb[6]Si)(H)2	C[6](C[6a]C[6a]N[6a])(C[6]N[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]C)(N[6]Nb[6]Si)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|N<2>}	C[6](C[6a]C[6a]N[6a])(C[6]N[6]HH)2(CH3){1|Nb<4>,2|Si<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	107.8743	0.233	8	107.8743	0.054	8	107.8743	0.054	8	108.9462	0.831	55	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|S<4>}	C[6](C[6]C[6]HH)(N[6]C[6])(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.7965	0.158	4	109.7965	0.025	4	109.7965	0.025	4	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.7110	0.008	2	109.7110	0.000	2	109.4834	0.579	25	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.4620	2.124	2	108.8795	2.114	6	109.4834	0.579	25	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)(C[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5883	0.100	4	108.8795	2.114	6	109.4834	0.579	25	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5835	0.025	4	109.5835	0.001	4	109.4834	0.579	25	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2{1|Br<1>,1|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.5913	0.103	3	109.6963	0.034	13	109.4834	0.579	25	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	110.0820	0.016	2	109.6963	0.034	13	109.4834	0.579	25	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.5395	0.035	2	109.6963	0.034	13	109.4834	0.579	25	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|I<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.7155	0.039	2	109.6963	0.034	13	109.4834	0.579	25	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2{1|Cl<1>,1|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.6510	0.013	4	109.6963	0.034	13	109.4834	0.579	25	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,1|O<2>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.6650	0.018	2	109.3114	0.199	14	108.7149	0.754	28	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.2525	0.457	12	109.3114	0.199	14	108.7149	0.754	28	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	107.5691	0.518	8	108.1183	0.601	14	108.7149	0.754	28	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.7343	0.215	4	108.1183	0.601	14	108.7149	0.754	28	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|N<2>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.0830	0.064	2	108.1183	0.601	14	108.7149	0.754	28	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<2>,2|C<4>}	C[6](C[6]N[6]HH)(C[6]C[6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.3710	0.040	2	109.3710	0.002	2	109.3710	0.002	2	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6])(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.0505	3.357	4	110.0505	11.270	4	109.9541	4.842	8	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6])(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.8577	0.061	4	109.8577	0.004	4	109.9541	4.842	8	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8019	0.121	8	109.7228	0.175	111	109.6929	0.481	1859	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7798	0.198	4	109.7228	0.175	111	109.6929	0.481	1859	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8935	0.051	4	109.7228	0.175	111	109.6929	0.481	1859	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|H<1>,2|N<2>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	108.1040	0.697	2	109.7228	0.175	111	109.6929	0.481	1859	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8660	0.000	1	109.7228	0.175	111	109.6929	0.481	1859	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6107	0.780	16	109.7228	0.175	111	109.6929	0.481	1859	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7558	0.799	4	109.7228	0.175	111	109.6929	0.481	1859	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6880	0.173	10	109.7228	0.175	111	109.6929	0.481	1859	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8275	0.052	4	109.7228	0.175	111	109.6929	0.481	1859	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|H<1>,2|N<2>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8305	0.171	27	109.7228	0.175	111	109.6929	0.481	1859	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8190	0.061	11	109.7228	0.175	111	109.6929	0.481	1859	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{2|H<1>,3|C<4>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8342	0.092	4	109.7228	0.175	111	109.6929	0.481	1859	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{3|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6437	0.108	16	109.7228	0.175	111	109.6929	0.481	1859	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]N[6]H)	109.6745	0.019	2	109.6829	0.548	1498	109.6929	0.481	1859	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6475	0.012	4	109.6829	0.548	1498	109.6929	0.481	1859	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.7665	0.018	2	109.6829	0.548	1498	109.6929	0.481	1859	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<2>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9636	0.237	27	109.6829	0.548	1498	109.6929	0.481	1859	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7160	0.930	695	109.6829	0.548	1498	109.6929	0.481	1859	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6430	0.529	764	109.6829	0.548	1498	109.6929	0.481	1859	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|H<1>,2|C<4>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]N[6]H)	109.9735	0.037	2	109.6829	0.548	1498	109.6929	0.481	1859	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|H<1>,2|C<4>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2720	0.004	2	109.6829	0.548	1498	109.6929	0.481	1859	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.8620	0.021	2	109.3659	0.175	54	109.6929	0.481	1859	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]H)(H)2{1|C<3>,2|C<4>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.0863	0.015	4	109.3659	0.175	54	109.6929	0.481	1859	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]H)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4103	0.422	48	109.3659	0.175	54	109.6929	0.481	1859	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7938	0.207	29	109.8248	0.034	41	109.6929	0.481	1859	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8997	0.080	12	109.8248	0.034	41	109.6929	0.481	1859	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,1|P<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6005	0.048	4	109.7304	0.043	112	109.6929	0.481	1859	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7378	0.209	100	109.7304	0.043	112	109.6929	0.481	1859	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,1|P<5>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7035	0.244	8	109.7304	0.043	112	109.6929	0.481	1859	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]Ru)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]Ru)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Ru<9>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	111.1183	1.871	4	111.1183	3.502	4	109.6929	0.481	1859	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6,6])(H)2{1|S<4>,3|C<4>}	H(C[6]C[6]N[6]H)	109.9905	0.012	2	109.9905	0.000	2	109.6929	0.481	1859	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9032	0.044	4	110.0564	0.234	37	109.6929	0.481	1859	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9924	0.179	29	110.0564	0.234	37	109.6929	0.481	1859	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]N[6]H)	110.6737	1.388	4	110.0564	0.234	37	109.6929	0.481	1859	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]S[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4173	0.047	6	109.4173	0.002	6	109.0654	0.785	51	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3349	0.147	16	108.9731	1.015	38	109.0654	0.785	51	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(S[6]C[6])(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.7099	1.265	22	108.9731	1.015	38	109.0654	0.785	51	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]S[6]HH)(N[6]C[6]H)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(S[6]C[6])(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4580	0.019	3	109.4580	0.000	3	109.0654	0.785	51	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]S[6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(S[6]C[6])(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.1205	0.207	4	109.1205	0.043	4	109.0654	0.785	51	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:Se[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]Se[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(Se[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]Se[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(Se[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5201	0.584	8	109.5201	0.342	8	109.4111	0.245	12	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:Se[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]Se[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(Se[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]Se[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(Se[6]C[6])(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.1930	0.089	4	109.1930	0.008	4	109.4111	0.245	12	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:O[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6]Cu)(H)2	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6]Cu)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|Cu<5>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4323	0.160	13	109.4323	0.025	13	109.5710	1.260	45	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:O[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6]Li)(H)2	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6]Li)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|Li<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.6100	0.093	5	109.5689	0.026	9	109.5710	1.260	45	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:O[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6]Li)(H)2	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6]Li)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|Li<4>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.5175	0.225	4	109.5689	0.026	9	109.5710	1.260	45	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:O[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6]Mg)(H)2	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6]Mg)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|Mg<4>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.7467	0.125	19	109.7467	0.016	19	109.5710	1.260	45	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:O[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6]Mn)(H)2	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6]Mn)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|Mn<6>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.7180	0.730	2	109.7180	0.533	2	109.5710	1.260	45	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:O[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6]W)(H)2	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6]W)(H)2{1|C<3>,1|H<1>}	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|W<6>}	H(C[6]C[6]O[6]H)	108.6665	7.183	2	108.6665	51.603	2	109.5710	1.260	45	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(S[6]C[6]B)(H)2	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]O[6]HH)(S[6]C[6]B)(H)2{1|C<4>,2|H<1>}	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{1|B<4>,1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	109.6815	0.121	4	109.6815	0.015	4	109.6081	0.135	34	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(S[6]C[6]O)(H)2	C[6](C[6]S[6]HH)(O[6]N[6])(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]O[6]HH)(S[6]C[6]O)(H)2{1|C<3>,1|N<2>}	C[6](C[6]S[6]HH)(O[6]N[6])(H)2{1|C<3>,1|O<1>}	H(C[6]C[6]S[6]H)	110.0495	0.008	2	110.0495	0.000	2	109.6081	0.135	34	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(S[6]C[6]Os)(H)2	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]O[6]HH)(S[6]C[6]Os)(H)2{1|C<4>,2|H<1>}	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{1|Os<3>,1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	109.2195	0.637	4	109.2469	0.313	8	109.6081	0.135	34	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(S[6]C[6]Os)(H)2	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]O[6]HH)(S[6]C[6]Os)(H)2{1|C<4>,2|H<1>}	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{1|Os<4>,1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	109.2742	0.568	4	109.2469	0.313	8	109.6081	0.135	34	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(S[6]C[6]Pd)(H)2	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]O[6]HH)(S[6]C[6]Pd)(H)2{1|C<4>,2|H<1>}	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{1|Pd<4>,1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	109.7403	0.186	8	109.7403	0.035	8	109.6081	0.135	34	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:1:1:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(S[6]C[6]Ru)(H)2	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]O[6]HH)(S[6]C[6]Ru)(H)2{1|C<4>,2|H<1>}	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{1|Ru<6>,1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	109.6628	0.176	12	109.6628	0.031	12	109.6081	0.135	34	109.6569	0.538	2068	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-2:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CC)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CC)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.0157	0.053	4	109.0157	0.003	4	109.0157	0.003	4	109.0157	0.003	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:3:1:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(F)(H)	C[6](C[6]C[6]FH)(O[6]C[6])(CCH)(H)	H(C[6]C[6]2F)	C[6](C[6]O[6]CH)(C[6]C[6]H)(F)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]FH)(O[6]C[6])(CCH)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2F)	110.1945	0.118	2	110.1945	0.014	2	110.1945	0.014	2	110.0888	0.714	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	111.9500	1.437	2	111.9500	2.065	2	110.5575	3.274	4	110.0888	0.714	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6a]O)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6a]O)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.1650	0.047	2	109.1650	0.002	2	110.5575	3.274	4	110.0888	0.714	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CNO)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(CNO)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.8420	0.066	2	109.8420	0.004	2	109.9150	0.094	12	110.0888	0.714	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CCH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(CCH)(H){1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.8902	0.370	8	109.9296	0.113	10	109.9150	0.094	12	110.0888	0.714	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CCH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(CCH)(H){1|C<4>,1|O<1>,1|S<4>}	H(C[6]C[6]N[6]H)	110.0870	0.013	2	109.9296	0.113	10	109.9150	0.094	12	110.0888	0.714	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-3:C-3:	C[6]-4:	C[6](C[6]O[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(COO)2	H(C[6]C[6]2H)	C[6](C[6]O[6]CC)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(COO)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.7990	0.008	2	109.7990	0.000	2	109.7990	0.000	2	109.7990	0.000	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-4:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]O[6]H)(C[6]C[6,6a]O)(H)2	C[6](C[5]C[5]O[5]C)(O[6]C[6,6a])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]O[6]H)(C[6]C[6,6a]O)(H)2{1|C<4>,1|O<2>,3|C<3>}	C[6](C[5]C[5]O[5]C)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|H<1>,1|O<1>,4|C<3>}	H(C[6]C[6]2H)	108.8466	0.252	7	108.8466	0.063	7	108.8466	0.063	7	109.6340	1.576	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	109.4060	0.000	1	109.4060	0.000	1	109.7504	2.791	41	109.6340	1.576	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CH)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CH)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	109.4020	3.934	2	109.4020	15.479	2	109.7504	2.791	41	109.6340	1.576	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CO)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CO)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	110.1305	0.507	2	110.1305	0.257	2	109.7504	2.791	41	109.6340	1.576	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.6015	0.060	2	109.6015	0.004	2	109.7504	2.791	41	109.6340	1.576	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CC3)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.6560	0.024	4	109.6560	0.001	4	109.7504	2.791	41	109.6340	1.576	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.5245	0.023	2	108.7027	1.077	6	109.7504	2.791	41	109.6340	1.576	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.3795	0.170	2	108.7027	1.077	6	109.7504	2.791	41	109.6340	1.576	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2040	0.013	2	108.7027	1.077	6	109.7504	2.791	41	109.6340	1.576	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.8685	0.077	6	109.8685	0.006	6	109.7504	2.791	41	109.6340	1.576	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CH)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CH)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.2210	0.795	2	109.2210	0.632	2	109.7504	2.791	41	109.6340	1.576	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]N)(H)2{3|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.5355	0.069	2	109.5355	0.005	2	109.7504	2.791	41	109.6340	1.576	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.5450	0.020	2	109.5450	0.000	2	109.7504	2.791	41	109.6340	1.576	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<2>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.5060	0.411	4	109.4310	0.115	6	109.7504	2.791	41	109.6340	1.576	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.2810	0.010	2	109.4310	0.115	6	109.7504	2.791	41	109.6340	1.576	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	108.6430	0.112	2	108.6430	0.012	2	109.7504	2.791	41	109.6340	1.576	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]N[6]O)(H)2{2|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|N<3>,2|O<1>}	H(C[6]C[6]2H)	112.6460	5.462	2	112.6460	29.830	2	109.7504	2.791	41	109.6340	1.576	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]O[6]C)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]O[6]C)(H)2{1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H){1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	113.1375	2.920	2	113.1375	8.524	2	109.7504	2.791	41	109.6340	1.576	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]S[6]CH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]S[6]CH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(S[6]C[6])(CH3)(H){1|N<3>,2|O<1>}	H(C[6]C[6]2H)	108.3540	0.086	2	108.3540	0.007	2	108.3540	0.007	2	109.6340	1.576	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(CCHH)(H){4|C<4>}	H(C[6]C[6]N[6]H)	109.8528	0.101	4	109.8528	0.010	4	109.7282	0.349	35	109.6340	1.576	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.5455	0.021	2	109.5360	0.006	6	109.7282	0.349	35	109.6340	1.576	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H){1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.5312	0.100	4	109.5360	0.006	6	109.7282	0.349	35	109.6340	1.576	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H){1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.8235	0.013	2	109.8235	0.000	2	109.7282	0.349	35	109.6340	1.576	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]H)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2360	0.000	1	109.2360	0.000	1	109.7282	0.349	35	109.6340	1.576	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(O[6]C[6,6])(CClHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6,6])(CClHH)(H){1|S<4>,3|C<4>}	H(C[6]C[6]N[6]H)	110.1040	0.014	2	110.1040	0.000	2	109.7282	0.349	35	109.6340	1.576	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(CCHH)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.1275	0.094	2	110.1275	0.009	2	109.7282	0.349	35	109.6340	1.576	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CClHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(CClHH)(H){1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.5920	0.004	2	109.9632	0.111	6	109.7282	0.349	35	109.6340	1.576	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CClHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(CClHH)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9615	0.016	2	109.9632	0.111	6	109.7282	0.349	35	109.6340	1.576	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CClHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(CClHH)(H){1|S<4>,3|C<4>}	H(C[6]C[6]N[6]H)	110.3360	0.031	2	109.9632	0.111	6	109.7282	0.349	35	109.6340	1.576	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7155	0.169	6	109.7155	0.029	6	109.7282	0.349	35	109.6340	1.576	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CHHN)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(CHHN)(H){1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	107.9180	0.014	2	109.0925	2.604	4	109.7282	0.349	35	109.6340	1.576	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CHHN)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|H<1>,2|C<4>}	C[6](C[6]N[6]HH)(O[6]C[6])(CHHN)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.2670	1.515	2	109.0925	2.604	4	109.7282	0.349	35	109.6340	1.576	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(CHHO)(H){1|O<2>,1|S<4>,2|C<4>}	H(C[6]C[6]N[6]H)	110.0355	0.021	2	110.0355	0.000	2	109.7282	0.349	35	109.6340	1.576	85	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6]O[6]CO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]CO)(OH)	H(C[6]C[6]2H)	C[6](C[6]O[6]CO)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]CO)(OH){1|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.2545	0.019	2	109.2545	0.000	2	109.2545	0.000	2	109.2738	0.001	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:4:2:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6]O[6]CO)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(OC)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CO)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(OC){1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]N[6]H)	109.2930	0.044	2	109.2930	0.002	2	109.2930	0.002	2	109.2738	0.001	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-4:O[6]-2:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5]O[6]C)(C[6]C[6,6a]O)(H)2	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[5]O[6]C)(C[6]C[6,6a]O)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(COO){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.5575	0.030	2	109.5634	0.091	10	109.5634	0.091	10	109.5634	0.091	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-4:O[6]-2:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5]O[6]C)(C[6]C[6,6a]O)(H)2	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[5]O[6]C)(C[6]C[6,6a]O)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(COO){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	109.5962	0.398	6	109.5634	0.091	10	109.5634	0.091	10	109.5634	0.091	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-4:O[6]-2:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5]O[6]C)(C[6]C[6,6a]O)(H)2	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[5]O[6]C)(C[6]C[6,6a]O)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(COO){1|H<1>,1|O<1>,4|C<3>}	H(C[6]C[6]2H)	109.4710	0.006	2	109.5634	0.091	10	109.5634	0.091	10	109.5634	0.091	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-4:O[6]-2:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5]O[6]C)(C[6]C[6,6a]O)(H)2	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[5]O[6]C)(C[6]C[6,6a]O)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.9235	0.021	2	108.9235	0.000	2	108.9235	0.000	2	109.0249	0.119	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]O[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2	H(C[6]C[6]2H)	C[6](C[6]O[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.0940	0.041	2	109.2145	0.013	6	109.0421	0.111	8	109.0249	0.119	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]O[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2	H(C[6]C[6]2H)	C[6](C[6]O[6]CC)(C[6]C[6]O)(H)2{2|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.2747	0.077	4	109.2145	0.013	6	109.0421	0.111	8	109.0249	0.119	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]O[6]CC)(C[6]N[6]C)(H)2	C[6](C[6]C[6]HH)(O[6]In[6])(CF3)2	H(C[6]C[6]2H)	C[6](C[6]O[6]CC)(C[6]N[6]C)(H)2{1|In<4>,1|C<4>}	C[6](C[6]C[6]HH)(O[6]In[6])(CF3)2{1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.5250	0.047	2	108.5250	0.002	2	109.0421	0.111	8	109.0249	0.119	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:S[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]S[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(CH3)2	H(C[6]C[6]2H)	C[6](C[6]S[6]CC)(C[6]C[6]O)(H)2{2|C<3>}	C[6](C[6]C[6]HH)(S[6]C[6])(CH3)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	108.8270	0.031	2	108.8270	0.001	2	108.8270	0.001	2	109.0249	0.119	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]O[6]CC)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CHHO)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CC)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(CHHO)2{1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	108.8988	0.083	4	108.8988	0.007	4	109.1172	0.244	5	109.0249	0.119	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:2:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]O[6]CC)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CCHH)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CC)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(CCHH)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]N[6]H)	109.9910	0.000	1	109.9910	0.000	1	109.1172	0.244	5	109.0249	0.119	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:B[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(B[6]N[6]N)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]H)(H)2	H(C[6]B[6]C[6]H)	C[6](C[6]C[6]HH)(B[6]N[6]N)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]B[6]HH)(C[6]C[6]H)(H)2{1|H<1>,2|N<3>}	H(C[6]B[6]C[6]H)	108.9860	3.705	4	108.9860	13.725	4	108.9860	13.725	4	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:C[6]-3:Cl-1:Cl-1:	C[6]-4:	C[6](C[6]C[6]Cl2)(C[6]C[6]Cl)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]O)(Cl)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6]Cl2)(C[6]C[6]Cl)(Cl)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]O)(Cl)2{2|Cl<1>,1|C<3>,1|C<4>}	H(C[6]C[6]2Cl)	108.4740	0.000	1	108.4740	0.000	1	108.4740	0.000	1	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]H)(F)(H)	C[6](C[6]C[6]FH)(N[6]C[6]S)(H)2	H(C[6]C[6]2F)	C[6](C[6]N[6]HH)(C[6]C[6]H)(F)(H){1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]FH)(N[6]C[6]S)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2F)	108.9260	0.000	1	108.9260	0.000	1	108.9260	0.000	1	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:B[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]B[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(B[6]N[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]B[6]HH)(C[6]C[6]H)(H)2{1|H<1>,2|N<3>}	C[6](C[6]C[6]HH)(B[6]N[6]N)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	109.0175	2.572	4	109.0175	6.617	4	109.0175	6.617	4	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.3125	0.433	2	108.3125	0.188	2	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3350	0.158	6	109.3350	0.025	6	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.6305	1.322	2	109.6305	1.747	2	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.1850	0.000	1	109.4600	0.368	15	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1525	0.056	4	109.4600	0.368	15	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.7455	0.950	2	109.4600	0.368	15	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.7870	0.008	2	109.4600	0.368	15	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.3080	0.970	2	109.4600	0.368	15	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.4690	0.007	2	109.4600	0.368	15	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	108.7430	0.025	2	109.4600	0.368	15	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.2545	3.581	2	109.4526	1.444	10	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	109.4645	0.008	2	109.4526	1.444	10	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.5147	0.119	6	109.4526	1.444	10	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{3|C<3>}	H(C[6]C[6]2H)	109.5425	0.028	2	109.4556	0.005	8	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.4575	0.009	2	109.4556	0.005	8	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.4650	0.025	2	109.4556	0.005	8	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.3575	0.008	2	109.4556	0.005	8	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|N<3>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	109.8120	0.013	2	109.8120	0.000	2	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)2{2|C<3>}	H(C[6]C[6]2H)	109.6285	0.204	4	109.6285	0.042	4	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5180	0.013	2	109.4533	0.229	10	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5670	1.394	2	109.4533	0.229	10	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3938	0.112	6	109.4533	0.229	10	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2H)	110.0803	2.773	4	110.1043	2.426	15	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.5599	1.083	7	110.1043	2.426	15	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3950	0.081	2	110.1043	2.426	15	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2675	0.013	2	110.1043	2.426	15	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2430	6.727	2	109.6282	9.141	6	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.8205	0.026	2	109.6282	9.141	6	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.8210	0.037	2	109.6282	9.141	6	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[6]C[6]2H)	110.1525	0.018	2	110.1525	0.000	2	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]2H)	109.8330	0.038	2	109.8330	0.001	2	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2780	0.049	6	109.2780	0.002	6	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.1845	0.060	2	109.4769	0.090	7	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.7950	0.000	1	109.4769	0.090	7	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.7920	0.024	2	109.4769	0.090	7	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	109.2950	0.014	2	109.4769	0.090	7	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	106.4273	13.938	2	107.1609	44.567	6	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	106.3395	4.615	2	107.1609	44.567	6	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.7160	0.007	2	107.1609	44.567	6	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2{1|Co<6>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	109.1080	0.034	2	109.2621	0.097	7	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2{1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|N<2>}	H(C[6]C[6]2H)	109.6270	0.000	1	109.2621	0.097	7	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2{1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[6]2H)	109.2480	0.365	4	109.2621	0.097	7	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|N<3>,2|O<1>}	H(C[6]C[6]2H)	109.1685	0.011	2	109.1685	0.000	2	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.1430	0.027	2	109.1430	0.001	2	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2{1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.1845	0.045	2	109.0515	0.080	8	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2{1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.8435	0.251	4	109.0515	0.080	8	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2{1|Co<6>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.3345	0.049	2	109.0515	0.080	8	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)2{2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[6]C[6]2H)	109.4160	0.185	4	109.4160	0.034	4	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[6]C[6]2H)	109.3185	0.026	2	109.3185	0.001	2	109.3835	2.919	128	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]2)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.3370	0.013	2	109.3370	0.000	2	109.3334	0.366	101	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6292	0.135	5	109.6292	0.018	5	109.3334	0.366	101	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6647	0.023	4	109.6647	0.001	4	109.3334	0.366	101	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2517	0.039	3	108.6252	0.737	5	109.3334	0.366	101	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.6855	0.047	2	108.6252	0.737	5	109.3334	0.366	101	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]Cl)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]Cl)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|Cl<1>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6770	0.054	2	109.6770	0.003	2	109.3334	0.366	101	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(N[6]B[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|B<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]B[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	108.9060	0.563	2	108.9060	0.317	2	109.3334	0.366	101	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3715	0.039	2	109.5415	0.040	4	109.3334	0.366	101	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.7115	0.049	2	109.5415	0.040	4	109.3334	0.366	101	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.1640	0.078	2	110.1640	0.006	2	109.3334	0.366	101	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.1690	0.000	1	109.2245	0.040	13	109.3334	0.366	101	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.8215	0.006	2	109.2245	0.040	13	109.3334	0.366	101	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|S<4>,2|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.3593	0.047	4	109.2245	0.040	13	109.3334	0.366	101	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|S<4>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3505	0.030	2	109.2245	0.040	13	109.3334	0.366	101	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|S<4>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3465	0.015	2	109.2245	0.040	13	109.3334	0.366	101	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|S<4>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1380	0.006	2	109.2245	0.040	13	109.3334	0.366	101	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.3102	0.127	4	109.5486	0.044	12	109.3334	0.366	101	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|N<3>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.7835	0.073	2	109.5486	0.044	12	109.3334	0.366	101	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.4995	0.015	2	109.5486	0.044	12	109.3334	0.366	101	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.6940	0.042	4	109.5486	0.044	12	109.3334	0.366	101	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<2>,2|C<3>}	H(C[6]C[6]2H)	109.3510	0.024	2	109.3510	0.001	2	109.3334	0.366	101	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|S<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,2|O<1>}	H(C[6]C[6]2H)	109.4770	0.000	1	109.2618	0.296	39	109.3334	0.366	101	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.2382	0.332	4	109.2618	0.296	39	109.3334	0.366	101	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.5535	0.039	4	109.2618	0.296	39	109.3334	0.366	101	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.2747	0.346	4	109.2618	0.296	39	109.3334	0.366	101	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.7080	0.048	2	109.2618	0.296	39	109.3334	0.366	101	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.2980	0.000	1	109.2618	0.296	39	109.3334	0.366	101	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.2187	0.386	21	109.2618	0.296	39	109.3334	0.366	101	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	110.5800	1.274	2	109.2618	0.296	39	109.3334	0.366	101	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]P)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]P)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|P<4>,2|H<1>}	H(C[6]C[6]2H)	109.6685	0.005	2	109.6685	0.000	2	109.3334	0.366	101	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<3>,1|O<1>,1|S<1>}	H(C[6]C[6]2H)	109.4176	0.119	5	109.4176	0.014	5	109.3334	0.366	101	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]O[6]O)(H)2{2|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|O<2>,2|O<1>}	H(C[6]C[6]2H)	108.7850	3.683	2	108.7850	13.562	2	109.3334	0.366	101	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(S[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]HH)(S[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	107.2950	0.062	2	107.2950	0.004	2	107.2950	0.004	2	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(F)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]FH)(N[6]C[6]S)(H)2{1|C<3>,3|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(F)(H){1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6]H)	109.8450	0.034	2	109.8450	0.001	2	109.8450	0.001	2	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]B[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]B[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|B<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	109.4615	0.176	2	109.4615	0.031	2	109.4056	0.168	107	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6]N[6]HH)(C[6]C[6]2)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.1760	0.027	2	109.1760	0.001	2	109.4056	0.168	107	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2317	0.097	7	109.2317	0.009	7	109.4056	0.168	107	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.4910	0.007	2	109.3505	0.026	4	109.4056	0.168	107	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	109.2100	0.011	2	109.3505	0.026	4	109.4056	0.168	107	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	109.2353	0.079	4	109.3731	0.022	11	109.4056	0.168	107	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|N<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.4135	0.011	2	109.3731	0.022	11	109.4056	0.168	107	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.6135	0.025	2	109.3731	0.022	11	109.4056	0.168	107	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3697	0.027	3	109.3731	0.022	11	109.4056	0.168	107	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.4700	0.038	2	109.3508	0.212	43	109.4056	0.168	107	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.6050	0.029	3	109.3508	0.212	43	109.4056	0.168	107	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,2|O<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|S<3>}	H(C[6]C[6]N[6]H)	109.5435	0.012	2	109.3508	0.212	43	109.4056	0.168	107	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6920	0.039	4	109.3508	0.212	43	109.4056	0.168	107	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	110.0345	0.033	4	109.3508	0.212	43	109.4056	0.168	107	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.0820	0.025	2	109.3508	0.212	43	109.4056	0.168	107	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2550	0.298	24	109.3508	0.212	43	109.4056	0.168	107	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.0260	0.570	2	109.3508	0.212	43	109.4056	0.168	107	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]P)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|P<4>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]P)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	109.7430	0.007	2	109.7430	0.000	2	109.4056	0.168	107	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]O[6]O)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|O<2>,2|O<1>}	C[6](C[6]N[6]HH)(C[6]O[6]O)(H)2{2|C<3>}	H(C[6]C[6]N[6]H)	109.9565	0.698	2	109.9565	0.487	2	109.4056	0.168	107	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.7233	0.049	4	108.7233	0.002	4	109.4056	0.168	107	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<2>,2|C<3>}	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.7690	0.024	2	109.7690	0.001	2	109.4056	0.168	107	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<3>,1|O<1>,1|S<1>}	C[6](C[6]N[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	109.9660	0.021	6	109.9660	0.000	6	109.4056	0.168	107	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6]H)	109.7860	0.007	2	109.7860	0.000	2	109.4056	0.168	107	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6]H)	109.4000	0.000	1	109.6856	0.028	5	109.4056	0.168	107	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[6]C[6]N[6]H)	109.7570	0.063	4	109.6856	0.028	5	109.4056	0.168	107	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]Cl)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|Cl<1>,1|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]Cl)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6]H)	109.7920	0.033	2	109.7920	0.001	2	109.4056	0.168	107	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|S<4>,2|C<4>}	H(C[6]C[6]N[6]H)	109.0965	0.019	2	109.2849	0.124	13	109.4056	0.168	107	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,3|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[6]C[6]N[6]H)	109.6905	0.076	2	109.2849	0.124	13	109.4056	0.168	107	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,3|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|S<4>,2|C<4>}	H(C[6]C[6]N[6]H)	109.8615	0.022	2	109.2849	0.124	13	109.4056	0.168	107	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|H<1>,2|C<3>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.0340	0.051	3	109.2849	0.124	13	109.4056	0.168	107	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[6]C[6]N[6]H)	108.9745	0.063	2	109.2849	0.124	13	109.4056	0.168	107	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|S<4>,2|C<4>}	H(C[6]C[6]N[6]H)	109.1780	0.031	2	109.2849	0.124	13	109.4056	0.168	107	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.5631	0.816	16	109.5631	0.665	16	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6315	0.193	4	109.7440	1.412	8	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{2|C<4>,2|H<1>,2|N<2>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8565	1.795	4	109.7440	1.412	8	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4730	0.032	3	109.4730	0.001	3	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,1|N<2>,1|N<3>,1|S<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5768	0.050	4	109.5768	0.002	4	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3738	0.205	4	108.9308	1.277	8	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{2|C<4>,2|H<1>,2|N<2>}	H(C[6]C[6]N[6]H)	108.4877	1.554	4	108.9308	1.277	8	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]N[6]H)	109.5380	0.193	4	109.5182	0.335	1691	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>}	H(C[6]C[6]N[6]H)	109.6730	0.011	2	109.5182	0.335	1691	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.3638	0.991	6	109.5182	0.335	1691	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.5890	0.018	2	109.5182	0.335	1691	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>}	H(C[6]C[6]N[6]H)	109.0970	0.023	2	109.5182	0.335	1691	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]N[6]H)	109.9855	0.035	2	109.5182	0.335	1691	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>}	H(C[6]C[6]N[6]H)	111.0083	3.749	4	109.5182	0.335	1691	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[6]C[6]N[6]H)	108.9170	0.065	2	109.5182	0.335	1691	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>}	H(C[6]C[6]N[6]H)	109.2826	0.784	84	109.5182	0.335	1691	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<3>}	H(C[6]C[6]N[6]H)	109.9550	0.118	4	109.5182	0.335	1691	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<3>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>}	H(C[6]C[6]N[6]H)	110.0027	0.117	4	109.5182	0.335	1691	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5367	0.371	178	109.5182	0.335	1691	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4464	0.383	336	109.5182	0.335	1691	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]N[6]H)	110.2938	1.288	6	109.5182	0.335	1691	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.6663	0.179	8	109.5182	0.335	1691	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|N<2>,2|C<4>}	H(C[6]C[6]N[6]H)	109.9540	0.000	1	109.5182	0.335	1691	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|N<2>,2|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.4860	0.004	2	109.5182	0.335	1691	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]N[6]H)	109.5255	0.037	2	109.5182	0.335	1691	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6946	0.317	343	109.5182	0.335	1691	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4693	0.674	699	109.5182	0.335	1691	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.3480	0.072	2	109.6187	0.534	29	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]N[6]H)	110.5065	1.455	2	109.6187	0.534	29	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.4505	0.046	2	109.6187	0.534	29	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|O<1>,2|C<4>}	H(C[6]C[6]N[6]H)	110.5935	2.372	2	109.6187	0.534	29	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6706	0.203	11	109.6187	0.534	29	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.5195	0.013	2	109.6187	0.534	29	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2161	0.503	8	109.6187	0.534	29	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4296	0.201	22	109.4204	0.035	26	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3697	0.085	4	109.4204	0.035	26	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|P<3>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7583	0.046	4	109.7583	0.002	4	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5216	0.108	7	109.4911	0.012	45	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.4790	0.044	2	109.4911	0.012	45	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.5825	0.049	2	109.4911	0.012	45	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4795	0.119	32	109.4911	0.012	45	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.4905	0.032	2	109.4911	0.012	45	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6385	0.026	4	109.6385	0.001	4	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]N[6]H)	110.4630	1.153	2	109.4729	0.498	30	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3186	0.573	12	109.4729	0.498	30	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.0025	0.036	2	109.4729	0.498	30	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]N[6]H)	110.1935	0.047	2	109.4729	0.498	30	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6730	0.011	2	109.4729	0.498	30	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|O<1>,2|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.6235	1.445	2	109.4729	0.498	30	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.0567	0.542	8	109.4729	0.498	30	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]N[6]H)	110.7007	1.646	4	109.7133	2.681	138	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6882	1.659	130	109.7133	2.681	138	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6070	0.141	2	109.7133	2.681	138	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4715	0.069	2	109.7133	2.681	138	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8490	0.000	1	109.8490	0.000	1	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5729	0.138	22	109.6382	0.042	26	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9977	0.106	4	109.6382	0.042	26	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.5645	0.050	2	109.5118	0.005	4	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4590	0.045	2	109.5118	0.005	4	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|P<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3773	0.086	4	109.3773	0.007	4	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2{1|C<4>,1|P<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7977	0.117	28	109.7977	0.014	28	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,1|N<2>,1|N<3>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9615	0.029	4	109.9615	0.001	4	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9270	0.070	8	109.8612	0.054	39	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2845	0.026	2	109.8612	0.054	39	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]N[6]H)	109.8500	0.007	2	109.8612	0.054	39	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|H<1>,3|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2435	0.021	2	109.8612	0.054	39	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9365	0.128	25	109.8612	0.054	39	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]N[6]H)	109.8510	0.000	1	109.8510	0.000	1	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.6590	0.034	2	109.8230	0.049	10	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9419	0.071	7	109.8230	0.049	10	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|S<4>,2|C<3>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6]H)	109.3190	0.000	1	109.8230	0.049	10	109.5433	0.478	2123	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(S[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	C[6](C[6]N[6]HH)(S[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.6365	0.021	2	108.6365	0.000	2	108.6365	0.000	2	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-3:H-1:H-1:	C[6]-4:O[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6]Li)(H)2	C[6](C[6]O[6]HH)(O[6]C[6]Li)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6]Li)(H)2{1|Li<4>,1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(O[6]C[6]Li)(H)2{1|Li<4>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.2095	0.170	4	109.2095	0.029	4	109.4722	0.059	11	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-3:H-1:H-1:	C[6]-4:O[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6]Mg)(H)2	C[6](C[6]O[6]HH)(O[6]C[6]Mg)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6]Mg)(H)2{1|Mg<4>,1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(O[6]C[6]Mg)(H)2{1|Mg<4>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.7303	0.061	3	109.6223	0.012	7	109.4722	0.059	11	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:O[6]-3:H-1:H-1:	C[6]-4:O[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6]Mg)(H)2	C[6](C[6]O[6]HH)(O[6]C[6]Mg)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6]Mg)(H)2{1|Mg<5>,1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(O[6]C[6]Mg)(H)2{1|Mg<5>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.5412	0.043	4	109.6223	0.012	7	109.4722	0.059	11	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6]O)(H)2	C[6](C[6]S[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]S[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]S[6]H)	109.4950	0.030	2	109.4950	0.001	2	109.4950	0.001	2	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(S[6]C[6]C)(H)2	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]N[6]HH)(S[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	H(C[6]C[6]S[6]H)	108.9455	0.009	2	108.9455	0.000	2	108.9455	0.000	2	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6]Cu)(H)2	C[6](C[6]S[6]HH)(S[6]C[6]Cu)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6]Cu)(H)2{1|Cu<5>,1|C<4>,2|H<1>}	C[6](C[6]S[6]HH)(S[6]C[6]Cu)(H)2{1|Cu<5>,1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	109.0250	0.308	4	109.0250	0.095	4	109.7686	3.045	61	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6]Ir)(H)2	C[6](C[6]S[6]HH)(S[6]C[6]Ir)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6]Ir)(H)2{1|C<4>,2|H<1>}	C[6](C[6]S[6]HH)(S[6]C[6]Ir)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	108.7862	0.073	8	108.7862	0.005	8	109.7686	3.045	61	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6]Mo)(H)2	C[6](C[6]S[6]HH)(S[6]C[6]Mo)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6]Mo)(H)2{1|Mo<9>,1|C<4>,2|H<1>}	C[6](C[6]S[6]HH)(S[6]C[6]Mo)(H)2{1|Mo<9>,1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	108.3129	0.220	7	108.3129	0.049	7	109.7686	3.045	61	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6]O)(H)2	C[6](C[6]S[6]HH)(S[6]C[6]O)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6]O)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]S[6]HH)(S[6]C[6]O)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]S[6]H)	110.6508	2.010	32	110.6508	4.041	32	109.7686	3.045	61	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6]Pt)(H)2	C[6](C[6]S[6]HH)(S[6]C[6]Pt)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6]Pt)(H)2{1|C<4>,2|H<1>}	C[6](C[6]S[6]HH)(S[6]C[6]Pt)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	109.2210	0.182	3	109.2210	0.033	3	109.7686	3.045	61	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:1:1:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6]Ru)(H)2	C[6](C[6]S[6]HH)(S[6]C[6]Ru)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6]Ru)(H)2{1|C<4>,2|H<1>}	C[6](C[6]S[6]HH)(S[6]C[6]Ru)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	108.9740	0.545	7	108.9740	0.297	7	109.7686	3.045	61	109.5212	0.672	2551	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|N<3>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	108.6660	0.052	2	108.6660	0.003	2	108.6660	0.003	2	109.0169	0.122	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-2:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	108.9913	0.041	4	108.9913	0.002	4	108.9913	0.002	4	109.0169	0.122	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:2:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]N[6]HO)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(OH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HO)(N[6]C[6]C)(H)2{1|C<4>,2|C<3>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(OH)(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.4190	0.525	2	109.4190	0.275	2	109.4190	0.275	2	109.0169	0.122	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:Cl-1:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCH)(Cl)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClC)(C[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCH)(Cl){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.4330	0.000	1	109.4330	0.000	1	109.4330	0.000	1	109.6374	0.753	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCC)(H){1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.7050	0.053	3	109.7050	0.003	3	109.2349	0.200	7	109.6374	0.753	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCO)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	108.8822	0.106	4	108.8822	0.011	4	109.2349	0.200	7	109.6374	0.753	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]O)(H)2{1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H){1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	110.0280	0.033	2	110.0280	0.001	2	110.0280	0.001	2	109.6374	0.753	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(N[6]C[6]S)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(N[6]C[6]S)(H){1|C<2>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	111.8860	2.659	2	111.8860	7.069	2	111.8860	7.069	2	109.6374	0.753	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCC)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	108.9820	0.000	1	108.9820	0.000	1	109.6021	0.219	9	109.6374	0.753	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.0220	0.023	2	109.0220	0.001	2	109.6021	0.219	9	109.6374	0.753	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.8070	0.021	2	109.7843	0.001	4	109.6021	0.219	9	109.6374	0.753	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[6]C[6]2H)	109.7615	0.012	2	109.7843	0.001	4	109.6021	0.219	9	109.6374	0.753	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]W)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|W<6>}	C[6](C[6]C[6]HH)(N[6]C[6]W)(COO)(H){1|N<3>,2|O<1>}	H(C[6]C[6]2H)	110.1280	0.068	2	110.1280	0.005	2	109.6021	0.219	9	109.6374	0.753	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(COO)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(COO)(H){1|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7605	0.013	2	109.7605	0.000	2	109.7605	0.000	2	109.6374	0.753	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:3:1:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(S[6]C[6]O)(H)2	C[6](C[6]S[6]HH)(C[6]N[6]O)(NCH)(H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HN)(S[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]S[6]HH)(C[6]N[6]O)(NCH)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]S[6]H)	109.7878	0.138	4	109.7878	0.019	4	109.7878	0.019	4	109.6374	0.753	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:3:1:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(S[6]C[6]O)(H)2	C[6](C[6]S[6]HH)(N[6]C[6]H)(COO)(H)	H(C[6]C[6]S[6]H)	C[6](C[6]N[6]CH)(S[6]C[6]O)(H)2{1|C<4>,3|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]H)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]S[6]H)	109.1732	0.446	6	109.1732	0.199	6	109.1732	0.199	6	109.6374	0.753	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:C-3:	C[6]-4:	C[6](C[6]N[6]CC)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)2	H(C[6]C[6]2H)	C[6](C[6]N[6]CC)(C[6]C[6]N)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)2{1|N<2>,2|C<3>}	H(C[6]C[6]2H)	109.9545	0.064	2	109.9545	0.004	2	109.9545	0.004	2	109.9545	0.004	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6a]2)(N[6]C[6]C)(H)2	C[6](C[6,6]N[6,6]N[6]H)(C[6a]C[6a]2)2(C[6]N[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]C[6a]2)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[6](C[6,6]N[6,6]N[6]H)(C[6a]C[6a]2)2(C[6]N[6]HH){2|C<4>,4|H<1>,7|C<3>}	H(C[6]C[6]N[6]H)	109.0565	0.050	2	109.0565	0.003	2	109.0565	0.003	2	109.0565	0.003	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]O)(F)(H)	C[6](C[6]C[6]FH)(N[6]C[6]C)(CC[6a]2O)(H)	H(C[6]C[6]2F)	C[6](C[6]N[6]CH)(C[6]N[6]O)(F)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]FH)(N[6]C[6]C)(CC[6a]2O)(H){1|N<3>,2|O<1>}	H(C[6]C[6]2F)	107.2050	0.000	1	107.2050	0.000	1	107.2050	0.000	1	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[4,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[4,6]C[6a]H)(C[6]N[5,6]C)(H)2	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]C[6a]H)(C[6]N[5,6]C)(H)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,6|C<3>}	H(C[6]C[6]2H)	110.3135	2.623	2	110.3135	6.878	2	110.3135	6.878	2	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3370	0.030	2	109.3370	0.001	2	109.0525	0.108	4	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.7680	0.018	2	108.7680	0.000	2	109.0525	0.108	4	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6,6a]O)(H)2	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6,6a]O)(H)2{6|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,2|O<1>,6|C<3>}	H(C[6]C[6]2H)	108.9456	0.168	8	108.9611	0.023	10	108.8792	0.233	83	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6,6a]O)(H)2	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6,6a]O)(H)2{6|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,2|O<1>,7|C<3>}	H(C[6]C[6]2H)	109.0230	0.011	2	108.9611	0.023	10	108.8792	0.233	83	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	H(C[6]C[6]2H)	108.3735	0.006	2	108.3735	0.000	2	108.8792	0.233	83	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2{1|C<2>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.2655	0.032	2	109.2655	0.001	2	108.8792	0.233	83	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2{1|C<4>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|H<1>,6|C<3>}	H(C[6]C[6]2H)	108.7936	0.143	8	108.7936	0.020	8	108.8792	0.233	83	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2{1|C<4>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1309	0.332	11	109.1309	0.110	11	108.8792	0.233	83	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3640	0.034	2	109.3640	0.001	2	108.8792	0.233	83	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.4610	0.017	2	109.1890	0.707	4	108.8792	0.233	83	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	H(C[6]C[6]2H)	109.9170	0.023	2	109.1890	0.707	4	108.8792	0.233	83	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]N[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<2>,4|C<3>}	C[6](C[5,6]C[5,6]N[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.2695	0.006	2	109.2695	0.000	2	108.8792	0.233	83	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.4775	0.019	2	108.4775	0.000	2	108.8792	0.233	83	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]S[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]S[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.1530	0.014	2	109.1530	0.000	2	108.8792	0.233	83	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.4843	0.392	3	109.4843	0.154	3	108.8792	0.233	83	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|O<1>,3|H<1>,5|C<3>}	H(C[6]C[6]2H)	108.6175	0.534	4	108.6282	0.186	12	108.8792	0.233	83	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,2|O<1>,5|C<3>}	H(C[6]C[6]2H)	108.7385	0.287	4	108.6282	0.186	12	108.8792	0.233	83	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>,6|C<3>}	H(C[6]C[6]2H)	108.0690	0.075	2	108.6282	0.186	12	108.8792	0.233	83	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,5|C<3>}	H(C[6]C[6]2H)	108.9885	0.013	2	108.6282	0.186	12	108.8792	0.233	83	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|N<2>,1|N<3>,2|C<4>,2|H<1>,2|O<1>,3|C<3>}	H(C[6]C[6]2H)	108.5460	0.007	2	108.7543	0.198	10	108.8792	0.233	83	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,2|C<4>,2|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.1655	0.018	2	108.7543	0.198	10	108.8792	0.233	83	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|O<1>,3|H<1>,6|C<3>}	H(C[6]C[6]2H)	108.2440	0.004	2	108.7543	0.198	10	108.8792	0.233	83	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,3|O<1>,5|C<3>}	H(C[6]C[6]2H)	108.4775	0.013	2	108.7543	0.198	10	108.8792	0.233	83	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,3|O<1>,6|C<3>}	H(C[6]C[6]2H)	109.3385	0.019	2	108.7543	0.198	10	108.8792	0.233	83	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.8030	0.010	2	109.0074	0.422	7	108.8792	0.233	83	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.4340	0.000	1	109.0074	0.422	7	108.8792	0.233	83	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,3|O<1>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.5030	0.149	4	109.0074	0.422	7	108.8792	0.233	83	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])(H)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])(H)2{1|C<4>,7|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|O<1>,4|H<1>,6|C<3>}	H(C[6]C[6]2H)	108.8055	0.021	2	108.8055	0.000	2	108.8792	0.233	83	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]O)(H)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]O)(H)2{1|C<4>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,2|N<3>,2|O<1>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	107.9810	0.004	2	107.9810	0.000	2	108.8792	0.233	83	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(H)2{1|C<4>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<2>,1|N<3>,1|O<2>,2|O<1>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	107.9270	0.033	2	107.9270	0.001	2	108.8792	0.233	83	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:N[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]N[5a]H)(C[6]C[5,6]O)(H)2	C[6](C[5,6]O[5,6]C[5]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]N[5a]H)(C[6]C[5,6]O)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]C[5]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.1930	0.024	2	109.1930	0.001	2	109.1930	0.001	2	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[5,6]C)(H)2	C[6](C[6,6]C[5,6]C[6]2)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[5,6]C)(H)2{1|C<4>,1|O<2>,4|C<3>}	C[6](C[6,6]C[5,6]C[6]2)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,2|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.1670	0.000	1	108.1670	0.000	1	109.1023	0.359	29	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.5540	0.000	1	108.5540	0.000	1	109.1023	0.359	29	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|O<1>,2|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.0750	0.017	2	109.0750	0.000	2	109.1023	0.359	29	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<4>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.0800	0.822	2	110.0800	0.675	2	109.1023	0.359	29	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5940	0.066	3	109.5940	0.004	3	109.1023	0.359	29	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]N)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]N)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.3390	0.010	2	108.9330	0.471	4	109.1023	0.359	29	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]N)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]N)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.5270	0.013	2	108.9330	0.471	4	109.1023	0.359	29	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>,3|O<1>,4|C<3>}	H(C[6]C[6]2H)	109.0850	0.351	4	108.9667	0.052	11	109.1023	0.359	29	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|N<3>,3|C<3>,3|H<1>,3|O<1>}	H(C[6]C[6]2H)	108.8991	0.102	7	108.9667	0.052	11	109.1023	0.359	29	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(H)2	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(H)2{1|C<4>,5|C<3>}	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|S<1>,2|O<1>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.2195	0.037	2	108.2195	0.001	2	109.1023	0.359	29	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]C)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<2>,5|C<3>}	H(C[6]C[6]2H)	110.2630	0.000	1	109.7827	0.173	3	109.1023	0.359	29	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]C)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.5425	0.016	2	109.7827	0.173	3	109.1023	0.359	29	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:N[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]N[5a]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]N[5a]H)(C[6]C[6,6]O)(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H){1|O<1>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	107.8925	0.015	2	107.8925	0.000	2	107.8925	0.000	2	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	109.3985	0.011	2	109.3985	0.000	2	109.0307	2.911	21	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H){4|C<3>}	H(C[6]C[6]2H)	108.5100	0.157	4	108.5100	0.025	4	109.0307	2.911	21	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HN)(H){1|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3238	0.063	4	109.3238	0.004	4	109.0307	2.911	21	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHP)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHP)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3370	0.000	1	109.3370	0.000	1	109.0307	2.911	21	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]CH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]CH)(H){1|C<3>,1|H<1>}	H(C[6]C[6]2H)	109.7215	2.454	2	109.7215	6.024	2	109.0307	2.911	21	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2H)	109.9220	6.665	2	109.9220	44.425	2	109.0307	2.911	21	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H){1|C<4>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	107.7660	0.006	2	107.7660	0.000	2	109.0307	2.911	21	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|I<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	108.8025	0.026	2	108.8025	0.001	2	109.0307	2.911	21	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]O[6]C)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|O<2>,2|C<3>}	H(C[6]C[6]2H)	108.8755	0.029	2	108.8755	0.001	2	109.0307	2.911	21	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(PC[6]ReC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(PC[6]ReC)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3010	0.000	1	109.3010	0.000	1	109.3010	0.000	1	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]C)(H)2{1|Se<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.1880	0.069	2	109.1880	0.005	2	109.0518	0.431	38	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(H)2	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.4650	0.011	2	108.4650	0.000	2	109.0518	0.431	38	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.9650	0.000	1	108.9650	0.000	1	109.0518	0.431	38	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H)2	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.9175	0.028	2	108.9175	0.001	2	109.0518	0.431	38	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.0408	0.268	4	109.1235	0.060	6	109.0518	0.431	38	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.2890	0.037	2	109.1235	0.060	6	109.0518	0.431	38	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.4160	0.036	4	108.4160	0.001	4	109.0518	0.431	38	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(H)2	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(H)2{1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.8260	0.033	2	108.8260	0.001	2	109.0518	0.431	38	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(H)2	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.7040	0.020	2	108.7040	0.000	2	109.0518	0.431	38	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|H<1>,7|C<3>}	H(C[6]C[6]2H)	108.9644	0.195	5	108.9644	0.038	5	109.0518	0.431	38	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]CN)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<2>,4|C<3>}	C[6](C[6]C[5,6]CN)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,2|S<2>,3|C<3>}	H(C[6]C[6]2H)	108.6750	0.000	1	108.6750	0.000	1	109.0518	0.431	38	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,5|C<3>}	H(C[6]C[6]2H)	111.0290	0.008	2	111.0290	0.000	2	109.0518	0.431	38	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.7825	0.277	4	108.7825	0.077	4	109.0518	0.431	38	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(H)2	C[6](C[6]N[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	110.4825	0.008	2	110.4825	0.000	2	109.0518	0.431	38	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[5a,6]O)(H)2	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5a,6]O)(H)2{1|H<1>,5|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.9160	0.146	3	108.9160	0.021	3	109.0518	0.431	38	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1605	0.037	2	109.1605	0.001	2	109.3097	0.842	50	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.2845	0.015	2	109.4067	0.045	3	109.3097	0.842	50	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6510	0.000	1	109.4067	0.045	3	109.3097	0.842	50	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCFH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCFH)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.7980	0.395	2	109.7980	0.156	2	109.3097	0.842	50	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.1103	0.520	4	109.2164	0.120	12	109.3097	0.842	50	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.1340	0.301	4	109.2164	0.120	12	109.3097	0.842	50	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|I<1>,2|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.4050	0.097	4	109.2164	0.120	12	109.3097	0.842	50	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHO)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHO)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.0035	1.358	2	109.0035	1.845	2	109.3097	0.842	50	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|Si<4>,2|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6]HH)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	108.3240	0.004	2	108.3240	0.000	2	109.3097	0.842	50	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|Br<1>,2|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.1225	0.023	2	109.1960	0.014	8	109.3097	0.842	50	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.2410	0.006	2	109.1960	0.014	8	109.3097	0.842	50	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|I<1>,2|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.2103	0.167	4	109.1960	0.014	8	109.3097	0.842	50	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|S<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,2|O<1>}	H(C[6]C[6]2H)	109.2770	0.000	1	109.8700	3.014	3	109.3097	0.842	50	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	110.1665	2.345	2	109.8700	3.014	3	109.3097	0.842	50	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H){1|C<4>,2|O<1>}	H(C[6]C[6]2H)	109.0397	0.399	4	109.0397	0.159	4	109.3097	0.842	50	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.3625	0.019	2	109.3625	0.000	2	109.3097	0.842	50	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]2O)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]2O)(H){1|N<3>,2|O<1>}	H(C[6]C[6]2H)	108.6720	0.013	2	108.6720	0.000	2	109.3097	0.842	50	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|N<3>,1|O<1>,1|S<1>}	H(C[6]C[6]2H)	109.7982	0.186	4	109.7982	0.035	4	109.3097	0.842	50	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]O[6]O)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H){1|O<2>,2|O<1>}	H(C[6]C[6]2H)	109.8740	2.827	4	109.8740	7.992	4	109.3097	0.842	50	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:P-4:H-1:	C[6]-4:	C[6](C[6]N[6]HP)(C[6]N[6]N)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(PO3)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HP)(C[6]N[6]N)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(PO3)(H){1|N<2>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.2315	0.021	2	109.2315	0.000	2	109.2315	0.000	2	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	P[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2	C[6](P[6]C[6]2Pt)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2{1|Pt<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](P[6]C[6]2Pt)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3905	0.329	4	109.3905	0.108	4	109.2554	0.182	12	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	P[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2	C[6](P[6]C[6a]C[6]Pt)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2{1|Pt<4>,1|C<4>,2|H<1>,3|C<3>}	C[6](P[6]C[6a]C[6]Pt)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.1879	0.473	8	109.1879	0.224	8	109.2554	0.182	12	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	S[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(H)2	C[6](S[6]C[6,6a]OO)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(H)2{2|O<1>,4|C<3>}	C[6](S[6]C[6,6a]OO)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.8367	0.151	4	108.8367	0.023	4	108.8367	0.023	4	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]C[5a]H)(N[6]C[6]S)(H)2	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[5a]C[5a]2)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,5,6]C[5a]H)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[5a]C[5a]2)(C[6]N[6]HH)(H){1|C<4>,1|N<3>,1|S<2>,1|S<4>,4|H<1>,5|C<3>}	H(C[6]C[6]N[6]H)	110.4540	0.000	1	110.4540	0.000	1	110.4540	0.000	1	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]C[6a]H)(N[6]C[6]S)(H)2	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,5,6]C[6a]H)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|N<3>,1|S<4>,4|H<1>,6|C<3>}	H(C[6]C[6]N[6]H)	109.8490	0.151	4	109.8490	0.023	4	109.8490	0.023	4	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6]H)(N[6]N[5a,6]C)(H)2	C[6](C[5,6]N[5,6]C[5]C[6])(C[6]C[5a,6]H)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]C[6]H)(N[6]N[5a,6]C)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[5,6]N[5,6]C[5]C[6])(C[6]C[5a,6]H)(C[6]N[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>,3|N<3>}	H(C[6]C[6]N[6]H)	111.3080	0.414	2	111.3080	0.172	2	111.3080	0.172	2	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6]S)(H)2	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|S<4>,5|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.5410	0.320	4	109.5410	0.102	4	109.5410	0.102	4	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]N)(CC[6a]HS)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]N)(CC[6a]HS)(H){1|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.7220	0.000	1	109.7220	0.000	1	109.2318	0.155	14	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]HH)(H){1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.4520	0.114	4	109.4520	0.013	4	109.2318	0.155	14	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|S<4>}	H(C[6]C[6]N[6]H)	108.9271	0.070	7	108.9271	0.005	7	109.2318	0.155	14	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)(H){1|S<4>,2|C<4>}	H(C[6]C[6]N[6]H)	110.1470	0.000	1	109.6125	0.571	2	109.2318	0.155	14	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|S<4>}	H(C[6]C[6]N[6]H)	109.0780	0.000	1	109.6125	0.571	2	109.2318	0.155	14	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	108.9525	0.036	2	109.4345	0.232	6	109.4094	0.940	17	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6755	0.393	4	109.4345	0.232	6	109.4094	0.940	17	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6240	0.023	2	109.6240	0.001	2	109.4094	0.940	17	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(H)2	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(H)2{2|C<2>,4|C<3>}	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.4733	0.065	3	109.4733	0.004	3	109.4094	0.940	17	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(H)2	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(H)2{1|C<2>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.7650	0.004	2	109.7650	0.000	2	109.4094	0.940	17	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,4|H<1>,5|C<3>}	H(C[6]C[6]N[6]H)	109.2800	3.094	2	109.2800	9.575	2	109.4094	0.940	17	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6]N[6]H)	108.7970	1.773	2	108.7970	3.145	2	109.4094	0.940	17	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6]HH)(H){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.9800	0.031	2	108.9800	0.001	2	109.4566	0.113	49	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]N[6]H)	109.4510	0.016	2	109.5039	0.205	10	109.4566	0.113	49	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|S<1>}	H(C[6]C[6]N[6]H)	109.7928	0.056	6	109.5039	0.205	10	109.4566	0.113	49	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.6900	0.006	2	109.5039	0.205	10	109.4566	0.113	49	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]N[6]H)	109.5770	0.027	2	109.4388	0.109	9	109.4566	0.113	49	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|S<1>}	H(C[6]C[6]N[6]H)	109.7915	0.018	2	109.4388	0.109	9	109.4566	0.113	49	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6150	0.000	1	109.4388	0.109	9	109.4566	0.113	49	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.3840	0.028	2	109.4388	0.109	9	109.4566	0.113	49	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.9145	0.015	2	109.4388	0.109	9	109.4566	0.113	49	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(CC[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(CC[6]HH)(H){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2610	0.008	2	109.2610	0.000	2	109.4566	0.113	49	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]S)(CCCH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(CCCH)(H){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4835	0.005	2	109.4835	0.000	2	109.4566	0.113	49	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]S)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5340	0.010	2	109.5340	0.000	2	109.4566	0.113	49	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.0720	0.033	2	109.0720	0.001	2	109.4566	0.113	49	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6395	0.042	2	109.6395	0.002	2	109.4566	0.113	49	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]N[6]H)	109.6710	0.016	2	109.5045	0.039	4	109.4566	0.113	49	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H){1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3380	0.066	2	109.5045	0.039	4	109.4566	0.113	49	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]S)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(CH3)(H){1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6730	0.013	2	109.6730	0.000	2	109.4566	0.113	49	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]O[6]C)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]N[6]HH)(N[6]O[6]C)(CH3)(H){1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	109.0240	0.004	2	109.0240	0.000	2	109.4566	0.113	49	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]N)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]N)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]N)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]N)(CH3)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4530	0.000	1	109.4530	0.000	1	109.4566	0.113	49	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9760	0.027	2	109.9760	0.001	2	109.4566	0.113	49	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]N[6]H)	109.3910	0.385	4	109.3910	0.148	4	109.4566	0.113	49	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(CCHH)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7250	0.000	1	109.7250	0.000	1	109.4566	0.113	49	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]S)(CClHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(CClHH)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6695	0.022	2	109.6695	0.000	2	109.4566	0.113	49	109.1685	0.629	342	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:2:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:N[6]-3:C-4:O-2:	C[6]-4:	C[6](C[6]N[6]CO)(C[6]N[6]O)(F)(H)	C[6](C[6]C[6]FH)(N[6]C[6]C)(CH3)(OC)	H(C[6]C[6]2F)	C[6](C[6]N[6]CO)(C[6]N[6]O)(F)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]FH)(N[6]C[6]C)(CH3)(OC){1|N<3>,2|O<1>}	H(C[6]C[6]2F)	108.9480	0.000	1	108.9480	0.000	1	108.9480	0.000	1	108.6468	0.204	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(OH){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.9885	0.057	2	108.9885	0.003	2	108.9885	0.003	2	108.6468	0.204	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]N[6,6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]N[6,6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(OH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.1545	0.047	2	108.1545	0.002	2	108.1545	0.002	2	108.6468	0.204	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C[6a]C)(C[6]C[6]C)(H)2	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6a]C[6a]2)(C[6]C[6]HH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]C)(C[6]C[6]C)(H)2{1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6a]C[6a]2)(C[6]C[6]HH)(COO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	H(C[6]C[6]2H)	108.2075	0.186	2	108.2075	0.035	2	108.2075	0.035	2	108.7508	2.783	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)2	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)2{1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(COO){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6]2H)	108.9070	4.906	2	108.9070	24.068	2	108.9070	24.068	2	108.7508	2.783	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-3:	C[6]-4:	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(COO)	H(C[6]C[6]2H)	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(COO){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	108.6180	0.011	2	108.6180	0.000	2	108.6180	0.000	2	108.7508	2.783	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]N)(CH3)(CNO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]N)(CH3)(CNO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.0180	0.008	2	109.0180	0.000	2	109.0180	0.000	2	108.7508	2.783	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]N)(CH3)(NCC)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CN)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]N)(CH3)(NCC){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.0035	0.042	2	109.0035	0.002	2	109.0035	0.002	2	108.7508	2.783	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-3:Br-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]N[6]CC)(C[6]C[6]O)(Br)(H)	C[6](C[6]C[6]BrH)(N[6]C[6]H)(CH3)2	H(C[6]C[6]2Br)	C[6](C[6]N[6]CC)(C[6]C[6]O)(Br)(H){1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(N[6]C[6]H)(CH3)2{1|O<1>,3|C<4>}	H(C[6]C[6]2Br)	107.2670	0.250	2	107.2670	0.063	2	107.3597	0.057	3	108.9788	0.687	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-3:Br-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]N[6]CC)(C[6]C[6]O)(Br)(H)	C[6](C[6]C[6]BrH)(N[6]C[6]O)(CH3)2	H(C[6]C[6]2Br)	C[6](C[6]N[6]CC)(C[6]C[6]O)(Br)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]BrH)(N[6]C[6]O)(CH3)2{1|O<1>,3|C<4>}	H(C[6]C[6]2Br)	107.5450	0.000	1	107.5450	0.000	1	107.3597	0.057	3	108.9788	0.687	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.0965	0.059	4	109.0965	0.003	4	109.1335	0.170	16	108.9788	0.687	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2{1|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1710	0.020	2	109.1710	0.000	2	109.1335	0.170	16	108.9788	0.687	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]HH)(CCHH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]HH)(CCHH){1|C<3>,1|H<1>}	H(C[6]C[6]2H)	108.9680	0.013	2	108.9680	0.000	2	109.1335	0.170	16	108.9788	0.687	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.4925	0.011	2	109.4925	0.000	2	109.1335	0.170	16	108.9788	0.687	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)2{1|C<2>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.3655	0.039	2	108.3655	0.002	2	109.1335	0.170	16	108.9788	0.687	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.8480	0.011	2	109.8480	0.000	2	109.1335	0.170	16	108.9788	0.687	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]O[6]O)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2{1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.0300	0.031	2	109.0300	0.001	2	109.1335	0.170	16	108.9788	0.687	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]N[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]N[6]CC)(C[6]C[6]C)(H)2{1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.4985	0.095	2	109.4985	0.009	2	109.0788	0.618	27	108.9788	0.687	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]N[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]N[6]CC)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|C<2>,1|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.0940	0.024	2	109.0940	0.001	2	109.0788	0.618	27	108.9788	0.687	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	108.9862	0.083	4	109.3285	0.094	11	109.0788	0.618	27	108.9788	0.687	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.5240	0.173	7	109.3285	0.094	11	109.0788	0.618	27	108.9788	0.687	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.8856	1.310	8	108.7775	1.182	12	109.0788	0.618	27	108.9788	0.687	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.5613	0.488	4	108.7775	1.182	12	109.0788	0.618	27	108.9788	0.687	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(CHHI)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2{1|C<3>,3|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(CHHI)(CH3){1|C<3>,1|C<4>,1|S<4>}	H(C[6]C[6]N[6]H)	110.0415	0.036	2	110.0415	0.001	2	110.0415	0.001	2	108.9788	0.687	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]N[6]CC)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(CHHN)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CC)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(CHHN)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	107.7565	1.071	2	107.7565	1.148	2	107.7565	1.148	2	108.9788	0.687	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:B[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(B[6]N[6]N)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2	H(C[6]B[6]C[6]H)	C[6](C[6]C[6]HH)(B[6]N[6]N)(H)2{2|C<4>,2|H<1>}	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]B[6]C[6]H)	109.3430	1.435	2	109.3430	2.060	2	109.3430	2.060	2	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:Br-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(Br)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]BrH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(Br)(H){1|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]BrH)(H)2{2|Br<1>,1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[6]2Br)	108.5510	0.000	1	108.5530	0.000	2	108.5530	0.000	2	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:Br-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(Br)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]BrH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(Br)(H){1|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]BrH)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[6]2Br)	108.5550	0.000	1	108.5530	0.000	2	108.5530	0.000	2	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:Br-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]Br)(Br)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]BrH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]Br)(Br)(H){2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]BrH)(H)2{1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2Br)	108.5355	0.073	2	108.5355	0.005	2	108.2617	0.228	3	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:Br-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(Br)(H)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]BrH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(Br)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]BrH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2Br)	107.7140	0.000	1	107.7140	0.000	1	108.2617	0.228	3	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:Br-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(Br)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(Br)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(H)2{1|C<3>,1|O<1>,2|H<1>,5|C<4>}	H(C[6]C[6]2Br)	107.8310	0.915	2	107.8310	0.837	2	107.8310	0.837	2	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:Br-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]H)(Br)(H)	C[6](C[6]C[5,6]BrH)(C[6]C[6]BrH)(Br)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(Br)(H){1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]BrH)(C[6]C[6]BrH)(Br)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(C[6]C[6]2Br)	108.7515	0.148	2	108.7515	0.022	2	108.9003	0.077	3	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:Br-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]H)(Br)(H)	C[6](C[6]C[6]BrH)2(Br)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(Br)(H){1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)2(Br)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2Br)	109.1980	0.000	1	109.1980	0.000	1	108.9003	0.077	3	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:Cl-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(Cl)(H)	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]ClH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]ClH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2Cl)	108.5170	0.046	3	108.5170	0.002	3	108.5170	0.002	3	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(Cl)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(Cl)(H){5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]ClH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2Cl)	105.6840	0.000	1	105.6840	0.000	1	105.6840	0.000	1	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[5,6]C)(Cl)(H)	C[6](C[6]N[5,6]ClH)(C[6]C[6]ClH)(Cl)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6]ClH)(C[6]C[5,6]C)(Cl)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[5,6]ClH)(C[6]C[6]ClH)(Cl)(H){3|C<3>}	H(C[6]C[6]2Cl)	107.2650	0.000	1	107.2650	0.000	1	108.1885	1.706	2	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]H)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(Cl)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6]ClH)(C[6]C[6]H)(Cl)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(Cl)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2Cl)	109.1120	0.000	1	109.1120	0.000	1	108.1885	1.706	2	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6]HH)(C[6]C[6]O)(Cl)(H){1|Cl<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2Cl)	109.1170	0.000	1	109.1170	0.000	1	109.1170	0.000	1	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]F)(F)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]FH)(H)2	H(C[6]C[6]2F)	C[6](C[6]C[5,6]HH)(C[6]C[6]F)(F)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]FH)(H)2{1|H<1>,2|F<1>,3|C<3>}	H(C[6]C[6]2F)	109.9845	2.187	2	109.9845	4.783	2	109.9845	4.783	2	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2F)	C[6](C[6]C[6]HH)(C[6]N[6]O)(F)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2F)	109.1880	0.000	1	109.1880	0.000	1	109.1880	0.000	1	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,5,6]HH)(C[6]C[6]H)(H)2	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,5,6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4550	0.018	2	109.3210	0.014	6	109.3210	0.014	6	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,5,6]HH)(C[6]C[6]H)(H)2	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,5,6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2540	0.071	4	109.3210	0.014	6	109.3210	0.014	6	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]O)(H)2	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7707	0.168	4	109.3395	0.176	12	109.3395	0.176	12	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]O)(H)2	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.1239	0.325	8	109.3395	0.176	12	109.3395	0.176	12	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{2|Br<1>,1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.8053	0.187	4	108.8271	0.831	8	108.7115	0.969	11	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.8490	1.379	4	108.8271	0.831	8	108.7115	0.969	11	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H)2	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H)2{4|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.9260	0.000	1	109.9260	0.000	1	108.7115	0.969	11	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H)2	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	107.6415	0.023	2	107.6415	0.001	2	108.7115	0.969	11	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[5,6]O)(H)2	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[5,6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.2910	2.432	6	109.2910	5.916	6	108.9690	1.028	54	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[5,6]O)(H)2	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[5,6]O)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.9350	0.024	2	109.6865	0.264	12	108.9690	1.028	54	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[5,6]O)(H)2	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[5,6]O)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<4>,1|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.8368	0.415	10	109.6865	0.264	12	108.9690	1.028	54	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]O)(H)2	C[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	H(C[6]C[6]2H)	107.8945	0.005	2	107.8945	0.000	2	108.9690	1.028	54	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]O)(H)2	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0040	0.021	2	109.0040	0.000	2	108.9690	1.028	54	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]C)(H)2	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,3|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.2623	0.025	3	109.2623	0.001	3	108.9690	1.028	54	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(H)2	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	107.6325	1.333	2	107.6325	1.777	2	108.9690	1.028	54	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(H)2	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5640	0.016	2	109.5640	0.000	2	108.9690	1.028	54	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(H)2	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.3220	0.170	2	108.3220	0.029	2	108.9690	1.028	54	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(H)2	C[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.4370	0.000	1	108.4370	0.000	1	108.9690	1.028	54	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(H)2	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3030	0.104	4	109.3030	0.011	4	108.9690	1.028	54	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]N[5,6]O)(H)2	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]N[5,6]O)(H)2{1|H<1>,3|C<4>}	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<4>}	H(C[6]C[6]2H)	108.9318	0.281	6	108.9318	0.079	6	108.9690	1.028	54	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]N[6,6]O)(H)2	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]N[6,6]O)(H)2{1|H<1>,3|C<4>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<4>}	H(C[6]C[6]2H)	108.4853	0.013	4	108.4853	0.000	4	108.9690	1.028	54	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]N[6]O)(H)2	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]N[6]O)(H)2{1|H<1>,3|C<4>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<4>}	H(C[6]C[6]2H)	108.5520	0.023	2	108.3243	0.069	4	108.9690	1.028	54	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]N[6]O)(H)2	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<4>}	H(C[6]C[6]2H)	108.0965	0.011	2	108.3243	0.069	4	108.9690	1.028	54	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]N[6]O)(H)2	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]N[6]O)(H)2{1|H<1>,3|C<4>}	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.3113	0.072	4	108.3113	0.005	4	108.9690	1.028	54	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[4,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,3x6]HH)(C[6]C[6]O)(H)2	C[6](C[4,3x6]C[4,6,6]C[3x6]C[4,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,3x6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[4,3x6]C[4,6,6]C[3x6]C[4,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7273	0.082	3	108.7273	0.007	3	108.7273	0.007	3	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[4,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,5,6]HH)(C[6]C[6]H)(H)2	C[6](C[4,5,6]C[4,5,6]C[4,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,5,6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[4,5,6]C[4,5,6]C[4,6]C[5])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6190	0.000	1	109.6190	0.000	1	109.6190	0.000	1	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[4,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]BrH)(C[6]C[6]H)(H)2	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]BrH)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HH)(Br)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0505	0.029	2	109.0505	0.001	2	109.0505	0.001	2	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6,6]H)(H)2	C[6](C[4,6]C[4,6,6]C[4]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6,6]H)(H)2{1|C<3>,3|C<4>}	C[6](C[4,6]C[4,6,6]C[4]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.0443	0.081	4	109.0443	0.007	4	109.3981	0.487	20	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]C)(H)2	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6]2H)	111.0325	0.899	2	111.0325	0.808	2	109.3981	0.487	20	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]H)(H)2	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6480	0.037	2	108.6480	0.001	2	109.3981	0.487	20	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]O)(H)2	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.8870	0.020	2	108.8870	0.000	2	109.3981	0.487	20	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]N[5,6]O)(H)2	C[6](C[4,6]C[4,5,6,6]C[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]N[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[4,6]C[4,5,6,6]C[4]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6170	0.028	2	109.6170	0.001	2	109.3981	0.487	20	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]N[5,6]O)(H)2	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]N[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6]C[6]2H)	109.8640	0.014	2	109.8640	0.000	2	109.3981	0.487	20	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]N[5,6]O)(H)2	C[6](C[4,6]C[4,5,6]N[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[4,6]C[4,5,6]N[4]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.6085	0.042	2	109.6085	0.002	2	109.3981	0.487	20	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]N[6]O)(H)2	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.1145	0.057	2	109.1145	0.003	2	109.3981	0.487	20	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]N[6]O)(H)2	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.1205	0.006	2	109.1205	0.000	2	109.3981	0.487	20	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[5,6]C)(H)2	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[5,6]C)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.9185	0.016	2	108.9185	0.000	2	108.6813	2.333	15	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[5,6]C)(H)2	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[5,6]C)(H)2{2|C<3>,2|C<4>}	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	H(C[6]C[6]2H)	107.9836	0.593	7	107.8581	0.326	9	108.6813	2.333	15	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[5,6]C)(H)2	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[5,6]C)(H)2{2|C<3>,2|C<4>}	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	107.4190	0.058	2	107.8581	0.326	9	108.6813	2.333	15	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]O)(H)2	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,2|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3675	0.005	2	110.4150	3.940	4	108.6813	2.333	15	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]O)(H)2	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	111.4625	2.726	2	110.4150	3.940	4	108.6813	2.333	15	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]BrH)(C[6]C[6]H)(H)2	C[6](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,5])(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]BrH)(C[6]C[6]H)(H)2{2|C<4>,2|O<2>}	C[6](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,5])(C[6]C[6]HH)(Br)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.0410	0.031	2	109.0410	0.001	2	109.0410	0.001	2	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]O)(H)2{1|H<1>,4|C<4>}	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,6|C<4>}	H(C[6]C[6]2H)	113.7940	5.036	2	111.1792	17.572	4	111.1792	17.572	4	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]O)(H)2{1|H<1>,4|C<4>}	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]HH)(H)2{1|H<1>,3|O<2>,6|C<4>}	H(C[6]C[6]2H)	108.5645	0.081	2	111.1792	17.572	4	111.1792	17.572	4	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]N)(H)2	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]N)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	107.8420	0.693	2	107.8420	0.480	2	108.6745	0.251	14	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.3805	0.012	2	108.3805	0.000	2	108.6745	0.251	14	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.4415	0.018	2	108.4415	0.000	2	108.6745	0.251	14	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]C)(H)2	C[6](C[5,5,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,5,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.0360	0.190	6	109.0360	0.036	6	108.6745	0.251	14	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9495	0.013	2	108.9495	0.000	2	108.6745	0.251	14	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]C)(H)2	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.8732	0.038	4	108.8732	0.001	4	108.8177	0.295	63	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]C)(H)2	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[6]2H)	109.0620	0.051	2	109.0620	0.003	2	108.8177	0.295	63	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]C)(H)2	C[6](C[5,6,6]C[5,6,6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6,6]C[5,6,6]2O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[6]2H)	108.6805	0.028	2	108.6805	0.001	2	108.8177	0.295	63	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.5005	0.028	2	108.5005	0.001	2	108.8177	0.295	63	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.3825	0.058	6	108.3825	0.003	6	108.8177	0.295	63	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.4655	0.012	2	108.4655	0.000	2	108.8177	0.295	63	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.5095	0.097	2	109.5095	0.009	2	108.8177	0.295	63	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]N[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6,6]C[5,6]C[6,6]N[5,6])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.5040	0.025	2	109.5040	0.001	2	108.8177	0.295	63	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6,6]C[6,6]N[5,6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2{1|N<3>,1|O<2>,2|C<4>}	C[6](C[5,6,6]C[6,6]N[5,6]O[5])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3247	0.098	4	109.3247	0.010	4	108.8177	0.295	63	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.3300	0.011	2	109.3300	0.000	2	108.8177	0.295	63	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.9620	0.000	1	109.9620	0.000	1	108.8177	0.295	63	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7220	0.020	2	109.7220	0.000	2	108.8177	0.295	63	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1415	0.033	4	109.3010	0.062	6	108.8177	0.295	63	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|S<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6200	0.006	2	109.3010	0.062	6	108.8177	0.295	63	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7505	0.029	2	108.7505	0.001	2	108.8177	0.295	63	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(H)2	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(H)2{4|C<4>}	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.6337	0.031	4	108.4534	0.062	10	108.8177	0.295	63	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(H)2	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(H)2{4|C<4>}	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	108.5005	0.033	4	108.4534	0.062	10	108.8177	0.295	63	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(H)2	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(H)2{4|C<4>}	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.9985	0.026	2	108.4534	0.062	10	108.8177	0.295	63	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(H)2	C[6](C[5,6,6]C[5,5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(H)2{4|C<4>}	C[6](C[5,6,6]C[5,5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5895	0.036	2	108.5895	0.001	2	108.8177	0.295	63	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(H)2{4|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	107.9490	0.069	2	107.9490	0.005	2	108.8177	0.295	63	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]S)(H)2	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]S)(H)2{4|C<4>}	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,1|S<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.2783	0.130	6	108.2783	0.017	6	108.8177	0.295	63	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]N[6]O)(H)2	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]N[6]O)(H)2{1|C<3>,3|C<4>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.2565	0.060	2	108.2565	0.004	2	108.8177	0.295	63	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]O[6]O)(H)2	C[6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]O[6]O)(H)2{3|C<4>}	C[6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.9075	0.005	2	109.9075	0.000	2	108.8177	0.295	63	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]C)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]C)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Br)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5525	0.029	2	109.5525	0.001	2	109.5525	0.001	2	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[3,6]O)(H)2	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[3,6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,2|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.0380	0.011	2	108.9385	1.082	4	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[3,6]O)(H)2	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[3,6]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	H(C[6]C[6]2H)	109.8390	0.049	2	108.9385	1.082	4	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)2	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.1670	0.018	2	110.1670	0.000	2	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)2	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)2{1|C<4>,2|H<1>,2|N<3>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2{1|S<4>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	108.4655	0.100	2	108.4655	0.010	2	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)2{1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.2985	1.260	4	108.2985	1.589	4	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H)2	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	110.2290	0.027	2	110.2290	0.001	2	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]N)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]N)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.1875	0.018	2	109.0795	0.010	6	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]N)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]N)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0255	0.069	4	109.0795	0.010	6	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]N)(H)2	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]N)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4403	0.193	22	109.4403	0.037	22	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.3290	0.330	4	108.5170	0.258	5	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H)2{2|O<1>,4|C<4>}	H(C[6]C[6]2H)	109.2690	0.000	1	108.5170	0.258	5	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,5,6]C[5,6a]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5,6a]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,4|C<3>}	H(C[6]C[6]2H)	108.8980	0.018	2	108.8980	0.000	2	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{5|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.6045	0.023	2	108.6045	0.001	2	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,5]O[5,6]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,5]O[5,6]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	108.2280	0.041	2	108.2280	0.002	2	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>}	H(C[6]C[6]2H)	108.4695	0.154	4	108.4695	0.024	4	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.7593	0.174	3	108.7593	0.030	3	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5007	0.518	4	109.4156	1.098	8	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.3305	0.247	4	109.4156	1.098	8	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.2935	0.009	2	108.2935	0.000	2	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,6]S[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{2|C<3>,2|S<2>}	C[6](C[5,6]C[5,6]S[5]2)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	107.4475	1.863	2	107.4475	3.472	2	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.0063	0.007	3	109.0063	0.000	3	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0930	0.014	2	108.5653	0.835	3	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	107.5100	0.000	1	108.5653	0.835	3	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]O[5,6]C[6a]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]C[6a]O[5])(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.9133	0.116	3	108.9133	0.013	3	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,2|C<4>,2|O<2>}	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.4005	0.016	2	108.4005	0.000	2	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.5065	0.574	8	108.5065	0.330	8	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<4>,2|O<1>,2|O<2>}	H(C[6]C[6]2H)	110.4387	1.942	4	109.9894	1.973	8	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2{2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<1>,2|O<2>}	H(C[6]C[6]2H)	110.0065	0.094	2	109.9894	1.973	8	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2{5|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0735	0.009	2	109.9894	1.973	8	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2{1|C<3>,2|C<4>,2|O<2>}	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[6]C[6]2H)	109.9040	0.000	1	109.9040	0.000	1	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2{2|O<2>,3|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0635	0.798	4	109.0635	0.637	4	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(H)2{1|C<2>,1|N<3>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.0610	0.025	2	109.0610	0.001	2	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	107.7760	0.033	2	107.7760	0.001	2	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.9385	0.009	2	108.9385	0.000	2	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{4|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.9355	0.005	2	108.9355	0.000	2	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.8815	0.034	4	108.9922	0.030	6	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2135	0.008	2	108.9922	0.030	6	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{1|Fe<10>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.9565	0.033	2	108.9565	0.001	2	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<1>,3|C<3>}	H(C[6]C[6]2H)	109.0095	0.023	2	109.0095	0.001	2	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	C[6](C[5,6]C[5]2N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5]2N[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<2>,4|C<3>}	H(C[6]C[6]2H)	109.2957	0.099	3	109.2957	0.010	3	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{2|C<3>,4|C<4>}	H(C[6]C[6]2H)	109.1135	0.019	2	109.1135	0.000	2	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4110	0.004	2	109.4110	0.000	2	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.6600	0.017	2	109.6600	0.000	2	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.6320	0.033	2	108.6320	0.001	2	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.7360	0.023	2	109.7360	0.001	2	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,4|C<3>}	H(C[6]C[6]2H)	110.6855	0.426	4	110.6855	0.181	4	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6650	0.027	2	109.6650	0.001	2	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<2>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.6040	0.040	2	109.6121	1.527	10	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	110.3185	1.020	2	109.6121	1.527	10	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.8420	0.323	4	109.6121	1.527	10	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	111.4540	0.444	2	109.6121	1.527	10	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|Br<1>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5130	0.000	1	109.1045	0.047	13	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0957	0.117	8	109.1045	0.047	13	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2055	0.066	2	109.1045	0.047	13	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.8345	0.363	2	109.1045	0.047	13	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.3380	0.000	1	109.4433	0.009	3	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.4960	0.033	2	109.4433	0.009	3	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3200	0.053	3	109.3200	0.003	3	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<4>}	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]HH)(H)2{1|S<4>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.2955	0.013	2	109.2955	0.000	2	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3090	0.000	1	109.3090	0.000	1	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	109.4478	0.273	6	109.6735	0.502	8	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6]2H)	110.3505	1.385	2	109.6735	0.502	8	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.2510	0.028	2	109.2929	0.018	8	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.2998	0.199	4	109.2929	0.018	8	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|Cl<1>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	109.3210	0.048	2	109.2929	0.018	8	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|S<3>,2|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.9617	0.106	4	108.9617	0.011	4	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.9390	0.000	1	108.9390	0.000	1	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.7770	0.032	4	108.7770	0.001	4	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|N<3>,3|C<4>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2685	0.780	4	109.2685	0.608	4	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,5|C<3>}	H(C[6]C[6]2H)	109.6220	0.007	2	109.6220	0.000	2	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6510	0.024	2	108.6510	0.001	2	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	H(C[6]C[6]2H)	109.1210	0.011	2	109.1210	0.000	2	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3785	0.021	2	109.3785	0.000	2	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.5785	0.008	2	108.5785	0.000	2	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.9360	0.034	2	108.9360	0.001	2	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.1055	0.013	2	109.1055	0.000	2	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.3940	0.025	2	109.6010	3.141	20	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.8910	0.000	1	109.6010	3.141	20	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|B<3>,2|O<1>,3|C<4>}	H(C[6]C[6]2H)	111.4665	0.689	2	109.6010	3.141	20	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,2|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.2150	0.000	1	109.6010	3.141	20	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|O<1>,3|C<3>}	H(C[6]C[6]2H)	109.8575	0.504	2	109.6010	3.141	20	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.4695	0.205	4	109.6010	3.141	20	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	112.8645	2.136	2	109.6010	3.141	20	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.4425	0.012	2	109.6010	3.141	20	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	H(C[6]C[6]2H)	108.0610	0.017	2	109.6010	3.141	20	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	110.9320	2.493	2	109.6010	3.141	20	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8430	0.069	2	108.6785	0.264	12	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.3390	0.471	6	108.6785	0.264	12	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.8305	0.070	2	108.6785	0.264	12	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3805	0.066	2	108.6785	0.264	12	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5800	0.004	2	109.5800	0.000	2	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	110.4415	1.843	4	109.8073	2.018	19	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	110.9862	1.095	4	109.8073	2.018	19	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.6670	0.113	2	109.8073	2.018	19	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.6043	0.279	6	109.8073	2.018	19	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.8200	0.000	1	109.8073	2.018	19	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>}	H(C[6]C[6]2H)	110.4240	2.121	2	109.8073	2.018	19	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.0895	0.032	2	108.0895	0.001	2	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.7645	0.021	2	109.3723	0.362	6	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.6763	0.483	4	109.3723	0.362	6	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.3620	0.000	1	108.7520	0.068	9	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,4|C<4>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6]2H)	108.5630	0.000	1	108.7520	0.068	9	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[6]2H)	108.5663	0.079	3	108.7520	0.068	9	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[6]C[6]2H)	108.7860	0.076	4	108.7520	0.068	9	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8255	0.009	2	109.2960	0.367	5	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.9120	0.000	1	109.2960	0.367	5	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.9585	0.040	2	109.2960	0.367	5	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	110.4583	2.128	8	110.1060	4.072	10	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.6970	0.010	2	110.1060	4.072	10	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.8902	0.070	4	108.8902	0.005	4	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6,6]O)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6,6]O)(H)2{1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7225	0.032	2	109.7225	0.001	2	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]O)(H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]O)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.9350	0.010	2	108.9350	0.000	2	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]O)(H)2	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	109.6420	0.006	2	109.6420	0.000	2	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]O)(H)2	C[6](C[5,6]C[5,6]2C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]O)(H)2{1|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]2C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	H(C[6]C[6]2H)	110.0545	0.021	2	110.0545	0.000	2	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]O)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.5320	0.000	1	108.5320	0.000	1	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]S[6]O)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]S[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|S<2>,2|C<4>}	H(C[6]C[6]2H)	107.4810	0.011	2	107.4810	0.000	2	109.2180	0.944	316	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5x6]HH)(C[6]C[6,6]H)(H)2	C[6](C[5x6]C[4x6]2C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5x6]HH)(C[6]C[6,6]H)(H)2{1|H<1>,4|C<4>}	C[6](C[5x6]C[4x6]2C[6,6])(C[6]C[6]HH)(H)2{3|H<1>,3|O<2>,4|C<4>}	H(C[6]C[6]2H)	113.8685	3.952	2	113.8685	15.618	2	113.8685	15.618	2	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[3,6]O)(H)2	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[3,6]O)(H)2{1|C<3>,1|S<4>,3|C<4>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.6450	0.068	2	108.3492	0.340	6	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[3,6]O)(H)2	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[3,6]O)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.4745	0.022	2	108.3492	0.340	6	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[3,6]O)(H)2	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[3,6]O)(H)2{1|O<2>,4|C<4>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9280	0.007	2	108.3492	0.340	6	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[4,6]O)(H)2	C[6](C[6,6]C[4,6,6]O[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[4,6]O)(H)2{1|O<2>,4|C<4>}	C[6](C[6,6]C[4,6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.7824	0.279	5	108.7824	0.078	5	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6]2H)	109.3640	0.000	1	109.3640	0.000	1	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.2280	0.000	1	109.3496	0.018	5	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2645	0.029	2	109.3496	0.018	5	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6]2H)	109.4955	0.028	2	109.3496	0.018	5	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(H)2	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6]2H)	109.6135	0.005	2	109.6135	0.000	2	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.5335	0.019	2	109.0257	0.157	6	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7717	0.066	4	109.0257	0.157	6	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]O)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	107.8235	0.018	2	107.8235	0.000	2	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]O)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7010	0.006	2	109.7010	0.000	2	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[5]C[6])(H)2	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[5]C[6])(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{1|N<2>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.6252	2.210	4	108.6252	4.883	4	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)2{1|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	109.4740	0.004	2	109.4740	0.000	2	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,4|C<4>}	H(C[6]C[6]2H)	109.8345	0.828	2	109.7417	0.150	6	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.6953	0.116	4	109.7417	0.150	6	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2015	0.029	2	109.2015	0.001	2	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.5425	0.012	2	108.5425	0.000	2	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	109.2650	0.000	1	109.0120	0.048	3	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.8855	0.006	2	109.0120	0.048	3	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|O<1>,3|C<4>}	H(C[6]C[6]2H)	110.6740	1.611	4	109.9963	2.054	11	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.7060	0.000	1	109.9963	2.054	11	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.9305	0.022	2	109.9963	2.054	11	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.1740	1.512	4	109.9963	2.054	11	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|O<2>,4|C<4>}	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|S<3>,2|C<4>}	H(C[6]C[6]2H)	108.9588	0.238	4	108.9588	0.057	4	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.3455	0.081	4	108.3455	0.007	4	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,2|O<1>}	H(C[6]C[6]2H)	107.8680	0.018	2	108.5443	0.855	6	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.8825	0.983	4	108.5443	0.855	6	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.2843	0.915	4	108.7768	3.228	6	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|O<1>,1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7620	3.274	2	108.7768	3.228	6	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,5|C<4>}	H(C[6]C[6]2H)	108.9445	0.009	2	108.9445	0.000	2	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6]2H)	110.1625	0.006	2	110.1625	0.000	2	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.8792	0.277	13	108.8792	0.077	13	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.6547	0.110	3	109.6547	0.012	3	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<2>,1|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	109.1292	0.136	4	109.1292	0.018	4	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|C<3>,4|C<4>}	H(C[6]C[6]2H)	109.3740	0.223	4	109.3039	0.205	41	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.3828	0.023	4	109.3039	0.205	41	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6]2H)	108.9322	0.114	9	109.3039	0.205	41	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6]2H)	109.5495	0.194	2	109.3039	0.205	41	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[6]2H)	109.5815	0.040	4	109.3039	0.205	41	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6]2H)	109.4213	0.173	16	109.3039	0.205	41	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6]2H)	108.9395	2.292	2	109.3039	0.205	41	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6]2H)	109.7315	0.006	2	109.3816	0.311	10	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9342	0.648	4	109.3816	0.311	10	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.6540	0.260	4	109.3816	0.311	10	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.1695	0.040	2	109.2675	0.180	62	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	109.2788	0.182	6	109.2675	0.180	62	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6]2H)	109.4535	0.047	2	109.2675	0.180	62	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.9093	0.037	4	109.2675	0.180	62	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0785	0.033	2	109.2675	0.180	62	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.9640	0.010	2	109.2675	0.180	62	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.9610	0.847	6	109.2675	0.180	62	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6]2H)	108.7613	0.060	4	109.2675	0.180	62	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1457	0.066	4	109.2675	0.180	62	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<3>,4|C<4>}	H(C[6]C[6]2H)	108.7927	0.055	3	109.2675	0.180	62	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.5405	0.019	2	109.2675	0.180	62	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.4535	0.046	2	109.2675	0.180	62	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3900	0.000	1	109.2675	0.180	62	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6]2H)	109.5794	0.326	15	109.2675	0.180	62	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6]2H)	109.5860	0.148	7	109.2675	0.180	62	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]2H)	109.0855	0.134	4	109.1893	0.026	7	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6]2H)	109.3277	0.046	3	109.1893	0.026	7	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,4|C<4>}	H(C[6]C[6]2H)	108.9425	0.053	2	108.9425	0.003	2	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	110.2695	0.074	2	109.9917	0.116	6	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	110.1440	0.034	2	109.9917	0.116	6	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|Cl<1>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.5615	0.011	2	109.9917	0.116	6	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.8625	0.008	2	108.8625	0.000	2	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	108.6109	0.070	7	108.6109	0.005	7	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.9170	0.332	4	109.1998	0.278	6	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{4|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7655	0.313	2	109.1998	0.278	6	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|C<3>,5|C<4>}	H(C[6]C[6]2H)	108.9550	0.000	1	108.9550	0.000	1	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]Cl)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]Cl)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.7680	0.004	2	109.7680	0.000	2	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{4|C<4>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	108.6720	0.095	5	108.6720	0.009	5	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.0858	0.055	4	109.0858	0.003	4	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[5a,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[5a,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9470	0.006	2	108.9470	0.000	2	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2640	0.042	2	109.0512	0.024	10	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9980	0.121	8	109.0512	0.024	10	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.1065	0.019	2	109.1065	0.000	2	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.5690	0.016	2	109.1517	0.040	14	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.0923	0.127	4	109.1517	0.040	14	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0771	0.093	8	109.1517	0.040	14	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	108.0250	4.063	2	108.8807	0.903	41	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.3027	0.151	6	108.8807	0.903	41	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.8340	0.013	2	108.8807	0.903	41	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.2060	0.030	2	108.8807	0.903	41	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4345	0.030	2	108.8807	0.903	41	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.5885	0.772	21	108.8807	0.903	41	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6]2H)	109.3725	0.005	2	108.8807	0.903	41	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.5472	0.233	4	108.8807	0.903	41	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2354	0.245	5	109.2354	0.060	5	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1200	0.000	1	109.1200	0.000	1	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	108.4355	0.013	2	108.4355	0.000	2	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,3|C<4>}	H(C[6]C[6]2H)	109.6490	0.235	5	109.4122	0.252	18	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.3503	0.046	3	109.4122	0.252	18	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,3|C<4>}	H(C[6]C[6]2H)	109.3723	0.831	6	109.4122	0.252	18	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.4255	0.035	2	109.4122	0.252	18	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.0190	0.023	2	109.4122	0.252	18	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|N<2>,6|C<4>}	H(C[6]C[6]2H)	109.4190	0.028	2	109.4190	0.001	2	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2405	0.012	2	109.2405	0.000	2	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.6000	0.038	2	108.6000	0.001	2	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.6659	0.147	8	108.8324	0.166	10	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|H<1>,4|C<4>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.4985	0.482	2	108.8324	0.166	10	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.7975	0.046	2	109.2272	0.249	4	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.6570	0.074	2	109.2272	0.249	4	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.9783	0.162	3	108.9783	0.026	3	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|H<1>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.4208	0.092	6	109.4208	0.008	6	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.4067	0.055	3	108.8427	0.518	23	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	106.9945	0.032	2	108.8427	0.518	23	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.3800	0.000	1	108.8427	0.518	23	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.0060	0.047	2	108.8427	0.518	23	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.8850	0.150	4	108.8427	0.518	23	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0370	0.000	1	108.8427	0.518	23	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.4133	0.200	4	108.8427	0.518	23	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.0623	0.079	3	108.8427	0.518	23	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.2120	0.000	1	108.8427	0.518	23	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	H(C[6]C[6]2H)	108.0755	0.039	2	108.8427	0.518	23	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.9684	0.538	9	109.9686	0.976	11	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.9695	2.729	2	109.9686	0.976	11	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.4085	0.504	129	109.2996	0.811	322	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6]2H)	111.9505	0.450	2	109.2996	0.811	322	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	109.0090	0.008	2	109.2996	0.811	322	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.2712	0.281	28	109.2996	0.811	322	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.4880	0.095	4	109.2996	0.811	322	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.8711	0.316	11	109.2996	0.811	322	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	113.1795	2.278	2	109.2996	0.811	322	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|Cl<1>,1|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.4315	0.016	2	109.2996	0.811	322	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|Cl<1>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.6207	0.507	3	109.2996	0.811	322	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.2175	0.352	4	109.2996	0.811	322	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.4535	0.005	2	109.2996	0.811	322	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.1997	0.159	4	109.2996	0.811	322	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5170	0.000	1	109.2996	0.811	322	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.3840	1.636	43	109.2996	0.811	322	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2659	0.452	30	109.2996	0.811	322	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1175	0.030	2	109.2996	0.811	322	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.8645	0.871	53	109.2996	0.811	322	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.3836	0.688	28	109.2513	0.588	48	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.9462	0.329	6	109.2513	0.588	48	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.2775	0.056	2	109.2513	0.588	48	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	H(C[6]C[6]2H)	109.3045	0.042	2	109.2513	0.588	48	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,5|C<4>}	H(C[6]C[6]2H)	107.9648	0.046	4	109.2513	0.588	48	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.8868	1.268	4	109.2513	0.588	48	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	H(C[6]C[6]2H)	109.5370	0.007	2	109.2513	0.588	48	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.7212	0.149	4	109.7212	0.022	4	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.4510	0.030	2	109.1835	0.321	76	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<2>,1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,2|O<1>}	H(C[6]C[6]2H)	109.2440	0.000	1	109.1835	0.321	76	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	108.7125	0.103	2	109.1835	0.321	76	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9540	0.000	1	109.1835	0.321	76	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,2|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.1075	0.036	2	109.1835	0.321	76	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.4163	0.022	4	109.1835	0.321	76	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4611	0.339	12	109.1835	0.321	76	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,2|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.5170	0.098	3	109.1835	0.321	76	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3130	0.328	3	109.1835	0.321	76	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>}	H(C[6]C[6]2H)	109.8997	1.359	6	109.1835	0.321	76	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<1>}	H(C[6]C[6]2H)	109.2095	0.018	2	109.1835	0.321	76	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4225	0.009	2	109.1835	0.321	76	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<1>}	H(C[6]C[6]2H)	109.0390	0.007	2	109.1835	0.321	76	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.9010	0.000	1	109.1835	0.321	76	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6465	0.123	4	109.1835	0.321	76	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|N<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.3528	0.070	4	109.1835	0.321	76	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2862	0.128	4	109.1835	0.321	76	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.5267	0.018	3	109.1835	0.321	76	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7325	0.078	2	109.1835	0.321	76	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4435	0.019	2	109.1835	0.321	76	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2343	0.136	4	109.1835	0.321	76	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.0122	0.120	4	109.1835	0.321	76	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5070	0.007	2	109.1835	0.321	76	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.7935	0.006	2	109.1835	0.321	76	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.1095	0.021	2	109.1835	0.321	76	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|Cr<9>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.4160	0.013	2	108.4160	0.000	2	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.1820	0.000	1	109.5066	0.957	41	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.4363	1.793	6	109.5066	0.957	41	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0045	0.046	2	109.5066	0.957	41	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<1>}	H(C[6]C[6]2H)	109.3805	0.016	2	109.5066	0.957	41	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.1185	0.324	4	109.5066	0.957	41	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|O<1>}	H(C[6]C[6]2H)	109.0660	1.334	6	109.5066	0.957	41	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2597	0.133	3	109.5066	0.957	41	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8595	0.035	2	109.5066	0.957	41	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.6040	0.023	2	109.5066	0.957	41	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4303	0.547	9	109.5066	0.957	41	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.1877	0.086	4	109.5066	0.957	41	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.0370	0.033	2	109.0370	0.001	2	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]S)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]S)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.0085	0.013	2	109.0085	0.000	2	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.0744	0.481	5	108.3181	0.328	7	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.9275	0.050	2	108.3181	0.328	7	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.4920	0.101	3	109.9234	0.918	11	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.7782	1.231	4	109.9234	0.918	11	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,4|C<4>}	H(C[6]C[6]2H)	109.3920	0.045	4	109.9234	0.918	11	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.3070	0.000	1	108.8056	0.115	32	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	108.7895	0.332	31	108.8056	0.115	32	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.0610	0.013	4	109.2900	0.127	6	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2{4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7480	0.066	2	109.2900	0.127	6	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.4240	0.119	3	108.4547	0.020	6	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5920	0.018	2	108.4547	0.020	6	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.2720	0.000	1	108.4547	0.020	6	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.4005	0.035	2	108.4005	0.001	2	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2	C[6](C[6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	111.0910	0.167	4	111.0910	0.028	4	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5a,6]O)(H)2	C[6](C[6,6]C[5a,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5a,6]O)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6]C[5a,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.5500	0.023	3	108.5500	0.001	3	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5a,6]O)(H)2	C[6](C[6,6]C[5a,6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5a,6]O)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6]C[5a,6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.6030	0.030	2	108.6030	0.001	2	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]N)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]N)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.7870	0.000	1	109.7870	0.000	1	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]O)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]O)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5710	0.008	2	108.5710	0.000	2	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	108.4425	0.018	2	108.4425	0.000	2	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9440	0.412	2	108.9440	0.169	2	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.9435	0.037	2	109.9592	5.736	6	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.4670	2.920	4	109.9592	5.736	6	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]S)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]S)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<1>,2|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.5470	0.090	3	108.5470	0.008	3	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2{3|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.7805	0.015	2	108.7805	0.000	2	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2{3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.3225	0.048	4	108.3225	0.002	4	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2{1|H<1>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.1375	0.032	2	108.1375	0.001	2	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2{1|C<3>,2|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.0965	0.006	2	108.0965	0.000	2	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2{1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2H)	107.9128	0.083	5	107.9128	0.007	5	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	107.7590	0.017	2	107.7590	0.000	2	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2{1|C<3>,2|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.2860	0.006	2	109.3648	1.783	4	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2{3|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	110.4435	0.834	2	109.3648	1.783	4	109.1945	0.670	1023	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(H)2{4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7350	0.000	1	109.7350	0.000	1	109.7350	0.000	1	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]N)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,1|W<7>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(Cl)(H){1|C<4>,1|H<1>,1|N<3>,1|W<7>,2|C<3>}	H(C[6]C[6]2H)	108.5850	0.041	2	108.5850	0.002	2	108.5850	0.002	2	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]B[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]B[6]H)(H)2{1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|B<4>,3|H<1>}	H(C[6]C[6]2H)	108.7040	0.016	2	108.7040	0.000	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7361	1.469	8	109.0659	1.253	34	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1782	0.282	12	109.0659	1.253	34	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{1|Pt<4>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6265	0.499	2	109.0659	1.253	34	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1690	0.037	2	109.0659	1.253	34	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.2892	1.434	8	109.0659	1.253	34	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1550	1.317	2	109.0659	1.253	34	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]Br)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Br<1>,1|C<3>,1|N<2>}	H(C[6]C[6]2H)	109.6140	0.000	1	109.6140	0.000	1	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.2497	0.201	10	109.2331	0.083	20	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.3352	0.446	6	109.2331	0.083	20	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<2>}	H(C[6]C[6]2H)	109.0385	0.016	4	109.2331	0.083	20	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.1185	0.029	2	108.1185	0.001	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|N<3>}	H(C[6]C[6]2H)	108.6190	0.000	1	109.2194	0.280	5	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.3695	0.473	4	109.2194	0.280	5	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.0280	0.028	2	109.8912	1.899	4	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.7545	1.648	2	109.8912	1.899	4	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2535	0.043	2	109.3272	1.234	14	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.0850	0.064	2	109.3272	1.234	14	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.4015	0.232	4	109.3272	1.234	14	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>}	H(C[6]C[6]2H)	108.9480	0.210	4	109.3272	1.234	14	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.2530	3.647	2	109.3272	1.234	14	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	109.0965	0.025	2	109.3073	0.573	50	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.5920	0.033	2	109.3073	0.573	50	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	110.5633	0.301	4	109.3073	0.573	50	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.3195	0.013	2	109.3073	0.573	50	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2050	0.154	4	109.3073	0.573	50	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.6915	0.006	2	109.3073	0.573	50	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	108.6865	0.016	2	109.3073	0.573	50	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	108.4480	0.041	2	109.3073	0.573	50	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.7694	0.100	9	109.3073	0.573	50	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	110.9250	1.885	2	109.3073	0.573	50	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9390	0.000	1	109.3073	0.573	50	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4520	0.027	2	109.3073	0.573	50	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0165	0.149	13	109.3073	0.573	50	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1740	0.038	2	109.3073	0.573	50	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.4440	0.000	1	109.3073	0.573	50	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7520	1.403	2	109.2420	0.534	10	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1145	0.559	8	109.2420	0.534	10	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7145	0.013	2	108.7145	0.000	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2756	0.100	18	109.1996	0.053	29	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	108.5890	0.000	1	109.1996	0.053	29	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.9916	0.114	8	109.1996	0.053	29	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.6525	0.008	2	109.1996	0.053	29	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]SS)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|H<1>,2|C<4>,2|S<4>}	C[6](C[6]C[6]HH)(C[6]C[6]SS)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3355	0.018	2	109.3355	0.000	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>}	H(C[6]C[6]2H)	109.3400	0.000	1	109.4947	0.018	3	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{3|C<3>}	H(C[6]C[6]2H)	109.5720	0.017	2	109.4947	0.018	3	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]2H)	109.7055	0.008	2	109.7719	0.007	11	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{2|C<3>}	H(C[6]C[6]2H)	109.5940	0.000	1	109.7719	0.007	11	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{2|C<3>}	H(C[6]C[6]2H)	109.8855	0.022	2	109.7719	0.007	11	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]2H)	109.7858	0.032	6	109.7719	0.007	11	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]S[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|S<2>}	C[6](C[6]C[6]HH)(C[6]S[6]CC)(H)2{2|C<3>}	H(C[6]C[6]2H)	108.7215	0.006	2	108.7215	0.000	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]S[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|N<3>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]S[6]HH)(H)2{1|C<2>,1|C<3>}	H(C[6]C[6]2H)	109.4120	0.447	2	109.4120	0.200	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	109.5675	2.906	2	109.1799	0.419	529	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8465	0.538	4	109.1799	0.419	529	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.9225	0.243	19	109.1799	0.419	529	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	110.0160	0.049	2	109.1799	0.419	529	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0151	0.212	41	109.1799	0.419	529	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.1380	0.204	6	109.1799	0.419	529	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<2>}	H(C[6]C[6]2H)	109.0355	0.026	2	109.1799	0.419	529	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{3|C<3>}	H(C[6]C[6]2H)	109.5463	0.472	6	109.1799	0.419	529	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{3|C<3>}	H(C[6]C[6]2H)	109.2527	0.440	192	109.1799	0.419	529	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|S<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{3|C<3>}	H(C[6]C[6]2H)	110.2453	1.681	6	109.1799	0.419	529	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	108.8555	0.145	16	109.1799	0.419	529	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	108.4815	0.013	2	109.1799	0.419	529	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	108.7184	0.535	12	109.1799	0.419	529	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|C<3>}	H(C[6]C[6]2H)	109.4215	0.011	2	109.1799	0.419	529	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	108.2067	0.103	4	109.1799	0.419	529	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{3|C<3>}	H(C[6]C[6]2H)	109.3459	0.349	8	109.1799	0.419	529	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	108.5395	0.043	2	109.1799	0.419	529	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9590	0.105	10	109.1799	0.419	529	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5970	0.276	8	109.1799	0.419	529	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9808	0.082	4	109.1799	0.419	529	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.8367	0.185	4	109.1799	0.419	529	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.0505	0.056	4	109.1799	0.419	529	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.7410	0.018	3	109.1799	0.419	529	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.4715	0.237	4	109.1799	0.419	529	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.2550	0.044	2	109.1799	0.419	529	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	109.3000	0.025	2	109.1799	0.419	529	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0110	0.331	31	109.1799	0.419	529	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	110.1815	1.307	4	109.1799	0.419	529	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4381	0.836	21	109.1799	0.419	529	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5727	0.114	6	109.1799	0.419	529	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2929	1.388	34	109.1799	0.419	529	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	109.5535	0.045	2	109.1799	0.419	529	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.6322	1.365	6	109.1799	0.419	529	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|Cl<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{3|C<3>}	H(C[6]C[6]2H)	109.2506	0.217	16	109.1799	0.419	529	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|Pd<4>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{3|C<3>}	H(C[6]C[6]2H)	109.3535	0.459	4	109.1799	0.419	529	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|Te<3>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{3|C<3>}	H(C[6]C[6]2H)	109.4495	0.192	4	109.1799	0.419	529	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<2>,2|C<3>}	H(C[6]C[6]2H)	108.8775	0.066	2	109.1799	0.419	529	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0813	0.409	3	109.1799	0.419	529	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.9270	0.036	4	109.1799	0.419	529	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1735	0.026	4	109.1799	0.419	529	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3952	0.267	21	109.1799	0.419	529	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]N[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|C<4>}	C[6](C[6]C[6]N[5]C)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.1284	2.559	8	109.1284	6.550	8	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.2070	0.057	2	109.2070	0.003	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,5|C<3>}	H(C[6]C[6]2H)	109.4720	0.000	1	109.4720	0.000	1	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	110.0050	0.031	2	110.0050	0.001	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.3390	0.024	2	109.3390	0.001	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|Si<4>,1|C<3>,2|H<1>}	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	108.0400	0.017	2	108.0400	0.000	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.3810	0.006	2	109.3810	0.000	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{4|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.1885	0.023	2	109.1885	0.001	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.2160	0.245	10	109.2160	0.060	10	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	108.8100	0.112	6	108.8100	0.013	6	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	110.2705	1.522	2	110.2705	2.318	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|Cl<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	110.7445	2.502	2	110.7445	6.262	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.1315	0.023	2	109.1315	0.001	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3600	0.000	1	109.3600	0.000	1	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]BrC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]BrC)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	110.7223	1.205	4	110.7223	1.453	4	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.5140	0.293	2	108.5140	0.086	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8325	0.023	2	109.3895	0.703	26	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	109.7355	1.119	12	109.3895	0.703	26	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.0427	0.134	8	109.3895	0.703	26	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3238	0.459	4	109.3895	0.703	26	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.1697	0.088	3	109.4806	0.360	14	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	109.3895	0.016	2	109.4806	0.360	14	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[6]2H)	109.9310	1.321	2	109.4806	0.360	14	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	110.3855	0.161	2	109.4806	0.360	14	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.3050	0.000	1	109.4806	0.360	14	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1125	0.056	2	109.4806	0.360	14	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.1390	0.051	2	109.4806	0.360	14	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.1390	0.000	1	108.9290	0.280	4	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.1923	0.059	3	108.9290	0.280	4	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CP)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|P<4>}	C[6](C[6]C[6]CP)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3045	0.015	2	109.3045	0.000	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|Fe<7>,1|C<4>,2|H<1>}	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	108.4790	0.023	2	108.4790	0.001	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.7785	0.022	2	109.7695	0.911	6	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.2650	0.732	4	109.7695	0.911	6	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	110.8797	1.676	3	109.6514	0.962	17	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|I<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Cl<1>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1735	0.134	2	109.6514	0.962	17	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.5287	0.889	6	109.6514	0.962	17	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3193	0.111	6	109.6514	0.962	17	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|P<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3570	0.775	2	109.3570	0.601	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|S<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|S<3>,2|H<1>}	H(C[6]C[6]2H)	101.7970	2.270	2	101.7970	5.152	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]SS)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|S<4>}	C[6](C[6]C[6]HH)(C[6]C[6]SS)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6370	0.014	2	109.6370	0.000	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|N<3>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Li<3>,1|C<3>,1|H<1>}	H(C[6]C[6]2H)	109.9300	0.006	4	109.9300	0.000	4	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[6]C[6]2H)	109.0890	0.014	2	109.0890	0.000	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|N<3>,1|O<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Si<5>,1|C<3>,1|H<1>}	H(C[6]C[6]2H)	109.4915	0.015	2	109.6309	0.014	8	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|N<4>,1|O<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Li<3>,1|Li<4>,1|C<3>,1|H<1>}	H(C[6]C[6]2H)	109.6975	0.117	4	109.6309	0.014	8	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|N<4>,1|O<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Li<3>,1|Li<5>,1|C<3>,1|H<1>}	H(C[6]C[6]2H)	109.6370	0.006	2	109.6309	0.014	8	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]2H)	109.7275	0.066	2	109.7275	0.004	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]2H)	109.6625	0.053	2	109.6058	0.006	4	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]2H)	109.5490	0.037	2	109.6058	0.006	4	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]P[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|P<3>}	C[6](C[6]C[6]HH)(C[6]P[6]CH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	108.7580	0.032	4	108.7580	0.001	4	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.3859	1.712	8	109.2552	2.091	240	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<2>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.5505	0.100	2	109.2552	2.091	240	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<2>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8950	1.130	2	109.2552	2.091	240	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4202	0.500	8	109.2552	2.091	240	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.0412	0.186	8	109.2552	2.091	240	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.1979	0.171	9	109.2552	2.091	240	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.9785	0.019	2	109.2552	2.091	240	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.0742	0.123	5	109.2552	2.091	240	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3044	0.862	32	109.2552	2.091	240	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.4518	0.298	4	109.2552	2.091	240	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.4585	0.009	2	109.2552	2.091	240	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	108.6030	0.013	2	109.2552	2.091	240	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	108.3862	1.195	4	109.2552	2.091	240	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.4205	0.735	2	109.2552	2.091	240	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0510	0.030	2	109.2552	2.091	240	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.0323	0.024	4	109.2552	2.091	240	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|F<1>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.1495	0.015	2	109.2552	2.091	240	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0680	0.033	2	109.2552	2.091	240	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.2918	3.555	4	109.2552	2.091	240	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7722	5.309	8	109.2552	2.091	240	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2H)	109.2237	0.031	3	109.2552	2.091	240	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	109.8595	0.026	2	109.2552	2.091	240	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4258	1.838	26	109.2552	2.091	240	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.3503	0.122	10	109.2552	2.091	240	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	111.3790	1.187	2	109.2552	2.091	240	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	111.7015	0.080	2	109.2552	2.091	240	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.2837	0.089	4	109.2552	2.091	240	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	109.3325	0.040	2	109.2552	2.091	240	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2515	0.140	4	109.2552	2.091	240	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.1985	1.008	2	109.2552	2.091	240	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[6]C[6]2H)	109.8215	1.260	4	109.2552	2.091	240	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4061	3.217	8	109.2552	2.091	240	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Sn<5>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.3340	0.066	2	109.2552	2.091	240	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<5>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3045	0.011	2	109.2552	2.091	240	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|Hf<8>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Hf<8>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	109.2910	0.010	2	109.2552	2.091	240	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|Pt<4>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2910	0.038	2	109.2552	2.091	240	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9277	0.262	6	109.2552	2.091	240	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	109.0070	0.008	2	109.2552	2.091	240	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.0461	0.350	41	109.2552	2.091	240	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3075	0.023	2	109.2552	2.091	240	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]PdH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|Pd<5>,1|C<4>,2|H<1>}	C[6](C[6]C[6]PdH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.0440	2.256	2	107.0440	5.088	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]SiC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|Si<4>,1|C<4>,2|C<3>}	C[6](C[6]C[6]SiC)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.4910	0.008	2	109.4910	0.000	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|Si<4>,1|C<3>,2|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.7885	2.843	2	109.7885	8.084	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6]2H)	110.5280	0.018	2	110.5280	0.000	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|O<2>}	H(C[6]C[6]2H)	108.7500	0.007	2	108.7500	0.000	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>}	H(C[6]C[6]2H)	109.4960	0.010	2	109.7092	1.286	4	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.9225	1.917	2	109.7092	1.286	4	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.2767	0.309	11	109.1901	0.131	13	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<2>,3|C<4>}	H(C[6]C[6]2H)	108.7135	0.279	2	109.1901	0.131	13	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	105.4323	7.956	2	105.4323	63.298	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.9550	0.006	2	109.6975	0.926	6	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	110.0688	0.996	4	109.6975	0.926	6	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>}	H(C[6]C[6]2H)	109.6400	0.010	2	109.6940	0.005	4	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	109.7480	0.062	2	109.6940	0.005	4	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|N<2>}	H(C[6]C[6]2H)	109.5437	0.037	3	109.5437	0.001	3	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|Br<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.1650	0.011	2	109.3942	1.999	253	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Br<1>,1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2H)	108.9545	0.101	2	109.3942	1.999	253	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Br<1>,1|C<3>,1|N<2>}	H(C[6]C[6]2H)	109.1125	0.011	2	109.3942	1.999	253	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.4443	1.972	6	109.3942	1.999	253	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.8322	0.155	10	109.3942	1.999	253	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<2>}	H(C[6]C[6]2H)	109.3330	0.021	2	109.3942	1.999	253	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.8677	0.241	3	109.3942	1.999	253	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.7268	2.572	12	109.3942	1.999	253	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.8363	1.932	8	109.3942	1.999	253	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	107.9965	0.053	2	109.3942	1.999	253	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.3192	0.331	61	109.3942	1.999	253	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.4290	0.020	2	109.3942	1.999	253	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.8350	0.597	4	109.3942	1.999	253	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	108.5220	0.004	2	109.3942	1.999	253	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	110.8605	2.953	8	109.3942	1.999	253	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.1110	0.000	1	109.3942	1.999	253	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2H)	109.5187	0.214	3	109.3942	1.999	253	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.3707	1.479	105	109.3942	1.999	253	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.6780	0.149	9	109.3942	1.999	253	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|Li<5>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	109.1260	0.101	3	109.3942	1.999	253	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<2>,1|O<2>}	H(C[6]C[6]2H)	106.3100	6.090	2	109.3942	1.999	253	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<2>,2|C<3>}	H(C[6]C[6]2H)	109.6690	0.010	2	109.3942	1.999	253	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.0940	0.000	1	109.3942	1.999	253	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.8750	0.000	1	109.3942	1.999	253	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.5486	0.219	14	109.3697	0.537	35	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.4110	0.000	1	109.3697	0.537	35	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.2395	0.009	2	109.3697	0.537	35	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.1748	0.113	4	109.3697	0.537	35	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.3939	1.430	8	109.3697	0.537	35	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.9795	0.492	4	109.3697	0.537	35	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.8000	0.028	2	109.3697	0.537	35	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.5905	0.016	2	109.5905	0.000	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|P<4>,3|C<4>}	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,3|O<2>}	H(C[6]C[6]2H)	108.6005	0.064	2	108.6005	0.004	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|W<7>,2|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|W<7>}	H(C[6]C[6]2H)	109.8800	0.006	2	109.8800	0.000	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,1|S<2>,2|C<4>}	H(C[6]C[6]2H)	108.8445	0.310	11	109.2224	0.802	17	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.2385	0.310	4	109.2224	0.802	17	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|O<2>}	H(C[6]C[6]2H)	111.2685	1.283	2	109.2224	0.802	17	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.9195	1.899	24	109.9195	3.607	24	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	112.6005	0.146	2	109.6688	2.058	12	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.9343	0.268	4	109.6688	2.058	12	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.0205	0.011	2	109.6688	2.058	12	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.6415	0.074	2	109.6688	2.058	12	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.8820	0.045	2	109.6688	2.058	12	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|O<1>}	H(C[6]C[6]2H)	108.3495	0.019	4	109.1839	0.864	52	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.4855	0.095	2	109.1839	0.864	52	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.1630	0.122	3	109.1839	0.864	52	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.0265	0.009	2	109.1839	0.864	52	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	107.9640	0.048	2	109.1839	0.864	52	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.2640	0.054	4	109.1839	0.864	52	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.2593	0.200	14	109.1839	0.864	52	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.5583	0.241	3	109.1839	0.864	52	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.3470	1.556	16	109.1839	0.864	52	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.4060	0.045	2	109.1839	0.864	52	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	107.9615	2.587	2	107.6658	2.434	4	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	107.3700	0.508	2	107.6658	2.434	4	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	111.2205	1.850	4	111.2205	3.423	4	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.9020	0.000	1	108.9020	0.000	1	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.6220	0.004	2	109.6220	0.000	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.7267	0.140	6	109.1718	0.437	20	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<4>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	110.3650	0.020	3	109.1718	0.437	20	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	108.7740	0.031	2	109.1718	0.437	20	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.0920	0.000	1	109.1718	0.437	20	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<1>,1|S<2>}	H(C[6]C[6]2H)	109.6800	0.000	1	109.1718	0.437	20	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.6560	0.970	2	109.1718	0.437	20	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.5730	0.016	2	109.1718	0.437	20	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|O<1>}	H(C[6]C[6]2H)	109.1420	0.000	1	109.1718	0.437	20	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.0305	0.012	2	109.1718	0.437	20	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|P<4>,1|W<7>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,1|H<1>,1|O<1>,1|W<7>}	H(C[6]C[6]2H)	109.6970	0.199	2	109.6970	0.040	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,1|O<1>}	H(C[6]C[6]2H)	109.5555	0.049	2	109.5555	0.002	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|O<1>}	H(C[6]C[6]2H)	108.7405	0.110	4	108.7405	0.012	4	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]S[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|S<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]S[6]HH)(H)2{1|C<4>,3|O<1>}	H(C[6]C[6]2H)	108.9985	0.016	2	108.9985	0.000	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|Br<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.0085	0.036	2	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.4480	0.024	2	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|F<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.9605	0.015	2	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.2487	0.462	7	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.8454	1.610	14	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.3033	0.129	4	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	108.9035	0.041	4	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.0553	0.175	3	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	109.6345	5.421	2	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	108.7004	0.265	8	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.8998	1.365	6	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.5846	1.512	70	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.5320	0.357	4	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.5768	0.208	4	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|O<1>}	H(C[6]C[6]2H)	108.9100	0.162	4	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	108.3650	0.090	4	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.1880	0.006	2	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.3473	0.332	9	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.6335	0.104	4	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.3605	0.028	2	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	108.8705	0.009	2	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<1>,1|S<2>}	H(C[6]C[6]2H)	111.8325	6.779	2	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	109.2830	0.262	14	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.3956	1.331	8	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|O<1>}	H(C[6]C[6]2H)	109.1270	0.780	6	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	108.7694	0.771	14	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	108.0977	1.975	4	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.9045	2.754	2	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.8196	3.804	13	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.1298	0.059	4	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|O<1>}	H(C[6]C[6]2H)	110.7960	6.180	4	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	107.8373	0.853	7	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|F<1>,1|P<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.3127	0.308	3	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.7730	0.007	2	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	112.2275	5.932	2	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|S<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.8120	0.006	2	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.6633	0.916	6	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.1440	0.041	2	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.2301	0.236	15	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.3175	0.025	2	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.1060	0.000	1	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.1590	0.151	6	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	108.8680	0.059	2	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.5880	1.439	26	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.8583	2.904	34	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<1>,1|P<4>,2|C<4>}	H(C[6]C[6]2H)	108.8075	0.045	2	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.4415	0.036	2	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.6440	0.038	2	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|Ni<5>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	108.4830	0.000	1	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|Ni<5>,1|C<5>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Ni<5>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.6480	0.000	1	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|B<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	110.0060	0.014	2	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.5609	0.443	8	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|Pt<4>,1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|O<1>}	H(C[6]C[6]2H)	108.7947	0.029	3	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.3403	0.691	3	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<2>,1|O<2>}	H(C[6]C[6]2H)	110.1670	1.700	2	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.9410	0.400	7	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|O<1>}	H(C[6]C[6]2H)	109.3974	1.613	12	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|B<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	111.0675	2.412	10	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	107.2550	4.221	2	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.7590	0.041	2	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.6805	0.049	2	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.3322	0.387	83	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.2606	0.471	10	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	111.1423	2.748	6	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.3865	0.011	2	109.4122	2.621	502	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.3616	0.475	14	109.3616	0.225	14	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	109.6230	0.025	2	109.6230	0.001	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6]2H)	109.3517	0.308	4	109.3330	0.042	8	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2665	0.005	2	109.3330	0.042	8	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3620	0.018	2	109.3330	0.042	8	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]S)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6a]C[6]S)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.5482	0.102	8	108.5482	0.010	8	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]P)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]P)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[6]C[6]2H)	109.5032	0.257	27	109.5032	0.066	27	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]Pt)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]Pt)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Pt<4>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.2165	0.049	2	108.2165	0.002	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CS)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]S)(H)2{1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]HH)(C[6]N[6]CS)(H)2{1|C<3>,1|S<2>,1|S<4>}	H(C[6]C[6]2H)	109.3895	0.009	2	109.3895	0.000	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]S)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]S)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<1>,1|S<2>}	H(C[6]C[6]2H)	109.6730	2.618	2	109.6730	6.852	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]Se)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]Se)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Se<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.5637	0.174	4	107.5637	0.030	4	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	108.8545	0.081	2	108.8545	0.007	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2{1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]N[6]HO)(H)2{1|C<3>,1|N<2>,1|S<4>}	H(C[6]C[6]2H)	110.5840	1.786	2	110.5840	3.190	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<2>,2|C<4>}	H(C[6]C[6]2H)	109.8805	2.670	4	109.2683	2.657	10	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.8920	0.006	2	109.2683	2.657	10	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2{1|Ir<6>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.8443	0.082	4	109.2683	2.657	10	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.3805	0.011	2	109.3805	0.000	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.9240	0.037	4	108.9240	0.001	4	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6]2H)	109.8300	0.049	2	109.8300	0.002	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)2{1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6]2H)	109.4050	0.033	2	109.4050	0.001	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	108.9960	0.000	1	108.9960	0.000	1	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|N<2>}	H(C[6]C[6]2H)	110.2429	1.784	7	109.4208	10.044	23	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2{1|Cu<2>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{3|N<3>}	H(C[6]C[6]2H)	108.3574	5.169	8	109.4208	10.044	23	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2{1|Fe<6>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<2>,2|N<3>}	H(C[6]C[6]2H)	109.8105	0.189	4	109.4208	10.044	23	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2{1|Fe<6>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{3|N<3>}	H(C[6]C[6]2H)	109.7190	0.055	4	109.4208	10.044	23	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.4516	0.196	8	108.3936	0.055	19	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.3143	0.274	9	108.3936	0.055	19	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.5185	0.018	2	108.3936	0.055	19	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|F<1>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.6875	0.021	2	108.6875	0.000	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|N<3>,2|O<1>}	H(C[6]C[6]2H)	108.7916	12.971	4	109.3301	102.120	6	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	110.4070	1.540	2	109.3301	102.120	6	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<2>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	107.8100	0.010	2	108.3914	0.077	15	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.3630	0.000	1	108.3914	0.077	15	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.5495	0.025	2	108.3914	0.077	15	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.6075	0.178	4	108.3914	0.077	15	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.5415	0.009	2	108.3914	0.077	15	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<1>,2|N<3>}	H(C[6]C[6]2H)	108.3190	0.033	4	108.3914	0.077	15	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.5550	0.010	2	108.5550	0.000	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.0490	0.031	2	109.1452	1.676	107	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.3430	0.004	2	109.1452	1.676	107	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|O<1>}	H(C[6]C[6]2H)	109.0725	0.096	12	109.1452	1.676	107	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,1|O<1>,1|S<2>}	H(C[6]C[6]2H)	109.1203	0.176	3	109.1452	1.676	107	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|O<1>}	H(C[6]C[6]2H)	109.9258	1.924	27	109.1452	1.676	107	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.2635	0.012	2	109.1452	1.676	107	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<2>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.8000	0.071	4	109.1452	1.676	107	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	110.5520	2.651	4	109.1452	1.676	107	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.3012	1.165	12	109.1452	1.676	107	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.5818	0.142	25	109.1452	1.676	107	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|Pd<4>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|O<1>}	H(C[6]C[6]2H)	108.9930	0.249	4	109.1452	1.676	107	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|O<1>}	H(C[6]C[6]2H)	109.0565	0.217	4	109.1452	1.676	107	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	107.9235	0.015	2	109.1452	1.676	107	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.3475	0.381	4	109.1452	1.676	107	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]N[5]F)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|F<1>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[5]F)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|O<1>}	H(C[6]C[6]2H)	110.7518	2.060	8	110.7518	4.244	8	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|O<1>}	H(C[6]C[6]2H)	108.5515	0.005	2	108.9519	0.062	24	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<1>}	H(C[6]C[6]2H)	108.8266	0.098	8	108.9519	0.062	24	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|O<1>}	H(C[6]C[6]2H)	109.0807	0.230	14	108.9519	0.062	24	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|O<1>}	H(C[6]C[6]2H)	109.0230	0.000	1	109.0230	0.000	1	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]S)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]S)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,1|O<1>,1|S<2>}	H(C[6]C[6]2H)	109.0843	0.084	3	109.0843	0.007	3	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]H)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]H)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.5463	0.100	4	109.5463	0.010	4	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.4577	0.057	6	108.4577	0.003	6	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{1|Br<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	107.6490	0.638	4	107.6490	0.407	4	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	107.7375	0.013	2	107.7375	0.000	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.3405	0.582	4	108.3405	0.338	4	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.7320	0.049	2	109.7320	0.002	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	107.8120	0.007	2	107.8120	0.000	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{1|C<4>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]CO)(H)2{1|O<1>,1|O<2>}	H(C[6]C[6]2H)	110.0620	0.000	1	110.0620	0.000	1	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|O<1>}	H(C[6]C[6]2H)	108.9513	0.114	4	108.4042	0.290	12	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	107.8580	0.051	2	108.4042	0.290	12	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	107.9280	0.200	4	108.4042	0.290	12	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|H<1>,2|O<2>}	H(C[6]C[6]2H)	108.8085	0.008	2	108.4042	0.290	12	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|O<1>}	H(C[6]C[6]2H)	108.7590	0.030	4	108.7590	0.001	4	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.3825	0.009	2	108.3825	0.000	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]Ru)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]Ru)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Ru<6>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	107.9500	0.051	2	107.9500	0.003	2	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]P[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]P[6]O)(H)2{1|C<3>,1|C<4>,1|W<6>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|P<4>,2|O<1>}	H(C[6]C[6]2H)	109.0718	0.287	6	109.0626	0.048	12	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]P[6]O)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]P[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|P<3>,2|O<1>}	H(C[6]C[6]2H)	109.0533	0.154	6	109.0626	0.048	12	109.2662	1.795	2458	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6884	0.430	8	108.6884	0.185	8	108.6884	0.185	8	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2	C[6](N[6]C[6]Ru2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2{1|Ru<8>,1|Ru<9>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Ru2)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	110.3455	2.198	2	110.3455	4.833	2	110.3455	4.833	2	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]P[6]HH)(C[6]B[6]C)(H)2	C[6](P[6]C[6a]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]P[6]HH)(C[6]B[6]C)(H)2{1|O<2>,4|C<3>}	C[6](P[6]C[6a]2O[6])(C[6]C[6]HH)(H)2{1|B<4>,5|C<3>}	H(C[6]C[6]2H)	109.3035	0.005	2	109.3035	0.000	2	109.3035	0.000	2	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]Si[6]HH)(C[6]C[6]O)(H)2	C[6](Si[6]C[6a]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]Si[6]HH)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](Si[6]C[6a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.7313	0.124	3	108.7313	0.015	3	108.7216	0.013	7	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]Si[6]HH)(C[6]C[6]O)(H)2	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]Si[6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.7142	0.126	4	108.7142	0.016	4	108.7216	0.013	7	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)(I)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2	H(C[6]C[6]2I)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)(I){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2I)	109.3170	0.000	1	109.3170	0.000	1	109.3170	0.000	1	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:O-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]H)(H)(O)	C[6](C[6]C[6]HO)2(Br)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(H)(O){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(Br)(H){1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]2O)	112.1720	0.000	1	112.1720	0.000	1	112.1720	0.000	1	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:O-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)(O)	C[6](C[6]C[6]HO)2(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)(O){1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)2(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2O)	110.5760	0.000	1	110.5760	0.000	1	110.5760	0.000	1	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(N[6]C[6]S)(H)2	C[6](C[3,6,6]C[3,6]2C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[3,6,6]HH)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6,6]C[3,6]2C[6])(C[6]N[6]HH)(H)2{1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.0055	0.202	4	110.0055	0.041	4	110.0055	0.041	4	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(N[6]C[6]C)(H)2	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[3,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.3010	0.040	2	109.3010	0.002	2	109.6320	0.096	10	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(N[6]C[6]S)(H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[3,6]HH)(N[6]C[6]S)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.2795	0.030	2	109.2795	0.001	2	109.6320	0.096	10	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(N[6]C[6]S)(H)2	C[6](C[3,6]C[3]C[6]O[3])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[3,6]HH)(N[6]C[6]S)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]N[6]HH)(H)2{1|S<4>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.8598	0.127	6	109.8598	0.016	6	109.6320	0.096	10	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.7470	0.068	2	109.7470	0.005	2	109.4124	0.133	38	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6]N[6]H)	109.0235	0.752	4	109.2947	0.330	8	109.4124	0.133	38	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	109.4875	0.029	2	109.2947	0.330	8	109.4124	0.133	38	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6]N[6]H)	109.6445	0.005	2	109.2947	0.330	8	109.4124	0.133	38	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	109.1615	0.019	2	109.4042	0.080	24	109.4124	0.133	38	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.7020	0.033	2	109.4042	0.080	24	109.4124	0.133	38	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2{2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	109.5100	0.016	2	109.4042	0.080	24	109.4124	0.133	38	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.4666	0.202	14	109.4042	0.080	24	109.4124	0.133	38	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2{3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4825	0.018	2	109.4042	0.080	24	109.4124	0.133	38	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6]N[6]H)	108.7285	0.005	2	109.4042	0.080	24	109.4124	0.133	38	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(N[6]C[6]C)(H)2	C[6](C[3x6]C[6,6a]C[6,6]2)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[3x6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[3x6]C[6,6a]C[6,6]2)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.2175	0.033	2	109.2175	0.001	2	109.4124	0.133	38	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(N[6]C[6]S)(H)2	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[3x6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.8410	0.051	2	109.8410	0.003	2	109.4124	0.133	38	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(N[6]C[6]H)(H)2	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[4,6]HH)(N[6]C[6]H)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.7115	0.110	2	109.7115	0.012	2	109.4928	0.068	4	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(N[6]C[6]S)(H)2	C[6](C[4,6]C[4,6]N[4]C)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[4,6]HH)(N[6]C[6]S)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]N[4]C)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]N[6]H)	109.2740	0.045	2	109.2740	0.002	2	109.4928	0.068	4	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(N[6]C[6,6]C)(H)2	C[6](C[4x6]C[6,6a]C[4x6]C[6,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[4x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[4x6]C[6,6a]C[4x6]C[6,6])(C[6]N[6]HH)(H)2{1|H<1>,2|N<3>,3|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.4942	0.084	4	109.4942	0.007	4	109.4942	0.007	4	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|O<2>,4|C<4>}	H(C[6]C[6]N[6]H)	109.4785	0.049	2	109.6592	2.057	35	109.6592	2.057	35	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|H<1>,2|O<2>,3|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.2870	0.000	1	109.6592	2.057	35	109.6592	2.057	35	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	109.6208	0.104	4	109.6592	2.057	35	109.6592	2.057	35	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.2655	0.019	2	109.6592	2.057	35	109.6592	2.057	35	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.8483	1.642	24	109.6592	2.057	35	109.6592	2.057	35	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,4|C<3>}	H(C[6]C[6]N[6]H)	108.2270	1.546	2	109.6592	2.057	35	109.6592	2.057	35	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]C)(H)2	C[6](C[5,4x6]C[5,6,6a]C[4,4x6]C[5,6,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,4x6]C[5,6,6a]C[4,4x6]C[5,6,6])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|O<2>,4|C<4>}	H(C[6]C[6]N[6]H)	109.7830	0.004	2	109.7830	0.000	2	109.9133	2.129	17	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]C)(H)2	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2{1|C<2>,1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.9635	0.053	2	109.9307	2.430	15	109.9133	2.129	17	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]C)(H)2	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	H(C[6]C[6]N[6]H)	109.3253	0.217	4	109.9307	2.430	15	109.9133	2.129	17	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]C)(H)2	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>,4|C<4>}	H(C[6]C[6]N[6]H)	110.3761	2.263	7	109.9307	2.430	15	109.9133	2.129	17	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]C)(H)2	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2{1|O<2>,3|C<3>,5|C<4>}	H(C[6]C[6]N[6]H)	109.5495	0.008	2	109.9307	2.430	15	109.9133	2.129	17	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(N[6]C[6]S)(H)2	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,5,6,6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]N[6]HH)(H)2{1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7855	0.033	2	109.7490	0.002	4	109.7490	0.002	4	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(N[6]C[6]S)(H)2	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,5,6,6]HH)(N[6]C[6]S)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.7125	0.032	2	109.7490	0.002	4	109.7490	0.002	4	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(N[6]C[5,6]C)(H)2	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,5,6]HH)(N[6]C[5,6]C)(H)2{2|C<3>,3|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]N[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.0640	0.000	1	109.1570	0.017	2	109.2033	0.179	19	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(N[6]C[5,6]C)(H)2	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,5,6]HH)(N[6]C[5,6]C)(H)2{2|C<4>,3|C<3>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]N[6]HH)(H)2{1|N<2>,2|C<4>,5|C<3>}	H(C[6]C[6]N[6]H)	109.2500	0.000	1	109.1570	0.017	2	109.2033	0.179	19	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(N[6]C[5,6]H)(H)2	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,5,6]HH)(N[6]C[5,6]H)(H)2{2|C<3>,3|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]N[6]HH)(H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2410	0.636	4	109.2410	0.405	4	109.2033	0.179	19	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,6|C<4>}	H(C[6]C[6]N[6]H)	109.3910	0.099	3	109.3910	0.010	3	109.2033	0.179	19	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,2|N<3>,5|C<3>}	H(C[6]C[6]N[6]H)	108.8585	0.069	2	108.9508	0.036	6	109.2033	0.179	19	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>,4|C<3>}	H(C[6]C[6]N[6]H)	109.1910	0.013	2	108.9508	0.036	6	109.2033	0.179	19	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	H(C[6]C[6]N[6]H)	108.8030	0.010	2	108.9508	0.036	6	109.2033	0.179	19	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(N[6]C[6]H)(H)2	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,5,6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]N[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.9480	0.016	2	109.9480	0.000	2	109.2033	0.179	19	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(N[6]C[6]S)(H)2	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,5,6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,2|N<3>,3|C<3>}	H(C[6]C[6]N[6]H)	108.9055	0.011	2	108.9055	0.000	2	109.2033	0.179	19	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(N[6]C[5,6,6]S)(H)2	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6,6]HH)(N[6]C[5,6,6]S)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]N[6]HH)(H)2{1|S<4>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	110.9670	1.083	2	110.9670	1.174	2	109.3697	0.734	28	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]C)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	108.4065	0.013	2	108.4065	0.000	2	109.3697	0.734	28	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]C)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.7118	0.155	6	109.3154	1.274	8	109.3697	0.734	28	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]C)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]C)(H)2{2|C<4>,3|C<3>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	111.1260	0.233	2	109.3154	1.274	8	109.3697	0.734	28	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]S)(H)2	C[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]S)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]N[6]HH)(H)2{1|S<4>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]N[6]H)	109.4412	0.065	4	109.4412	0.004	4	109.3697	0.734	28	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2{2|H<1>,3|C<3>,4|C<4>}	H(C[6]C[6]N[6]H)	109.3340	0.047	2	109.3203	0.002	3	109.3697	0.734	28	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2{2|H<1>,3|C<3>,4|C<4>}	H(C[6]C[6]N[6]H)	109.2930	0.000	1	109.3203	0.002	3	109.3697	0.734	28	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]N[6]HH)(H)2{1|H<1>,2|O<2>,3|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	108.7595	0.015	2	108.9596	0.035	5	109.3697	0.734	28	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>,4|C<3>}	H(C[6]C[6]N[6]H)	109.0930	0.047	3	108.9596	0.035	5	109.3697	0.734	28	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(N[6]C[6]S)(H)2	C[6](C[5,6,6]C[5,6]2C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6]S)(H)2{1|C<3>,3|C<4>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]N[6]HH)(H)2{1|S<4>,2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	110.2375	0.008	2	109.6397	0.476	4	109.3697	0.734	28	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(N[6]C[6]S)(H)2	C[6](C[5,6,6]C[5,6]2C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]N[6]HH)(H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.0420	0.014	2	109.6397	0.476	4	109.3697	0.734	28	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[5,6]S)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[5,6]S)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2{1|S<4>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4810	0.006	2	109.4810	0.000	2	109.5219	0.305	120	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[5,6]S)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[5,6]S)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(H)2{1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.8815	0.015	2	108.8815	0.000	2	109.5219	0.305	120	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6,6]C)(H)2	C[6](C[5,6]C[5,6,6]C[5,6a]O)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5,6a]O)(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,4|C<3>}	H(C[6]C[6]N[6]H)	109.6895	0.070	2	109.6895	0.005	2	109.5219	0.305	120	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6,6a]S)(H)2	C[6](C[5,6]C[5,6,6a]C[6a]N[5])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6,6a]S)(H)2{1|N<3>,3|C<3>}	C[6](C[5,6]C[5,6,6a]C[6a]N[5])(C[6]N[6]HH)(H)2{1|O<2>,1|S<4>,5|C<3>}	H(C[6]C[6]N[6]H)	108.5425	0.005	2	108.5425	0.000	2	109.5219	0.305	120	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6,6a]S)(H)2	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6,6a]S)(H)2{4|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,5|C<3>}	H(C[6]C[6]N[6]H)	109.5400	0.040	2	109.5400	0.002	2	109.5219	0.305	120	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	109.6787	0.091	3	109.6680	0.006	4	109.5219	0.305	120	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.6360	0.000	1	109.6680	0.006	4	109.5219	0.305	120	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7320	0.013	2	109.8062	0.005	5	109.5219	0.305	120	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.8400	0.018	2	109.8062	0.005	5	109.5219	0.305	120	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|N<2>}	H(C[6]C[6]N[6]H)	109.8870	0.000	1	109.8062	0.005	5	109.5219	0.305	120	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.8710	0.018	2	109.8710	0.000	2	109.5219	0.305	120	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.9110	0.008	2	109.7825	0.709	4	109.5219	0.305	120	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]N[6]H)	109.6540	1.435	2	109.7825	0.709	4	109.5219	0.305	120	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	H(C[6]C[6]N[6]H)	109.5670	0.014	2	109.5670	0.000	2	109.5219	0.305	120	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6440	0.000	1	109.5783	0.005	7	109.5219	0.305	120	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5343	0.053	4	109.5783	0.005	7	109.5219	0.305	120	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6335	0.039	2	109.5783	0.005	7	109.5219	0.305	120	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.4410	0.046	7	108.9583	0.861	15	109.5219	0.305	120	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	108.5360	1.133	8	108.9583	0.861	15	109.5219	0.305	120	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.5500	0.007	2	109.5500	0.000	2	109.5219	0.305	120	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3845	0.005	2	109.3845	0.000	2	109.5219	0.305	120	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	109.4005	0.009	2	109.5424	0.056	36	109.5219	0.305	120	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<2>,2|C<4>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	109.8725	0.036	2	109.5424	0.056	36	109.5219	0.305	120	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	108.8675	0.009	2	109.5424	0.056	36	109.5219	0.305	120	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.6121	0.134	22	109.5424	0.056	36	109.5219	0.305	120	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	109.2978	0.087	4	109.5424	0.056	36	109.5219	0.305	120	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.6465	0.068	4	109.5424	0.056	36	109.5219	0.305	120	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]H)(H)2	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|N<2>,3|C<3>}	H(C[6]C[6]N[6]H)	109.9515	0.035	2	109.9515	0.001	2	109.5219	0.305	120	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]P[6])(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]P[6])(H)2{1|C<4>,1|N<3>,2|H<1>,2|N<2>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{1|P<4>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.6268	0.258	6	109.6268	0.067	6	109.5219	0.305	120	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,1|S<4>,4|C<4>}	H(C[6]C[6]N[6]H)	109.4935	0.022	2	109.9817	0.147	6	109.5219	0.305	120	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	110.2258	0.082	4	109.9817	0.147	6	109.5219	0.305	120	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	110.1860	0.049	2	110.1860	0.002	2	109.5219	0.305	120	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]HH)(H)2{1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.0685	0.392	4	110.0685	0.154	4	109.5219	0.305	120	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.8425	0.033	2	109.8750	0.005	4	109.5219	0.305	120	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2{1|N<3>,1|S<4>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.9075	0.097	2	109.8750	0.005	4	109.5219	0.305	120	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(H)2{1|H<1>,2|S<4>,3|C<4>}	H(C[6]C[6]N[6]H)	108.8350	0.028	2	108.8350	0.001	2	109.5219	0.305	120	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|N<3>,4|C<3>}	H(C[6]C[6]N[6]H)	109.7953	0.093	3	109.7953	0.009	3	109.5219	0.305	120	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,4|C<4>}	H(C[6]C[6]N[6]H)	108.5380	1.578	2	108.5380	2.491	2	109.5219	0.305	120	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]N[6]HH)(H)2{1|N<2>,1|N<3>,4|C<4>}	H(C[6]C[6]N[6]H)	109.3055	0.033	2	109.3055	0.001	2	109.6632	0.535	112	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	110.0087	0.056	4	109.9728	0.007	6	109.6632	0.535	112	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,1|O<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.9010	0.106	2	109.9728	0.007	6	109.6632	0.535	112	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.1540	0.031	2	109.1540	0.001	2	109.6632	0.535	112	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]N[6]H)	108.8940	0.000	1	108.8940	0.000	1	109.6632	0.535	112	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6]N[6]H)	109.6395	0.132	2	109.6395	0.017	2	109.6632	0.535	112	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6,6]S)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]S)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.1165	0.062	4	110.1165	0.004	4	109.6632	0.535	112	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6]N[6]H)	109.3290	0.064	4	110.3943	2.730	6	109.6632	0.535	112	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	112.5250	0.129	2	110.3943	2.730	6	109.6632	0.535	112	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]N[6]HH)(H)2{2|O<2>,5|C<4>}	H(C[6]C[6]N[6]H)	110.2160	0.062	2	110.2160	0.004	2	109.6632	0.535	112	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	C[6](C[6,6]C[5a,6]C[6]N[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6,6]C[5a,6]C[6]N[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4718	0.059	4	109.5347	0.016	18	109.6632	0.535	112	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	C[6](C[6,6]C[5a,6]C[6]N[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[5a,6]C[6]N[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5527	0.138	14	109.5347	0.016	18	109.6632	0.535	112	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]N[6]H)	110.9215	0.697	2	109.4622	0.616	17	109.6632	0.535	112	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4932	0.943	5	109.4622	0.616	17	109.6632	0.535	112	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	108.6750	0.025	2	109.4622	0.616	17	109.6632	0.535	112	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.2749	0.066	8	109.4622	0.616	17	109.6632	0.535	112	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7422	0.072	4	109.7422	0.005	4	109.6632	0.535	112	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]N[6]HH)(H)2{2|C<4>,4|C<3>}	H(C[6]C[6]N[6]H)	109.6583	0.125	6	109.6583	0.016	6	109.6632	0.535	112	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6]2O[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5323	0.028	3	109.5323	0.001	3	109.6632	0.535	112	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6]3)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6]3)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6]N[6]H)	109.5735	0.219	4	109.5735	0.048	4	109.6632	0.535	112	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2650	0.040	2	109.2650	0.002	2	109.6632	0.535	112	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(H)2{1|N<2>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6]2O[6])(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	109.7955	0.013	2	109.7955	0.000	2	109.6632	0.535	112	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(H)2	C[6](C[6,6]C[6]2S[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(H)2{1|N<2>,1|S<2>,2|C<4>}	C[6](C[6,6]C[6]2S[6])(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	109.4765	1.759	8	109.4765	3.093	8	109.6632	0.535	112	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	110.7095	0.474	2	110.7095	0.225	2	109.6632	0.535	112	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.0090	0.000	1	110.0090	0.000	1	109.6632	0.535	112	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.8765	0.015	2	109.8017	0.008	4	109.6632	0.535	112	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7270	0.025	2	109.8017	0.008	4	109.6632	0.535	112	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,3|C<4>}	H(C[6]C[6]N[6]H)	109.6197	0.047	4	109.6197	0.002	4	109.6632	0.535	112	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.4095	0.047	2	109.6140	0.057	4	109.6632	0.535	112	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2{1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]HH)(H)2{1|S<4>,4|C<3>}	H(C[6]C[6]N[6]H)	109.8185	0.040	2	109.6140	0.057	4	109.6632	0.535	112	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2	C[6](C[6,6]C[6]3)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6]3)(C[6]N[6]HH)(H)2{1|N<3>,1|S<4>,2|C<4>,6|H<1>}	H(C[6]C[6]N[6]H)	110.0150	0.420	4	110.0150	0.176	4	109.6632	0.535	112	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]S[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]S[6]C)(H)2{1|H<1>,2|C<4>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.0570	0.139	4	109.0570	0.019	4	109.6632	0.535	112	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(N[6]C[6]S)(H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]HH)(Br)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]HH)(Br)(H){1|C<4>,1|S<4>,4|C<3>}	H(C[6]C[6]N[6]H)	110.5385	0.039	4	110.5385	0.001	4	110.5385	0.001	4	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:F-1:	C[6]-4:	C[6](C[6]C[6]ClF)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(Cl)(F)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]ClF)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(Cl)(F){1|Cl<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.5325	0.005	2	109.5325	0.000	2	109.5325	0.000	2	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(Cl)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]ClH)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6]H)	110.2360	0.004	2	110.2360	0.000	2	110.2360	0.000	2	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]FF)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)2{1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.6220	0.049	2	109.6220	0.002	2	108.5627	2.607	4	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(C[6]O[6]HH)(F)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]FF)(N[6]C[6]H)(H)2{1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]O[6]HH)(F)2{1|C<3>,1|H<1>}	H(C[6]C[6]N[6]H)	107.5035	1.825	2	107.5035	3.331	2	108.5627	2.607	4	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]FH)(C[6]N[6]HH)(F)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]FH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|F<1>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]N[6]HH)(F)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6663	0.057	3	109.6663	0.003	3	109.5092	0.076	9	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HO)(C[6]N[6]HH)(F)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]FH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(F)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6322	0.019	4	109.6322	0.000	4	109.5092	0.076	9	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(N[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]FH)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)(H){1|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.0275	0.015	2	109.0275	0.000	2	109.5092	0.076	9	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]B[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]B[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.1080	0.263	2	108.8070	6.120	4	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]B[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]B[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.5060	4.234	2	108.8070	6.120	4	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6570	0.144	7	109.6433	0.030	14	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,2|N<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7317	0.069	3	109.6433	0.030	14	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5530	0.257	4	109.6433	0.030	14	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.4270	0.000	1	109.4270	0.000	1	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4749	0.218	15	109.7923	0.672	96	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6736	0.162	15	109.7923	0.672	96	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	111.1790	1.177	4	109.7923	0.672	96	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7080	0.104	8	109.7923	0.672	96	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.4017	1.608	8	109.7923	0.672	96	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|N<2>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4231	0.290	8	109.7923	0.672	96	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5591	0.029	7	109.7923	0.672	96	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4498	0.157	16	109.7923	0.672	96	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.0390	0.094	3	109.7923	0.672	96	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.5522	1.172	12	109.7923	0.672	96	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2{3|C<4>}	H(C[6]C[6]N[6]H)	109.9740	0.000	1	109.9740	0.000	1	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	110.3255	1.063	2	110.3255	1.130	2	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]Al)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]Al)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Al<4>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.1090	0.078	6	109.1090	0.006	6	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]Al)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]Al)(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[6]HH)2(H)2{1|Al<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.0395	0.055	4	109.0395	0.003	4	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]B)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]B)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4945	0.049	4	109.4945	0.002	4	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[5,6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[5,6]CH)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	108.9310	0.926	2	108.9310	0.858	2	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	108.9910	0.047	2	108.7617	0.159	3	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	108.3030	0.000	1	108.7617	0.159	3	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2{1|Fe<10>,2|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	109.3880	0.125	8	109.3529	0.100	50	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2{1|Ti<12>,2|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	109.2845	0.093	8	109.3529	0.100	50	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2{1|V<10>,2|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	109.3276	0.594	14	109.3529	0.100	50	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2{1|V<11>,2|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	109.3694	0.053	16	109.3529	0.100	50	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2{1|V<9>,2|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	109.4423	0.098	4	109.3529	0.100	50	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[5a]C[6]C)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5a]C[6]C)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4440	0.212	4	109.4440	0.045	4	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5322	0.066	12	109.4345	0.048	42	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|S<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5000	0.207	12	109.4345	0.048	42	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.0510	0.148	7	109.4345	0.048	42	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4966	0.094	7	109.4345	0.048	42	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5072	0.048	4	109.4345	0.048	42	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[5a]C[6]N)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5a]C[6]N)(C[6]N[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5053	0.157	4	109.5053	0.025	4	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.2535	0.021	2	109.6883	1.035	10	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.0277	0.174	4	109.6883	1.035	10	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6]N[6]H)	111.2205	0.043	2	109.6883	1.035	10	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.9120	1.517	2	109.6883	1.035	10	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	108.9230	0.000	1	109.5104	0.060	8	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5943	0.069	7	109.5104	0.060	8	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>}	H(C[6]C[6]N[6]H)	109.4750	0.000	1	109.4750	0.000	1	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CF)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|F<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CF)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5387	0.070	4	109.5869	0.010	7	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CF)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|F<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CF)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6510	0.107	3	109.5869	0.010	7	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5957	0.110	8	109.6911	0.424	161	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3820	0.013	2	109.6911	0.424	161	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.4290	0.025	2	109.6911	0.424	161	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.4635	0.896	2	109.6911	0.424	161	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<2>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.6445	0.006	2	109.6911	0.424	161	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6]H)	109.6390	0.042	2	109.6911	0.424	161	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7638	0.735	112	109.6911	0.424	161	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.6196	0.326	5	109.6911	0.424	161	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4903	0.422	26	109.6911	0.424	161	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CN)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<3>,1|N<3>,2|C<4>}	C[6](C[6]C[6]CN)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.5285	0.032	2	109.4898	0.002	13	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CN)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4698	0.025	4	109.4898	0.002	13	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CN)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4903	0.050	7	109.4898	0.002	13	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.4673	0.123	20	109.3555	0.131	24	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5870	0.000	1	109.3555	0.131	24	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	108.5333	0.449	3	109.3555	0.131	24	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.1700	0.018	2	109.1700	0.000	2	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]FF)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,2|F<1>}	C[6](C[6]C[6]FF)(C[6]N[6]HH)(H)2{2|C<4>,2|F<1>}	H(C[6]C[6]N[6]H)	109.4560	0.000	1	109.4560	0.000	1	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3605	0.048	4	109.5702	0.558	1316	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.2325	0.016	2	109.5702	0.558	1316	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6]H)	109.5650	0.130	4	109.5702	0.558	1316	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5433	0.251	21	109.5702	0.558	1316	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.2570	0.027	2	109.5702	0.558	1316	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	110.0300	4.298	2	109.5702	0.558	1316	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]N[6]H)	109.3055	0.005	2	109.5702	0.558	1316	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.0640	0.038	2	109.5702	0.558	1316	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.7190	1.718	2	109.5702	0.558	1316	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>}	H(C[6]C[6]N[6]H)	109.2315	0.015	2	109.5702	0.558	1316	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	111.8100	0.187	2	109.5702	0.558	1316	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6]H)	109.1580	0.018	2	109.5702	0.558	1316	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6]H)	109.1395	0.030	2	109.5702	0.558	1316	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6]H)	109.0840	0.000	1	109.5702	0.558	1316	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.6275	0.035	2	109.5702	0.558	1316	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|I<1>}	H(C[6]C[6]N[6]H)	109.0835	0.013	2	109.5702	0.558	1316	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|S<2>}	H(C[6]C[6]N[6]H)	109.1867	0.091	9	109.5702	0.558	1316	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.1340	0.052	2	109.5702	0.558	1316	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.2790	0.016	4	109.5702	0.558	1316	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	108.7867	0.318	4	109.5702	0.558	1316	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.5735	0.023	2	109.5702	0.558	1316	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.7510	0.061	2	109.5702	0.558	1316	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6]H)	108.7855	0.013	2	109.5702	0.558	1316	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	108.7405	0.032	2	109.5702	0.558	1316	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.0222	0.138	4	109.5702	0.558	1316	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<2>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8744	0.075	20	109.5702	0.558	1316	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6]H)	109.4825	0.006	2	109.5702	0.558	1316	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6339	0.762	757	109.5702	0.558	1316	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.2258	0.449	6	109.5702	0.558	1316	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Cl<1>,1|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.7380	0.018	2	109.5702	0.558	1316	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.6277	0.102	4	109.5702	0.558	1316	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4585	0.690	406	109.5702	0.558	1316	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|Si<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2160	0.018	2	109.5702	0.558	1316	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6]H)	109.5070	0.033	2	109.5702	0.558	1316	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.1727	1.322	21	109.5702	0.558	1316	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.3975	0.022	2	109.5702	0.558	1316	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4517	0.352	7	109.5702	0.558	1316	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6582	0.054	4	109.4607	0.119	67	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6546	0.126	22	109.4607	0.119	67	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]N[6]H)	108.0775	0.828	2	109.4607	0.119	67	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.2968	0.168	6	109.4607	0.119	67	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4210	0.229	33	109.4607	0.119	67	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|F<1>,1|H<1>}	H(C[6]C[6]N[6]H)	109.6388	0.025	4	109.5583	0.133	68	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6099	0.160	31	109.5583	0.133	68	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|H<1>,1|I<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.6227	0.530	4	109.5583	0.133	68	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5211	0.510	26	109.5583	0.133	68	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]N[6]H)	109.0015	0.122	2	109.5583	0.133	68	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4620	0.000	1	109.5583	0.133	68	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]N[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]N[6]HH)(H)2{1|In<4>,1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4893	0.097	7	109.4893	0.009	7	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]OO)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]OO)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.8355	0.306	4	110.8355	0.094	4	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6a]C[6]C)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2195	0.005	2	109.2195	0.000	2	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6]N[6]H)	109.2080	0.198	2	109.5077	0.126	38	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4070	0.186	4	109.5077	0.126	38	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6257	0.136	8	109.5077	0.126	38	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.2995	0.016	2	109.5077	0.126	38	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]N[6]H)	110.6830	0.313	2	109.5077	0.126	38	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4909	0.154	16	109.5077	0.126	38	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2795	0.037	2	109.5077	0.126	38	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	108.9325	0.015	2	109.5077	0.126	38	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.5910	0.205	10	109.5057	0.034	19	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4109	0.103	9	109.5057	0.034	19	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6a]O[6]C)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[6a]O[6]C)(C[6]N[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]N[6]H)	109.3475	0.028	2	109.3475	0.001	2	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[5a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4637	0.113	15	109.4637	0.013	15	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.3050	0.314	2	109.3050	0.099	2	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]N[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.6710	0.498	2	109.6710	0.248	2	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|O<2>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{2|C<4>}	H(C[6]C[6]N[6]H)	109.8890	0.000	1	109.8890	0.000	1	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|S<1>,1|S<2>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	108.9540	0.023	6	108.9540	0.001	6	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	109.3845	0.240	16	109.5217	0.573	387	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.5545	0.102	11	109.5217	0.573	387	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|Pd<4>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.4695	0.053	2	109.5217	0.573	387	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	108.0750	0.041	2	109.5217	0.573	387	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)2(H)2{3|C<4>}	H(C[6]C[6]N[6]H)	109.4868	0.406	19	109.5217	0.573	387	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.6919	0.386	14	109.5217	0.573	387	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	109.4971	1.602	50	109.5217	0.573	387	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.4933	0.176	4	109.5217	0.573	387	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	110.7789	0.737	8	109.5217	0.573	387	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|Cr<7>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.3270	0.000	1	109.5217	0.573	387	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|Cr<8>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.7455	0.046	2	109.5217	0.573	387	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|Ga<4>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.5440	0.010	2	109.5217	0.573	387	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|Ir<4>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.5305	0.009	2	109.5217	0.573	387	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|Ni<5>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.7540	0.035	4	109.5217	0.573	387	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|Ni<6>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.5590	0.020	4	109.5217	0.573	387	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|Re<6>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.8105	0.040	2	109.5217	0.573	387	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|Zn<3>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.8130	0.061	2	109.5217	0.573	387	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|Zn<4>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.5703	0.116	4	109.5217	0.573	387	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|Ir<6>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.6537	0.049	3	109.5217	0.573	387	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.4315	0.061	4	109.5217	0.573	387	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.5281	0.345	12	109.5217	0.573	387	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	109.3785	0.026	2	109.5217	0.573	387	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.2153	0.421	39	109.5217	0.573	387	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{3|C<3>}	H(C[6]C[6]N[6]H)	109.1490	0.028	2	109.5217	0.573	387	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.4778	0.279	60	109.5217	0.573	387	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,1|S<1>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{3|C<3>}	H(C[6]C[6]N[6]H)	109.7915	0.018	2	109.5217	0.573	387	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|C<2>,2|C<4>}	H(C[6]C[6]N[6]H)	109.7413	0.017	3	109.5217	0.573	387	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	109.3218	0.026	4	109.5217	0.573	387	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.5662	0.211	22	109.5217	0.573	387	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.7228	0.076	5	109.5217	0.573	387	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|Pd<4>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.7350	0.010	2	109.5217	0.573	387	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)2(H)2{3|C<4>}	H(C[6]C[6]N[6]H)	109.4733	0.008	6	109.5217	0.573	387	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|Ni<5>,3|C<4>}	H(C[6]C[6]N[6]H)	108.6480	3.482	4	109.5217	0.573	387	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|Rh<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.5916	0.179	23	109.5217	0.573	387	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|Rh<6>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.6568	0.062	5	109.5217	0.573	387	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|Ru<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.7153	0.111	12	109.5217	0.573	387	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[6]HH)2(H)2{1|Al<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.4603	0.089	3	109.5217	0.573	387	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[6]HH)2(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.5990	0.426	18	109.5217	0.573	387	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[6]HH)2(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.8517	0.798	7	109.5217	0.573	387	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]Co)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]Co)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|Co<4>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6]H)	109.4015	0.006	2	109.4015	0.000	2	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]Cr)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]Cr)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|Cr<7>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.5010	0.024	2	109.3825	0.019	4	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]Cr)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]Cr)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|Cr<8>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.2640	0.033	2	109.3825	0.019	4	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]Fe)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]Fe)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|Fe<6>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6]H)	109.0808	0.152	11	109.0808	0.023	11	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]N[6]H)	109.0062	0.112	4	109.0062	0.012	4	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.6266	0.115	5	109.5933	0.012	7	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.5100	0.042	2	109.5933	0.012	7	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6560	0.185	36	109.6560	0.034	36	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6060	0.049	2	108.9786	0.067	18	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.9002	0.128	16	108.9786	0.067	18	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.1025	0.005	2	109.5577	1.663	97	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|F<1>,2|H<1>}	H(C[6]C[6]N[6]H)	108.9180	0.007	2	109.5577	1.663	97	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	108.7940	0.018	2	109.5577	1.663	97	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	108.5725	1.365	2	109.5577	1.663	97	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6]H)	109.2865	0.027	4	109.5577	1.663	97	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2791	0.146	27	109.5577	1.663	97	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	111.0987	1.160	4	109.5577	1.663	97	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|F<1>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	110.7952	3.158	10	109.5577	1.663	97	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4448	1.006	30	109.5577	1.663	97	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|F<1>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8840	0.017	2	109.5577	1.663	97	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6415	0.019	2	109.5577	1.663	97	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3894	0.435	10	109.5577	1.663	97	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2706	0.349	8	109.2706	0.122	8	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3470	0.878	3	109.3470	0.771	3	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[5a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7323	0.102	4	109.7323	0.010	4	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]CC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|C<4>}	C[6](C[6]N[6]CC)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7864	0.127	8	109.7864	0.016	8	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6937	0.051	4	109.6937	0.003	4	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(C[6]O[6]CC)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]N[6]HH)(C[6]O[6]CC)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]N[6]H)	110.5250	0.413	2	110.5250	0.171	2	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<2>,1|S<2>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]N[6]H)	109.0335	0.009	2	109.1704	0.125	8	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<3>,1|S<2>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]N[6]H)	109.2160	0.407	6	109.1704	0.125	8	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3934	0.461	24	109.6212	1.072	235	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]N[6]H)	109.6815	0.015	2	109.6212	1.072	235	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	109.9498	0.217	13	109.6212	1.072	235	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7879	0.332	65	109.6212	1.072	235	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|Co<4>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6]H)	109.6035	0.045	2	109.6212	1.072	235	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|Fe<6>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6]H)	109.9466	0.106	10	109.6212	1.072	235	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|Zn<4>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6]H)	109.6120	0.024	2	109.6212	1.072	235	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.9645	0.049	2	109.6212	1.072	235	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<4>,3|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|Cu<5>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	106.7685	0.460	2	109.6212	1.072	235	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<4>,3|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|Ni<6>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.5995	0.013	2	109.6212	1.072	235	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	109.4238	1.687	51	109.6212	1.072	235	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6694	1.944	17	109.6212	1.072	235	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	109.8850	0.011	2	109.6212	1.072	235	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	110.4975	0.394	2	109.6212	1.072	235	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<3>,1|S<2>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6807	0.491	27	109.6212	1.072	235	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2877	0.490	7	109.6212	1.072	235	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	109.5160	0.444	4	109.6212	1.072	235	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{2|H<1>,2|N<2>}	C[6](C[6]N[6]HH)2(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]N[6]H)	109.8440	0.000	1	109.6212	1.072	235	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]Ir)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]Ir)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ir<6>,1|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6360	0.791	4	109.6360	0.626	4	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]Ir)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]Ir)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|Ir<4>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.5875	0.009	2	109.5875	0.000	2	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]Mo)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]Mo)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Mo<6>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.9340	0.020	4	108.9340	0.000	4	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	109.4825	0.077	2	109.7330	0.125	50	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3500	0.051	2	109.7330	0.125	50	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5944	0.287	14	109.7330	0.125	50	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7830	0.332	29	109.7330	0.125	50	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.3190	0.301	3	109.7330	0.125	50	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|S<1>,1|S<2>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2{1|C<3>,1|N<3>}	H(C[6]C[6]N[6]H)	108.8815	0.026	2	108.8815	0.001	2	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|C<3>,1|N<3>}	H(C[6]C[6]N[6]H)	109.9105	0.156	4	109.9105	0.024	4	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]Ni)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]Ni)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|Ni<5>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	108.7165	0.061	4	108.8980	0.039	8	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]Ni)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]Ni)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|Ni<6>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.0795	0.020	4	108.8980	0.039	8	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3530	0.142	7	109.3530	0.020	7	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5404	0.188	13	109.5404	0.035	13	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|P<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4240	0.112	4	109.5769	0.416	119	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4670	0.534	100	109.5769	0.416	119	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|P<5>,2|H<1>}	H(C[6]C[6]N[6]H)	110.8448	0.178	11	109.5769	0.416	119	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|P<3>,2|H<1>}	H(C[6]C[6]N[6]H)	108.9895	0.228	4	109.5769	0.416	119	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|C<2>,1|C<3>,1|P<3>}	H(C[6]C[6]N[6]H)	110.4922	1.198	4	110.3176	1.229	5	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|C<3>,1|C<4>,1|P<4>}	H(C[6]C[6]N[6]H)	109.6190	0.000	1	110.3176	1.229	5	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]Pd)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]Pd)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|Pd<4>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.8190	0.013	2	109.4148	0.150	6	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]Pd)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]Pd)(H)2{1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|Pd<4>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.4665	0.009	2	109.4148	0.150	6	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]Pd)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]Pd)(H)2{1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|Pd<4>,2|C<3>}	H(C[6]C[6]N[6]H)	108.9590	0.007	2	109.4148	0.150	6	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]Re)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]Re)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Re<6>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2535	0.114	11	109.2535	0.013	11	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]Re)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]Re)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{2|Re<6>,1|C<3>}	H(C[6]C[6]N[6]H)	109.2345	0.122	10	109.2030	0.018	12	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]Re)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]Re)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|Re<6>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.0455	0.015	2	109.2030	0.018	12	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]Rh)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]Rh)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Rh<8>,1|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	108.0480	0.014	2	108.0480	0.000	2	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[5,6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>}	H(C[6]C[6]N[6]H)	110.4950	1.790	2	110.4950	3.206	2	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,1|S<4>,3|C<3>}	H(C[6]C[6]N[6]H)	109.3480	0.038	2	109.3480	0.001	2	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>}	H(C[6]C[6]N[6]H)	109.6220	0.000	1	109.6220	0.000	1	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]BrH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4250	0.010	2	109.4250	0.000	2	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[6]C[6]N[6]H)	109.6510	0.300	4	109.6762	0.084	29	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8605	0.068	10	109.6762	0.084	29	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2045	0.020	4	109.6762	0.084	29	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6]H)	109.9190	0.000	1	109.6762	0.084	29	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>}	H(C[6]C[6]N[6]H)	109.7340	0.059	2	109.6762	0.084	29	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8688	0.160	4	109.6762	0.084	29	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4303	0.300	4	109.6762	0.084	29	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4860	0.000	1	109.9693	0.176	3	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]N[6]H)	110.2110	0.033	2	109.9693	0.176	3	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]FH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|F<1>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4120	0.000	1	109.4120	0.000	1	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6]H)	109.8980	0.011	2	110.0717	2.018	43	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<2>,1|C<4>,1|O<2>,1|S<4>}	H(C[6]C[6]N[6]H)	109.6045	0.006	2	110.0717	2.018	43	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	H(C[6]C[6]N[6]H)	109.8910	1.523	2	110.0717	2.018	43	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6]H)	109.4565	0.046	2	110.0717	2.018	43	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	H(C[6]C[6]N[6]H)	111.4410	0.526	2	110.0717	2.018	43	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.1764	1.720	26	110.0717	2.018	43	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>}	H(C[6]C[6]N[6]H)	109.7668	0.045	4	110.0717	2.018	43	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6157	0.961	3	110.0717	2.018	43	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HI)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|I<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HI)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	111.1225	0.053	2	111.1225	0.003	2	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6]H)	109.9915	0.032	4	109.9869	0.021	9	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]N[6]H)	109.9832	0.205	5	109.9869	0.021	9	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]N[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8208	0.087	4	109.8208	0.008	4	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[6a]2C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6a]2C[6])(C[6]N[6]HH)(H)2{1|S<4>,6|C<3>}	H(C[6]C[6]N[6]H)	110.2505	0.016	2	110.2505	0.000	2	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|C<2>,2|C<3>}	H(C[6]C[6]N[6]H)	109.8165	0.933	2	109.8165	0.870	2	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.9408	0.009	4	109.6280	0.176	10	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.1418	0.034	4	109.6280	0.176	10	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,3|C<3>}	H(C[6]C[6]N[6]H)	109.9750	0.051	2	109.6280	0.176	10	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|C<4>,2|S<4>}	H(C[6]C[6]N[6]H)	109.3520	0.067	4	109.3520	0.005	4	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]Si)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]Si)(H)2{1|C<3>,1|O<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Si<5>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6]H)	109.5305	0.025	2	109.5305	0.001	2	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]Zn)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]Zn)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Zn<5>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2715	1.236	4	109.0860	0.821	7	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]Zn)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]Zn)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Zn<6>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.8387	0.099	3	109.0860	0.821	7	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]Zn)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]Zn)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|Zn<4>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6]H)	109.3520	0.033	2	109.2354	0.092	8	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]Zn)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]Zn)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|Zn<3>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	108.7515	0.037	2	109.2354	0.092	8	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]Zn)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]Zn)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|Zn<4>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.4190	0.068	4	109.2354	0.092	8	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]N[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]N[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6]H)	109.9420	0.000	1	109.9420	0.000	1	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]P[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]P[6]C)(H)2{1|O<2>,2|H<1>,2|N<2>}	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|P<4>}	H(C[6]C[6]N[6]H)	109.4240	0.014	2	109.4240	0.000	2	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]P[6]C)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]P[6]C)(H)2{1|N<3>,2|H<1>,2|N<2>}	C[6](C[6]N[6]HH)2(H)2{1|P<4>,2|C<4>}	H(C[6]C[6]N[6]H)	109.3719	0.272	15	109.3699	0.061	18	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]P[6]C)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]P[6]C)(H)2{1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|P<2>,2|C<4>}	H(C[6]C[6]N[6]H)	109.3603	0.036	3	109.3699	0.061	18	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]P[6]H)(H)2	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]P[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{1|H<1>,1|P<4>}	H(C[6]C[6]N[6]H)	109.6070	0.007	2	109.6570	0.004	4	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]P[6]H)(H)2	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]P[6]H)(H)2{1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{1|H<1>,1|P<4>}	H(C[6]C[6]N[6]H)	109.7070	0.024	2	109.6570	0.004	4	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]P[6]H)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]P[6]H)(H)2{1|O<1>,2|H<1>,2|N<3>}	C[6](C[6]N[6]HH)2(H)2{1|P<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4720	0.006	2	109.4720	0.000	2	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]S[6]C)(H)2	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]S[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,2|O<1>}	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6]H)	109.2660	0.040	2	109.2660	0.002	2	109.5659	0.559	3262	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[6]HI)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)(I)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HI)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)(I){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.9505	0.926	4	108.9505	0.857	4	109.0348	0.386	8	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[6]HI)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(C[6]O[6]CH)(H)(I)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HI)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]N[6]HH)(C[6]O[6]CH)(H)(I){1|C<3>,1|H<1>}	H(C[6]C[6]N[6]H)	109.1190	0.155	4	109.1190	0.024	4	109.0348	0.386	8	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6850	0.016	2	109.6850	0.000	2	109.4749	0.261	420	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<2>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5917	0.186	3	109.4427	0.089	12	109.4749	0.261	420	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5613	0.215	3	109.4427	0.089	12	109.4749	0.261	420	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6200	0.063	3	109.4427	0.089	12	109.4749	0.261	420	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.9977	0.090	3	109.4427	0.089	12	109.4749	0.261	420	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]2H)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2H)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	109.5663	0.086	3	109.5663	0.007	3	109.4749	0.261	420	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.9538	0.252	6	109.4508	0.183	18	109.4749	0.261	420	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6993	0.228	12	109.4508	0.183	18	109.4749	0.261	420	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5760	0.245	65	109.4379	0.226	162	109.4749	0.261	420	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3454	0.563	97	109.4379	0.226	162	109.4749	0.261	420	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CN)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CN)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2433	0.064	4	109.2433	0.004	4	109.4749	0.261	420	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CO)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7032	0.052	4	109.7032	0.003	4	109.4749	0.261	420	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6673	0.146	35	109.6180	0.279	121	109.4749	0.261	420	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	108.8955	0.480	2	109.6180	0.279	121	109.4749	0.261	420	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6146	0.615	84	109.6180	0.279	121	109.4749	0.261	420	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HV)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|V<7>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HV)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4188	0.120	4	109.4188	0.014	4	109.4749	0.261	420	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|O<1>,3|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	107.8045	2.416	2	107.8045	5.838	2	109.4749	0.261	420	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2399	0.443	60	109.2526	0.204	64	109.4749	0.261	420	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.9060	0.023	2	109.2526	0.204	64	109.4749	0.261	420	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.9775	0.025	2	109.2526	0.204	64	109.4749	0.261	420	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7376	0.079	7	109.8739	0.029	14	109.4749	0.261	420	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	110.0350	0.163	4	109.8739	0.029	14	109.4749	0.261	420	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9773	0.019	3	109.8739	0.029	14	109.4749	0.261	420	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4887	0.422	6	109.6581	0.226	8	109.4749	0.261	420	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]N[6]H)	110.1665	0.064	2	109.6581	0.226	8	109.4749	0.261	420	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]Zn)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]Zn)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Zn<4>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.2605	0.015	2	109.2605	0.000	2	109.4749	0.261	420	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(S[6]C[6]OO)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]S[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<1>}	C[6](C[6]N[6]HH)(S[6]C[6]OO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.4610	0.013	2	108.4610	0.000	2	108.4610	0.000	2	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6,6]HH)(N[6]C[6,6]H)(H)2	C[6](N[5,6,6]C[5,6,6]Ge[5,6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[5,6,6]HH)(N[6]C[6,6]H)(H)2{1|Ge<3>,1|C<3>,1|H<1>,2|C<4>}	C[6](N[5,6,6]C[5,6,6]Ge[5,6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|N<3>}	H(C[6]C[6]N[6]H)	109.9045	0.021	2	109.9045	0.000	2	109.9045	0.000	2	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(N[6]O[5,6]C)(H)2	C[6](N[5,6]In[5,5,6,6]O[5]C)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[5,6]HH)(N[6]O[5,6]C)(H)2{1|Ga<4>,1|In<5>,1|C<4>,1|O<2>}	C[6](N[5,6]In[5,5,6,6]O[5]C)(C[6]N[6]HH)(H)2{1|Ga<4>,1|N<4>,2|C<4>,2|O<3>}	H(C[6]C[6]N[6]H)	108.2470	0.849	4	108.2470	0.721	4	108.2470	0.721	4	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]AlC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Al<4>,1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6]AlC)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5447	0.025	4	109.5583	0.014	16	109.5366	0.115	128	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]AlC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Al<5>,2|C<4>,2|H<1>}	C[6](N[6]C[6]AlC)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6109	0.129	8	109.5583	0.014	16	109.5366	0.115	128	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]AlC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Al<7>,2|C<4>,2|H<1>}	C[6](N[6]C[6]AlC)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4668	0.111	4	109.5583	0.014	16	109.5366	0.115	128	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]BiC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Bi<5>,2|C<4>,2|H<1>}	C[6](N[6]C[6]BiC)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4762	0.125	27	109.4762	0.016	27	109.5366	0.115	128	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]CoC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Co<6>,1|O<1>,2|C<4>}	C[6](N[6]C[6]CoC)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.0240	0.000	1	109.0240	0.000	1	109.5366	0.115	128	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]CuC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Cu<4>,2|C<4>,2|H<1>}	C[6](N[6]C[6]CuC)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6225	0.159	4	109.6225	0.025	4	109.5366	0.115	128	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]CuH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Cu<4>,1|C<4>,3|H<1>}	C[6](N[6]C[6]CuH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7022	0.193	12	109.7022	0.037	12	109.5366	0.115	128	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Ni<6>,1|O<1>,2|C<4>}	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.0060	0.025	2	109.0060	0.001	2	109.5366	0.115	128	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]PdC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Pd<4>,2|C<4>,2|H<1>}	C[6](N[6]C[6]PdC)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7448	0.091	4	109.7448	0.008	4	109.5366	0.115	128	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]PtH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Pt<4>,1|C<4>,3|H<1>}	C[6](N[6]C[6]PtH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5150	0.011	4	109.5150	0.000	4	109.5366	0.115	128	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]SbC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Sb<4>,2|C<4>,2|H<1>}	C[6](N[6]C[6]SbC)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6066	0.081	8	109.4620	0.020	29	109.5366	0.115	128	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]SbC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Sb<5>,2|C<4>,2|H<1>}	C[6](N[6]C[6]SbC)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4069	0.122	21	109.4620	0.020	29	109.5366	0.115	128	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]ZnC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Zn<4>,2|C<4>,2|H<1>}	C[6](N[6]C[6]ZnC)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5184	0.103	7	109.5184	0.011	7	109.5366	0.115	128	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	C[6](N[6]C[6]CdH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|Cd<5>,1|C<4>,3|H<1>}	C[6](N[6]C[6]CdH)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.9917	0.130	4	108.9917	0.017	4	109.5366	0.115	128	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	C[6](N[6]C[6]CoC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|Co<6>,2|C<4>,2|H<1>}	C[6](N[6]C[6]CoC)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.7073	0.220	4	108.7073	0.049	4	109.5366	0.115	128	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	C[6](N[6]C[6]ZnH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|Zn<5>,1|C<4>,3|H<1>}	C[6](N[6]C[6]ZnH)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7885	0.041	4	109.7885	0.002	4	109.5366	0.115	128	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]Ni)(H)2	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]Ni)(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.5507	0.059	4	110.5507	0.003	4	109.5366	0.115	128	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	C[6](N[6]C[6]RhH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|Rh<5>,1|C<4>,3|H<1>}	C[6](N[6]C[6]RhH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.3143	0.148	4	110.3143	0.022	4	109.5366	0.115	128	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]O[6]C)(H)2	C[6](N[6]Ga[6]CO)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]O[6]C)(H)2{1|Ga<4>,1|C<4>,1|O<2>}	C[6](N[6]Ga[6]CO)(C[6]N[6]HH)(H)2{1|O<2>,3|C<4>}	H(C[6]C[6]N[6]H)	109.2315	0.016	2	109.2315	0.000	2	109.5366	0.115	128	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]P[6]HH)(N[6]C[6]C)(H)2	C[6](P[6]C[6a]C[6]Fe)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]P[6]HH)(N[6]C[6]C)(H)2{1|Fe<5>,1|C<3>,1|C<4>,2|H<1>}	C[6](P[6]C[6a]C[6]Fe)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.9537	0.354	41	108.9537	0.126	41	108.9537	0.126	41	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6]Ca)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6]Ca)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|Ca<6>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4092	0.203	61	109.4092	0.041	61	109.5631	1.095	125	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6]Li)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6]Li)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|Li<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3257	0.025	3	109.7876	3.004	44	109.5631	1.095	125	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6]Li)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6]Li)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|Li<4>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.8214	1.792	41	109.7876	3.004	44	109.5631	1.095	125	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6]Mo)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6]Mo)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|Mo<6>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.5385	0.149	20	109.5385	0.022	20	109.5631	1.095	125	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-3:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6]In)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6]In)(H)2{1|C<4>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2{1|In<6>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.6420	0.040	2	109.6420	0.002	2	109.6420	0.002	2	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6]O)(H)2	C[6](C[6]C[6]HN)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6]O)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]S[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]S[6]H)	109.1517	0.040	3	109.1517	0.002	3	109.8357	3.005	41	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6]O)(H)2	C[6](C[6]S[6]HH)2(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6]O)(H)2{1|C<2>,1|S<2>,3|H<1>}	C[6](C[6]S[6]HH)2(H)2{1|C<4>,1|O<1>}	H(C[6]C[6]S[6]H)	110.6783	0.698	8	110.3197	3.592	26	109.8357	3.005	41	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6]O)(H)2	C[6](C[6]S[6]HH)2(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6]O)(H)2{1|C<3>,1|S<2>,3|H<1>}	C[6](C[6]S[6]HH)2(H)2{1|C<4>,1|O<1>}	H(C[6]C[6]S[6]H)	110.8985	2.900	4	110.3197	3.592	26	109.8357	3.005	41	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6]O)(H)2	C[6](C[6]S[6]HH)2(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6]O)(H)2{1|C<3>,1|S<3>,2|H<1>}	C[6](C[6]S[6]HH)2(H)2{1|C<3>,2|O<1>}	H(C[6]C[6]S[6]H)	108.9597	0.113	4	110.3197	3.592	26	109.8357	3.005	41	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6]O)(H)2	C[6](C[6]S[6]HH)2(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6]O)(H)2{1|C<4>,1|S<3>,3|H<1>}	C[6](C[6]S[6]HH)2(H)2{1|C<4>,2|O<1>}	H(C[6]C[6]S[6]H)	111.1051	2.510	7	110.3197	3.592	26	109.8357	3.005	41	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6]O)(H)2	C[6](C[6]S[6]HH)2(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6]O)(H)2{1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]S[6]HH)2(H)2{1|C<4>,1|O<1>}	H(C[6]C[6]S[6]H)	108.5723	0.219	3	110.3197	3.592	26	109.8357	3.005	41	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6]Pd)(H)2	C[6](C[6]S[6]HH)2(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6]Pd)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]S[6]HH)2(H)2{1|Pd<4>,1|C<3>}	H(C[6]C[6]S[6]H)	109.0737	0.066	4	109.0737	0.004	4	109.8357	3.005	41	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6]Rh)(H)2	C[6](C[6]S[6]HH)2(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6]Rh)(H)2{1|S<2>,4|H<1>}	C[6](C[6]S[6]HH)2(H)2{1|Rh<8>,1|C<4>}	H(C[6]C[6]S[6]H)	108.2865	0.687	4	108.9004	1.935	8	109.8357	3.005	41	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6]Rh)(H)2	C[6](C[6]S[6]HH)2(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6]Rh)(H)2{1|S<3>,4|H<1>}	C[6](C[6]S[6]HH)2(H)2{2|Rh<8>,1|C<4>}	H(C[6]C[6]S[6]H)	109.5143	1.743	4	108.9004	1.935	8	109.8357	3.005	41	109.3969	0.995	8506	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:Cl-1:H-1:	C[3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3x6]HO)(C[6]C[6,6a]O)(Cl)(H)	C[6](C[3x6]C[6,6,6a]O[6,6]O[6])(C[6]C[6]ClH)(OH)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[3x6]HO)(C[6]C[6,6a]O)(Cl)(H){2|C<3>,2|O<2>}	C[6](C[3x6]C[6,6,6a]O[6,6]O[6])(C[6]C[6]ClH)(OH)(H){1|C<4>,1|O<1>,3|C<3>}	H(C[6]C[6]2Cl)	107.5100	0.000	1	107.5100	0.000	1	107.5100	0.000	1	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:Cl-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(Cl)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]ClH)(OC)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(Cl)(H){1|C<4>,1|H<1>,1|I<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]ClH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2Cl)	109.6540	0.000	1	109.6540	0.000	1	109.6540	0.000	1	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6]HO)(C[6]C[6]H)(Cl)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H){1|Cl<1>,1|C<3>,2|H<1>}	H(C[6]C[6]2Cl)	108.9475	0.545	2	108.9475	0.297	2	109.0200	0.164	3	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]I)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OS)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6]HO)(C[6]C[6]I)(Cl)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OS)(H){1|C<3>,1|I<1>,2|H<1>}	H(C[6]C[6]2Cl)	109.1650	0.000	1	109.1650	0.000	1	109.0200	0.164	3	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(F)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(OS)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]HO)(C[6]C[6]H)(F)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(OS)(H){1|F<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2F)	109.3740	0.000	1	109.3740	0.000	1	108.7517	0.322	3	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]HO)(C[6]C[6]O)(F)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2F)	108.2620	0.000	1	108.2620	0.000	1	108.7517	0.322	3	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]HO)(C[6]C[6]O)(F)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2F)	108.6190	0.000	1	108.6190	0.000	1	108.7517	0.322	3	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]C)(H)2	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HO)(C[6]C[6]C)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(OH)(H){1|C<2>,2|C<4>}	H(C[6]C[6]2H)	109.9460	0.037	2	109.9460	0.001	2	109.9460	0.001	2	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3x6]HO)(C[6]C[6,6a]O)(H)2	C[6](C[3x6]C[6,6,6a]O[6,6]O[6])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HO)(C[6]C[6,6a]O)(H)2{2|C<3>,2|O<2>}	C[6](C[3x6]C[6,6,6a]O[6,6]O[6])(C[6]C[6]HH)(OC)(H){1|C<4>,1|O<1>,3|C<3>}	H(C[6]C[6]2H)	108.5930	0.028	2	108.5930	0.001	2	108.5930	0.001	2	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[3x6]O[6]H)(C[6]C[6]O)(H)2	C[6](C[3x6]C[6,6]2O[6,6])(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]O[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[6](C[3x6]C[6,6]2O[6,6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.9630	0.007	2	108.9630	0.000	2	108.9630	0.000	2	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[4,6]HO)(C[6]C[6]C)(H)2	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HO)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.5980	0.041	2	109.5980	0.002	2	109.5980	0.002	2	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HN)(C[6]C[6]H)(H)2	C[6](C[5,5,6]C[5,5,6]N[5]O[5])(C[6]C[6]HH)(NN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HN)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5,5,6]C[5,5,6]N[5]O[5])(C[6]C[6]HH)(NN)(H){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6]2H)	109.3852	0.033	4	109.3852	0.001	4	109.3852	0.001	4	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[5,6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(OSi)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	108.3270	0.020	2	108.3270	0.000	2	109.4802	0.701	21	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6,6]C)(H)2	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]C)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.6900	0.013	2	109.6900	0.000	2	109.4802	0.701	21	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.2580	0.000	1	109.2580	0.000	1	109.4802	0.701	21	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[6]C[6]2H)	110.6240	0.000	1	110.6240	0.000	1	109.4802	0.701	21	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>,2|S<2>}	H(C[6]C[6]2H)	109.4320	0.078	2	109.4320	0.006	2	109.4802	0.701	21	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3403	0.157	3	109.3403	0.025	3	109.4802	0.701	21	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC[5,6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2{5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC[5,6])(H){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2H)	111.1815	1.002	2	111.1815	1.004	2	109.4802	0.701	21	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OC)(H){1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.0685	0.036	2	109.0685	0.001	2	109.4802	0.701	21	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	110.0175	0.947	2	110.0175	0.896	2	109.4802	0.701	21	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6]C[6]HH)(OC)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	108.9620	0.016	2	108.9620	0.000	2	109.4802	0.701	21	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]S)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|N<3>,1|S<2>,2|C<4>}	H(C[6]C[6]2H)	108.9120	0.040	2	108.9120	0.002	2	109.4802	0.701	21	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HS)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(SC[6a])(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HS)(C[6]C[5,6]O)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(SC[6a])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5005	0.012	2	108.5005	0.000	2	108.8783	0.190	4	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HS)(C[6]C[6]N)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(SC[6a])(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HS)(C[6]C[6]N)(H)2{1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(SC[6a])(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[6]2H)	109.2560	0.011	2	109.2560	0.000	2	108.8783	0.190	4	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[5]O[6]H)(C[6]C[6]O)(H)2	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]O[6]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2760	0.000	1	109.2760	0.000	1	109.2760	0.000	1	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(CC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(CC)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.1760	0.000	1	109.1760	0.000	1	109.1760	0.000	1	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6,6]C)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9046	0.071	5	108.9046	0.005	5	108.3358	2.295	156	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	108.3500	0.088	3	108.3500	0.008	3	108.3358	2.295	156	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.3975	0.006	2	108.3975	0.000	2	108.3358	2.295	156	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5520	0.021	2	108.5520	0.000	2	108.3358	2.295	156	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H)2	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6]C[6]2H)	108.7945	1.578	2	108.7945	2.489	2	108.3358	2.295	156	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.0185	0.042	2	109.0185	0.002	2	108.3358	2.295	156	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.4716	0.437	5	109.2081	3.166	9	108.3358	2.295	156	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.6180	0.027	2	109.2081	3.166	9	108.3358	2.295	156	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.1395	4.849	2	109.2081	3.166	9	108.3358	2.295	156	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|H<1>,2|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.5692	0.051	4	109.2261	3.154	8	108.3358	2.295	156	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|H<1>,2|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.5050	0.033	2	109.2261	3.154	8	108.3358	2.295	156	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.2610	4.425	2	109.2261	3.154	8	108.3358	2.295	156	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>}	H(C[6]C[6]2H)	109.5400	0.047	2	109.5400	0.002	2	108.3358	2.295	156	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2395	0.042	2	109.2395	0.002	2	108.3358	2.295	156	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]N[5,6]O)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]N[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.1238	1.546	118	108.1264	2.371	119	108.3358	2.295	156	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]N[5,6]O)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]N[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H){1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.4300	0.000	1	108.1264	2.371	119	108.3358	2.295	156	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HS)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(SC[6a])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HS)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(SC[6a])(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.4770	0.025	2	109.4770	0.001	2	109.4770	0.001	2	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(CC[3,5]CH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(CC[3,5]CH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	110.0050	0.040	2	110.0050	0.002	2	109.2972	2.763	4	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(CC[6a]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(CC[6a]HH)(O[6]C[6])(H){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	108.5895	2.507	2	108.5895	6.284	2	109.2972	2.763	4	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)2{1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NC)(H){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	106.6300	1.667	2	106.6300	2.780	2	106.6300	2.780	2	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.9345	0.005	2	108.9345	0.000	2	108.9692	0.617	98	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.0120	0.033	2	109.0120	0.001	2	108.9692	0.617	98	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.2945	0.006	2	109.2945	0.000	2	108.9692	0.617	98	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(OS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(OS)(H){1|C<3>,1|C<4>}	H(C[6]C[6]2H)	109.4472	0.453	4	109.4182	0.158	5	108.9692	0.617	98	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(OS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(OS)(H){1|C<3>,1|C<4>}	H(C[6]C[6]2H)	109.3020	0.000	1	109.4182	0.158	5	108.9692	0.617	98	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2088	0.310	18	109.2056	0.086	20	108.9692	0.617	98	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1765	0.008	2	109.2056	0.086	20	108.9692	0.617	98	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2{1|Br<1>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.1280	0.039	7	109.1280	0.001	7	108.9692	0.617	98	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2{1|H<1>,1|I<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.9370	0.006	2	109.1453	0.058	4	108.9692	0.617	98	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	109.3535	0.006	2	109.1453	0.058	4	108.9692	0.617	98	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.1590	0.011	2	109.1590	0.000	2	108.9692	0.617	98	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4160	0.008	2	109.4160	0.000	2	108.9692	0.617	98	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2{1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(OSi)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	110.0175	1.755	4	109.2362	3.313	6	108.9692	0.617	98	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2{1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(OSi)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	107.6735	0.040	2	109.2362	3.313	6	108.9692	0.617	98	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	109.3090	0.034	2	109.3090	0.001	2	108.9692	0.617	98	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.0655	0.013	2	109.0655	0.000	2	108.9692	0.617	98	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	108.9890	0.014	2	108.9890	0.000	2	108.9692	0.617	98	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|I<1>,1|O<1>}	H(C[6]C[6]2H)	109.1135	0.016	2	108.2673	0.446	8	108.9692	0.617	98	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|O<1>,2|C<3>}	H(C[6]C[6]2H)	108.6055	0.218	2	108.2673	0.446	8	108.9692	0.617	98	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,1|W<7>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|W<7>}	H(C[6]C[6]2H)	107.6750	0.052	4	108.2673	0.446	8	108.9692	0.617	98	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.7711	0.593	7	109.7711	0.352	7	108.9692	0.617	98	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,1|W<7>,2|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<1>,1|W<7>,3|C<4>}	H(C[6]C[6]2H)	107.5995	0.057	4	107.5995	0.003	4	108.9692	0.617	98	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]S)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<3>,1|C<4>,1|S<4>}	H(C[6]C[6]2H)	109.2340	0.266	2	109.2340	0.071	2	108.9692	0.617	98	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]C)(H)2	C[6](C[6]C[6]HH)2(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(OC)(H){1|N<3>,3|C<4>}	H(C[6]C[6]2H)	110.7680	0.008	2	110.7680	0.000	2	108.9692	0.617	98	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.6815	0.015	2	108.6418	0.002	4	108.9692	0.617	98	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]O)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.6020	0.021	2	108.6418	0.002	4	108.9692	0.617	98	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]O)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.0745	0.016	4	108.1551	0.008	13	108.9692	0.617	98	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]O)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.1909	0.087	9	108.1551	0.008	13	108.9692	0.617	98	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:O-1:	C[6]-4:	C[6](C[6]C[6]OO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]OO)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(O){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	107.6635	1.638	2	107.6635	2.684	2	107.6635	2.684	2	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.6877	0.187	3	109.6877	0.035	3	109.5105	0.053	6	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]S[6]2C)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<2>,1|S<3>}	C[6](C[6]C[6]HH)(C[6]S[6]2C)(O[6]C[6])(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	H(C[6]C[6]2H)	109.3333	0.063	3	109.3333	0.004	3	109.5105	0.053	6	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HS)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HS)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.5350	0.016	2	109.5350	0.000	2	109.5350	0.000	2	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(N[6]C[6]C)(H)2	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]HH)(OH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[3,6]HO)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	109.2887	0.047	4	109.2887	0.002	4	109.2887	0.002	4	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(N[6]C[5,6]S)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(OH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HO)(N[6]C[5,6]S)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>,2|S<4>}	H(C[6]C[6]N[6]H)	109.8607	0.441	4	109.8607	0.194	4	109.2007	0.968	15	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OC)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OC)(H){1|O<2>,4|C<4>}	H(C[6]C[6]N[6]H)	110.0935	0.023	2	110.0935	0.001	2	109.2007	0.968	15	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]N[6]H)	107.5470	0.796	2	108.7275	1.082	6	109.2007	0.968	15	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|O<2>,4|C<4>}	H(C[6]C[6]N[6]H)	109.4790	0.700	2	108.7275	1.082	6	109.2007	0.968	15	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]N[6]H)	109.1565	0.006	2	108.7275	1.082	6	109.2007	0.968	15	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(N[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HO)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]N[6]H)	108.3390	1.175	2	108.3390	1.381	2	109.2007	0.968	15	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(N[6]C[6]S)(H)2	C[6](C[5,6]C[5,5,6]C[5,5a]H)(C[6]N[6]HH)(OC)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HO)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5,5a]H)(C[6]N[6]HH)(OC)(H){1|S<4>,2|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.3380	0.000	1	109.3380	0.000	1	109.2007	0.968	15	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(N[6]O[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]HH)(OH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HO)(N[6]O[6]C)(H)2{1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	109.8780	0.496	2	109.8780	0.246	2	109.8780	0.246	2	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(CN[5a]HH)(O[6]C[6])(H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>}	C[6](C[6]N[6]HH)(CN[5a]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|S<4>}	H(C[6]C[6]N[6]H)	110.0920	0.006	2	110.0920	0.000	2	110.0920	0.000	2	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CN)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CN)(H){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6415	0.028	2	109.6415	0.001	2	109.6415	0.001	2	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HN)(C[6]N[6]HH)(OH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]2)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]N[6]H)	107.5293	1.049	4	107.5293	1.100	4	109.5135	0.684	127	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	C[6](C[6]C[6]FH)(C[6]N[6]HH)(OH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|F<1>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]N[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3473	0.020	4	109.3473	0.000	4	109.5135	0.684	127	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC[6a])(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC[6a])(H){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5905	0.008	2	109.5905	0.000	2	109.5135	0.684	127	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4580	0.000	1	109.4580	0.000	1	109.5135	0.684	127	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	108.7725	0.205	4	109.1464	0.964	12	109.5135	0.684	127	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]N[6]H)	109.3334	1.173	8	109.1464	0.964	12	109.5135	0.684	127	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]N[6]HH)(C[6]O[6]CH)(OC)(H){1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	110.6205	1.276	2	110.6205	1.629	2	109.5135	0.684	127	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	108.4055	1.387	2	108.9533	0.567	6	109.5135	0.684	127	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2272	0.064	4	108.9533	0.567	6	109.5135	0.684	127	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<4>,1|H<1>,2|F<1>}	H(C[6]C[6]N[6]H)	108.4055	2.113	4	108.4055	4.467	4	109.5135	0.684	127	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)2(OH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(OH)(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7680	0.216	66	109.7680	0.047	66	109.5135	0.684	127	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H){1|C<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	109.1355	0.012	2	109.1355	0.000	2	109.5135	0.684	127	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]O)(H)2	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OC)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OC)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]N[6]H)	109.0535	0.050	2	109.0535	0.003	2	109.5135	0.684	127	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|O<2>,1|S<4>,2|C<4>}	H(C[6]C[6]N[6]H)	109.7360	0.035	2	109.6868	0.068	12	109.5135	0.684	127	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|S<4>,3|C<4>}	H(C[6]C[6]N[6]H)	109.8667	0.274	4	109.6868	0.068	12	109.5135	0.684	127	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7865	0.011	2	109.6868	0.068	12	109.5135	0.684	127	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|S<4>,3|C<4>}	H(C[6]C[6]N[6]H)	109.4323	0.193	4	109.6868	0.068	12	109.5135	0.684	127	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC[6a])(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC[6a])(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.3125	4.026	2	110.3125	16.205	2	109.5135	0.684	127	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H){1|O<2>,1|S<4>,2|C<4>}	H(C[6]C[6]N[6]H)	110.0090	0.083	2	109.5083	0.213	6	109.5135	0.684	127	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2580	0.319	4	109.5083	0.213	6	109.5135	0.684	127	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	H(C[6]C[6]N[6]H)	109.3725	0.016	2	109.3725	0.000	2	109.5135	0.684	127	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HS)(N[6]C[6]S)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]N[6]HH)(SC)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HS)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]HH)(SC)(H){1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6]N[6]H)	109.8030	0.166	4	109.8030	0.028	4	109.8030	0.028	4	108.9627	1.444	475	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-3:Br-1:H-1:	C[6,6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6]C[6,6]OO)(C[6]C[6]O)(Br)(H)	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]BrH)(OC)2	H(C[6]C[6]2Br)	C[6](C[6]C[6,6]OO)(C[6]C[6]O)(Br)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]BrH)(OC)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	H(C[6]C[6]2Br)	108.2605	0.523	2	108.2605	0.273	2	108.2605	0.273	2	108.9873	4.961	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6]C[5,6]OO)(C[6]C[6]C)(H)2	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(OC)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]OO)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(OC)2{2|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.0930	0.000	1	109.0930	0.000	1	109.0930	0.000	1	108.9873	4.961	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CN)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{2|C<2>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CN)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	107.5240	8.540	2	107.5240	72.939	2	108.8098	15.606	6	108.9873	4.961	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CN)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CN)2{2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.6340	0.000	1	109.6340	0.000	1	108.8098	15.606	6	108.9873	4.961	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CN)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CN)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2770	0.069	2	109.2770	0.005	2	108.8098	15.606	6	108.9873	4.961	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CN)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{2|C<2>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CN)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6230	0.000	1	109.6230	0.000	1	108.8098	15.606	6	108.9873	4.961	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6]C[6]OO)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]OO)(OC)2	H(C[6]C[6]2H)	C[6](C[6]C[6]OO)(C[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]N[6]OO)(OC)2{1|C<3>,1|C<4>,1|S<4>}	H(C[6]C[6]2H)	108.0450	0.028	2	108.0450	0.001	2	108.8520	0.551	5	108.9873	4.961	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6]C[6]OO)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(OC)2	H(C[6]C[6]2H)	C[6](C[6]C[6]OO)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(OC)2{3|C<3>}	H(C[6]C[6]2H)	109.3900	0.127	3	109.3900	0.016	3	108.8520	0.551	5	108.9873	4.961	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:2:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6]C[6]OO)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)2(OH)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]OO)(N[6]C[6]C)(H)2{1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)2(OH)2{1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.7595	0.185	4	109.7595	0.034	4	109.7595	0.034	4	108.9873	4.961	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:2:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:C-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(OC[6a])(CCCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(OC[6a])(CCCH){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.9495	0.077	2	108.9495	0.006	2	108.9495	0.006	2	108.9495	0.006	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]O[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]O[6])(H)2{1|Si<4>,1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,3|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	108.6050	0.051	2	108.6050	0.003	2	108.6050	0.003	2	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]N[6]O)(F)(H)	C[6](C[6]C[6,6a]C[6]O)(C[6]C[6]FH)(N[6]C[6]C)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]N[6]H)(C[6]N[6]O)(F)(H){1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6a]C[6]O)(C[6]C[6]FH)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	H(C[6]C[6]2F)	107.5840	0.000	1	107.5840	0.000	1	107.5840	0.000	1	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[3x6]N[6]H)(C[6]C[6]O)(H)2	C[6](C[3x6]C[6,6]3)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]N[6]H)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[3x6]C[6,6]3)(C[6]C[6]HH)(N[6]C[6]H)(H){2|O<1>,4|C<4>,6|H<1>}	H(C[6]C[6]2H)	108.7895	0.021	2	108.7895	0.000	2	109.5022	0.311	6	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[3x6]N[6]H)(C[6]O[6]C)(H)2	C[6](C[3x6]C[6,6]3)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]N[6]H)(C[6]O[6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[3x6]C[6,6]3)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.8585	0.102	4	109.8585	0.010	4	109.5022	0.311	6	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]C)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(CC[6a]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]C)(H)2{1|C<4>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	108.3787	0.155	4	108.3787	0.024	4	108.9877	0.251	39	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2080	0.031	2	109.2080	0.001	2	108.9877	0.251	39	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.2875	0.033	2	108.2875	0.001	2	108.9877	0.251	39	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CC[6a]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	108.7785	0.009	2	108.7325	0.003	4	108.9877	0.251	39	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CC[6a]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.6865	0.036	2	108.7325	0.003	4	108.9877	0.251	39	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2{1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H){1|C<4>,1|N<3>,2|O<1>,3|C<3>}	H(C[6]C[6]2H)	108.9895	0.029	2	108.9895	0.001	2	108.9877	0.251	39	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]Cl)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]Cl)(H)2{1|C<4>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H){1|Cl<1>,1|N<3>,2|O<1>,3|C<3>}	H(C[6]C[6]2H)	109.2900	0.000	1	109.3795	0.016	2	108.9877	0.251	39	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]Cl)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]Cl)(H)2{1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H){1|Cl<1>,1|N<3>,2|O<1>,3|C<3>}	H(C[6]C[6]2H)	109.4690	0.000	1	109.3795	0.016	2	108.9877	0.251	39	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHN)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8765	0.023	2	108.8765	0.001	2	108.9877	0.251	39	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN[5]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN[5]O)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0178	0.036	4	109.0178	0.001	4	108.9877	0.251	39	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.5575	0.005	2	109.1218	0.253	4	108.9877	0.251	39	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6860	0.023	2	109.1218	0.253	4	108.9877	0.251	39	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.4410	0.000	1	109.2852	0.009	5	108.9877	0.251	39	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.2605	0.049	2	109.2852	0.009	5	108.9877	0.251	39	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	H(C[6]C[6]2H)	109.2320	0.034	2	109.2852	0.009	5	108.9877	0.251	39	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6a]N[5,6]O)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5,6]C[5,6a]N[5,6]O)(C[6]C[6]HH)(COO)(H){1|C<4>,1|O<1>,3|C<3>}	H(C[6]C[6]2H)	109.2945	0.009	2	109.2945	0.000	2	108.9877	0.251	39	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]HH)(COO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	H(C[6]C[6]2H)	109.4820	0.016	2	109.7650	0.107	4	108.9877	0.251	39	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]HH)(COO)(H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	H(C[6]C[6]2H)	110.0480	0.027	2	109.7650	0.107	4	108.9877	0.251	39	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]N[6]O)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]N[6]O)(H)2{1|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	107.9805	0.043	2	107.9805	0.002	2	108.9877	0.251	39	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(H)2	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(H)2{1|O<2>,2|C<3>,3|C<4>}	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	H(C[6]C[6]2H)	108.7270	0.017	2	108.7270	0.000	2	108.7270	0.000	2	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(COO)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.3255	0.019	2	108.3255	0.000	2	108.9520	0.337	43	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H){2|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6]2H)	108.8960	0.141	4	108.8960	0.020	4	108.9520	0.337	43	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.1600	0.024	2	109.1600	0.001	2	108.9520	0.337	43	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CNO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CNO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.4530	0.130	4	109.4530	0.017	4	108.9520	0.337	43	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9550	0.010	2	108.8571	0.371	23	108.9520	0.337	43	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.8762	0.739	4	108.8571	0.371	23	108.9520	0.337	43	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0989	0.812	8	108.8571	0.371	23	108.9520	0.337	43	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.8080	0.544	2	108.8571	0.371	23	108.9520	0.337	43	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.4190	0.111	4	108.8571	0.371	23	108.9520	0.337	43	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7383	0.365	3	108.8571	0.371	23	108.9520	0.337	43	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6]HH)(COO)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.7860	1.277	2	109.7860	1.631	2	108.9520	0.337	43	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(COO)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6340	0.066	4	108.6340	0.004	4	108.9520	0.337	43	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3720	0.000	1	109.3720	0.000	1	108.9520	0.337	43	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]O[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]O[6]O)(H)2{1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3760	0.000	1	109.3760	0.000	1	108.9520	0.337	43	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	108.5700	0.013	2	108.5700	0.000	2	109.2037	1.313	140	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.7375	1.247	2	110.7375	1.554	2	109.2037	1.313	140	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(COO)(H){1|C<4>,3|C<3>}	H(C[6]C[6]2H)	109.7690	0.011	2	109.7690	0.000	2	109.2037	1.313	140	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1350	0.020	2	109.1350	0.000	2	109.2037	1.313	140	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CCC)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6]2H)	109.0885	0.023	4	109.0885	0.001	4	109.2037	1.313	140	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1895	0.263	4	109.0752	0.073	6	109.2037	1.313	140	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCC)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.8465	0.011	2	109.0752	0.073	6	109.2037	1.313	140	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CC[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CC[6]O)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3510	0.030	2	109.3510	0.001	2	109.2037	1.313	140	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9445	0.040	2	108.9445	0.002	2	109.2037	1.313	140	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.1850	0.020	2	109.1850	0.000	2	109.2037	1.313	140	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2790	1.957	2	109.2790	3.831	2	109.2037	1.313	140	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]O)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.8100	0.806	2	108.8100	0.650	2	109.2037	1.313	140	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.9080	1.130	11	108.9414	1.070	13	109.2037	1.313	140	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1250	0.013	2	108.9414	1.070	13	109.2037	1.313	140	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CNO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CNO)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.8353	0.161	9	108.8353	0.026	9	109.2037	1.313	140	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(COO)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.8037	0.369	3	108.8037	0.136	3	109.2037	1.313	140	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCC)(H){1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[6]2H)	109.3983	0.303	4	109.1692	0.077	12	109.2037	1.313	140	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCC)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	108.8700	0.264	2	109.1692	0.077	12	109.2037	1.313	140	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCC)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.0412	0.090	4	109.1692	0.077	12	109.2037	1.313	140	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.2660	0.004	2	109.1692	0.077	12	109.2037	1.313	140	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(CCN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCN)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4105	0.005	2	109.4105	0.000	2	109.2037	1.313	140	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6]O)(H){3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2540	0.052	4	109.2540	0.003	4	109.2037	1.313	140	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCC)(H){1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[6]2H)	108.8805	0.145	4	108.8805	0.021	4	109.2037	1.313	140	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(CC[6a]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC[6a]C)(H){1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.4045	0.385	4	109.4045	0.148	4	109.2037	1.313	140	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CCH)(H){1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.4490	0.000	1	109.4490	0.000	1	109.2037	1.313	140	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.3225	0.011	2	109.3225	0.000	2	109.2037	1.313	140	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.1615	0.135	4	109.1615	0.018	4	109.2037	1.313	140	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.9215	0.008	2	109.9215	0.000	2	109.2037	1.313	140	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(COO)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.6255	0.681	2	109.6255	0.464	2	109.2037	1.313	140	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.3132	0.180	8	109.3132	0.033	8	109.2037	1.313	140	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCC)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	109.1145	0.021	4	109.2885	4.272	28	109.2037	1.313	140	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCC)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	108.7002	0.083	4	109.2885	4.272	28	109.2037	1.313	140	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(CCC)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.7620	0.011	2	109.2885	4.272	28	109.2037	1.313	140	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CCC)(H){1|B<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	108.9210	0.008	2	109.2885	4.272	28	109.2037	1.313	140	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CCC)(H){1|C<2>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.4315	0.025	2	109.2885	4.272	28	109.2037	1.313	140	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CCC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.6280	0.000	1	109.2885	4.272	28	109.2037	1.313	140	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CCC)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.4820	3.198	12	109.2885	4.272	28	109.2037	1.313	140	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(CCC)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.1770	0.000	1	109.2885	4.272	28	109.2037	1.313	140	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CCF)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CCF)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.9385	0.283	8	108.9385	0.080	8	109.2037	1.313	140	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CHH)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.2420	0.966	2	109.2420	0.933	2	109.2037	1.313	140	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(COO)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.0410	0.030	2	109.0410	0.001	2	109.2037	1.313	140	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(CHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(CHH)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6]2H)	111.2420	4.798	2	111.2420	23.025	2	109.2037	1.313	140	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)2	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(NOO)(H){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.3725	0.070	2	109.3725	0.005	2	109.5840	1.747	33	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4357	0.106	10	109.4357	0.011	10	109.5840	1.747	33	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5395	0.009	2	109.5395	0.000	2	109.5840	1.747	33	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	110.1600	0.615	2	110.1600	0.378	2	109.5840	1.747	33	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)2(NCH)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	111.0385	2.222	2	111.0385	4.939	2	109.5840	1.747	33	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(NC[6]P)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6]P)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	112.6115	4.115	2	112.6115	16.930	2	109.5840	1.747	33	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H){1|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.5708	0.551	4	108.5708	0.304	4	109.5840	1.747	33	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]I)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]I)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<3>,1|H<1>,1|I<1>,1|O<2>}	H(C[6]C[6]2H)	109.6235	0.012	2	109.6235	0.000	2	109.5840	1.747	33	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(NCN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NCN)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.4477	0.076	3	109.4477	0.006	3	109.5840	1.747	33	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]O[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.2465	0.076	2	109.2465	0.006	2	109.5840	1.747	33	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HI)(NCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]O[6]O)(H)2{1|C<4>,1|H<1>,1|I<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HI)(NCC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.0530	0.052	2	108.0530	0.003	2	109.5840	1.747	33	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]S)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)(H)2{1|N<3>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	110.8705	2.662	4	110.8705	7.088	4	110.1260	5.583	6	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]N[6]O)(H)2	C[6](C[6]C[6,6a]2O)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]N[6]O)(H)2{1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6a]2O)(C[6]C[6]HH)(N[6]C[6]C)(H){1|N<3>,2|O<1>,4|C<3>}	H(C[6]C[6]2H)	108.6370	0.020	2	108.6370	0.000	2	110.1260	5.583	6	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:	C[6](C[6]C[6]HS)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SNiC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HS)(C[6]C[6]H)(H)2{1|C<4>,1|S<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SNiC)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	113.9935	10.240	2	113.9935	104.850	2	113.9935	104.850	2	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:Si-3:H-1:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(SiCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SiH)(C[6]C[6]C)(H)2{1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(SiCC)(H){1|C<4>,2|C<3>}	H(C[6]C[6]2H)	108.9430	0.037	2	108.9430	0.001	2	108.9430	0.001	2	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2665	0.258	4	109.2665	0.067	4	109.2665	0.067	4	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]N[6]HH)(CCH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]N[6]HH)(CCH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.0585	0.029	2	109.0585	0.001	2	109.0585	0.001	2	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(N[6]C[6,6]S)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]CH)(N[6]C[6,6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCH)(H){1|O<1>,1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.1735	0.930	2	108.1735	0.865	2	109.0725	0.486	8	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(N[6]C[6]S)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCC)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]CH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCC)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4105	0.023	2	109.4105	0.001	2	109.0725	0.486	8	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(N[6]C[6]S)(H)2	C[6](C[6,6]C[6]3)(C[6]N[6]HH)(CCH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]CH)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6]3)(C[6]N[6]HH)(CCH)(H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3530	0.356	4	109.3530	0.127	4	109.0725	0.486	8	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]N[5]H)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]HH)(N[5]C[5]2)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]N[5]H)(N[6]C[6]C)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]HH)(N[5]C[5]2)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	108.9045	0.013	2	108.9045	0.000	2	108.9045	0.000	2	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(COO)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.6350	0.000	1	109.6350	0.000	1	109.5531	0.204	34	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(COO)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(COO)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.0815	1.832	2	109.3141	0.451	9	109.5531	0.204	34	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(COO)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(COO)(H){1|C<4>,4|C<3>}	H(C[6]C[6]N[6]H)	109.3390	0.145	5	109.3141	0.451	9	109.5531	0.204	34	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(COO)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(COO)(H){1|C<4>,4|C<3>}	H(C[6]C[6]N[6]H)	109.4845	0.037	2	109.3141	0.451	9	109.5531	0.204	34	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCC)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCC)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7860	0.011	2	109.7860	0.000	2	109.5531	0.204	34	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6]H)	109.5460	0.017	2	109.5460	0.000	2	109.5531	0.204	34	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCC)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCC)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6443	0.068	3	109.6246	0.129	13	109.5531	0.204	34	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCC)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCC)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9348	0.084	6	109.6246	0.129	13	109.5531	0.204	34	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCC)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCC)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.1445	0.011	4	109.6246	0.129	13	109.5531	0.204	34	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCH)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5983	0.028	3	109.5983	0.001	3	109.5531	0.204	34	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HS)(C[6]N[6]HH)(COO)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HS)(C[6]N[6]HH)(COO)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5570	0.024	2	109.5570	0.001	2	109.5531	0.204	34	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)2(CC[6a]C)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)2(CC[6a]C)(H){1|C<4>,2|S<4>}	H(C[6]C[6]N[6]H)	109.8255	0.855	2	109.8255	0.731	2	109.5531	0.204	34	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(NCC)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(NCC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.0845	0.026	2	109.0845	0.001	2	109.3023	0.577	12	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(NC[6a]H)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(NC[6a]H)(H){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8203	0.058	4	109.8203	0.003	4	109.3023	0.577	12	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NC[6a]C)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NC[6a]C)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8720	0.013	2	109.8720	0.000	2	109.3023	0.577	12	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HO)(C[6]N[6]HH)(NHS)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(NHS)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]N[6]H)	108.6085	0.929	4	108.6085	0.863	4	109.3023	0.577	12	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HN)(C[6]N[6]HH)(N[5]C[5]2)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]N[5]H)(N[6]C[6]C)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(N[5]C[5]2)(H){1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	111.2875	0.059	2	111.2875	0.003	2	111.2875	0.003	2	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:Si-3:H-1:	C[6]-4:	C[6](C[6]C[6]SiH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(SiCC)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]SiH)(N[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(SiCC)(H){1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.3225	0.021	2	109.3225	0.000	2	109.4008	0.014	4	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:Si-3:H-1:	C[6]-4:	C[6](C[6]C[6]SiH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(SiCC)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]SiH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(SiCC)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4790	0.126	2	109.4790	0.016	2	109.4008	0.014	4	109.2684	1.428	344	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:C[6]-4:C[6a]-3:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]N[6,6]O)(Cl)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(C[6a]C[6a]2)(OH)	H(C[6]C[6]2Cl)	C[6](C[6]C[6a]C[6]O)(C[6]N[6,6]O)(Cl)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(C[6a]C[6a]2)(OH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6]2Cl)	107.4330	0.000	1	107.4330	0.000	1	107.4330	0.000	1	109.2274	0.246	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHO)(OSi)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHO)(OSi){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0106	0.180	15	109.0106	0.033	15	109.0106	0.033	15	109.2274	0.246	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)(CN)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)(CN){5|C<3>}	H(C[6]C[6]2H)	109.5870	0.054	2	109.5870	0.003	2	109.4838	0.015	4	109.2274	0.246	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(COO)(CN)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(COO)(CN){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3805	0.008	2	109.3805	0.000	2	109.4838	0.015	4	109.2274	0.246	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:N-2:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(COO)(NS)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(COO)(NS){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.6585	0.019	2	108.6585	0.000	2	108.6585	0.000	2	109.2274	0.246	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CF)(C[6]C[6]HH)(CCH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|F<1>,2|H<1>}	C[6](C[6]C[6]CF)(C[6]C[6]HH)(CCH)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.6505	0.062	2	109.6505	0.004	2	109.3815	0.040	8	109.2274	0.246	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CCC)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCC)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.3735	0.040	4	109.3735	0.002	4	109.3815	0.040	8	109.2274	0.246	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(COO)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(COO)(OH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1285	0.033	2	109.1285	0.001	2	109.3815	0.040	8	109.2274	0.246	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:2:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(N[6]C[6]S)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCO)(OH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CO)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCO)(OH){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.1150	0.048	2	110.1150	0.002	2	110.1150	0.002	2	109.2274	0.246	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:2:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:N-2:	C[6]-4:	C[6](C[6]C[6]NN)(N[6]C[6]N)(H)2	C[6](C[6]N[6]HH)2(NOO)(NN)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]NN)(N[6]C[6]N)(H)2{1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)2(NOO)(NN){1|C<4>,2|N<3>}	H(C[6]C[6]N[6]H)	109.7655	0.163	4	109.7655	0.027	4	109.7655	0.027	4	109.2274	0.246	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8070	0.000	1	108.8070	0.000	1	108.8070	0.000	1	109.1260	2.005	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(COO)2{3|C<3>}	H(C[6]C[6]2H)	109.1912	1.145	4	108.8526	1.279	13	108.7509	1.013	19	109.1260	2.005	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(COO)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	108.5235	0.011	2	108.8526	1.279	13	108.7509	1.013	19	109.1260	2.005	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(COO)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	107.9640	2.932	2	108.8526	1.279	13	108.7509	1.013	19	109.1260	2.005	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(COO)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.0705	0.047	2	108.8526	1.279	13	108.7509	1.013	19	109.1260	2.005	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(COO)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3005	0.006	2	108.8526	1.279	13	108.7509	1.013	19	109.1260	2.005	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(COO)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6020	0.000	1	108.8526	1.279	13	108.7509	1.013	19	109.1260	2.005	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(COO)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	107.8860	0.748	2	107.8860	0.560	2	108.7509	1.013	19	109.1260	2.005	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(COO)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	108.5020	0.006	2	108.6400	0.057	3	108.7509	1.013	19	109.1260	2.005	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(COO)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	108.9160	0.000	1	108.6400	0.057	3	108.7509	1.013	19	109.1260	2.005	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]S)(H)2	C[6](C[6]C[6]HH)2(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(COO)2{1|H<1>,1|S<4>,2|C<3>}	H(C[6]C[6]2H)	109.4920	0.000	1	109.4920	0.000	1	108.7509	1.013	19	109.1260	2.005	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(CCC)(NHS)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCC)(NHS){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.4090	1.206	2	108.4090	1.455	2	108.7640	0.506	6	109.1260	2.005	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)(NCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)(NCH){3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.9415	0.482	4	108.9415	0.232	4	108.7640	0.506	6	109.1260	2.005	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:C-3:	C[6]-4:	C[6](C[6]C[6]N[5]C)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(CHO)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]C)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(CHO){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	H(C[6]C[6]2H)	110.2913	2.296	8	110.2913	5.270	8	110.0571	4.344	10	109.1260	2.005	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:C-3:	C[6]-4:	C[6](C[6]C[6]N[5]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(CHO)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]C)(C[6]C[6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(CHO){2|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.1205	0.114	2	109.1205	0.013	2	110.0571	4.344	10	109.1260	2.005	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CNO)(NCH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CN)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CNO)(NCH){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.4310	0.000	1	109.4310	0.000	1	109.4310	0.000	1	109.1260	2.005	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]S[6]C)(C[6]C[6]C)(H)2	C[6](C[6]C[6]S[6]C)(C[6]C[6]HH)(S[6]C[6]Pt)(CF3)	H(C[6]C[6]2H)	C[6](C[6]C[6]S[6]C)(C[6]C[6]C)(H)2{1|Pt<4>,1|S<3>,4|C<4>}	C[6](C[6]C[6]S[6]C)(C[6]C[6]HH)(S[6]C[6]Pt)(CF3){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	107.0370	0.030	2	107.0370	0.001	2	107.0370	0.001	2	106.9825	0.047	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	Si[6]-4:C[6]-4:N-3:Si-4:	C[6]-4:	C[6](C[6]Si[6]SiN)(C[6]C[6]C)(H)2	C[6](Si[6]C[6]SiO)(C[6]C[6]HH)(NC[6a]2)(SiC3)	H(C[6]C[6]2H)	C[6](C[6]Si[6]SiN)(C[6]C[6]C)(H)2{1|Si<4>,1|O<2>,2|C<4>}	C[6](Si[6]C[6]SiO)(C[6]C[6]HH)(NC[6a]2)(SiC3){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	106.9553	0.274	4	106.9553	0.075	4	106.9553	0.075	4	106.9825	0.047	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:Br-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(Br)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]BrH)(CH3)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(Br)(H){1|Br<1>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]BrH)(CH3)(H){1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2Br)	106.7810	0.013	2	106.7810	0.000	2	106.7810	0.000	2	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]O)(H)2	C[6](C[3]C[3]N[3]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]O)(H)2{1|N<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[3]C[3]N[3]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,1|S<4>,3|H<1>}	H(C[6]C[6]2H)	108.3070	0.041	4	108.3070	0.002	4	108.5034	0.383	9	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3]C[6]H)(C[6]C[6]H)(H)2	C[6](C[3]C[3]2C)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[3]C[3]2C)(C[6]C[6]HH)2(H){2|Cl<1>,1|C<3>,1|O<1>,3|H<1>}	H(C[6]C[6]2H)	109.5080	0.000	1	109.5080	0.000	1	108.5034	0.383	9	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3]C[6]H)(C[6]C[6]O)(H)2	C[6](C[3]C[3]2C)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[3]C[3]2C)(C[6]C[6]HH)2(H){2|Cl<1>,1|C<3>,1|O<1>,3|H<1>}	H(C[6]C[6]2H)	109.1340	0.042	2	109.1340	0.002	2	108.5034	0.383	9	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3]C[6]H)(C[6]N[6]O)(H)2	C[6](C[3]C[3]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]H)(C[6]N[6]O)(H)2{1|S<4>,3|C<4>,3|H<1>}	C[6](C[3]C[3]2H)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	H(C[6]C[6]2H)	107.7635	0.008	2	107.7635	0.000	2	108.5034	0.383	9	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3x6]CH)(C[6]C[6]H)(H)2	C[6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1170	0.018	2	109.1170	0.000	2	109.1170	0.000	2	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[4,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[4,6]CH)(C[6]C[6]H)(H)2	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.0817	0.026	4	109.0817	0.001	4	109.0817	0.001	4	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]CH)(C[6]C[6]O)(H)2	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|O<2>,2|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.0810	0.037	2	108.0810	0.001	2	108.1898	0.016	4	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]CH)(C[6]C[6]O)(H)2	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.2985	0.015	2	108.2985	0.000	2	108.1898	0.016	4	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[6,6]C)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6,6]C)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(CH3)(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	107.7435	0.330	2	107.7435	0.109	2	108.7251	0.355	10	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[6,6]O)(H)2	C[6](C[5,6,6]C[3x6]C[5,6]C[5])(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6,6]O)(H)2{1|C<3>,4|C<4>}	C[6](C[5,6,6]C[3x6]C[5,6]C[5])(C[6]C[6]HH)(CCCH)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7570	0.028	2	108.7570	0.001	2	108.7251	0.355	10	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[6]H)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4695	0.011	2	109.4695	0.000	2	108.7251	0.355	10	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[6]O)(H)2	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8277	0.047	4	108.8277	0.002	4	108.7251	0.355	10	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]O)(C[3]C[3]2H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[3]C[3]2H)(C[6]C[6]HH)(H){2|H<1>,3|C<3>,5|C<4>}	H(C[6]C[6]2H)	109.2140	0.068	4	109.2140	0.005	4	109.2140	0.005	4	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2	C[6](C[5,6]C[5,6,6]O[5]H)(C[5]C[5]2H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[5]C[5]2H)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,7|C<4>}	H(C[6]C[6]2H)	110.7390	0.013	2	110.7390	0.000	2	110.7390	0.000	2	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.7373	0.574	4	108.7373	0.330	4	108.9405	0.310	105	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(CCHH)(H){1|O<1>,4|C<4>}	H(C[6]C[6]2H)	108.6645	0.306	4	108.6645	0.094	4	108.9405	0.310	105	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(H)2{1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,5|C<4>}	H(C[6]C[6]2H)	108.1620	0.112	4	108.1620	0.013	4	108.9405	0.310	105	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]H)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2220	0.302	4	109.2220	0.091	4	108.9405	0.310	105	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]O)(H)2	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]O)(H)2{4|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]HH)(CCHH)(H){1|O<2>,6|C<3>}	H(C[6]C[6]2H)	109.1350	0.027	2	109.1350	0.001	2	108.9405	0.310	105	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]O)(H)2	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]O)(H)2{2|C<3>,2|C<4>}	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6]2H)	109.2455	0.006	2	109.2455	0.000	2	108.9405	0.310	105	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]O)(H)2	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]O)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.6130	0.000	2	108.6130	0.000	2	108.9405	0.310	105	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6a]O)(H)2	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6a]O)(H)2{4|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]HH)(CCHH)(H){1|O<1>,6|C<3>}	H(C[6]C[6]2H)	108.8943	0.183	13	108.8943	0.033	13	108.9405	0.310	105	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(CCCH)(H){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6]2H)	109.0720	0.039	3	109.0720	0.002	3	108.9405	0.310	105	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.2570	1.021	4	110.2570	1.042	4	108.9405	0.310	105	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9318	0.487	6	108.9451	0.199	7	108.9405	0.310	105	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.0250	0.000	1	108.9451	0.199	7	108.9405	0.310	105	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	107.3545	2.057	2	107.3545	4.231	2	108.9405	0.310	105	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8015	0.008	2	108.8015	0.000	2	108.9405	0.310	105	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.3915	0.012	2	108.3915	0.000	2	108.9405	0.310	105	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6,6]C[5,5]O)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5,5]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.4820	0.030	2	109.4820	0.001	2	108.9405	0.310	105	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(CH3)(H){1|O<1>,3|C<3>}	H(C[6]C[6]2H)	108.3820	0.031	2	108.3820	0.001	2	108.9405	0.310	105	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.1465	0.028	2	109.1465	0.001	2	108.9405	0.310	105	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6600	0.028	2	108.6600	0.001	2	108.9405	0.310	105	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0850	0.007	2	109.0850	0.000	2	108.9405	0.310	105	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(H){1|O<2>,2|O<1>,3|C<3>}	H(C[6]C[6]2H)	108.9866	0.263	36	108.9866	0.069	36	108.9405	0.310	105	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCCH)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.7790	0.006	2	108.7790	0.000	2	108.9405	0.310	105	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]O[6]O)(H)2	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]O[6]O)(H)2{1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.7280	0.024	2	109.7280	0.001	2	108.9405	0.310	105	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]O)(H)2{4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,4|C<4>,7|H<1>}	H(C[6]C[6]2H)	108.5550	0.020	2	108.5550	0.000	2	108.5550	0.000	2	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HP)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(PC[6a]2O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HP)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(PC[6a]2O)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.7240	0.011	2	108.7240	0.000	2	108.7240	0.000	2	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:Si-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]SiH)(C[6]C[5,6,6]O)(H)2	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(SiC[6a]CC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]SiH)(C[6]C[5,6,6]O)(H)2{5|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(SiC[6a]CC)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.0680	0.006	2	108.0680	0.000	2	108.0680	0.000	2	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[5]C[5]O[5]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	112.1010	0.543	2	112.1010	0.295	2	109.3738	1.401	19	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]C)(H)2	C[6](C[5]C[5]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1573	0.095	4	109.1573	0.009	4	109.3738	1.401	19	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)2	C[6](C[5]C[5,6a]C[5,6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)2{1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[5]C[5,6a]C[5,6]C)(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	107.8985	2.139	2	107.8985	4.575	2	109.3738	1.401	19	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)2	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)2(H){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2205	0.012	2	109.3752	0.032	4	109.3738	1.401	19	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)2	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.5300	0.020	2	109.3752	0.032	4	109.3738	1.401	19	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)2	C[6](C[5]N[5]S[5]C)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)2{1|N<3>,1|S<2>,2|H<1>,3|C<4>}	C[6](C[5]N[5]S[5]C)(C[6]C[6]HH)2(H){1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.1970	0.000	1	109.1970	0.000	1	109.3738	1.401	19	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(H)2	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)2(H){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.8575	0.018	2	108.9505	0.012	4	109.3738	1.401	19	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(H)2	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.0435	0.008	2	108.9505	0.012	4	109.3738	1.401	19	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(H)2	C[6](C[5]C[5]S[5]C)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|S<2>,2|C<4>,4|H<1>}	C[6](C[5]C[5]S[5]C)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	H(C[6]C[6]2H)	109.4875	0.032	2	109.4875	0.001	2	109.3738	1.401	19	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	107.7340	0.028	2	107.7340	0.001	2	109.2156	1.633	38	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	H(C[6]C[6]2H)	108.8520	0.000	1	108.8520	0.000	1	109.2156	1.633	38	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6a]O)(H)2	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6a]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.6885	0.006	2	108.6885	0.000	2	109.2156	1.633	38	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]B[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|B<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]B[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.2445	0.016	2	109.2445	0.000	2	109.2156	1.633	38	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.1620	0.047	2	109.1620	0.002	2	109.2156	1.633	38	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0615	0.936	4	109.0615	0.876	4	109.2156	1.633	38	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<2>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<1>}	H(C[6]C[6]2H)	108.8890	0.006	4	109.6899	2.978	16	109.2156	1.633	38	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1267	0.248	3	109.6899	2.978	16	109.2156	1.633	38	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|H<1>,2|O<1>,3|C<4>}	H(C[6]C[6]2H)	112.4890	0.761	4	109.6899	2.978	16	109.2156	1.633	38	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	108.4294	0.040	5	109.6899	2.978	16	109.2156	1.633	38	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	107.9980	0.047	2	108.8972	1.079	4	109.2156	1.633	38	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.7965	0.023	2	108.8972	1.079	4	109.2156	1.633	38	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.0840	0.006	2	109.0840	0.000	2	109.2156	1.633	38	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CC[5]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CC[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.4110	0.000	1	108.4110	0.000	1	109.2156	1.633	38	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<3>,3|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.1155	0.006	2	109.1155	0.000	2	109.2156	1.633	38	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5900	0.011	2	108.5900	0.000	2	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<2>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CHHO)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.0692	2.161	4	109.0692	4.671	4	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.9445	0.214	2	107.9445	0.046	2	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H){2|C<3>}	H(C[6]C[6]2H)	109.2470	0.000	1	109.2470	0.000	1	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|Cl<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(CC3)(H){3|C<3>}	H(C[6]C[6]2H)	108.4717	0.853	7	108.4717	0.727	7	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(H){3|C<3>}	H(C[6]C[6]2H)	109.1718	0.226	4	109.1718	0.051	4	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){3|C<3>}	H(C[6]C[6]2H)	108.7400	0.264	4	108.5097	0.163	8	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){3|C<3>}	H(C[6]C[6]2H)	108.2795	0.411	4	108.5097	0.163	8	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CHHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(CHHN)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	110.9185	0.008	2	110.9185	0.000	2	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.0625	0.016	2	109.0625	0.000	2	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CP)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|P<4>}	C[6](C[6]C[6]CP)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1460	0.007	2	109.1460	0.000	2	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[5]CC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[5]CC)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	107.8045	0.508	2	107.8045	0.258	2	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HW)(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|W<7>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HW)(CC3)(H){1|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.6410	0.000	1	108.6410	0.000	1	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H){1|C<3>,1|H<1>}	H(C[6]C[6]2H)	109.3150	0.000	1	109.3150	0.000	1	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(CCCF)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCCF)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	111.0190	2.029	2	111.0190	4.118	2	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCCH)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	110.4502	2.665	4	109.9320	4.906	6	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCCH)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.8955	0.012	2	109.9320	4.906	6	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(CCCN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCCN)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.7115	0.012	2	108.7115	0.000	2	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.1145	0.244	4	108.2951	1.630	8	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.4758	0.163	4	108.2951	1.630	8	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(CC[3]CO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CC[3]CO)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2556	0.076	5	109.2556	0.006	5	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(CClCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CClCC)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.2240	0.000	1	108.9597	0.052	3	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(CClCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CClCC)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.8275	0.013	2	108.9597	0.052	3	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[6]2H)	99.6555	12.607	2	107.2653	33.754	10	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.0680	0.017	2	107.2653	33.754	10	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2H)	109.1055	0.037	2	107.2653	33.754	10	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	109.1725	0.005	2	107.2653	33.754	10	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3250	0.018	2	107.2653	33.754	10	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6]2H)	108.8030	0.038	2	108.8030	0.001	2	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6a]O[6]O)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|O<2>}	C[6](C[6]C[6a]O[6]O)(C[6]C[6]HH)(CH3)(H){1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.6465	0.009	2	109.6465	0.000	2	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.8317	0.325	4	108.8317	0.106	4	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(CC3)(H){1|Br<1>,1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2H)	108.5798	0.085	4	108.5798	0.007	4	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[6]2H)	109.6245	1.196	2	109.1996	1.404	11	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.9800	0.000	1	109.1996	1.404	11	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.0527	1.098	6	109.1996	1.404	11	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.3255	2.452	2	109.1996	1.404	11	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0050	0.000	1	108.7537	0.136	7	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.2165	0.011	2	108.7537	0.136	7	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9240	0.035	2	108.7537	0.136	7	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9950	0.028	2	108.7537	0.136	7	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.2365	0.073	2	109.2365	0.005	2	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HH)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	112.2700	0.868	2	112.2700	0.754	2	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	109.2010	0.133	4	109.1198	0.027	6	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	108.9575	0.029	2	109.1198	0.027	6	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CHHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CHHN)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.1185	0.028	2	109.1185	0.001	2	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.5320	0.950	2	109.5320	0.903	2	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCoCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCoCH)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.1420	0.024	2	109.1420	0.001	2	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.0265	0.026	2	109.0853	0.033	8	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.8375	0.016	2	109.0853	0.033	8	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.2385	0.046	4	109.0853	0.033	8	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6]HH)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	109.2935	0.021	4	109.2935	0.000	4	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CB[5]CH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CB[5]CH)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	110.0115	4.453	4	110.0115	19.830	4	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CCCN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCCN)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.7830	0.010	2	108.7830	0.000	2	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.9680	0.191	6	108.9299	0.120	10	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	108.8727	0.540	4	108.9299	0.120	10	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CCHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	114.2060	0.000	1	114.2060	0.000	1	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CC[6a]CC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC[6a]CC)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.2135	0.021	2	109.1145	0.010	6	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CC[6a]CC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC[6a]CC)(H){1|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.0650	0.079	4	109.1145	0.010	6	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CC[6a]CS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC[6a]CS)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	110.5230	1.913	4	110.5230	3.660	4	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CClCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CClCC)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	108.8775	0.022	2	108.8775	0.000	2	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.1830	0.000	1	109.2752	4.741	52	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|Si<4>,1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	108.0725	0.009	2	109.2752	4.741	52	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.6120	0.011	2	109.2752	4.741	52	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,2|O<1>}	H(C[6]C[6]2H)	108.7341	4.964	8	109.2752	4.741	52	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.8005	0.008	2	109.2752	4.741	52	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	108.9850	0.000	1	109.2752	4.741	52	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.4890	0.090	4	109.2752	4.741	52	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	110.8955	1.932	8	109.2752	4.741	52	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.3852	1.143	10	109.2752	4.741	52	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.7950	0.765	2	109.2752	4.741	52	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.0037	0.099	10	109.2752	4.741	52	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|Si<4>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	108.8510	0.038	2	109.2752	4.741	52	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]S)(H)2	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CBrHS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CBrHS)(H){1|C<3>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	109.4910	0.041	2	109.4910	0.002	2	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(H){1|N<3>,2|O<1>}	H(C[6]C[6]2H)	108.5401	0.219	11	108.5401	0.048	11	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.1175	0.011	2	109.1175	0.000	2	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,2|O<1>}	H(C[6]C[6]2H)	108.7293	0.344	3	108.7293	0.118	3	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)2(CHHI)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CHHI)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.0150	0.133	4	108.0150	0.018	4	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]S)(H)2	C[6](C[6]C[6]HH)2(CHHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]S)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CHHN)(H){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	H(C[6]C[6]2H)	107.9740	0.042	2	107.9740	0.002	2	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.2360	0.106	3	108.2360	0.011	3	109.0247	3.519	240	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.6270	0.028	2	108.6270	0.001	2	108.8077	0.616	22	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	H(C[6]C[6]2H)	108.7185	0.097	6	108.7185	0.009	6	108.8077	0.616	22	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]N[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2{1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6]N[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	H(C[6]C[6]2H)	108.3150	0.020	2	109.4055	2.557	4	108.8077	0.616	22	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]N[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2{1|N<4>,3|C<4>,4|H<1>}	C[6](C[6]C[6]N[6]C)(C[6]C[6]HH)2(H){1|O<1>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	110.4960	1.707	2	109.4055	2.557	4	108.8077	0.616	22	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6]2H)	109.5650	0.004	2	109.5650	0.000	2	108.8077	0.616	22	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6]2H)	108.5865	0.015	2	108.5865	0.000	2	108.8077	0.616	22	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]N[6]O)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,2|O<1>,4|H<1>}	H(C[6]C[6]2H)	108.5740	0.544	4	108.5740	0.296	4	108.8077	0.616	22	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]O[6]O)(H)2	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]O[6]O)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H){1|C<4>,2|H<1>,2|O<1>,2|O<2>}	H(C[6]C[6]2H)	107.9920	0.004	2	107.9920	0.000	2	108.8077	0.616	22	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.5050	0.194	6	109.5050	0.038	6	108.7710	3.404	24	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NH3)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4843	0.100	3	109.4843	0.010	3	108.7710	3.404	24	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HO)(NH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]HO)(NH3)(H){1|C<3>,1|H<1>}	H(C[6]C[6]2H)	109.9843	0.127	7	109.9843	0.016	7	108.7710	3.404	24	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(NCuCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NCuCH)(H){1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	106.8912	2.225	8	106.8912	4.952	8	108.7710	3.404	24	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(PC[6]2Ir)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2Ir)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.8825	1.306	2	108.8825	1.706	2	107.4989	20.444	6	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(PC[6]2Pt)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2Pt)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5925	0.042	2	109.5925	0.002	2	107.4989	20.444	6	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(PC[6]BH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]BH)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	104.0218	7.984	2	104.0218	63.737	2	107.4989	20.444	6	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6]C[6]HS)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(SC[6a]OO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HS)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(SC[6a]OO)(H){2|C<3>,2|N<3>}	H(C[6]C[6]2H)	109.5020	0.041	2	109.5020	0.002	2	109.0702	0.263	6	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6]C[6]HS)(C[6]O[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HS)(C[6]O[6]O)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)(H){1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.8542	0.501	4	108.8542	0.251	4	109.0702	0.263	6	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6,6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(SiC[6a]CC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SiH)(C[6]C[6,6]O)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(SiC[6a]CC)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	112.2270	1.680	2	112.2270	2.823	2	110.4210	5.290	4	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6,6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SiC[6a]CC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SiH)(C[6]C[6,6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SiC[6a]CC)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.6150	0.035	2	108.6150	0.001	2	110.4210	5.290	4	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:P[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]P[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(P[6]C[6]CW)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]P[6]CH)(C[6]C[6]C)(H)2{1|W<6>,3|C<4>}	C[6](C[6]C[6]HH)(P[6]C[6]CW)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.1695	0.042	2	108.1695	0.002	2	108.1695	0.002	2	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	B[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]B[5,6]CH)(N[6]C[6]S)(H)2	C[6](B[5,6]C[6]N[5]O[5])(C[6]N[6]HH)(CCCH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]B[5,6]CH)(N[6]C[6]S)(H)2{1|C<4>,1|N<4>,1|O<2>,2|H<1>}	C[6](B[5,6]C[6]N[5]O[5])(C[6]N[6]HH)(CCCH)(H){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5733	0.160	3	109.5733	0.026	3	109.5733	0.026	3	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	B[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]B[6]CH)(N[6]C[6]S)(H)2	C[6](B[6]C[6]N[6]H)(C[6]N[6]HH)(CCCH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]B[6]CH)(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](B[6]C[6]N[6]H)(C[6]N[6]HH)(CCCH)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.2152	0.412	4	109.2152	0.170	4	109.2152	0.170	4	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[3,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]C[6]H)(N[6]C[6]S)(H)2	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6]N[6]H)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[3,6]C[6]H)(N[6]C[6]S)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6]N[6]H)(C[6]N[6]HH)(H){2|C<3>,2|S<4>,3|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	106.6705	0.018	2	106.6705	0.000	2	106.6705	0.000	2	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(N[6]C[5,6]H)(H)2	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]N[6]HH)(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]CH)(N[6]C[5,6]H)(H)2{5|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]N[6]HH)(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.4990	0.158	3	108.4990	0.025	3	109.0582	0.188	9	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(CHHO)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(CHHO)(H){1|C<3>,1|N<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.2445	0.019	2	109.2445	0.000	2	109.0582	0.188	9	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(H)2	C[6](C[5,6]C[6]N[5]O[5])(C[6]N[6]HH)(CC[6a]HS)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[6]N[5]O[5])(C[6]N[6]HH)(CC[6a]HS)(H){1|N<2>,2|C<4>,3|C<3>}	H(C[6]C[6]N[6]H)	109.3845	0.074	4	109.3845	0.005	4	109.0582	0.188	9	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(N[6]C[6,6]H)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]CH)(N[6]C[6,6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]HH)(CH3)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	108.5970	0.024	2	108.5970	0.001	2	109.1224	0.228	8	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(N[6]C[6,6]S)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]HH)(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]CH)(N[6]C[6,6]S)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]HH)(CCHH)(H){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.4080	0.487	4	109.4080	0.238	4	109.1224	0.228	8	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(N[6]C[6]C)(H)2	C[6](C[6,6]C[5,6]C[6]2)(C[6]N[6]HH)(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]CH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6]2)(C[6]N[6]HH)(CCHH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.0765	0.022	2	109.0765	0.000	2	109.1224	0.228	8	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6]H)(N[6]C[6]S)(H)2	C[6](C[6,6]C[3x6]2Cl)(C[6]C[6]HO)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]C[6]H)(N[6]C[6]S)(H)2{1|Cl<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]2Cl)(C[6]C[6]HO)(C[6]N[6]HH)(H){1|S<4>,4|H<1>,5|C<4>}	H(C[6]C[6]N[6]H)	109.8517	0.338	4	109.8517	0.114	4	109.8517	0.114	4	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:	C[6](C[6]C[6]BH)(N[6]C[6]S)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(BC[5]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]BH)(N[6]C[6]S)(H)2{2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(BC[5]HH)(H){1|C<4>,1|S<4>,3|C<3>}	H(C[6]C[6]N[6]H)	108.8700	0.011	2	108.8700	0.000	2	108.8700	0.000	2	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:	C[6](C[6]C[6]ClC)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)(Cl)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]ClC)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)(Cl){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3270	0.030	2	109.3270	0.001	2	109.3370	0.001	4	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:	C[6](C[6]C[6]ClC)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(Cl)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]ClC)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(Cl){1|Cl<1>,1|F<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.3470	0.031	2	109.3470	0.001	2	109.3370	0.001	4	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CHHO)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CHHO)(H){2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.1602	0.037	4	109.1602	0.001	4	109.2855	0.147	91	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CHHO)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CHHO)(H){2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.1755	0.084	2	109.1755	0.007	2	109.2855	0.147	91	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	108.8604	0.208	8	108.8604	0.043	8	109.2855	0.147	91	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(H){1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]N[6]H)	110.3095	0.008	2	110.3095	0.000	2	109.2855	0.147	91	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6]HH)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]N[6]H)	109.7590	0.010	4	109.7355	0.001	6	109.2855	0.147	91	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6]H)	109.6885	0.019	2	109.7355	0.001	6	109.2855	0.147	91	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.1621	0.134	14	109.1489	0.016	20	109.2855	0.147	91	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){2|C<4>,2|F<1>}	H(C[6]C[6]N[6]H)	109.0055	0.056	2	109.1489	0.016	20	109.2855	0.147	91	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.1743	0.072	4	109.1489	0.016	20	109.2855	0.147	91	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHO)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHO)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.3640	0.004	2	109.3640	0.000	2	109.2855	0.147	91	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HN)(C[6]N[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(CH3)(H){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3488	0.048	6	109.3488	0.002	6	109.2855	0.147	91	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCHH)(H){1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.2619	0.267	11	109.2619	0.071	11	109.2855	0.147	91	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CH3)(H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	108.4550	0.058	2	108.4550	0.003	2	109.2855	0.147	91	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3150	0.000	1	109.3150	0.000	1	109.2855	0.147	91	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]H)(H)2	C[6](C[6]C[6]O[6]H)(C[6]N[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O[6]H)(C[6]N[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	H(C[6]C[6]N[6]H)	109.3585	0.035	2	109.3585	0.001	2	109.2855	0.147	91	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]CC)(C[6]N[6]HH)(CF3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]N[6]HH)(CF3)(H){1|C<3>,1|C<4>,1|S<4>}	H(C[6]C[6]N[6]H)	109.8110	0.038	2	109.8110	0.001	2	109.2855	0.147	91	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6530	0.014	2	109.6530	0.000	2	109.2855	0.147	91	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.0565	0.082	4	109.1959	0.021	12	109.2855	0.147	91	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|Br<1>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6]H)	109.3030	0.152	4	109.1959	0.021	12	109.2855	0.147	91	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	H(C[6]C[6]N[6]H)	109.2283	0.066	4	109.1959	0.021	12	109.2855	0.147	91	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCCO)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCCO)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9245	0.042	2	109.9245	0.002	2	109.2855	0.147	91	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CH3)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8915	0.037	2	109.8708	0.001	4	109.2855	0.147	91	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CH3)(H){1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6]N[6]H)	109.8500	0.016	2	109.8708	0.001	4	109.2855	0.147	91	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9750	0.000	1	109.9750	0.000	1	109.2855	0.147	91	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]S[6]C)(H)2	C[6](C[6]N[6]CH)(C[6]N[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]S[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,2|O<1>}	C[6](C[6]N[6]CH)(C[6]N[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6]H)	108.4330	0.045	2	108.4330	0.002	2	109.2855	0.147	91	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6]C[6]HS)(N[6]S[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(SFOO)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HS)(N[6]S[6]C)(H)2{1|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(SFOO)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6040	0.057	2	109.6040	0.003	2	109.6040	0.003	2	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(CC[6a]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(CC[6a]HH)(H){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.2090	0.006	2	108.2090	0.000	2	108.5664	0.070	8	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.5255	0.091	2	108.5255	0.008	2	108.5664	0.070	8	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.6410	0.020	2	108.6410	0.000	2	108.5664	0.070	8	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]Zn)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]Zn)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|Zn<4>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.8900	0.014	2	108.8900	0.000	2	108.5664	0.070	8	109.0232	1.973	646	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]H)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(CHHO)(OH)	H(C[6]C[6]2Cl)	C[6](C[6]C[6]CO)(C[6]C[6]H)(Cl)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(CHHO)(OH){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2Cl)	106.9040	0.000	1	106.9040	0.000	1	106.9040	0.000	1	108.9815	0.482	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,2|F<1>,3|H<1>}	H(C[6]C[6]2H)	108.9235	0.016	2	108.9235	0.000	2	108.9235	0.000	2	108.9815	0.482	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:S[6]-2:	C[6]-4:	C[6](C[6]C[5]2S[6])(C[6]C[6]C)(H)2	C[6](C[5]C[5]2Fe)2(C[6]C[6]HH)(S[6]C[6])	H(C[6]C[6]2H)	C[6](C[6]C[5]2S[6])(C[6]C[6]C)(H)2{2|Fe<10>,6|C<4>}	C[6](C[5]C[5]2Fe)2(C[6]C[6]HH)(S[6]C[6]){1|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6]2H)	107.4315	0.019	2	107.4315	0.000	2	107.4315	0.000	2	108.9815	0.482	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(CH3)(CN)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CH3)(CN){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2H)	109.0090	0.000	1	109.0090	0.000	1	109.0413	0.032	6	108.9815	0.482	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CH3)(CN)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CH3)(CN){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.0478	0.200	5	109.0478	0.040	5	109.0413	0.032	6	108.9815	0.482	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(OH){1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	107.6995	0.532	2	107.6995	0.284	2	109.0223	0.428	40	108.9815	0.482	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]N)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]N)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	108.7048	0.061	4	108.7048	0.004	4	109.0223	0.428	40	108.9815	0.482	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(CF3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]N)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(CF3)(OH){1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.4545	0.013	2	109.4545	0.000	2	109.0223	0.428	40	108.9815	0.482	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.3870	0.011	2	109.3870	0.000	2	109.0223	0.428	40	108.9815	0.482	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	108.1180	0.016	2	108.1180	0.000	2	109.0223	0.428	40	108.9815	0.482	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH){1|C<4>,2|O<1>}	H(C[6]C[6]2H)	109.6885	0.030	2	109.6885	0.001	2	109.0223	0.428	40	108.9815	0.482	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.2405	0.013	2	109.2405	0.000	2	109.0223	0.428	40	108.9815	0.482	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	108.1765	0.064	2	109.1015	0.345	8	109.0223	0.428	40	108.9815	0.482	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.4098	0.162	6	109.1015	0.345	8	109.0223	0.428	40	108.9815	0.482	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,1|W<7>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|H<1>,1|O<1>,1|W<7>}	H(C[6]C[6]2H)	109.7018	0.115	4	109.7018	0.013	4	109.0223	0.428	40	108.9815	0.482	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CF3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(CF3)(OH){1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.9430	0.023	2	109.3845	0.175	6	109.0223	0.428	40	108.9815	0.482	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CF3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(CF3)(OH){1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.3365	0.005	2	109.3845	0.175	6	109.0223	0.428	40	108.9815	0.482	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CF3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CF3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.8740	0.010	2	109.3845	0.175	6	109.0223	0.428	40	108.9815	0.482	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]O[6]O)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.4405	0.532	4	108.4405	0.283	4	109.0223	0.428	40	108.9815	0.482	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]O[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.6050	0.822	2	108.6050	0.675	2	109.0223	0.428	40	108.9815	0.482	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:2:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[3]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[3]C[6]O)(N[6]C[6]S)(H)2	C[6](C[3]C[3]2H)(C[6]C[6]HH)(C[6]N[6]HH)(OH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[3]C[6]O)(N[6]C[6]S)(H)2{3|C<4>,5|H<1>}	C[6](C[3]C[3]2H)(C[6]C[6]HH)(C[6]N[6]HH)(OH){1|C<4>,1|O<2>,1|S<4>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6385	0.021	2	109.6385	0.000	2	109.6385	0.000	2	108.9815	0.482	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:2:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]CO)(N[6]C[6]C)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(CHHO)(OH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]CO)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(CHHO)(OH){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]N[6]H)	108.7490	0.021	2	108.7490	0.000	2	108.7490	0.000	2	108.9815	0.482	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:2:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(OH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CO)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(OH){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	108.8760	0.037	2	108.8760	0.001	2	109.3898	0.176	6	108.9815	0.482	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:2:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(N[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CH3)(OH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CO)(N[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CH3)(OH){1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.5000	0.027	2	109.5000	0.001	2	109.3898	0.176	6	108.9815	0.482	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:2:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(OH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CO)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(OH){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	H(C[6]C[6]N[6]H)	109.7935	0.045	2	109.7935	0.002	2	109.3898	0.176	6	108.9815	0.482	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	110.0060	0.594	2	110.0060	0.353	2	110.0060	0.353	2	109.6375	2.521	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]Br)(H)2	C[6](C[6]C[6]BrC)(C[6]C[6]HH)(CH3)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]Br)(H)2{1|Br<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]BrC)(C[6]C[6]HH)(CH3)(COO){1|Br<1>,1|C<3>,1|O<1>}	H(C[6]C[6]2H)	108.9305	0.036	2	108.9305	0.001	2	108.9507	0.002	4	109.6375	2.521	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(CC[6]HO)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CC[6]HO)(COO){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.9710	0.045	2	108.9710	0.002	2	108.9507	0.002	4	109.6375	2.521	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)2(CBrHH)(NOO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]O[6]O)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CBrHH)(NOO){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.9910	0.018	2	108.9910	0.000	2	109.2040	0.061	4	109.6375	2.521	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)2(CH3)(NOO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]O[6]O)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(NOO){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.4170	0.033	2	109.4170	0.001	2	109.2040	0.061	4	109.6375	2.521	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:C-3:	C[6]-4:	C[6](C[6]C[6]CS)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CS)(C[6]C[6]H)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)(CCH){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.9685	0.012	2	108.9685	0.000	2	108.9685	0.000	2	109.6375	2.521	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]CC)(N[6]C[6]S)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(CCHH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]CC)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(CCHH)(COO){1|S<4>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	111.4140	4.900	2	111.4140	24.012	2	111.4140	24.012	2	109.6375	2.521	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(N[6]C[6,6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCHH)(CHO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]CC)(N[6]C[6,6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCHH)(CHO){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	110.4020	1.407	2	110.4020	1.980	2	110.4020	1.980	2	109.6375	2.521	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[3,6]CC)(C[6]C[6]H)(H)2	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]CC)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8920	0.000	1	108.8920	0.000	1	108.8920	0.000	1	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[4]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[4]C[6]C)(C[6]C[6]H)(H)2	C[6](C[4]C[4]2H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[4]C[6]C)(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	C[6](C[4]C[4]2H)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2680	0.017	2	109.2680	0.000	2	109.3347	0.006	4	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[4]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[4]C[6]C)(C[6]C[6]O)(H)2	C[6](C[4]C[4]2H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[4]C[6]C)(C[6]C[6]O)(H)2{3|C<4>,5|H<1>}	C[6](C[4]C[4]2H)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4015	0.013	2	109.4015	0.000	2	109.3347	0.006	4	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.7096	0.151	10	108.7096	0.023	10	108.6477	0.107	16	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.2188	0.087	4	108.2188	0.008	4	108.6477	0.107	16	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(CH3){1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.1960	0.083	2	109.1960	0.007	2	108.6477	0.107	16	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:S[6]-4:	C[6]-4:	C[6](C[6]C[5]2S[6])(C[6]C[6]C)(H)2	C[6](C[5]C[5]2Fe)2(C[6]C[6]HH)(S[6]C[6]OO)	H(C[6]C[6]2H)	C[6](C[6]C[5]2S[6])(C[6]C[6]C)(H)2{2|Fe<10>,2|O<1>,6|C<4>}	C[6](C[5]C[5]2Fe)2(C[6]C[6]HH)(S[6]C[6]OO){1|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6]2H)	107.4627	0.104	4	107.4627	0.011	4	107.4627	0.011	4	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5]C[6]C)(C[6]C[6]P[6])(H)2	C[6](C[5]O[5]2C)(C[6]C[6]HH)2(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]C)(C[6]C[6]P[6])(H)2{1|O<1>,2|C<4>,2|H<1>,5|O<2>}	C[6](C[5]O[5]2C)(C[6]C[6]HH)2(CH3){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.1420	0.000	1	108.1420	0.000	1	108.1420	0.000	1	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(CH3){1|B<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.0930	0.000	1	108.0930	0.000	1	108.5783	0.081	9	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.4375	0.028	2	108.4375	0.001	2	108.5783	0.081	9	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.7062	0.236	6	108.7062	0.056	6	108.5783	0.081	9	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	108.4515	0.040	2	108.4515	0.002	2	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.0385	0.045	2	108.0385	0.002	2	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CCHH)(CHHO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CCHH)(CHHO){1|C<3>,1|C<4>}	H(C[6]C[6]2H)	109.1920	0.017	2	109.1920	0.000	2	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	108.4780	0.007	2	108.8314	0.358	123	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	108.6480	0.000	1	108.8314	0.358	123	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	108.6277	0.035	4	108.8314	0.358	123	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{3|C<3>}	H(C[6]C[6]2H)	108.8323	0.591	113	108.8314	0.358	123	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	108.7840	0.000	1	108.8314	0.358	123	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6560	1.643	2	108.8314	0.358	123	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CHHO)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CHHO)2{1|S<4>,2|C<3>}	H(C[6]C[6]2H)	109.6540	0.011	2	108.8362	0.598	6	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CHHO)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(CHHO)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	107.9310	0.014	2	108.8362	0.598	6	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CHHO)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(CHHO)2{1|S<4>,2|C<3>}	H(C[6]C[6]2H)	108.9235	0.019	2	108.8362	0.598	6	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.3042	0.115	4	109.3042	0.013	4	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.1430	0.000	1	109.1430	0.000	1	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.4500	0.413	2	109.4500	0.171	2	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.7365	0.192	15	108.9334	0.390	82	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,1|I<1>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.9535	0.016	2	108.9334	0.390	82	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.9715	0.985	2	108.9334	0.390	82	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.0910	0.021	3	108.9334	0.390	82	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<4>,2|N<2>}	H(C[6]C[6]2H)	109.0978	0.415	4	108.9334	0.390	82	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.0723	0.862	31	108.9334	0.390	82	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<4>,1|N<2>,2|C<3>}	H(C[6]C[6]2H)	109.5865	0.026	2	108.9334	0.390	82	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.6765	0.251	23	108.9334	0.390	82	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<4>,1|N<3>,1|W<7>,2|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|W<7>}	H(C[6]C[6]2H)	109.6235	0.029	2	109.6235	0.001	2	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.9793	0.233	3	108.9793	0.054	3	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.7390	0.007	2	108.7047	0.009	9	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	108.6949	0.104	7	108.7047	0.009	9	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(CH3){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.4375	0.552	2	109.4375	0.305	2	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<4>,2|O<1>}	H(C[6]C[6]2H)	109.5507	0.274	4	108.7871	0.728	504	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	108.9810	0.042	2	108.7871	0.728	504	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.7647	0.301	15	108.7871	0.728	504	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.7247	0.521	220	108.7871	0.728	504	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,2|O<1>}	H(C[6]C[6]2H)	109.9447	2.169	4	108.7871	0.728	504	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|I<1>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.5235	0.018	2	108.7871	0.728	504	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|I<2>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.6809	0.222	9	108.7871	0.728	504	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|I<2>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,2|O<1>}	H(C[6]C[6]2H)	107.9335	0.987	4	108.7871	0.728	504	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.3190	2.571	2	108.7871	0.728	504	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.3995	0.150	4	108.7871	0.728	504	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,2|O<1>}	H(C[6]C[6]2H)	109.2381	2.545	23	108.7871	0.728	504	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	110.1285	2.732	2	108.7871	0.728	504	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.5737	0.181	4	108.7871	0.728	504	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.7003	0.038	4	108.7871	0.728	504	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	108.8912	0.092	6	108.7871	0.728	504	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.8232	0.790	31	108.7871	0.728	504	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.8137	0.500	33	108.7871	0.728	504	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	108.9412	0.061	4	108.7871	0.728	504	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<4>,2|O<1>}	H(C[6]C[6]2H)	109.0776	0.081	7	108.7871	0.728	504	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.8513	0.049	3	108.7871	0.728	504	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<4>,2|O<1>}	H(C[6]C[6]2H)	109.2540	0.280	4	108.7871	0.728	504	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|Ru<10>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|Ru<10>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	114.3625	1.600	2	108.7871	0.728	504	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	109.0935	0.006	2	108.7871	0.728	504	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.6648	0.387	22	108.7871	0.728	504	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.7296	0.190	15	108.7871	0.728	504	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,2|O<1>}	H(C[6]C[6]2H)	108.4820	0.260	62	108.7871	0.728	504	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<4>,2|O<1>}	H(C[6]C[6]2H)	108.5962	0.179	4	108.7871	0.728	504	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.3470	0.130	3	108.7871	0.728	504	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<4>,2|O<1>}	H(C[6]C[6]2H)	109.0689	0.128	7	108.7871	0.728	504	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(CHHO)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(CHHO)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	108.3940	0.000	1	108.3940	0.000	1	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]S)(H)2	C[6](C[6]C[6]HH)2(CHHO)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CHHO)2{1|S<4>,2|C<3>}	H(C[6]C[6]2H)	108.8860	0.007	2	108.9215	0.002	4	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]S)(H)2	C[6](C[6]C[6]HH)2(CHHO)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]S)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(CHHO)2{1|S<4>,2|C<3>}	H(C[6]C[6]2H)	108.9570	0.007	2	108.9215	0.002	4	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]N[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]N[6]C)(H)2{1|C<2>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.9125	0.011	2	108.9125	0.000	2	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.6040	0.028	2	108.6040	0.001	2	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)2(CCHH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(CH3){1|N<3>,2|O<1>}	H(C[6]C[6]2H)	108.6313	0.018	3	108.6313	0.000	3	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|N<3>,2|O<1>}	H(C[6]C[6]2H)	108.5753	0.149	3	108.5753	0.022	3	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]O[6]O)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.5845	0.015	2	108.5845	0.000	2	108.8153	0.596	761	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-4:C-4:	C[6]-4:	C[6](C[6]C[6]CP)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(PC[6a]2O)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CP)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6a]2O)(CH3){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.0555	0.033	2	109.0555	0.001	2	109.0555	0.001	2	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.8231	1.354	18	108.8231	1.834	18	108.8231	1.834	18	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	P[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2	C[6](P[6]C[6]PdC)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2{1|Pd<4>,2|C<4>,2|H<1>}	C[6](P[6]C[6]PdC)(C[6]C[6]HH)(CH3)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.8219	1.063	16	108.8219	1.131	16	108.6077	1.016	26	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	P[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2	C[6](P[6]C[6a]C[6]Pd)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2{1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	C[6](P[6]C[6a]C[6]Pd)(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.3953	0.075	4	108.3953	0.006	4	108.6077	1.016	26	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	P[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2	C[6](P[6]C[6a]C[6]Pt)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2{1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](P[6]C[6a]C[6]Pt)(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	106.7290	0.017	2	108.1780	1.282	6	108.6077	1.016	26	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	P[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2	C[6](P[6]C[6a]C[6]Pt)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2{1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	C[6](P[6]C[6a]C[6]Pt)(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.9025	0.193	4	108.1780	1.282	6	108.6077	1.016	26	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[3,6]CC)(N[6]C[6,6a]S)(H)2	C[6](C[3,6]C[6,6a]C[3]N[3])(C[6]N[6]HH)(CCHH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[3,6]CC)(N[6]C[6,6a]S)(H)2{1|N<2>,3|C<3>}	C[6](C[3,6]C[6,6a]C[3]N[3])(C[6]N[6]HH)(CCHH)(CH3){1|S<4>,3|C<3>}	H(C[6]C[6]N[6]H)	109.5025	0.029	2	109.5025	0.001	2	109.5025	0.001	2	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(N[6]C[6,6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCHH)(CHHO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]CC)(N[6]C[6,6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCHH)(CHHO){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	107.5480	0.081	2	107.5480	0.006	2	107.5480	0.006	2	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)2(CH3)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)2(CH3)2{1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.0970	0.023	2	109.1059	0.476	8	109.3351	0.273	96	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)2(CH3)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2{1|C<3>,1|N<4>,3|H<1>}	C[6](C[6]N[6]HH)2(CH3)2{1|Re<6>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	108.1100	0.010	2	109.1059	0.476	8	109.3351	0.273	96	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)2(CH3)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2{1|Pd<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(CH3)2{1|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.6082	0.336	4	109.1059	0.476	8	109.3351	0.273	96	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)2(CHHN)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)2(CHHN)(CH3){3|C<4>}	H(C[6]C[6]N[6]H)	109.2220	0.270	4	109.2220	0.073	4	109.3351	0.273	96	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)2(CCHH)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(CCHH)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4720	0.119	46	109.4720	0.014	46	109.3351	0.273	96	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)2(CH3)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)2(CH3)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2083	0.465	4	109.3266	0.923	14	109.3351	0.273	96	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)2(CH3)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)2(CH3)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.1107	1.510	4	109.3266	0.923	14	109.3351	0.273	96	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)2(CH3)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)2(CH3)2{1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	108.7415	0.039	2	109.3266	0.923	14	109.3351	0.273	96	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)2(CH3)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)2(CH3)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.9535	0.498	4	109.3266	0.923	14	109.3351	0.273	96	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	H(C[6]C[6]N[6]H)	109.5580	0.058	2	109.5580	0.003	2	109.3351	0.273	96	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.1160	0.035	3	109.2015	0.030	4	109.3351	0.273	96	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	H(C[6]C[6]N[6]H)	109.4580	0.000	1	109.2015	0.030	4	109.3351	0.273	96	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN)(CH3){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7365	0.009	2	109.7365	0.000	2	109.3351	0.273	96	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]P[6]H)(H)2	C[6](C[6]N[6]HH)2(CH3)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]P[6]H)(H)2{1|O<1>,2|H<1>,2|N<3>}	C[6](C[6]N[6]HH)2(CH3)2{1|P<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.0473	0.656	16	109.0473	0.431	16	109.3351	0.273	96	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	4:4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]N[6]CC)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CHHN)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CC)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CHHN)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.6010	0.352	2	108.6010	0.124	2	108.6010	0.124	2	108.8522	0.613	944	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:1:1:	6:4:1:1:	4:	C[6]-4:C[6,6a]-3:H-1:H-1:	C[5x3,5x5,21x6]-6:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6,6a]C[6,6a]C[6a])(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<6>,1|H<1>,2|C<3>,4|B<6>}	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6,6a]HH)(H)2{2|C<3>,4|H<1>,5|B<6>}	H(C[6]C[6,6a]C[6]H)	108.7520	0.000	1	108.7520	0.000	1	108.7520	0.000	1	108.7520	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:2:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(OC)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(OC)(H){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2O)	110.2620	0.000	1	110.2620	0.000	1	108.8849	0.514	8	108.8849	0.514	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:2:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(OH)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(OH)(H){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2O)	108.6881	0.489	7	108.6881	0.239	7	108.8849	0.514	8	108.8849	0.514	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:C-2:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(CN)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(CN)(H){1|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	H(C[6]C[6]2C)	106.7200	0.301	2	106.7200	0.091	2	106.7200	0.091	2	108.1886	1.914	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]H)(OC)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]H)(OC)(H){1|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|O<2>,3|H<1>,5|C<3>}	H(C[6]C[6]2O)	109.6330	0.000	1	109.6330	0.000	1	109.6330	0.000	1	108.1886	1.914	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(OH)(H){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[6]C[6]2O)	108.7750	0.000	1	108.7750	0.000	1	108.7750	0.000	1	108.1886	1.914	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(OH)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(OH)(H){1|C<4>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[6]C[6]2O)	109.0950	0.000	1	109.0950	0.000	1	109.0950	0.000	1	108.1886	1.914	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:3:4:4:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HO)(CH3)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(OC)(H){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HO)(CH3){1|O<2>,3|H<1>,5|C<3>}	H(C[6]C[6]N[6]O)	109.1150	0.000	1	109.1150	0.000	1	108.8550	0.135	2	107.7343	3.835	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:3:4:4:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HO)(CH3)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(OH)(H){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HO)(CH3){1|O<2>,3|H<1>,5|C<3>}	H(C[6]C[6]N[6]O)	108.5950	0.000	1	108.5950	0.000	1	108.8550	0.135	2	107.7343	3.835	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:3:4:4:	4:	C[6]-4:N[6]-3:S-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]C)(SC[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HS)(CCHH)	H(C[6]C[6]N[6]S)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]C)(SC[6a])(H){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HS)(CCHH){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6]N[6]S)	105.4930	0.000	1	105.4930	0.000	1	105.4930	0.000	1	107.7343	3.835	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:1:1:	4:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[5a]O[6]H)(H)2	H(C[6]C[5a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[5a]O[6]H)(H)2{3|C<3>,4|C<4>}	H(C[6]C[5a]C[6]O[6])	108.7260	0.000	1	108.7260	0.000	1	108.7260	0.000	1	108.7694	0.556	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	109.4980	0.000	1	109.4980	0.000	1	109.0415	0.417	2	108.7694	0.556	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(OH)(H)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(OH)(H){1|C<4>,2|C<3>}	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]HO)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(C[6]C[6]2O)	108.5850	0.000	1	108.5850	0.000	1	109.0415	0.417	2	108.7694	0.556	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(OH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2O)	108.5940	0.000	1	108.5940	0.000	1	108.5940	0.000	1	108.7694	0.556	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:1:1:	4:	C[6]-4:C[6a]-3:N[6]-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6])(H){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(H)2{5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7030	0.000	1	107.7030	0.000	1	107.7030	0.000	1	108.7694	0.556	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:1:1:	4:	C[6]-4:C[6a]-3:N[6]-2:H-1:	C[6,6a]-3:C[6]-4:H-1:O-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]S[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)(O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]S[6])(H){2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)(O){1|H<1>,1|S<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.3640	0.000	1	107.3640	0.000	1	107.3640	0.000	1	108.7694	0.556	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:1:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]O[6]H)(H)2{1|C<4>,1|S<4>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.7360	0.000	2	108.7360	0.000	2	108.9180	0.044	4	108.7694	0.556	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:1:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]O[6]H)(H)2{1|C<4>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	109.1000	0.000	2	109.1000	0.000	2	108.9180	0.044	4	108.7694	0.556	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:1:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6]H)(H)2{1|B<4>,1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.7400	0.784	3	108.7065	0.414	4	108.7065	0.414	4	108.7694	0.556	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:1:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H){1|N<3>,2|H<1>,5|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6]H)(H)2{1|B<4>,1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.6060	0.000	1	108.7065	0.414	4	108.7065	0.414	4	108.7694	0.556	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:1:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]BrH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(Br)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6a]BrH)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(Br)(H){1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	108.6570	0.000	1	108.6570	0.000	1	108.6570	0.000	1	108.7694	0.556	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:1:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]ClH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(Cl)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6a]ClH)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(Cl)(H){1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	109.4490	0.000	1	109.4490	0.000	1	109.4490	0.000	1	108.7694	0.556	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:1:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	109.9640	0.000	1	109.9640	0.000	1	109.9640	0.000	1	108.7694	0.556	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:1:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]N[5,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H){2|C<4>,2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]O[6]H)(H)2{1|B<4>,1|C<4>,1|N<3>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	108.7670	0.000	1	108.7670	0.000	1	108.7670	0.000	1	108.7694	0.556	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:1:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|N<2>,3|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6a]O[6]H)(H)2{1|C<4>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.9930	0.000	1	108.9930	0.000	1	109.1825	0.072	2	108.7694	0.556	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:1:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){3|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]O[6]H)(H)2{1|C<4>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	109.3720	0.000	1	109.3720	0.000	1	109.1825	0.072	2	108.7694	0.556	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:1:1:	4:	C[6]-4:C[6a]-3:S[6]-2:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(S[6]C[6])(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]S[6]H)(H)2	H(C[6]C[6a]C[6]S[6])	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(S[6]C[6])(H){3|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]S[6]H)(H)2{1|C<4>,5|C<3>}	H(C[6]C[6a]C[6]S[6])	108.1740	0.000	1	108.1740	0.000	1	108.1740	0.000	1	108.7694	0.556	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:C-2:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(CN)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(CN)(H){1|C<4>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>}	H(C[6]C[6]N[6]C)	106.8990	0.000	1	106.8990	0.000	1	106.8990	0.000	1	108.7694	0.556	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6,6a]FF)(N[6]C[6]H)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HO)(F)2	H(C[6]C[6]N[6]O)	C[6](C[6]C[6,6a]FF)(N[6]C[6]H)(OC)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HO)(F)2{2|H<1>,3|C<3>}	H(C[6]C[6]N[6]O)	109.6115	0.090	2	109.6115	0.008	2	109.6115	0.008	2	108.7694	0.556	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<3>}	H(C[6]C[6]2O)	109.6020	0.000	1	109.6020	0.000	1	109.4370	0.106	7	109.3681	0.104	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OSi)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OSi)(H){1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2O)	108.9050	0.000	1	108.9050	0.000	1	109.4370	0.106	7	109.3681	0.104	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC[6a])(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<3>}	H(C[6]C[6]2O)	109.3120	0.053	3	109.3120	0.003	3	109.4370	0.106	7	109.3681	0.104	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<3>}	H(C[6]C[6]2O)	109.7920	0.000	1	109.7920	0.000	1	109.4370	0.106	7	109.3681	0.104	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]I)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HO)(C[6]C[6]I)(OC)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OC)(H){1|I<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2O)	109.8240	0.000	1	109.8240	0.000	1	109.4370	0.106	7	109.3681	0.104	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:2:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(OH)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(O[6]C[6])(H){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(OH)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	109.1270	0.206	2	109.1270	0.043	2	109.1270	0.043	2	109.3681	0.104	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:2:2:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6]C[6,6a]OO)(C[6]C[6]C)(OC)(H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HO)(OC)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]OO)(C[6]C[6]C)(OC)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HO)(OC)2{4|C<3>}	H(C[6]C[6]2O)	109.3990	0.000	1	109.3990	0.000	1	109.3990	0.000	1	109.3990	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:2:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:S-2:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CS)(C[6]C[6]H)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(SC[6a])(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]CS)(C[6]C[6]H)(OC)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(SC[6a])(CH3){2|H<1>,3|C<3>}	H(C[6]C[6]2O)	108.9730	0.000	1	108.9730	0.000	1	108.9730	0.000	1	108.9730	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-2:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CN)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CN)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	97.1239	0.000	1	97.1239	0.000	1	97.1239	0.000	1	106.7221	8.109	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]C)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]CH)(C[6]C[6]C)(OH)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2O)	107.0295	0.011	2	107.0295	0.000	2	107.0295	0.000	2	106.7221	8.109	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(OC)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NCH)(H){2|H<1>,3|C<3>}	H(C[6]C[6]2O)	109.4470	0.000	1	109.4470	0.000	1	109.4470	0.000	1	106.7221	8.109	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:S-2:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(SC[6a])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]H)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(SC[6a])(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]H)(H){1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2S)	106.0813	0.455	3	106.0813	0.207	3	106.0813	0.207	3	106.7221	8.109	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:3:1:	4:	C[6]-4:C[6a]-3:N[6]-2:H-1:	N[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]N[6]H)(CC[6a]O)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(N[6]C[6])(H){3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]N[6]H)(CC[6a]O)(H){1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	106.7600	0.000	1	106.7600	0.000	1	106.7600	0.000	1	106.7221	8.109	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:3:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){3|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	H(C[6]C[6a]C[6]O[6])	107.4965	0.196	2	107.0247	0.687	3	107.7705	1.067	6	106.7221	8.109	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:3:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	H(C[6]C[6a]C[6]O[6])	106.0810	0.000	1	107.0247	0.687	3	107.7705	1.067	6	106.7221	8.109	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:3:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H){2|H<1>,7|C<3>}	H(C[6]C[6a]C[6]O[6])	108.5163	0.559	3	108.5163	0.312	3	107.7705	1.067	6	106.7221	8.109	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:3:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(N[6]C[6]2)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(N[6]C[6]2)(H){2|C<4>,5|C<3>,5|H<1>}	H(C[6]C[6a]C[6]O[6])	109.4650	0.000	1	109.4650	0.000	1	109.4650	0.000	1	106.7221	8.109	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:3:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	N[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]N[5a,6]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]N[5a,6]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|N<2>,4|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	105.8320	0.000	1	105.8320	0.000	1	105.8320	0.000	1	106.7221	8.109	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:3:2:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO)(OH){2|H<1>,3|C<3>}	H(C[6]C[6]2O)	107.4930	0.000	1	107.4930	0.000	1	107.4930	0.000	1	107.4930	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:C-2:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CN)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2C)	106.4800	0.000	1	106.4800	0.000	1	106.4800	0.000	1	107.8218	1.134	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:C-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CN)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CN)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2C)	106.9060	0.000	1	106.9060	0.000	1	106.9060	0.000	1	107.8218	1.134	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2O)	108.5870	0.000	1	108.5870	0.000	1	108.5870	0.000	1	107.8218	1.134	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O[6]H)(C[6]C[6]2H)(H)	H(C[6]C[6]2O[6])	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(O[6]C[6])(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O[6]H)(C[6]C[6]2H)(H){2|C<3>,2|H<1>,2|O<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2O[6])	107.6640	0.000	1	107.6640	0.000	1	107.5875	0.012	2	107.8218	1.134	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O[6]H)(C[6]C[6]CH)(H)	H(C[6]C[6]2O[6])	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(O[6]C[6])(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O[6]H)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,2|C<3>,2|O<1>,2|O<2>}	H(C[6]C[6]2O[6])	107.5110	0.000	1	107.5110	0.000	1	107.5875	0.012	2	107.8218	1.134	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:4:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H){1|O<2>,2|H<1>,8|C<3>}	H(C[6]C[6a]C[6]O[6])	106.9322	0.234	5	106.9257	0.044	6	106.9257	0.044	6	107.8218	1.134	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:4:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,5|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	H(C[6]C[6a]C[6]O[6])	106.8930	0.000	1	106.9257	0.044	6	106.9257	0.044	6	107.8218	1.134	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:4:1:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]S)(OH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HO)(H)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]S)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HO)(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]O)	109.6620	0.000	1	109.6620	0.000	1	109.6620	0.000	1	107.8218	1.134	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:4:1:	4:	C[6]-4:N[6]-3:O-2:H-1:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[5a,6]CH)(N[6]C[6]H)(OC)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CCHH)(H)	H(C[6]C[6]N[6]O)	C[6](C[6]N[5a,6]CH)(N[6]C[6]H)(OC)(H){1|O<1>,2|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CCHH)(H){1|Br<1>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]O)	108.9040	0.225	2	108.8120	0.029	4	108.9214	0.081	5	107.8218	1.134	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:4:1:	4:	C[6]-4:N[6]-3:O-2:H-1:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[5a,6]CH)(N[6]C[6]H)(OC)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CCHH)(H)	H(C[6]C[6]N[6]O)	C[6](C[6]N[5a,6]CH)(N[6]C[6]H)(OC)(H){1|O<1>,2|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CCHH)(H){2|H<1>,3|C<3>}	H(C[6]C[6]N[6]O)	108.7200	0.041	2	108.8120	0.029	4	108.9214	0.081	5	107.8218	1.134	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:4:1:	4:	C[6]-4:N[6]-3:O-2:H-1:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[5a,6]CH)(N[6]C[6]H)(OC)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CC[5a]HH)(H)	H(C[6]C[6]N[6]O)	C[6](C[6]N[5a,6]CH)(N[6]C[6]H)(OC)(H){1|O<1>,2|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CC[5a]HH)(H){1|Br<1>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]O)	109.3590	0.000	1	109.3590	0.000	1	108.9214	0.081	5	107.8218	1.134	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:4:2:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]C)(OH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OC)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]C)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2O)	104.9780	0.000	1	104.9780	0.000	1	107.6675	14.467	2	107.8960	7.390	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:4:2:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(OC)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HO)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HO)(OH){4|C<3>,4|H<1>}	H(C[6]C[6]2O)	110.3570	0.000	1	110.3570	0.000	1	107.6675	14.467	2	107.8960	7.390	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:4:2:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[5a]-3:C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[5a]C[6]C)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[5a]N[5a]S[5a])(C[6]C[6a]O[6]H)(C[6]C[6]HH)(CN)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[5a]C[6]C)(C[6a]C[6a]2)(O[6]C[6])(H){1|N<2>,1|S<2>,3|C<3>,6|H<1>}	C[6](C[5a]N[5a]S[5a])(C[6]C[6a]O[6]H)(C[6]C[6]HH)(CN){1|C<4>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	108.3530	0.000	1	108.3530	0.000	1	108.3530	0.000	1	107.8960	7.390	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCHN)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(OH)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCHN)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2O)	107.1410	0.287	2	107.1410	0.082	2	107.1410	0.082	2	107.5360	0.509	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	3:4:4:4:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CHHI)(CH3)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(O[6]C[6])(H){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CHHI)(CH3){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.3260	0.000	1	108.3260	0.000	1	108.3260	0.000	1	107.5360	0.509	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]2O)	C[6](C[6]O[6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	107.3045	0.411	2	107.3045	0.169	2	107.3045	0.169	2	107.3045	0.169	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:2:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCC)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H){2|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCC)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2O)	109.4300	0.000	1	109.4300	0.000	1	109.1695	0.136	2	109.1695	0.136	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:2:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCH)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCH)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2O)	108.9090	0.000	1	108.9090	0.000	1	109.1695	0.136	2	109.1695	0.136	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]C[6]C)(OH)(H){1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.5100	0.000	1	108.5100	0.000	1	109.5428	1.626	13	109.5428	1.626	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.8460	0.000	1	110.8460	0.000	1	109.5428	1.626	13	109.5428	1.626	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2O)	110.7120	0.000	1	110.3208	0.345	5	109.5428	1.626	13	109.5428	1.626	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2O)	110.6570	0.000	1	110.3208	0.345	5	109.5428	1.626	13	109.5428	1.626	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2O)	110.4680	0.168	2	110.3208	0.345	5	109.5428	1.626	13	109.5428	1.626	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,1|N<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.2990	0.000	1	110.3208	0.345	5	109.5428	1.626	13	109.5428	1.626	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC[6a])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC[6a])(H){1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.1610	0.000	2	110.1610	0.000	2	109.5428	1.626	13	109.5428	1.626	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H){1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	106.9430	0.000	1	106.9430	0.000	1	109.5428	1.626	13	109.5428	1.626	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2O)	109.3090	0.000	1	108.3565	1.815	2	109.5428	1.626	13	109.5428	1.626	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H){1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2O)	107.4040	0.000	1	108.3565	1.815	2	109.5428	1.626	13	109.5428	1.626	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]N)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]C[6]N)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[6]C[6]2O)	109.1180	0.000	1	109.1180	0.000	1	109.5428	1.626	13	109.5428	1.626	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:2:4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]O[6]CC)(C[6]N[6]C)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)2	H(C[6]C[6]2O)	C[6](C[6]O[6]CC)(C[6]N[6]C)(OC)(H){1|C<4>,1|O<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2O)	108.7780	0.000	1	108.7780	0.000	1	108.7780	0.000	1	108.7780	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|N<3>,2|C<3>}	H(C[6]C[6]2O)	109.6340	0.000	1	109.6340	0.000	1	109.6340	0.000	1	109.5066	1.863	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC)(H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]N[6]C)	108.2230	0.352	2	108.2230	0.124	2	108.2230	0.124	2	109.5066	1.863	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6]-3:Cl-1:Cl-1:	C[6]-4:	C[6](C[6]C[6]Cl2)(N[6]C[6]H)(OH)(H)	C[6](C[6]N[6]HO)(C[6]N[6]O)(Cl)2	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]Cl2)(N[6]C[6]H)(OH)(H){1|N<3>,2|O<1>}	C[6](C[6]N[6]HO)(C[6]N[6]O)(Cl)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6]O)	110.0050	0.000	1	110.0050	0.000	1	110.0050	0.000	1	109.5066	1.863	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(OH)(H)	C[6](C[6]N[6]HO)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]O)	C[6](C[6]N[6]HH)(N[6]C[6]C)(OH)(H){1|H<1>,2|C<3>}	C[6](C[6]N[6]HO)(N[6]C[6]C)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]N[6]O)	111.4480	0.000	1	111.4480	0.000	1	111.4480	0.000	1	109.5066	1.863	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]2)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]2)(OH)(H){1|C<3>,1|S<2>,1|S<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2O)	107.8190	0.000	1	107.8190	0.000	1	107.1486	3.780	8	108.0424	3.265	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2O)	109.2590	0.000	1	109.2590	0.000	1	107.1486	3.780	8	108.0424	3.265	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]2)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]2)(OH)(H){1|C<3>,1|S<2>,1|S<3>,3|H<1>}	H(C[6]C[6]2O)	107.0090	0.000	1	107.0090	0.000	1	107.1486	3.780	8	108.0424	3.265	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,2|H<1>}	H(C[6]C[6]2O)	103.1120	0.000	1	103.1120	0.000	1	107.1486	3.780	8	108.0424	3.265	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]S)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|H<1>,1|S<3>}	C[6](C[6]C[6]HO)(C[6]C[6]S)(OH)(H){1|C<3>,2|H<1>}	H(C[6]C[6]2O)	106.9930	1.896	2	106.9930	3.597	2	107.1486	3.780	8	108.0424	3.265	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]S)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]S)(OH)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|H<1>,1|S<3>}	H(C[6]C[6]2O)	108.0020	0.373	2	108.0020	0.139	2	107.1486	3.780	8	108.0424	3.265	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:3:2:1:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]N[6]HO)(N[6]C[6]C)(OC)(H)	C[6](C[6]N[6]HO)(N[6]C[6]C)(OC)(H)	H(C[6]C[6]N[6]O)	C[6](C[6]N[6]HO)(N[6]C[6]C)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]N[6]HO)(N[6]C[6]C)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6]O)	109.0580	0.395	4	109.0580	0.156	4	109.2340	0.216	6	108.0424	3.265	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:3:2:1:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]N[6]HO)(N[6]C[6]H)(OO)(H)	C[6](C[6]N[6]HO)(N[6]C[6]H)(OO)(H)	H(C[6]C[6]N[6]O)	C[6](C[6]N[6]HO)(N[6]C[6]H)(OO)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]N[6]HO)(N[6]C[6]H)(OO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]O)	109.5860	0.494	2	109.5860	0.244	2	109.2340	0.216	6	108.0424	3.265	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:3:3:1:	4:	C[6]-4:C[6]-3:C-2:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CN)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCH)(H){1|Cl<1>,1|C<4>,2|C<3>}	H(C[6]C[6]2C)	107.1410	0.000	1	107.1410	0.000	1	107.1410	0.000	1	108.0396	0.471	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:3:3:1:	4:	C[6]-4:C[6]-3:N[6]-2:H-1:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)(C[6]N[6]O)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)(C[6]N[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2N[6])	107.4830	0.000	1	107.4830	0.000	1	107.4830	0.000	1	108.0396	0.471	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:C[6a]-3:F-1:	C[6]-4:	C[6](C[6]C[6a]C[6]F)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(F)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6a]C[6]F)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|O<1>,2|H<1>,6|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(F){2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]O[6])	107.7590	0.000	1	107.7590	0.000	1	107.7590	0.000	1	108.0396	0.471	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]O[6])	108.7550	0.000	1	108.7550	0.000	1	108.9075	0.047	2	108.0396	0.471	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){4|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	109.0600	0.000	1	109.0600	0.000	1	108.9075	0.047	2	108.0396	0.471	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	107.8410	0.000	1	107.8410	0.000	1	107.8410	0.000	1	108.0396	0.471	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){3|H<1>,6|C<3>}	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]O[6])	108.2380	0.000	1	108.2380	0.000	1	108.2380	0.000	1	108.0396	0.471	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:C-2:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]C)(CN)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]C)(CN)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,2|C<2>,2|H<1>,5|C<3>}	H(C[6]C[6]2C)	106.9620	0.000	1	106.9620	0.000	1	106.9620	0.000	1	108.1813	1.167	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(OH)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(OH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2O)	108.8885	0.326	2	108.8885	0.106	2	108.6547	0.217	3	108.1813	1.167	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(OH)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(OH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2O)	108.1870	0.000	1	108.1870	0.000	1	108.6547	0.217	3	108.1813	1.167	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]O)(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]N[6]CH)(C[6]C[6]H)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(N[6]C[6]O)(CHHO)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2O)	107.5430	0.252	2	107.5430	0.063	2	107.5430	0.063	2	108.1813	1.167	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:3:4:1:	4:	C[6]-4:C[6a]-3:N[6]-2:H-1:	C[6]-4:C[6]-3:C-4:Cl-1:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(Cl)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6]ClC)(C[6a]C[6a]2)(N[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(Cl){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	107.2430	0.000	1	107.2430	0.000	1	107.2430	0.000	1	108.1813	1.167	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:3:4:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	107.6860	0.000	1	107.6860	0.000	1	107.9470	0.136	2	108.1813	1.167	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:3:4:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.2080	0.000	1	108.2080	0.000	1	107.9470	0.136	2	108.1813	1.167	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:C-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(CN)(H)	C[6](C[6]N[6]CH)(C[6]C[6]W)(CC3)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CN)(H){1|C<4>,1|W<7>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]W)(CC3)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]C)	106.9120	0.000	1	106.9120	0.000	1	106.9120	0.000	1	108.1813	1.167	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(OH)(H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]HO)(H)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(OH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]HO)(H){2|H<1>,5|C<3>}	H(C[6]C[6]N[6]O)	110.8510	0.000	1	110.8510	0.000	1	109.4320	1.550	3	108.1813	1.167	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(OC)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]HO)(H)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(OC)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]HO)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	H(C[6]C[6]N[6]O)	108.7225	0.281	2	108.7225	0.079	2	109.4320	1.550	3	108.1813	1.167	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:3:4:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(COO)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(O[6]C[6])(H){5|C<3>,6|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(COO){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	109.2770	0.000	1	109.2770	0.000	1	109.2770	0.000	1	109.2770	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:3:4:4:	4:	C[6]-4:C[6]-3:C-2:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]N[6]O)(CN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]N[6]O)(CN)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)2{1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6]2C)	106.8380	0.000	1	106.8380	0.000	1	106.8380	0.000	1	107.8605	2.091	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:3:4:4:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]C)(OH)(H)	C[6](C[6]N[6]HO)(C[6]N[6]O)(CCHH)2	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]CC)(N[6]C[6]C)(OH)(H){1|N<3>,2|O<1>}	C[6](C[6]N[6]HO)(C[6]N[6]O)(CCHH)2{1|C<3>,2|C<4>}	H(C[6]C[6]N[6]O)	108.8830	0.000	1	108.8830	0.000	1	108.8830	0.000	1	107.8605	2.091	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a]O[6]H)(H)2	H(C[6]C[5a]C[6]O[6])	C[6](C[6]C[5,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a]O[6]H)(H)2{2|C<4>,5|C<3>}	H(C[6]C[5a]C[6]O[6])	108.9710	0.000	1	108.9710	0.000	1	108.9710	0.000	1	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6,6])(H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[5a]O[6]H)(H)2	H(C[6]C[5a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6,6])(H){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[5a]O[6]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5a]C[6]O[6])	108.9210	0.000	1	108.9210	0.000	1	108.7714	0.397	16	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5a]O[6]H)(H)2	H(C[6]C[5a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5a]O[6]H)(H)2{2|O<2>,3|C<3>,3|C<4>}	H(C[6]C[5a]C[6]O[6])	108.5420	0.000	1	108.5420	0.000	1	108.7714	0.397	16	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[5a]O[6]H)(H)2	H(C[6]C[5a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[5a]O[6]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[5a]C[6]O[6])	109.3260	0.000	1	109.3260	0.000	1	108.7714	0.397	16	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5a]O[6]H)(H)2	H(C[6]C[5a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5a]O[6]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[5a]C[6]O[6])	108.2240	0.058	2	108.2240	0.003	2	108.7714	0.397	16	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6]H)(H)2	H(C[6]C[5a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6]H)(H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5a]C[6]O[6])	108.6690	0.880	5	108.8166	0.547	10	108.7714	0.397	16	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6]H)(H)2	H(C[6]C[5a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5a]C[6]O[6])	109.5290	0.557	2	108.8166	0.547	10	108.7714	0.397	16	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6]H)(H)2	H(C[6]C[5a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[5a]C[6]O[6])	108.5877	0.343	3	108.8166	0.547	10	108.7714	0.397	16	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]O[6]H)(H)2	H(C[6]C[5a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]O[6]H)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6]C[5a]C[6]O[6])	108.9400	0.000	1	108.9400	0.000	1	108.7714	0.397	16	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CN)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CN)(H){1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	108.3970	0.000	1	108.3970	0.000	1	108.3970	0.000	1	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CN)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CN)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.5890	0.000	1	108.5890	0.000	1	108.5890	0.000	1	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2C)	110.6590	0.000	1	110.6590	0.000	1	110.6590	0.000	1	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:Ge-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(GeN)(H)	C[6](C[6]C[6]GeH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2Ge)	C[6](C[6]C[6]HH)(C[6]C[6]H)(GeN)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]GeH)(C[6]C[6]HH)(H)2{1|Ge<2>,1|C<3>,2|H<1>}	H(C[6]C[6]2Ge)	110.1660	0.936	2	110.1660	0.876	2	110.1660	0.876	2	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a])(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2N)	107.3440	0.000	1	107.3440	0.000	1	101.9217	89.248	3	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(NMn)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]N)(NMn)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2N)	91.0132	0.000	1	91.0132	0.000	1	101.9217	89.248	3	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(NC)(H)	C[6](C[6]C[6]HN)(C[6]S[6]HH)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]N[6]O)(NC)(H){1|S<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]S[6]HH)(H)2{1|C<4>,1|N<2>,2|O<1>}	H(C[6]C[6]2N)	107.4080	0.000	1	107.4080	0.000	1	101.9217	89.248	3	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(OH)(H){1|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[6]2O)	108.4540	0.000	1	108.4540	0.000	1	108.4540	0.000	1	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(OH)(H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2O)	107.6960	0.000	1	107.6960	0.000	1	107.6960	0.000	1	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]BrH)(C[6]C[6]H)(OH)(H)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HO)(Br)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6,6]BrH)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HO)(Br)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6]2O)	107.9220	0.000	1	107.9220	0.000	1	107.9220	0.000	1	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(OC)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6]2O)	109.2510	0.104	3	109.2510	0.011	3	108.7807	0.625	8	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|N<4>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2O)	107.7080	0.277	2	107.7080	0.077	2	108.7807	0.625	8	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(OSi)(H)	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(OSi)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]2O)	109.8920	0.000	1	109.8920	0.000	1	108.7807	0.625	8	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(OC)(H)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(OC)(H){4|C<4>}	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HO)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2O)	108.5925	0.090	2	108.5925	0.008	2	108.7807	0.625	8	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[5,6]FF)(C[6]C[6]Br)(OH)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(F)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]FF)(C[6]C[6]Br)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(F)2{1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2O)	108.8300	0.150	2	108.8300	0.022	2	109.0193	0.119	3	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[5,6]FF)(C[6]C[6]H)(OH)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(F)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]FF)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(F)2{1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2O)	109.3980	0.000	1	109.3980	0.000	1	109.0193	0.119	3	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(OH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.5560	0.000	1	109.5560	0.000	1	109.0462	1.413	17	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(OC)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[6]2O)	108.8760	0.000	2	108.8760	0.000	2	109.0462	1.413	17	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HO)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2O)	109.0190	0.000	1	108.8155	0.083	2	109.0462	1.413	17	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,1|N<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2O)	108.6120	0.000	1	108.8155	0.083	2	109.0462	1.413	17	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]HO)(H)2{1|H<1>,1|S<2>,1|S<4>,2|C<4>,3|C<3>}	H(C[6]C[6]2O)	109.5890	0.000	1	109.5890	0.000	1	109.0462	1.413	17	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2O)	109.2330	0.000	1	109.2330	0.000	1	109.0462	1.413	17	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(C[6]C[6]2O)	109.9897	0.901	3	109.9897	0.811	3	109.0462	1.413	17	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC[6a])(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC[6a])(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]2O)	109.6990	0.000	1	109.6990	0.000	1	109.0462	1.413	17	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[5,6]C[4,5,6]O[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[4,5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2O)	109.2440	0.000	1	109.2440	0.000	1	109.0462	1.413	17	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HO)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2O)	108.8100	0.000	1	108.8100	0.000	1	109.0462	1.413	17	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2O)	109.6730	0.000	1	109.6730	0.000	1	109.0462	1.413	17	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(C[6]C[6]2O)	108.7230	1.196	2	108.7230	1.431	2	109.0462	1.413	17	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2O)	105.1830	0.000	1	105.1830	0.000	1	109.0462	1.413	17	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(OC)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(OC)(H){1|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6]2O)	109.7440	0.000	1	109.7440	0.000	1	108.3461	1.793	16	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(OC[6])(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(OC[6])(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6]2O)	106.2920	0.000	1	106.2920	0.000	1	108.3461	1.793	16	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(OH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6]2O)	108.5810	0.000	1	108.5810	0.000	1	108.3461	1.793	16	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(OC)(H)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6]C[6]HO)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2O)	109.9970	0.000	1	109.9970	0.000	1	108.3461	1.793	16	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H){1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6]2O)	106.9070	0.000	1	108.0773	0.955	6	108.3461	1.793	16	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H){1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2O)	106.8240	0.000	1	108.0773	0.955	6	108.3461	1.793	16	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2O)	108.5305	0.238	2	108.0773	0.955	6	108.3461	1.793	16	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2O)	108.5090	0.000	1	108.0773	0.955	6	108.3461	1.793	16	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6]2O)	109.1630	0.000	1	108.0773	0.955	6	108.3461	1.793	16	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2O)	108.1880	0.000	1	108.1880	0.000	1	108.3461	1.793	16	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[6]C[6]2O)	111.4260	0.000	1	111.4260	0.000	1	108.3461	1.793	16	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2O)	107.3370	0.000	1	107.3370	0.000	1	108.3461	1.793	16	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(H)2{1|H<1>,1|P<4>,2|C<3>,2|C<4>}	H(C[6]C[6]2O)	106.9670	0.000	1	106.9670	0.000	1	108.3461	1.793	16	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(OH)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(OH)(H){1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2O)	107.8900	0.000	1	107.8900	0.000	1	108.3461	1.793	16	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(OH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<1>,4|C<4>}	H(C[6]C[6]2O)	108.6520	0.000	1	108.6520	0.000	1	108.3461	1.793	16	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)2(Br)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(Br)(H){1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]2O)	108.7840	0.000	1	108.7840	0.000	1	108.7840	0.000	1	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)2(Cl)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]ClH)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.2250	0.000	1	109.2250	0.000	1	109.2250	0.000	1	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]2)(OH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]2)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	107.2010	0.000	1	107.2010	0.000	1	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]Br)(OC[6a])(H)	C[6](C[6]C[6]HO)2(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(OC[6a])(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(H)2{1|Br<1>,1|C<3>,2|H<1>}	H(C[6]C[6]2O)	110.5060	0.000	1	110.5060	0.000	1	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H){1|O<2>,3|C<4>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2O)	109.2340	0.000	1	109.2340	0.000	1	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H){1|H<1>,1|I<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2O)	109.2920	0.000	1	111.7393	11.409	3	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2O)	112.9630	3.719	2	111.7393	11.409	3	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H){1|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2O)	109.9528	1.472	6	109.9528	2.168	6	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2O)	109.2930	0.000	1	109.5670	0.195	3	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2O)	109.7040	0.526	2	109.5670	0.195	3	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|O<2>,3|C<4>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2O)	107.0260	0.000	1	107.0260	0.000	1	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	106.7157	2.253	4	107.4352	3.123	9	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2O)	106.4320	0.000	1	107.4352	3.123	9	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.8980	0.298	2	107.4352	3.123	9	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2O)	108.8770	0.000	1	107.4352	3.123	9	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<2>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	106.9490	0.000	1	107.4352	3.123	9	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2O)	108.1290	0.000	1	108.4285	0.179	2	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2O)	108.7280	0.000	1	108.4285	0.179	2	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2O)	108.6847	0.542	3	108.7046	0.262	5	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.2570	0.000	1	108.7046	0.262	5	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2O)	109.2120	0.000	1	108.7046	0.262	5	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)2(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)2(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2O)	108.9790	0.000	1	108.9790	0.000	1	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2O)	109.6830	0.000	1	109.2345	0.402	2	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OSi)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2O)	108.7860	0.000	1	109.2345	0.402	2	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2O)	109.8610	0.000	1	109.5490	0.239	3	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2O)	109.3930	0.576	2	109.5490	0.239	3	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.7340	0.000	1	108.2010	0.568	2	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	107.6680	0.000	1	108.2010	0.568	2	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)2(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	106.8330	0.000	1	106.8330	0.000	1	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2O)	108.6095	0.132	2	108.5380	0.024	3	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6]2O)	108.3950	0.000	1	108.5380	0.024	3	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]I)(OC)(H)	C[6](C[6]C[6]HO)2(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]I)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(H)2{1|C<3>,1|H<1>,1|I<1>,1|O<2>}	H(C[6]C[6]2O)	109.9180	0.000	1	109.9180	0.000	1	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2O)	109.1790	0.000	1	109.1790	0.000	1	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2O)	108.2110	0.000	1	108.2110	0.000	1	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.6450	0.000	1	108.6450	0.000	1	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2O)	109.2060	0.000	1	109.2060	0.000	1	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(OFe)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OFe)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	107.9160	0.000	1	107.9160	0.000	1	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H){1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<2>,1|C<3>,1|O<1>}	H(C[6]C[6]2O)	108.3790	0.055	2	108.2423	0.058	3	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H){1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2O)	107.9690	0.000	1	108.2423	0.058	3	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2O)	108.5860	0.001	2	108.7135	0.156	6	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H){1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2O)	109.0765	0.019	2	108.7135	0.156	6	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2O)	108.9090	0.000	1	108.7135	0.156	6	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|O<1>}	H(C[6]C[6]2O)	108.0470	0.000	1	108.7135	0.156	6	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6]HO)2(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(H)2{1|C<4>,1|O<2>,2|O<1>}	H(C[6]C[6]2O)	105.8760	0.000	1	105.8760	0.000	1	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(OC)(H)	C[6](C[6]C[6]CS)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]C)(OC)(H){1|C<4>,1|S<4>,2|C<3>}	C[6](C[6]C[6]CS)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2O)	109.8540	0.000	1	109.8540	0.000	1	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]HS)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]C)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]HO)(C[6]C[6]HS)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2O)	109.6340	0.000	1	109.6340	0.000	1	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2O)	108.1430	0.000	1	107.9365	0.085	2	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2O)	107.7300	0.000	1	107.9365	0.085	2	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(OH)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(OH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(H)2{1|N<3>,2|C<3>,2|O<1>}	H(C[6]C[6]2O)	106.9020	0.000	1	106.9020	0.000	1	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]S)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]S)(OC)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,1|S<1>,2|H<1>}	H(C[6]C[6]2O)	108.8150	0.000	1	108.8150	0.000	1	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]O)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2O)	109.4340	0.000	1	109.4340	0.000	1	108.7510	2.281	67	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[6]HI)(C[6]C[6]Br)(OC)(H)	C[6](C[6]C[6]HO)2(H)(I)	H(C[6]C[6]2O)	C[6](C[6]C[6]HI)(C[6]C[6]Br)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(H)(I){1|Br<1>,1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.8325	0.554	4	109.8325	0.307	4	109.8325	0.307	4	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:S-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(SC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]C[6]H)(SC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2S)	109.5570	0.000	1	109.5570	0.000	1	110.3208	2.406	5	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:S-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(SC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]C[6]N)(SC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2S)	108.7390	0.000	1	108.7390	0.000	1	110.3208	2.406	5	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:S-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(SC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]C[6]N)(SC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2S)	111.1027	1.534	3	111.1027	2.352	3	110.3208	2.406	5	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[5,5,6]C[5,5,6]C[5,6a]O[5])(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[5,5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|Cl<1>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]O[5])(C[6]C[6a]O[6]H)(H)2{4|C<3>,4|C<4>}	H(C[6]C[6a]C[6]O[6])	109.2020	0.000	1	109.2020	0.000	1	109.2020	0.000	1	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]BrH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6a]O[6]H)(Br)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[5,6]BrH)(C[6a]C[6a]2)(O[6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6a]O[6]H)(Br)(H){2|C<4>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	105.3250	0.000	1	105.3250	0.000	1	105.3250	0.000	1	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[5,6])(H)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[5,6])(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6a]O[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]O[6])	108.6310	0.000	1	108.6310	0.000	1	108.7010	0.018	3	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]O[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	108.6170	0.000	1	108.6170	0.000	1	108.7010	0.018	3	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]O[6]H)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.8550	0.000	1	108.8550	0.000	1	108.7010	0.018	3	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[5,6]HI)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]O[6]H)(H)(I)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[5,6]HI)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]O[6]H)(H)(I){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]O[6])	107.6557	0.205	3	107.6557	0.042	3	107.6557	0.042	3	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[3x6])(H)	C[6](C[6,6]C[6,6a]C[3x6]H)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[3x6])(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[3x6]H)(C[6]C[6a]O[6]H)(H)2{1|C<4>,1|O<2>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	108.8680	0.066	2	108.8680	0.004	2	108.6958	1.179	10	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[5,6])(H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[5,6])(H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6a]O[6]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.2670	0.000	1	108.2670	0.000	1	108.6958	1.179	10	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6])(H){1|Cl<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]O[6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	109.3770	0.000	1	109.3770	0.000	1	108.6958	1.179	10	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6a]O[6]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	107.6050	0.000	1	107.6050	0.000	1	108.6958	1.179	10	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6a]O[6]H)(H)2{1|C<4>,1|N<3>,4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.1045	0.069	2	108.1045	0.005	2	108.6958	1.179	10	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6a]O[6]H)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	107.0990	0.000	1	107.0990	0.000	1	108.6958	1.179	10	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]O[6])(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]O[6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6a]O[6]H)(H)2{1|O<1>,2|O<2>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	110.3325	0.320	2	110.3325	0.103	2	108.6958	1.179	10	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(Br)(H){2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	108.9250	0.355	2	108.9250	0.126	2	108.9250	0.126	2	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]N[6]CH)(Cl)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]N[6]CH)(Cl)(H){3|C<3>}	H(C[6]C[6a]C[6]O[6])	108.6400	1.079	2	108.6400	1.164	2	108.6400	1.164	2	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:S[6]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(S[6]C[6])(H)	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6a]S[6]H)(H)2	H(C[6]C[6a]C[6]S[6])	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(S[6]C[6])(H){1|C<4>,1|N<3>,1|S<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6a]S[6]H)(H)2{1|C<4>,1|N<2>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]S[6])	108.5360	0.223	2	108.5360	0.050	2	108.5360	0.050	2	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:N[5]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(N[5]C[5]2)(O[6]C[6])(H)	C[6](C[6]N[5]O[6]H)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]N[5]O[6])	C[6](C[6]C[6]BrH)(N[5]C[5]2)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]N[5]O[6]H)(C[6]C[6]HH)(Br)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[5]O[6])	108.6340	0.000	1	108.6340	0.000	1	108.6340	0.000	1	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CN)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CN)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[6]N[6]C)	106.8920	0.000	1	106.8920	0.000	1	106.8920	0.000	1	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(OC)(H)	C[6](C[5,6]C[6]S[5]2)(C[6]N[6]HO)(H)2	H(C[6]C[6]N[6]O)	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(OC)(H){1|H<1>,2|C<4>,2|S<2>}	C[6](C[5,6]C[6]S[5]2)(C[6]N[6]HO)(H)2{1|S<4>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]O)	109.1070	0.000	1	109.1070	0.000	1	109.1070	0.000	1	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HO)(H)2	H(C[6]C[6]N[6]O)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HO)(H)2{1|C<2>,1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]O)	108.5820	0.000	1	108.5820	0.000	1	108.5820	0.000	1	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(OC)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(H)2	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]HH)(N[6]C[6]S)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(H)2{1|H<1>,1|S<3>,3|C<3>}	H(C[6]C[6]N[6]O)	110.0020	0.000	1	112.1170	8.946	2	110.6482	4.505	5	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(OC)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(H)2	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]HH)(N[6]C[6]S)(OC)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(H)2{1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6]N[6]O)	114.2320	0.000	1	112.1170	8.946	2	110.6482	4.505	5	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(OSi)(H)	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]HO)(H)2	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]HH)(N[6]C[6]S)(OSi)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]HO)(H)2{1|C<4>,1|O<2>,1|S<4>,3|C<3>}	H(C[6]C[6]N[6]O)	108.6000	0.000	1	108.6000	0.000	1	110.6482	4.505	5	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]N[6]C)(OC)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HO)(H)2	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]HH)(N[6]N[6]C)(OC)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HO)(H)2{1|N<2>,2|C<3>}	H(C[6]C[6]N[6]O)	109.9150	0.000	1	109.9150	0.000	1	110.6482	4.505	5	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]N[6]S)(OH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HO)(H)2	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]HH)(N[6]N[6]S)(OH)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HO)(H)2{1|C<3>,1|N<2>,1|S<4>}	H(C[6]C[6]N[6]O)	110.4920	0.000	1	110.4920	0.000	1	110.6482	4.505	5	108.7225	3.511	183	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(NN)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NN)(H){1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HN)(OH)(H){1|C<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2N)	112.1660	0.000	1	109.3975	15.329	2	109.3975	15.329	2	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(NN)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NN)(H){1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HN)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2N)	106.6290	0.000	1	109.3975	15.329	2	109.3975	15.329	2	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3,6]HO)(C[6]C[6]C)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<3>}	H(C[6]C[6]2O)	108.5740	0.000	1	108.5740	0.000	1	108.5740	0.000	1	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[4,6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[4,6]HO)(C[6]C[6]C)(OH)(H){2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2O)	109.0960	0.369	2	109.0960	0.136	2	109.0960	0.136	2	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(ON)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(ON)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2O)	110.0035	0.146	2	110.0035	0.021	2	108.9832	1.477	9	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>,1|I<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.2220	0.000	1	109.2220	0.000	1	108.9832	1.477	9	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.3910	2.697	2	108.3910	7.273	2	108.9832	1.477	9	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC[6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.0640	0.109	2	109.0640	0.012	2	108.9832	1.477	9	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H){1|C<4>,1|H<1>,1|I<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.0120	0.000	1	108.3550	0.863	2	108.9832	1.477	9	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	107.6980	0.000	1	108.3550	0.863	2	108.9832	1.477	9	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[5,6]H)(OC)(H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[5,6]H)(OC)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HO)(OH)(H){1|N<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2O)	108.8190	0.000	1	108.8190	0.000	1	107.7608	2.910	9	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OC)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2O)	108.1360	0.000	1	108.1360	0.000	1	107.7608	2.910	9	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H){1|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2O)	103.5160	0.000	1	103.5160	0.000	1	107.7608	2.910	9	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2O)	109.2670	0.000	1	109.2670	0.000	1	107.7608	2.910	9	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(OH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.1510	0.308	2	108.1510	0.095	2	107.7608	2.910	9	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OH)(H){4|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HO)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.3250	0.000	1	108.3250	0.000	1	107.7608	2.910	9	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OH)(H){4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	107.0300	0.000	1	107.0300	0.000	1	107.7608	2.910	9	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2O)	108.4520	0.000	1	108.4520	0.000	1	107.7608	2.910	9	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H){1|C<4>,1|I<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2O)	109.9170	0.000	1	109.5160	0.322	2	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2O)	109.1150	0.000	1	109.5160	0.322	2	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){2|C<3>}	H(C[6]C[6]2O)	112.1720	0.000	1	112.1720	0.000	1	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC[6a])(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2O)	106.4940	0.000	1	106.4940	0.000	1	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2O)	107.6200	0.000	1	107.6200	0.000	1	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|Cl<1>,1|H<1>,2|C<4>}	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2O)	106.6730	0.000	1	106.6730	0.000	1	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|F<1>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2O)	108.7430	0.000	1	108.7430	0.000	1	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|F<1>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2O)	108.2160	0.000	1	108.2160	0.000	1	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){2|C<3>}	H(C[6]C[6]2O)	109.1270	0.000	1	109.1270	0.000	1	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2O)	113.7430	0.000	1	113.7430	0.000	1	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	107.6270	0.000	1	108.0417	1.424	9	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2O)	108.6270	0.000	1	108.0417	1.424	9	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|H<1>,2|C<3>}	H(C[6]C[6]2O)	105.7610	0.000	1	108.0417	1.424	9	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<2>,1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.4025	0.568	2	108.0417	1.424	9	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	106.7930	0.000	1	108.0417	1.424	9	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2O)	109.2070	0.850	2	108.0417	1.424	9	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)2(OH)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2O)	108.3480	0.000	1	108.0417	1.424	9	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]Cl)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]Cl)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|Cl<1>,1|C<3>,1|O<1>}	H(C[6]C[6]2O)	108.8100	0.062	2	108.8100	0.004	2	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.6300	0.000	1	108.6300	0.000	1	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2O)	109.4950	0.000	1	108.5767	3.112	3	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.6920	0.000	1	108.5767	3.112	3	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|Cl<1>,1|C<3>,2|H<1>}	H(C[6]C[6]2O)	106.5430	0.000	1	108.5767	3.112	3	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|Cl<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H){1|Cl<1>,1|C<3>,2|H<1>}	H(C[6]C[6]2O)	110.2240	0.000	1	110.2240	0.000	1	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2O)	109.8260	0.000	1	109.4055	0.354	2	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2O)	108.9850	0.000	1	109.4055	0.354	2	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HI)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|Br<1>,1|C<4>,1|H<1>,1|I<1>}	C[6](C[6]C[6]HI)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.8858	0.286	4	108.8858	0.082	4	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2O)	109.7710	0.000	1	109.7710	0.000	1	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<3>,1|H<1>}	H(C[6]C[6]2O)	109.3890	0.000	1	109.3890	0.000	1	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2O)	108.9040	0.000	1	108.6650	1.346	3	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.5455	1.614	2	108.6650	1.346	3	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	107.5270	0.000	1	108.8737	0.759	6	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>,1|I<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.3785	0.590	2	108.8737	0.759	6	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.5680	0.194	2	108.8737	0.759	6	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.8220	0.000	1	108.8737	0.759	6	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC[6])(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.8270	0.000	1	108.8270	0.000	1	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC[6])(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.7010	0.000	1	108.7010	0.000	1	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|H<1>,3|C<3>}	H(C[6]C[6]2O)	109.3610	0.000	1	109.3610	0.000	1	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.7740	0.000	1	109.7740	0.000	1	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>}	H(C[6]C[6]2O)	109.2020	0.000	1	109.2020	0.000	1	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<2>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.9095	0.405	2	108.9402	0.063	4	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.9710	0.148	2	108.9402	0.063	4	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|H<1>,2|C<3>}	H(C[6]C[6]2O)	105.9120	0.000	1	107.3065	3.889	2	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.7010	0.000	1	107.3065	3.889	2	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2O)	107.0910	0.000	1	107.0910	0.000	1	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OS)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OS)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2O)	109.3300	0.059	2	109.3300	0.004	2	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OSi)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OSi)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2O)	108.4320	0.000	1	108.4320	0.000	1	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]I)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]I)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|I<1>}	H(C[6]C[6]2O)	110.4370	0.000	1	110.4370	0.000	1	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]I)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]I)(OH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|I<1>,1|O<1>}	H(C[6]C[6]2O)	108.8300	0.000	1	108.8300	0.000	1	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]I)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]I)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|H<1>,1|I<1>,1|O<2>}	H(C[6]C[6]2O)	107.7295	0.821	2	107.7295	0.674	2	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H){1|C<1>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|O<2>}	H(C[6]C[6]2O)	109.2600	0.000	1	109.3940	0.036	2	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|O<2>}	H(C[6]C[6]2O)	109.5280	0.000	1	109.3940	0.036	2	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|O<1>}	H(C[6]C[6]2O)	109.4480	0.000	1	109.4480	0.000	1	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2O)	108.7530	0.000	1	107.5260	4.475	7	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2O)	107.3215	2.240	6	107.5260	4.475	7	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]C)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]C)(OC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2O)	109.1970	0.000	1	109.1970	0.000	1	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]C)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]C)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.4300	0.000	1	108.4300	0.000	1	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]H)(OC[6])(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]H)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.5670	0.000	1	109.5670	0.000	1	108.6988	1.917	75	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:S-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(SC[6a])(H)	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6]HO)(C[6]C[6]H)(SC[6a])(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OH)(H){1|C<3>,1|H<1>}	H(C[6]C[6]2S)	108.5690	0.083	2	108.5690	0.007	2	108.5690	0.007	2	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6a]C[6a]2)(O[6]C[5,6])(H)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6a]O[6]H)(OH)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[5,6]HO)(C[6a]C[6a]2)(O[6]C[5,6])(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6a]O[6]H)(OH)(H){2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]O[6])	107.5810	0.000	1	107.5810	0.000	1	107.5810	0.000	1	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6a]C[6a]2)(O[6]C[6,6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]O[6]H)(OC)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6]HO)(C[6a]C[6a]2)(O[6]C[6,6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]O[6]H)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	106.7220	0.000	1	106.7220	0.000	1	108.2955	0.744	6	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6a]C[6a]2)(O[6]C[6,6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]O[6]H)(OH)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6]HO)(C[6a]C[6a]2)(O[6]C[6,6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]O[6]H)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	108.6102	0.433	5	108.6102	0.188	5	108.2955	0.744	6	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:Se-2:H-1:	C[6]-4:	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(SeC[6a])(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(O[6]C[6,6a])(H){4|C<3>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(SeC[6a])(H){4|C<3>}	H(C[6]C[6a]C[6]O[6])	109.0270	0.000	1	109.0270	0.000	1	108.5260	0.927	3	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:Se-2:H-1:	C[6]-4:	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(SeC[6a])(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(SeC[6a])(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	107.4160	0.000	1	108.2755	1.477	2	108.5260	0.927	3	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:Se-2:H-1:	C[6]-4:	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(SeC[6a])(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(SeC[6a])(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	109.1350	0.000	1	108.2755	1.477	2	108.5260	0.927	3	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:N[5]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H)	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]N[5]O[6])	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H){1|Ir<8>,1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]N[5]O[6])	108.9985	0.497	2	109.4257	0.301	6	109.3486	0.293	7	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:N[5]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H)	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]N[5]O[6])	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H){1|Ni<4>,1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]N[5]O[6])	110.0415	0.006	2	109.4257	0.301	6	109.3486	0.293	7	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:N[5]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H)	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]N[5]O[6])	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H){1|Pt<6>,1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]N[5]O[6])	109.0560	0.000	1	109.4257	0.301	6	109.3486	0.293	7	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:N[5]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H)	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]N[5]O[6])	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H){1|Rh<8>,1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]N[5]O[6])	109.4180	0.000	1	109.4257	0.301	6	109.3486	0.293	7	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:N[5]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H)	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]N[5]O[6])	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H){1|O<2>,1|P<4>,4|C<4>,5|H<1>}	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]N[5]O[6])	108.8860	0.000	1	108.8860	0.000	1	109.3486	0.293	7	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:C-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CC)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CC)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	106.8090	0.000	1	106.8090	0.000	1	106.8090	0.000	1	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HO)(OH)(H)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]HO)(N[6]C[6]C)(OH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]O)	107.4190	0.000	1	107.4190	0.000	1	108.7750	3.677	2	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]S)(OC)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HO)(OC)(H)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]HO)(N[6]C[6]S)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HO)(OC)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]O)	110.1310	0.000	1	110.1310	0.000	1	108.7750	3.677	2	108.6545	1.866	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[3x6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[3x6]CH)(C[6]C[6]H)(OC)(H)	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]HO)(COO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3x6]CH)(C[6]C[6]H)(OC)(H){2|C<4>,2|H<1>}	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]HO)(COO)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2O)	108.4790	0.000	1	108.4790	0.000	1	108.4790	0.000	1	109.3378	1.965	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(OH)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(CCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(CCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2O)	109.6910	0.000	1	109.6910	0.000	1	107.9175	6.291	2	109.3378	1.965	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(OO)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(CCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(OO)(H){1|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(CCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2O)	106.1440	0.000	1	106.1440	0.000	1	107.9175	6.291	2	109.3378	1.965	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(OC[6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NHS)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(OC[6])(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NHS)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.7685	0.317	2	109.7685	0.101	2	109.2593	0.828	3	109.3378	1.965	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(OC[6a])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(OC[6a])(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.2410	0.000	1	108.2410	0.000	1	109.2593	0.828	3	109.3378	1.965	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.8650	0.014	2	109.8650	0.000	2	109.9032	3.074	8	109.3378	1.965	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.9940	0.000	1	109.3536	3.007	5	109.9032	3.074	8	109.3378	1.965	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.4435	1.989	4	109.3536	3.007	5	109.9032	3.074	8	109.3378	1.965	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)2(CCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(CCH)(H){1|H<1>,3|C<3>}	H(C[6]C[6]2O)	112.7280	0.000	1	112.7280	0.000	1	109.9032	3.074	8	109.3378	1.965	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NCH)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2O)	109.2720	0.296	4	109.1926	0.097	5	109.1926	0.097	5	109.3378	1.965	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>,1|I<1>,1|N<3>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NCH)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2O)	108.8750	0.000	1	109.1926	0.097	5	109.1926	0.097	5	109.3378	1.965	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|O<2>,2|H<1>,7|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	H(C[6]C[6a]C[6]O[6])	109.4750	0.000	1	109.4750	0.000	1	109.4750	0.000	1	109.3378	1.965	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]C)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[3]C[3]2H)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]C)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[3]C[3]2H)(C[6]C[6]HO)(H){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	H(C[6]C[6]2O)	108.1550	0.000	1	108.1550	0.000	1	108.1550	0.000	1	108.2322	0.946	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.7910	0.000	1	109.7910	0.000	1	108.9070	0.519	18	108.2322	0.946	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.4050	0.000	1	108.4050	0.000	1	108.9070	0.519	18	108.2322	0.946	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|C<3>,1|C<4>}	H(C[6]C[6]2O)	108.5930	0.000	1	108.5930	0.000	1	108.9070	0.519	18	108.2322	0.946	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HO)(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|I<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HO)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2O)	109.1675	0.421	4	109.1675	0.177	4	108.9070	0.519	18	108.2322	0.946	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HN)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HN)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2O)	108.5680	0.000	1	108.5680	0.000	1	108.9070	0.519	18	108.2322	0.946	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2O)	108.7090	0.000	1	108.6850	0.001	2	108.9070	0.519	18	108.2322	0.946	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2O)	108.6610	0.000	1	108.6850	0.001	2	108.9070	0.519	18	108.2322	0.946	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]I)(OH)(H)	C[6](C[6]C[6]HO)2(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]I)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(CH3)(H){1|C<3>,1|I<1>,2|H<1>}	H(C[6]C[6]2O)	107.8390	0.000	1	107.8390	0.000	1	108.9070	0.519	18	108.2322	0.946	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(H){1|C<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2O)	111.0710	0.000	1	111.0710	0.000	1	108.9070	0.519	18	108.2322	0.946	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6a]HH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6a]HH)(H){1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2O)	108.5926	0.292	5	108.5926	0.085	5	108.9070	0.519	18	108.2322	0.946	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]O)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]O[6]O)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)(H){1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.0560	0.000	1	109.0560	0.000	1	108.9070	0.519	18	108.2322	0.946	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]2H)(C[6]C[6]H)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6]2O)	108.0620	0.000	1	108.0620	0.000	1	108.0620	0.000	1	108.2322	0.946	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]H)(O[6]O[6])(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O[6]H)(C[6]C[6]CC)(H)	H(C[6]C[6]2O[6])	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]H)(O[6]O[6])(H){1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O[6]H)(C[6]C[6]CC)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2O[6])	106.4560	0.225	3	106.4560	0.051	3	106.4560	0.051	3	108.2322	0.946	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]2)(O[6]C[6])(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]CH)(C[6]C[6]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2O[6])	107.6310	0.000	1	107.6310	0.000	1	107.6310	0.000	1	108.2322	0.946	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<1>,2|O<2>}	H(C[6]C[6]2O[6])	107.7083	0.136	4	107.6914	0.015	5	107.7132	0.034	9	108.2322	0.946	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6]2O[6])	107.6240	0.000	1	107.6914	0.015	5	107.7132	0.034	9	108.2322	0.946	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)2(H)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)2(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6]2O[6])	107.4830	0.000	1	107.4830	0.000	1	107.7132	0.034	9	108.2322	0.946	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H){1|N<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2O[6])	107.6360	0.000	1	107.6360	0.000	1	107.7132	0.034	9	108.2322	0.946	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H){1|C<4>,2|H<1>,2|O<1>,2|O<2>}	H(C[6]C[6]2O[6])	108.0970	0.000	1	107.9215	0.062	2	107.7132	0.034	9	108.2322	0.946	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6]2O[6])	107.7460	0.000	1	107.9215	0.062	2	107.7132	0.034	9	108.2322	0.946	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:4:1:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)(CH3)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(O[6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)(CH3)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	109.5590	0.000	1	109.5590	0.000	1	109.5590	0.000	1	108.2322	0.946	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:C-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(CN)(H)	C[6](C[6]C[6]HW)(C[6]N[6]CH)(CC3)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CN)(H){1|C<4>,1|W<7>,3|H<1>}	C[6](C[6]C[6]HW)(C[6]N[6]CH)(CC3)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]C)	107.3990	0.000	1	107.3990	0.000	1	107.3990	0.000	1	108.2322	0.946	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(N[6]C[6]C)(OH)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]HO)(H)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]2H)(N[6]C[6]C)(OH)(H){1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]HO)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]O)	107.7270	0.000	1	107.7270	0.000	1	107.7270	0.000	1	108.2322	0.946	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(N[6]O[6]C)(O[6]C[6])(H)	C[6](C[6]N[6]O[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]O[6])	C[6](C[6]C[6]2H)(N[6]O[6]C)(O[6]C[6])(H){3|C<4>,6|H<1>}	C[6](C[6]N[6]O[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]O[6])	106.9440	0.000	1	106.9440	0.000	1	106.9440	0.000	1	108.2322	0.946	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6]H)(OC)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(CH3)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CO)(C[6]C[6]H)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,2|F<1>,3|H<1>}	H(C[6]C[6]2O)	108.2260	0.000	1	108.2260	0.000	1	108.2260	0.000	1	108.4996	0.604	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]C)(OSi)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(OC)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]C)(OSi)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(OC){2|C<3>}	H(C[6]C[6]2O)	108.4690	0.000	1	108.4690	0.000	1	108.4949	0.777	7	108.4996	0.604	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)2(CHHO)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]H)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(CHHO)(OH){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.1140	0.727	2	109.1140	0.528	2	108.4949	0.777	7	108.4996	0.604	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.6370	0.000	1	108.4175	0.096	2	108.4949	0.777	7	108.4996	0.604	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.1980	0.000	1	108.4175	0.096	2	108.4949	0.777	7	108.4996	0.604	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)2(CH3)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(CH3)(OH){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.1270	0.000	1	109.1270	0.000	1	108.4949	0.777	7	108.4996	0.604	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]O)(OH)(H)	C[6](C[6]C[6]HO)2(CH3)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]O[6]O)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(CH3)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2O)	106.8050	0.000	1	106.8050	0.000	1	108.4949	0.777	7	108.4996	0.604	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-3:S-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(SC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(OH)	H(C[6]C[6]2S)	C[6](C[6]C[6]CO)(C[6]C[6]O)(SC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(OH){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2S)	108.8060	0.000	1	108.8060	0.000	1	108.8060	0.000	1	108.4996	0.604	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(NOO)	H(C[6]C[6]2O)	C[6](C[6]C[6]CN)(C[6]C[6]H)(OC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(NOO){1|C<3>,3|H<1>}	H(C[6]C[6]2O)	109.5930	0.315	2	109.5930	0.099	2	109.5930	0.099	2	109.5930	0.099	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:C-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]N[6]O)(CN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]N[6]O)(CN)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2C)	106.8640	0.000	1	106.8640	0.000	1	106.8640	0.000	1	107.3937	0.148	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[3x6]CC)(C[6]C[6]H)(OH)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[3x6]CC)(C[6]C[6]H)(OH)(H){2|C<4>,2|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2O)	107.3590	0.000	1	107.3590	0.000	1	107.3590	0.000	1	107.3937	0.148	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2O)	107.6760	0.044	2	107.6760	0.002	2	107.6760	0.002	2	107.3937	0.148	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[5a]-3:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[5,6]S)(CC[6a]O)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[5,6]C)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a]C[6]H)(C[6]N[5,6]S)(CC[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[5,6]C)(C[6]C[6]CH)(H){1|H<1>,1|S<1>,2|C<3>,2|N<3>}	H(C[6]C[6]2C)	108.8050	0.000	1	108.8050	0.000	1	108.8050	0.000	1	108.2178	1.569	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[5a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CNO)(H)	C[6](C[5a]C[5a]O[5a])(N[6]C[6a]C[6])(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CNO)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[5a]C[5a]O[5a])(N[6]C[6a]C[6])(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	H(C[6]C[6]2C)	111.3660	0.000	1	111.3660	0.000	1	111.3660	0.000	1	108.2178	1.569	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(CCO)(H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(CCO)(H){5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>}	H(C[6]C[6]2C)	107.7180	0.000	1	107.7180	0.000	1	107.9987	0.095	3	108.2178	1.569	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(CNO)(H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(CNO)(H){5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6]2C)	108.1390	0.267	2	108.1390	0.071	2	107.9987	0.095	3	108.2178	1.569	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]O[5a])(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(COO)(H){1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]O[5a])(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6]2C)	112.0480	0.000	1	112.0480	0.000	1	112.0480	0.000	1	108.2178	1.569	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(CC[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(CC[6a]O)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|H<1>,6|C<3>}	H(C[6]C[6]2C)	109.6500	0.000	1	109.6500	0.000	1	108.6042	0.752	6	108.2178	1.569	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(CC[6a]O)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(CC[6a]O)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	H(C[6]C[6]2C)	108.5590	0.000	1	108.5590	0.000	1	108.6042	0.752	6	108.2178	1.569	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(COO)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){3|H<1>,6|C<3>}	H(C[6]C[6]2C)	107.0990	0.000	1	107.0990	0.000	1	108.6042	0.752	6	108.2178	1.569	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]O)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2C)	108.6070	0.000	1	108.6070	0.000	1	108.6042	0.752	6	108.2178	1.569	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(COO)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	H(C[6]C[6]2C)	108.8550	0.523	2	108.8550	0.274	2	108.6042	0.752	6	108.2178	1.569	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(COO)(H)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(COO)(H){1|C<4>,4|C<3>}	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|H<1>,2|N<3>}	H(C[6]C[6]2C)	107.7160	0.000	1	107.7160	0.000	1	107.7160	0.000	1	108.2178	1.569	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCH)(H)	C[6](C[6a]C[6a]2)(N[6]C[5,6]H)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[5,6]H)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	107.7260	0.000	1	107.7260	0.000	1	107.7260	0.000	1	108.2178	1.569	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]H)(COO)(H)	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]H)(COO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6]2C)	109.2070	0.000	1	109.2070	0.000	1	109.2070	0.000	1	108.2178	1.569	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(CNO)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(CNO)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2C)	108.4530	0.000	1	108.4530	0.000	1	108.2412	0.830	4	108.2178	1.569	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(CCH)(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(CCH)(H){1|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,6|C<3>}	H(C[6]C[6]2C)	107.9320	1.445	2	107.9320	2.089	2	108.2412	0.830	4	108.2178	1.569	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(CNO)(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(CNO)(H){1|C<4>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6]2C)	108.6480	0.000	1	108.6480	0.000	1	108.2412	0.830	4	108.2178	1.569	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]2H)(C[6]N[6]O)2(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]2H)(C[6]N[6]O)2(H){2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H){1|H<1>,1|O<2>,2|C<3>,3|O<1>,4|N<3>}	H(C[6]C[6]3)	107.3340	0.000	1	107.3340	0.000	1	107.3340	0.000	1	108.2178	1.569	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(NCH)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(NCH)(H){1|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	H(C[6]C[6]2N)	107.4320	0.000	1	107.4320	0.000	1	107.6080	0.062	2	108.2178	1.569	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]O)(NCH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]O)(NCH)(H){4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|O<1>,1|S<2>,2|H<1>,4|C<3>}	H(C[6]C[6]2N)	107.7840	0.000	1	107.7840	0.000	1	107.6080	0.062	2	108.2178	1.569	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]C)(NOO)(H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]C)(NOO)(H){4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2N)	108.2510	0.000	1	108.2510	0.000	1	106.8370	3.999	2	108.2178	1.569	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]O)(NCH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]O)(NCH)(H){4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|H<1>,2|C<3>,2|C<4>,2|O<1>,2|O<2>}	H(C[6]C[6]2N)	105.4230	0.000	1	105.4230	0.000	1	106.8370	3.999	2	108.2178	1.569	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(NCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(NCH)(H){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|F<1>,1|H<1>,1|N<3>,1|S<2>,2|O<1>,3|C<3>}	H(C[6]C[6]2N)	106.3090	0.000	1	106.3090	0.000	1	107.8888	0.718	6	108.2178	1.569	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(NOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(NOO)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	H(C[6]C[6]2N)	108.3330	0.297	4	108.3330	0.088	4	107.8888	0.718	6	108.2178	1.569	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(NCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(NCH)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6]2N)	107.6920	0.000	1	107.6920	0.000	1	107.8888	0.718	6	108.2178	1.569	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:3:4:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N[5a]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]N[5a]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	106.7410	0.000	1	106.7410	0.000	1	106.7410	0.000	1	108.2178	1.569	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:3:4:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(N[6]C[6]H)(COO)(H)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[5,6]C[6a]H)(N[6]C[6]H)(COO)(H){1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]CH)(H){4|H<1>,5|C<3>}	H(C[6]C[6]N[6]C)	107.7750	0.000	1	107.7750	0.000	1	107.7750	0.000	1	108.2178	1.569	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:3:4:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]H)(CNO)(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]H)(CNO)(H){2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[6]C[6]N[6]C)	107.6610	0.000	1	107.6610	0.000	1	107.6610	0.000	1	108.2178	1.569	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:3:4:2:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(N[6]C[6]C)(CNO)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)(OH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]C[6]O)(N[6]C[6]C)(CNO)(H){1|O<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)(OH){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6]N[6]C)	107.2940	0.000	1	107.2940	0.000	1	107.2940	0.000	1	107.2940	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:C[5]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[5]N[5]O[5])(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6]H)(H)2	H(C[6]C[5]C[6]N[6])	C[6](C[6]C[6,6a]HH)(C[5]N[5]O[5])(N[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6]H)(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5]C[6]N[6])	107.9290	0.000	1	107.9290	0.000	1	107.9290	0.000	1	107.8066	1.322	65	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCH)(H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCH)(H){1|Cl<1>,1|C<3>,1|C<4>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]CH)(H)2{1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2C)	108.3940	0.000	1	108.3940	0.000	1	107.9938	1.202	5	107.8066	1.322	65	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(CCH)(H)	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(CCH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]CH)(H)2{1|H<1>,2|N<3>,3|C<3>}	H(C[6]C[6]2C)	109.7130	0.000	1	109.7130	0.000	1	107.9938	1.202	5	107.8066	1.322	65	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]C)(CCH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]O[6]C)(CCH)(H){1|C<3>,1|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|O<2>}	H(C[6]C[6]2C)	107.2873	0.312	3	107.2873	0.098	3	107.9938	1.202	5	107.8066	1.322	65	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,6|C<3>}	H(C[6]C[6a]C[6]2)	107.7610	0.000	1	107.7610	0.000	1	107.7610	0.000	1	107.8066	1.322	65	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2{7|C<3>}	H(C[6]C[6a]C[6]2)	103.2080	0.000	1	103.2080	0.000	1	103.2080	0.000	1	107.8066	1.322	65	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|N<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(H)2{1|C<4>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.3885	0.387	2	107.3885	0.150	2	107.6298	0.201	13	107.8066	1.322	65	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.3430	0.834	2	107.6282	0.338	6	107.6298	0.201	13	107.8066	1.322	65	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2{2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7707	0.500	4	107.6282	0.338	6	107.6298	0.201	13	107.8066	1.322	65	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]N)(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|N<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(H)2{1|C<4>,1|N<2>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.8210	0.000	1	107.8210	0.000	1	107.6298	0.201	13	107.8066	1.322	65	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]S)(H){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2{1|C<4>,1|H<1>,1|S<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7227	0.442	3	107.7227	0.196	3	107.6298	0.201	13	107.8066	1.322	65	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]S[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]S[6]H)(H){2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2{1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.6530	0.000	1	107.6530	0.000	1	107.6298	0.201	13	107.8066	1.322	65	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:O-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]S[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)(O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]S[6]H)(H){2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)(O){1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.3510	0.000	1	107.3510	0.000	1	107.3510	0.000	1	107.8066	1.322	65	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(N[6]C[6]S)(H){3|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]N[6]H)(H)2{1|C<4>,1|S<4>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.9340	0.048	3	107.9340	0.002	3	107.9340	0.002	3	107.8066	1.322	65	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(CNO)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(CNO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]CH)(H)2{1|C<3>,1|H<1>,1|S<4>,3|C<4>}	H(C[6]C[6]N[6]C)	107.6000	0.000	1	107.6000	0.000	1	107.6000	0.000	1	107.8066	1.322	65	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[4,6]H)(CNO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[5a,6]HH)(N[6]C[4,6]H)(CNO)(H){2|C<3>,2|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6]C)	109.3460	0.000	1	109.3460	0.000	1	107.6165	1.492	17	107.8066	1.322	65	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[4,6]H)(COO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[5a,6]HH)(N[6]C[4,6]H)(COO)(H){2|C<3>,2|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6]C)	108.1243	0.755	3	108.1243	0.571	3	107.6165	1.492	17	107.8066	1.322	65	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]C)	106.2480	0.321	2	106.1524	0.091	5	107.6165	1.492	17	107.8066	1.322	65	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H){1|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]C[6]N[6]C)	106.4770	0.000	1	106.1524	0.091	5	107.6165	1.492	17	107.8066	1.322	65	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H){1|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]C)	105.8945	0.074	2	106.1524	0.091	5	107.6165	1.492	17	107.8066	1.322	65	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(CNO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(CNO)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6]C)	108.6380	0.000	1	108.6380	0.000	1	107.6165	1.492	17	107.8066	1.322	65	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6]C)	106.5630	0.000	1	108.0517	0.919	7	107.6165	1.492	17	107.8066	1.322	65	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H){1|C<4>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6]C)	108.2800	0.000	1	108.0517	0.919	7	107.6165	1.492	17	107.8066	1.322	65	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H){1|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6]C)	109.0550	0.516	2	108.0517	0.919	7	107.6165	1.492	17	107.8066	1.322	65	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H){1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]N[6]C)	108.0520	0.000	1	108.0517	0.919	7	107.6165	1.492	17	107.8066	1.322	65	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H){1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]N[6]C)	107.6785	0.828	2	108.0517	0.919	7	107.6165	1.492	17	107.8066	1.322	65	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNO)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	109.0185	0.214	4	108.7863	0.851	7	108.2145	1.329	19	107.8066	1.322	65	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNO)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]C)	108.4767	1.494	3	108.7863	0.851	7	108.2145	1.329	19	107.8066	1.322	65	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNS)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNS)(H){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]C)	105.1660	0.000	1	105.1660	0.000	1	108.2145	1.329	19	107.8066	1.322	65	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(COO)(H){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]C)	107.8365	1.853	2	107.9740	1.774	3	108.2145	1.329	19	107.8066	1.322	65	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(COO)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	108.2490	0.000	1	107.9740	1.774	3	108.2145	1.329	19	107.8066	1.322	65	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(COO)(H){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	108.4495	0.660	4	108.1332	0.642	6	108.2145	1.329	19	107.8066	1.322	65	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(COO)(H){1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	106.9080	0.000	1	108.1332	0.642	6	108.2145	1.329	19	107.8066	1.322	65	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(COO)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	108.0930	0.000	1	108.1332	0.642	6	108.2145	1.329	19	107.8066	1.322	65	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(COO)(H){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6]N[6]C)	108.6800	0.000	1	108.6800	0.000	1	108.2145	1.329	19	107.8066	1.322	65	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(CCH)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6]N[6]C)	108.0040	0.000	1	108.0040	0.000	1	108.2145	1.329	19	107.8066	1.322	65	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]N)(COO)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]N)(COO)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6]C)	109.5160	0.000	1	109.5160	0.000	1	108.3200	2.861	2	107.8066	1.322	65	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(COO)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(COO)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6]N[6]C)	107.1240	0.000	1	107.1240	0.000	1	108.3200	2.861	2	107.8066	1.322	65	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:N-3:H-1:	C[6,6a]-3:C[6]-4:Cl-1:Cl-1:	C[6]-4:	C[6](C[6]C[6,6a]Cl2)(N[6]S[6]S)(NHS)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HN)(Cl)2	H(C[6]C[6]N[6]N)	C[6](C[6]C[6,6a]Cl2)(N[6]S[6]S)(NHS)(H){1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HN)(Cl)2{1|H<1>,1|S<3>,1|S<4>,2|C<3>}	H(C[6]C[6]N[6]N)	108.4220	0.000	1	108.4220	0.000	1	108.4220	0.000	1	107.8066	1.322	65	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]N[6]C)(CCN)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]Ge[6])(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]O[6]H)(C[6]N[6]C)(CCN)(H){1|Ge<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]Ge[6])(H){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	108.0740	0.000	1	108.0740	0.000	1	108.0740	0.000	1	106.9534	0.633	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	N[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[6]HO)(C[6]C[6]O)(CC[6a]N)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]N[6]HO)(C[6]C[6]O)(CC[6a]N)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(OC)(H){1|O<1>,4|C<3>}	H(C[6]C[6]2C)	106.9840	0.000	1	106.9840	0.000	1	106.9840	0.000	1	106.9534	0.633	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(NC[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(NC[6a]C)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H){2|H<1>,3|C<3>}	H(C[6]C[6]2N)	106.5830	0.528	4	106.5830	0.279	4	106.5830	0.279	4	106.9534	0.633	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(N[6]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(N[6]C[6]2)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2N[6])	106.2300	0.000	1	106.7970	0.643	2	106.7970	0.643	2	106.9534	0.633	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(N[6]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(N[6]C[6]2)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2N[6])	107.3640	0.000	1	106.7970	0.643	2	106.7970	0.643	2	106.9534	0.633	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:2:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[5a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6a]C[6]H)(O[6]C[6])(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,2|H<1>,5|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6a]C[6]H)(O[6]C[6])(H){1|O<1>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	109.0820	0.000	1	109.0820	0.000	1	109.0820	0.000	1	106.9534	0.633	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:2:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.8655	0.151	2	106.6658	0.182	4	106.7140	0.473	6	106.9534	0.633	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:2:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]H)(H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.4660	0.602	2	106.6658	0.182	4	106.7140	0.473	6	106.9534	0.633	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:2:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|S<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.8105	1.339	2	106.8105	1.792	2	106.7140	0.473	6	106.9534	0.633	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:2:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]N[6]H)(OSi)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6]HO)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]N[6]H)(OSi)(H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.0810	0.000	1	107.0810	0.000	1	107.0810	0.000	1	106.9534	0.633	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:2:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(OSi)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(OSi)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.5880	0.000	1	106.5880	0.000	1	106.5880	0.000	1	106.9534	0.633	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:2:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]N[6]H)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]O[6]H)(N[6]N[6]H)(COO)(H){3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H){1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	107.1430	0.000	1	107.1430	0.000	1	107.1430	0.000	1	106.9534	0.633	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CNO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(COO)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CNO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2C)	107.2800	0.000	1	107.2800	0.000	1	107.2800	0.000	1	107.4302	3.316	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]O)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(COO)(H){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]O)(H){1|S<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.0910	0.000	1	108.0910	0.000	1	108.6946	0.450	5	107.4302	3.316	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]O[6]O)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(COO)(H){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]O[6]O)(H){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	109.7200	0.000	1	109.7200	0.000	1	108.6946	0.450	5	107.4302	3.316	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CCO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CCO)(H){5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	108.6150	0.000	1	108.6150	0.000	1	108.6946	0.450	5	107.4302	3.316	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CC[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CC[6a]O)(H){5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|S<1>,2|C<3>,2|H<1>,2|N<3>}	H(C[6]C[6]2C)	108.9220	0.000	1	108.9220	0.000	1	108.6946	0.450	5	107.4302	3.316	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(COO)(H){4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	108.1250	0.000	1	108.1250	0.000	1	108.6946	0.450	5	107.4302	3.316	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.6900	0.000	1	107.6900	0.000	1	109.2953	0.955	15	107.4302	3.316	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.4340	0.240	3	108.4340	0.057	3	109.2953	0.955	15	107.4302	3.316	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)(H){1|N<2>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|Br<1>,1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6]2C)	109.2710	0.000	1	109.7436	0.707	10	109.2953	0.955	15	107.4302	3.316	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)(H){1|N<2>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	109.8710	0.000	1	109.7436	0.707	10	109.2953	0.955	15	107.4302	3.316	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)(H){1|N<2>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6]2C)	109.7867	0.934	8	109.7436	0.707	10	109.2953	0.955	15	107.4302	3.316	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6])(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6])(COO)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|N<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2C)	109.0010	0.000	1	109.0010	0.000	1	109.2953	0.955	15	107.4302	3.316	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	H(C[6]C[6a]C[6]2)	107.3670	0.000	1	107.1400	0.058	5	107.1400	0.058	5	107.4302	3.316	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	H(C[6]C[6a]C[6]2)	107.0832	0.237	4	107.1400	0.058	5	107.1400	0.058	5	107.4302	3.316	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(NHS)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(NHS)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NCH)(H){2|H<1>,3|C<3>}	H(C[6]C[6]2N)	108.1390	0.000	1	108.1390	0.000	1	108.1390	0.000	1	107.4302	3.316	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]C)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]C)(H){2|H<1>,6|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.1660	0.000	1	106.1660	0.000	1	106.3735	0.472	4	107.4302	3.316	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){2|H<1>,6|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	105.9945	0.391	2	105.9945	0.153	2	106.3735	0.472	4	107.4302	3.316	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){1|S<2>,2|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.3390	0.000	1	107.3390	0.000	1	106.3735	0.472	4	107.4302	3.316	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]C)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(H){1|H<1>,1|O<2>,5|C<3>}	H(C[6]C[6a]C[6]2)	101.3436	4.051	2	101.3436	16.409	2	101.3436	16.409	2	107.4302	3.316	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){1|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	104.7160	0.000	1	105.3700	0.855	2	105.3700	0.855	2	107.4302	3.316	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	106.0240	0.000	1	105.3700	0.855	2	105.3700	0.855	2	107.4302	3.316	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NCH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]H)(H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NCH)(H){2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	105.6450	0.000	1	105.6450	0.000	1	106.4853	0.948	3	107.4302	3.316	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NHS)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|S<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NHS)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.9055	0.914	2	106.9055	0.836	2	106.4853	0.948	3	107.4302	3.316	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]N[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](N[5,6]N[5,6]C[5])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	107.1430	0.000	1	107.1430	0.000	1	107.1430	0.000	1	107.4302	3.316	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	N[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(C[6]C[6]Si)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]N[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Si<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(C[6]C[6]Si)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.5940	0.000	1	107.5940	0.000	1	107.5940	0.000	1	107.4302	3.316	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:3:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(H){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	106.7750	0.539	3	106.7750	0.291	3	106.9883	0.204	6	107.4302	3.316	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:3:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]S)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(H){1|H<1>,1|S<4>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.2017	0.286	3	107.2017	0.082	3	106.9883	0.204	6	107.4302	3.316	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:3:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<1>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,2|H<1>,7|C<3>}	H(C[6]C[6a]C[6]N[6])	107.0090	0.000	1	106.9673	0.757	3	106.9673	0.757	3	107.4302	3.316	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:3:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<1>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,7|C<3>}	H(C[6]C[6a]C[6]N[6])	106.9465	1.230	2	106.9673	0.757	3	106.9673	0.757	3	107.4302	3.316	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:3:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]N[5,6]C[6a]H)(C[6a]C[6a]2)(N[6]C[6]S)(H){4|H<1>,6|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,2|N<2>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.3570	0.277	2	107.3570	0.077	2	107.3570	0.077	2	107.4302	3.316	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:3:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	N[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]N[6]H)(COO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]N[6]H)(COO)(H){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	106.7997	0.254	3	106.7997	0.065	3	106.7997	0.065	3	107.4302	3.316	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:3:1:	4:	C[6]-4:N[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a]H)(C[6a]C[6a]2)(H)	H(C[6]N[6,6]C[6a]C[6])	C[6](C[6]C[6,6a]C[6a]H)(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a]H)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	H(C[6]N[6,6]C[6a]C[6])	107.6640	0.000	1	107.6640	0.000	1	107.6640	0.000	1	107.4302	3.316	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:3:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(CNO)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6]C)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(CNO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	104.7980	0.000	1	104.7980	0.000	1	106.4275	5.311	2	107.4302	3.316	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:3:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]S)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6]C)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]S)(COO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<4>,2|C<3>}	H(C[6]C[6]N[6]C)	108.0570	0.000	1	108.0570	0.000	1	106.4275	5.311	2	107.4302	3.316	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:3:1:	4:	C[6]-4:N[6]-3:C[5a]-3:H-1:	N[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]N[5a,6]CH)(N[6]C[6a]C[6])(C[5a]C[5a]2)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a]N[6]H)(COO)(H)	H(C[6]C[5a]C[6]N[6])	C[6](C[6]N[5a,6]CH)(N[6]C[6a]C[6])(C[5a]C[5a]2)(H){1|O<1>,1|S<2>,2|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a]N[6]H)(COO)(H){1|H<1>,6|C<3>}	H(C[6]C[5a]C[6]N[6])	107.4150	0.000	1	107.4150	0.000	1	107.4150	0.000	1	107.4302	3.316	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:3:1:	4:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:F-1:	C[6]-4:	C[6](C[6]C[6,6a]CF)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(F)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]CF)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(F){1|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	106.3400	0.000	1	106.3400	0.000	1	106.3400	0.000	1	107.4302	3.316	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:3:1:	4:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(H){1|H<1>,1|N<2>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7300	0.000	1	107.7300	0.000	1	107.7300	0.000	1	107.4302	3.316	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:3:1:	4:	C[6]-4:N[6]-3:C[6a]-3:H-1:	N[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]N[5a,6]CH)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]N[6]H)(COO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]N[5a,6]CH)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]N[6]H)(COO)(H){1|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	106.7935	0.343	2	106.7935	0.118	2	106.7935	0.118	2	107.4302	3.316	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:3:2:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6,6a]CO)(C[6]C[6]C)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]CO)(C[6]C[6]C)(COO)(H){1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO)(OH){1|H<1>,4|C<3>}	H(C[6]C[6]2C)	107.6548	0.746	4	107.6548	0.557	4	107.6548	0.557	4	107.4980	0.540	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:3:2:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6,6a]CO)(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(OH)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CO)(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(OH){1|H<1>,1|N<3>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.8710	0.000	1	106.8710	0.000	1	106.8710	0.000	1	107.4980	0.540	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:3:3:	4:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]2)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]C[6a]2)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H){11|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)2{10|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	106.2413	0.428	3	106.2413	0.183	3	106.2413	0.183	3	106.7713	0.532	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:3:3:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)2{2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.2175	0.754	2	107.3013	0.306	3	107.3013	0.306	3	106.7713	0.532	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:3:3:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]C[6]H)(H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)2{2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.4690	0.000	1	107.3013	0.306	3	107.3013	0.306	3	106.7713	0.532	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:3:4:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(CC[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(CCHH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(CC[6a]O)(H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(CCHH){2|H<1>,5|C<3>}	H(C[6]C[6]2C)	107.5810	0.000	1	107.5810	0.000	1	107.5810	0.000	1	107.5810	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:4:1:	4:	C[6]-4:C[5a]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[5a,6]CH)(C[5a]C[5a]2)(C[6]C[6]H)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a]C[6]H)(CH3)(H)	H(C[6]C[5a]C[6]2)	C[6](C[6]N[5a,6]CH)(C[5a]C[5a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a]C[6]H)(CH3)(H){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[5a]C[6]2)	108.1580	0.000	1	108.1580	0.000	1	108.1580	0.000	1	107.8215	2.302	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(COO)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2C)	108.2900	0.000	1	108.2900	0.000	1	108.1400	0.045	2	107.8215	2.302	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(COO)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)(H){1|I<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2C)	107.9900	0.000	1	107.9900	0.000	1	108.1400	0.045	2	107.8215	2.302	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CNO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CNO)(H){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	108.9620	0.000	1	108.9620	0.000	1	108.0024	2.261	27	107.8215	2.302	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CNO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CNO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2C)	108.3430	0.000	1	108.3430	0.000	1	108.0024	2.261	27	107.8215	2.302	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]HH)(H){3|H<1>,4|C<3>}	H(C[6]C[6]2C)	109.4960	0.000	1	109.4960	0.000	1	108.0024	2.261	27	107.8215	2.302	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO)(H){2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	108.3040	0.000	1	108.3040	0.000	1	108.0024	2.261	27	107.8215	2.302	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|Cl<1>,3|H<1>,4|C<3>}	H(C[6]C[6]2C)	108.2560	0.000	1	108.2560	0.000	1	108.0024	2.261	27	107.8215	2.302	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO)(H){2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	107.8850	0.000	1	107.8850	0.000	1	108.0024	2.261	27	107.8215	2.302	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]O)(H){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2C)	108.5870	0.000	1	108.5870	0.000	1	108.0024	2.261	27	107.8215	2.302	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(H){1|C<4>,2|C<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CH)(H){1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2C)	109.4860	0.000	1	109.4860	0.000	1	108.0024	2.261	27	107.8215	2.302	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(H){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|Cl<1>,1|H<1>,1|O<1>,4|C<3>}	H(C[6]C[6]2C)	107.4490	0.552	2	107.8476	2.513	14	108.0024	2.261	27	107.8215	2.302	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(H){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2C)	107.9141	1.706	12	107.8476	2.513	14	108.0024	2.261	27	107.8215	2.302	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.1307	0.464	3	108.1307	0.215	3	108.0024	2.261	27	107.8215	2.302	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]S)(CC[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]S)(CC[6a]O)(H){2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	108.8060	0.000	1	108.8060	0.000	1	108.0024	2.261	27	107.8215	2.302	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(COO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2C)	103.6800	0.000	1	103.6800	0.000	1	108.0024	2.261	27	107.8215	2.302	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6a]-3:C[6]-4:S[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]S[6]H)(C[6]C[6a]C[6])(NCC)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(S[6]O[6]OO)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]S[6]H)(C[6]C[6a]C[6])(NCC)(H){1|O<2>,2|O<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(S[6]O[6]OO)(H){2|H<1>,4|C<3>}	H(C[6]C[6]2N)	106.6260	0.000	1	106.6260	0.000	1	106.6260	0.000	1	107.8215	2.302	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:4:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CHHO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CHHO)(H){2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	105.9635	2.590	2	105.9635	6.709	2	105.9635	6.709	2	107.8215	2.302	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:4:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(N[6]C[6]H)(COO)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]CH)(CHHN)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[5a,6]CH)(N[6]C[6]H)(COO)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]CH)(CHHN)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]C)	106.8760	0.000	1	106.8760	0.000	1	106.8760	0.000	1	107.8215	2.302	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:4:2:	4:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(N[6]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(CH3)(OH)	H(C[6]C[6]2N[6])	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(N[6]C[6]2)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(CH3)(OH){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2N[6])	105.9110	0.000	1	105.9110	0.000	1	105.9110	0.000	1	105.4930	0.349	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:4:2:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]CO)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH)(OH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]CO)(C[6a]C[6a]2)(N[6]C[6]S)(H){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH)(OH){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	105.0750	0.000	1	105.0750	0.000	1	105.0750	0.000	1	105.4930	0.349	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:4:3:	4:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6]2)(C[6]O[6]O)2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]3)	C[6](C[6]C[6a]C[6]2)(C[6]O[6]O)2(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,2|C<3>,2|O<1>,3|O<2>,4|H<1>}	H(C[6]C[6]3)	105.4230	0.000	1	105.4230	0.000	1	105.4230	0.000	1	105.4230	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:4:4:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]O[6]O)(CC[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]CC)(C[6]O[6]O)(CC[6a]O)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2C)	108.5370	0.000	1	108.5370	0.000	1	108.5370	0.000	1	106.5745	0.737	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:4:4:	4:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]2)(C[6]O[6]O)2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]2H)(C[6]C[6]HH)2	H(C[6]C[6]3)	C[6](C[6]C[6a]C[6]2)(C[6]O[6]O)2(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]2H)(C[6]C[6]HH)2{1|C<4>,2|C<3>,2|O<1>,2|O<2>,6|H<1>}	H(C[6]C[6]3)	106.5530	0.351	8	106.3757	0.391	9	106.3757	0.391	9	106.5745	0.737	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:4:4:	4:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]2)(C[6]O[6]O)2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]2H)(C[6]C[6]HH)2	H(C[6]C[6]3)	C[6](C[6]C[6a]C[6]2)(C[6]O[6]O)2(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]2H)(C[6]C[6]HH)2{1|C<4>,2|C<3>,2|O<1>,3|O<2>,5|H<1>}	H(C[6]C[6]3)	104.9570	0.000	1	106.3757	0.391	9	106.3757	0.391	9	106.5745	0.737	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	3:4:4:4:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]CH)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(COO)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]CH)(CH3){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]C)	106.4010	0.000	1	106.4010	0.000	1	106.4010	0.000	1	106.5745	0.737	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:2:1:1:	4:	C[6]-4:C[5]-3:C[6]-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(C[5]C[5]2)(C[6]C[6]C)(H)	C[6](C[6]C[5]C[6]H)(O[6]C[6])(H)2	H(C[6]C[5]C[6]2)	C[6](C[6]O[6]HH)(C[5]C[5]2)(C[6]C[6]C)(H){1|N<3>,1|S<4>,2|C<4>,4|H<1>}	C[6](C[6]C[5]C[6]H)(O[6]C[6])(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5]C[6]2)	107.4090	0.000	1	107.4090	0.000	1	107.4090	0.000	1	108.0882	0.616	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:2:1:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]2C)	C[6](C[6]O[6]HH)(C[6]C[6]C)(CCH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.6300	0.000	1	107.6300	0.000	1	107.6300	0.000	1	108.0882	0.616	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]S)(CCC)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]HH)(N[6]C[6]S)(CCC)(H){1|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6]C)	107.2190	0.000	1	108.3963	1.040	3	108.3725	0.695	4	108.0882	0.616	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]S)(CCC)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]HH)(N[6]C[6]S)(CCC)(H){1|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]N[6]C)	108.9850	0.004	2	108.3963	1.040	3	108.3725	0.695	4	108.0882	0.616	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]S)(COO)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]HH)(N[6]C[6]S)(COO)(H){1|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]N[6]C)	108.3010	0.000	1	108.3010	0.000	1	108.3725	0.695	4	108.0882	0.616	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:2:2:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]O[6]HO)(C[6]C[6]N)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]O[6]HO)(C[6]C[6]N)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|H<1>,1|N<2>,2|C<4>}	H(C[6]C[6]2N)	107.3180	0.000	1	107.3180	0.000	1	107.3180	0.000	1	107.3180	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:2:3:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCH)(H)	H(C[6]C[6]2C)	C[6](C[6]O[6]CH)(C[6]C[6]O)(COO)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCH)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	108.7770	0.000	1	108.7770	0.000	1	108.7770	0.000	1	108.7770	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:2:4:1:	4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2N[5])	C[6](C[6]O[6]CH)(C[6]C[6]H)(N[5]C[5]2)(H){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	C[6](C[6]C[6]N[5]H)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2N[5])	108.0225	0.760	2	108.0225	0.578	2	108.0225	0.578	2	108.0225	0.578	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCC)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2C)	106.1895	0.330	2	106.1895	0.109	2	107.4360	2.290	4	107.5058	1.378	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCO)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.6825	0.739	2	108.6825	0.546	2	107.4360	2.290	4	107.5058	1.378	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]N[6]O)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H){1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HN)(C[6]N[6]O)(H)2{1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2N)	108.8600	0.000	1	108.8600	0.000	1	108.8600	0.000	1	107.5058	1.378	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(C[6]N[6]O)(NCH)(H)	C[6](C[6]C[6]HN)(S[6]C[6]O)(H)2	H(C[6]C[6]2N)	C[6](C[6]S[6]HH)(C[6]N[6]O)(NCH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]HN)(S[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2N)	105.9350	0.434	2	105.9350	0.188	2	105.9350	0.188	2	107.5058	1.378	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]2)(N[6]C[6]S)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)(C[6]C[6]2)(N[6]C[6]S)(H){1|C<2>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6]2N[6])	107.8910	0.000	1	107.8910	0.000	1	107.8910	0.000	1	107.5058	1.378	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H)	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]C)	108.4810	0.000	1	107.7845	0.970	2	107.4484	0.369	5	107.5058	1.378	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H)	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]N[6]C)	107.0880	0.000	1	107.7845	0.970	2	107.4484	0.369	5	107.5058	1.378	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCC)(H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCC)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[6]C[6]N[6]C)	107.0460	0.000	1	107.0460	0.000	1	107.4484	0.369	5	107.5058	1.378	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.5160	0.000	1	107.5160	0.000	1	107.4484	0.369	5	107.5058	1.378	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]W)(COO)(H)	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]W)(COO)(H){1|N<3>,2|O<1>}	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|W<6>}	H(C[6]C[6]N[6]C)	107.1110	0.000	1	107.1110	0.000	1	107.4484	0.369	5	107.5058	1.378	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(COO)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]C)(COO)(H){1|C<3>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]N[6]C)	108.5040	0.000	1	108.5040	0.000	1	108.5040	0.000	1	107.5058	1.378	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(N[6]C[6]H)(COO)(H)	C[6](C[6]N[6]CH)(S[6]C[6]O)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]S[6]HH)(N[6]C[6]H)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(S[6]C[6]O)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	107.8290	1.620	3	107.8290	2.625	3	107.8290	2.625	3	107.5058	1.378	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:2:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CN)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCH)(H){1|Cl<1>,1|C<4>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CN)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	107.2490	0.000	1	107.2490	0.000	1	107.2490	0.000	1	107.8710	0.967	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:2:1:	4:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6])(H)	H(C[6]C[6]3)	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)(C[6]N[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<1>}	H(C[6]C[6]3)	109.6320	0.000	1	109.6320	0.000	1	109.6320	0.000	1	107.8710	0.967	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:2:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	108.3020	0.000	1	108.3020	0.000	1	107.7825	0.540	2	107.8710	0.967	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:2:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){4|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.2630	0.000	1	107.2630	0.000	1	107.7825	0.540	2	107.8710	0.967	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:2:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	106.9840	0.000	1	106.9840	0.000	1	106.9840	0.000	1	107.8710	0.967	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:2:1:	4:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){3|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7960	0.000	1	107.7960	0.000	1	107.7960	0.000	1	107.8710	0.967	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:2:3:	4:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:O[6]-2:C-3:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]O[6]C)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(COO){1|C<4>,4|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	106.9940	0.000	2	106.3395	0.571	4	106.3395	0.571	4	106.3395	0.571	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:2:3:	4:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:O[6]-2:C-3:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]O[6]C)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(COO){1|C<4>,4|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	105.6850	0.000	2	106.3395	0.571	4	106.3395	0.571	4	106.3395	0.571	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[5,6]P[5,6]C[5])(C[6a]C[6a]2)(H)	C[6](C[6]C[5,6]C[6a]H)(C[5,6]P[5,6]C[5])(C[6a]C[6a]2)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[6]C[5,6]C[6a]H)(C[5,6]P[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|P<3>,2|H<1>,7|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[5,6]P[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|P<3>,2|H<1>,7|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.8445	0.105	2	106.8445	0.011	2	106.8445	0.011	2	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]O)(CCH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]N[6]CH)(C[6]C[6]O)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]H)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2C)	108.6590	0.000	1	108.6590	0.000	1	108.6590	0.000	1	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]C)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]C)2(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]3)	108.6270	0.000	1	108.6270	0.000	1	108.0630	0.196	4	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]H)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)2(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]H)2(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]H)2(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]3)	107.7260	0.175	2	107.8750	0.082	3	108.0630	0.196	4	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]H)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)2(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]H)2(H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]H)2(H){1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]3)	108.1730	0.000	1	107.8750	0.082	3	108.0630	0.196	4	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]N[6]H)(C[6]C[6]C)(C[6]N[6]O)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|N<3>,2|O<1>,3|C<4>}	H(C[6]C[6]3)	107.7130	0.737	2	107.7130	0.543	2	107.7130	0.543	2	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(C[6a]C[6a]2)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(C[6a]C[6a]2)(H){1|S<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	108.6185	0.257	2	108.6185	0.066	2	107.2477	2.528	4	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(C[6a]C[6a]2)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(C[6a]C[6a]2)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(C[6a]C[6a]2)(H){1|S<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	105.8770	0.038	2	105.8770	0.001	2	107.2477	2.528	4	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(H){2|H<1>,7|C<3>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	108.1300	0.000	1	108.1300	0.000	1	108.1300	0.000	1	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]C)(C[6]N[6]O)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|N<3>,2|O<1>,3|C<4>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]C)(C[6]N[6]O)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2N[6])	107.5050	0.574	2	107.5050	0.330	2	107.5050	0.330	2	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|C<4>,2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	108.1470	0.000	1	108.1548	0.210	5	107.4626	1.344	28	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|S<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.9583	0.429	3	108.1548	0.210	5	107.4626	1.344	28	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){2|H<1>,7|C<3>}	H(C[6]C[6a]C[6]2)	108.7520	0.000	1	108.1548	0.210	5	107.4626	1.344	28	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	108.4782	1.104	6	108.1756	0.975	9	107.4626	1.344	28	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.5703	0.164	3	108.1756	0.975	9	107.4626	1.344	28	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	105.9980	0.000	1	106.6178	2.168	5	107.4626	1.344	28	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|S<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.3390	1.474	3	106.6178	2.168	5	107.4626	1.344	28	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){2|H<1>,7|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	105.0740	0.000	1	106.6178	2.168	5	107.4626	1.344	28	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.0150	0.870	6	106.8343	0.612	9	107.4626	1.344	28	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.4730	0.515	3	106.8343	0.612	9	107.4626	1.344	28	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,3|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.7820	0.335	2	106.7820	0.112	2	106.8289	0.231	14	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.6295	0.037	2	106.6295	0.001	2	106.8289	0.231	14	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.9485	0.322	2	106.8782	0.309	10	106.8289	0.231	14	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.5390	0.690	4	106.8782	0.309	10	106.8289	0.231	14	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.2450	0.096	2	106.8782	0.309	10	106.8289	0.231	14	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.1195	0.622	2	106.8782	0.309	10	106.8289	0.231	14	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,3|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	108.0395	0.450	2	108.0395	0.203	2	107.5124	0.669	14	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	108.9420	0.554	2	108.9420	0.307	2	107.5124	0.669	14	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.1510	0.363	2	107.1210	0.223	10	107.5124	0.669	14	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	106.8137	0.442	4	107.1210	0.223	10	107.5124	0.669	14	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.4690	0.553	2	107.1210	0.223	10	107.5124	0.669	14	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.3575	0.501	2	107.1210	0.223	10	107.5124	0.669	14	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]C)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]C)(H){1|P<4>,2|H<1>,3|C<4>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]C)(H){1|Pd<4>,2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.1630	0.000	1	108.2495	0.214	4	107.5625	3.212	19	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]C)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]C)(H){1|Pd<4>,2|H<1>,3|C<4>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]C)(H){1|P<4>,2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.6290	0.000	1	108.2495	0.214	4	107.5625	3.212	19	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]C)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]C)(H){3|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]C)(H){3|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.6030	0.025	2	108.2495	0.214	4	107.5625	3.212	19	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.3490	0.959	2	106.8157	4.099	11	107.5625	3.212	19	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.9493	0.067	3	106.8157	4.099	11	107.5625	3.212	19	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.0680	0.000	1	106.8157	4.099	11	107.5625	3.212	19	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	106.5140	0.000	1	106.8157	4.099	11	107.5625	3.212	19	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	105.7113	3.194	4	106.8157	4.099	11	107.5625	3.212	19	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	109.1150	0.000	1	109.1150	0.000	1	107.5625	3.212	19	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	108.2400	0.000	1	108.2400	0.000	1	107.5625	3.212	19	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	109.1805	0.220	2	109.1805	0.048	2	107.5625	3.212	19	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]H)(COO)(H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(CCH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]C[6]H)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	108.1560	0.000	1	108.1560	0.000	1	108.1560	0.000	1	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(H){2|H<1>,7|C<3>}	H(C[6]C[6a]C[6]N[6])	107.1480	0.000	1	107.1480	0.000	1	107.1480	0.000	1	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,2|O<2>,6|C<3>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,2|O<2>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	107.5240	0.899	2	108.3229	1.154	12	108.3229	1.154	12	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:1:	4:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,6|C<3>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	108.4827	1.073	10	108.3229	1.154	12	108.3229	1.154	12	107.5310	1.411	105	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:2:	4:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:S-2:	C[6]-4:	C[6](C[6]C[6a]C[6]S)(C[6]C[5,6]N)(C[6a]C[6a]2)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(C[6a]C[6a]2)(SC)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]S)(C[6]C[5,6]N)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(C[6a]C[6a]2)(SC){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.2530	0.000	1	107.2530	0.000	1	107.2530	0.000	1	107.0845	0.057	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:2:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:N-2:	C[6]-4:	C[6](C[6]C[6a]C[6]N)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(NC)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]N)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(NC){4|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.9160	0.000	1	106.9160	0.000	1	106.9160	0.000	1	107.0845	0.057	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:3:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6a]C[6]N)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(NCH)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]N)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(NCH){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	105.2800	0.000	1	105.2800	0.000	1	105.2800	0.000	1	106.0230	1.104	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:3:	4:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:N[6]-3:C[6a]-3:C-3:	C[6]-4:	C[6](C[6]C[6a]N[6]C)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]C)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,6|C<3>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(COO){3|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	106.7660	0.000	1	106.7660	0.000	1	106.7660	0.000	1	106.0230	1.104	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:4:	4:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]N[6]C)(C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)(CH3)	H(C[6]C[6]3)	C[6](C[6]C[6]N[6]C)(C[6]C[6]H)(C[6]N[6]O)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	H(C[6]C[6]3)	108.3610	0.000	1	108.3610	0.000	1	108.3610	0.000	1	107.7847	0.250	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH){3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.4965	0.046	2	107.4965	0.002	2	107.4965	0.002	2	107.7847	0.250	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]O)(COO)(H)	C[6](C[5,6]C[5]2C[6])(C[5a]C[5a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]O)(COO)(H){2|C<3>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[5a]C[5a]2)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<1>,2|N<3>,2|O<2>,7|H<1>}	H(C[6]C[6]2C)	106.8750	0.000	1	106.8750	0.000	1	106.8750	0.000	1	108.0362	3.731	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])(COO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])(COO)(H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,4|H<1>,5|C<3>}	H(C[6]C[6]2C)	106.4530	0.000	1	106.4530	0.000	1	106.4530	0.000	1	108.0362	3.731	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.8470	0.000	1	107.8470	0.000	1	109.3720	5.132	3	108.0362	3.731	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(COO)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CC[6a]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]H)(COO)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]O)(CC[6a]HH)(H){1|C<3>,1|H<1>}	H(C[6]C[6]2C)	111.9750	0.000	1	111.9750	0.000	1	109.3720	5.132	3	108.0362	3.731	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]O)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]O[6]O)(COO)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	108.2940	0.000	1	108.2940	0.000	1	109.3720	5.132	3	108.0362	3.731	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCO)(H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCO)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	111.9370	0.000	1	111.9370	0.000	1	107.9682	3.872	6	108.0362	3.731	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(CC[6a]O)(H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(CC[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	107.1190	0.000	1	107.1190	0.000	1	107.9682	3.872	6	108.0362	3.731	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[5a,6]O)(COO)(H)	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[5a,6]O)(COO)(H){1|H<1>,5|C<3>}	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	107.0695	0.265	2	107.0695	0.070	2	107.9682	3.872	6	108.0362	3.731	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]O)(COO)(H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]O)(COO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|Br<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	106.9030	0.000	1	107.3070	0.326	2	107.9682	3.872	6	108.0362	3.731	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]O)(COO)(H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]O)(COO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.7110	0.000	1	107.3070	0.326	2	107.9682	3.872	6	108.0362	3.731	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]O)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]C)(CH3)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]O[6]O)(NCH)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]HN)(C[6]C[6]C)(CH3)(H){1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2N)	108.2800	0.000	1	108.2800	0.000	1	108.2800	0.000	1	108.0362	3.731	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(NOO)(H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(NOO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	H(C[6]C[6]2N)	113.5780	0.000	1	113.5780	0.000	1	113.5780	0.000	1	108.0362	3.731	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:S-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]H)(SC[6a]O)(H)	C[6](C[6]C[6]HS)(N[6]C[6]S)(CCHH)(H)	H(C[6]C[6]2S)	C[6](C[6]N[6]CH)(C[6]C[6]H)(SC[6a]O)(H){1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]HS)(N[6]C[6]S)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2S)	109.6365	0.159	2	109.6365	0.025	2	109.6365	0.025	2	108.0362	3.731	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:4:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|H<1>,3|C<2>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.2120	0.000	1	107.2120	0.000	1	107.1066	0.776	5	108.0362	3.731	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:4:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<2>,1|P<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H){3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.7670	0.000	1	107.8120	0.004	2	107.1066	0.776	5	108.0362	3.731	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:4:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,3|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H){3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.8570	0.000	1	107.8120	0.004	2	107.1066	0.776	5	108.0362	3.731	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:4:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,5|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.0360	0.000	1	107.0360	0.000	1	107.1066	0.776	5	108.0362	3.731	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:4:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	105.6610	0.000	1	105.6610	0.000	1	107.1066	0.776	5	108.0362	3.731	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:4:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:P[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]P[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(P[6]O[6]OO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]P[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<1>,2|H<1>,2|O<2>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(P[6]O[6]OO)(H){3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.7800	0.000	1	106.7800	0.000	1	106.7800	0.000	1	108.0362	3.731	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:4:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:Cl-1:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(Cl)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6]ClC)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(Cl){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.4480	0.050	3	107.4480	0.003	3	107.4480	0.003	3	108.0362	3.731	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]Rh)(COO)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(CH3)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]C[6]Rh)(COO)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(CH3)(H){1|Rh<8>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]C)	105.8640	0.000	1	105.8640	0.000	1	105.8640	0.000	1	108.0362	3.731	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[6]HH)(C[6]C[6]C)(CCC)(H)	C[6](B[6]C[6a]2O[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]B[6]HH)(C[6]C[6]C)(CCC)(H){2|C<3>,2|O<2>}	C[6](B[6]C[6a]2O[6])(C[6]C[6]CH)(H)2{6|C<3>}	H(C[6]C[6]2C)	107.3770	0.000	1	107.3770	0.000	1	107.3770	0.000	1	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]H)(COO)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]H)(COO)(H){1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.6850	0.000	1	108.6850	0.000	1	108.7810	0.018	2	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCO)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2C)	108.8770	0.000	1	108.8770	0.000	1	108.7810	0.018	2	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[3x6]H)(COO)(H)	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[3x6]H)(COO)(H){1|H<1>,3|C<4>}	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]2C)	108.4340	0.000	1	108.4340	0.000	1	107.4988	1.438	4	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CCC)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CCC)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]C[6]2C)	106.5785	0.962	2	106.5785	0.926	2	107.4988	1.438	4	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CCO)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CCO)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6]2C)	108.4040	0.000	1	108.4040	0.000	1	107.4988	1.438	4	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:O-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CCH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)(O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]2C)	106.6800	0.000	1	106.6800	0.000	1	106.6800	0.000	1	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]Br)(COO)(H)	C[6](C[6]C[6]BrC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(COO)(H){1|Br<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]BrC)(C[6]C[6]CH)(H)2{1|Br<1>,1|C<3>,1|O<1>}	H(C[6]C[6]2C)	108.6350	0.000	1	108.6350	0.000	1	107.2659	1.810	20	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.9010	0.000	1	107.6230	0.155	2	107.2659	1.810	20	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2C)	107.3450	0.000	1	107.6230	0.155	2	107.2659	1.810	20	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{2|C<3>}	H(C[6]C[6]2C)	107.0575	0.349	2	107.0575	0.122	2	107.2659	1.810	20	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)(H){1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2C)	108.3700	0.000	1	108.3700	0.000	1	107.2659	1.810	20	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)(H){1|C<3>,1|C<4>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]CO)(H)2{2|C<3>}	H(C[6]C[6]2C)	107.7515	2.637	2	107.7515	6.953	2	107.2659	1.810	20	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)(H){1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]HO)(H)2{2|C<3>}	H(C[6]C[6]2C)	107.2110	0.000	1	107.2110	0.000	1	107.2659	1.810	20	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]OO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCO)(H){1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]OO)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.9450	0.000	1	108.9450	0.000	1	107.2659	1.810	20	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	104.7560	0.000	1	104.7560	0.000	1	107.2659	1.810	20	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	106.5433	0.745	4	106.5433	0.555	4	107.2659	1.810	20	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2C)	107.6900	0.000	1	107.6900	0.000	1	107.2659	1.810	20	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(CNO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CN)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]C)(CNO)(H){1|C<3>,2|N<3>}	C[6](C[6]C[6]CH)(C[6]N[6]CN)(H)2{1|C<3>,1|C<4>,1|N<2>}	H(C[6]C[6]2C)	109.2180	0.000	1	109.2180	0.000	1	107.2659	1.810	20	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2C)	107.2270	0.000	1	107.2270	0.000	1	107.2659	1.810	20	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]O)(COO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2C)	107.4820	0.000	1	106.1145	3.740	2	107.2659	1.810	20	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]O)(COO)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	104.7470	0.000	1	106.1145	3.740	2	107.2659	1.810	20	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]2)(C[6]N[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]HH)(C[6]C[6]2)(C[6]N[6]O)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]3)	106.3510	0.000	1	106.3510	0.000	1	106.9340	0.680	2	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]Pt)(C[6]C[6]2)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]HH)(C[6]C[6]Pt)(C[6]C[6]2)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|Pt<4>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]3)	107.5170	0.000	1	107.5170	0.000	1	106.9340	0.680	2	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(NCH)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(NCH)(H){1|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HN)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[6]2N)	106.2050	0.000	1	106.2050	0.000	1	106.2050	0.000	1	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]H)(NCH)(H)	C[6](C[6]C[6]HN)2(Br)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(NCH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HN)2(Br)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2N)	105.9160	0.000	1	105.9160	0.000	1	105.9160	0.000	1	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|Br<1>,1|C<3>,2|H<1>}	H(C[6]C[6]2N)	108.3800	0.000	1	108.3800	0.000	1	107.9716	5.180	29	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|Br<1>,1|C<3>,2|H<1>}	H(C[6]C[6]2N)	108.4155	0.422	2	108.4155	0.178	2	107.9716	5.180	29	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NC[5]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NC[5]H)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|Br<1>,1|C<3>,2|H<1>}	H(C[6]C[6]2N)	107.4260	0.000	1	107.4260	0.000	1	107.9716	5.180	29	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NC[5]H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NC[5]H)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2{1|Br<1>,1|C<3>,2|H<1>}	H(C[6]C[6]2N)	106.7255	0.452	2	106.7255	0.204	2	107.9716	5.180	29	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCS)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCS)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2N)	107.9120	0.000	1	107.9120	0.000	1	107.9716	5.180	29	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<2>,1|C<4>,2|H<1>}	H(C[6]C[6]2N)	108.0780	0.000	1	108.0780	0.000	1	107.9716	5.180	29	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NSS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NSS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<2>,1|C<4>,2|H<1>}	H(C[6]C[6]2N)	104.9833	0.205	3	104.9833	0.042	3	107.9716	5.180	29	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCS)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2N)	107.1740	0.000	1	107.1740	0.000	1	107.9716	5.180	29	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]C)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2N)	112.5230	0.000	1	108.3408	5.536	5	107.9716	5.180	29	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]C)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2N)	107.2953	0.306	4	108.3408	5.536	5	107.9716	5.180	29	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2N)	108.0620	0.000	1	108.1485	0.015	2	107.9716	5.180	29	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2N)	108.2350	0.000	1	108.1485	0.015	2	107.9716	5.180	29	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NHS)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2N)	108.2710	0.000	1	108.2710	0.000	1	107.9716	5.180	29	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]N)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2N)	108.4040	0.000	1	108.4040	0.000	1	107.9716	5.180	29	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCC)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2N)	106.2410	0.000	1	106.2410	0.000	1	107.9716	5.180	29	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|N<3>,2|O<1>}	H(C[6]C[6]2N)	114.0025	2.829	2	112.3917	11.786	3	107.9716	5.180	29	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2N)	109.1700	0.000	1	112.3917	11.786	3	107.9716	5.180	29	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2N)	108.5570	0.000	1	108.5570	0.000	1	107.9716	5.180	29	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(NCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]O[6]O)(NCH)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2N)	107.1200	0.000	1	107.1200	0.000	1	107.9716	5.180	29	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(NCH)(H)	C[6](C[6]C[6]CN)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]O[6]O)(NCH)(H){1|N<2>,2|C<4>}	C[6](C[6]C[6]CN)(C[6]C[6]HN)(H)2{1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2N)	106.6680	0.000	1	106.6680	0.000	1	107.9716	5.180	29	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]O[6]O)(NCH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2N)	106.5380	0.000	1	106.5380	0.000	1	107.9716	5.180	29	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[5,6]O)(N[5]C[5]2)(H)	C[6](C[5,6]C[5,5,6]C[5,6a]F)(C[6]C[6]N[5]H)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[5,6]HH)(C[6]N[5,6]O)(N[5]C[5]2)(H){1|F<1>,2|C<4>,2|O<1>,3|C<3>}	C[6](C[5,6]C[5,5,6]C[5,6a]F)(C[6]C[6]N[5]H)(H)2{1|H<1>,1|O<1>,2|N<3>,4|C<3>}	H(C[6]C[6]2N[5])	105.1150	0.000	1	105.1150	0.000	1	105.1150	0.000	1	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]C[6]H)(N[5]C[5]2)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2N[5])	107.1190	0.000	1	107.1190	0.000	1	107.2966	0.122	17	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|O<1>}	H(C[6]C[6]2N[5])	107.6415	0.292	2	107.3444	0.111	13	107.2966	0.122	17	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]2N[5])	107.3920	0.000	1	107.3444	0.111	13	107.2966	0.122	17	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|O<1>}	H(C[6]C[6]2N[5])	107.0610	0.000	1	107.3444	0.111	13	107.2966	0.122	17	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){1|O<1>,3|C<3>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<1>}	H(C[6]C[6]2N[5])	107.0727	0.424	4	107.3444	0.111	13	107.2966	0.122	17	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){2|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|O<1>}	H(C[6]C[6]2N[5])	107.4900	0.110	5	107.3444	0.111	13	107.2966	0.122	17	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(H)2{1|N<3>,2|C<3>,2|O<1>}	H(C[6]C[6]2N[5])	107.0270	0.000	1	107.0270	0.000	1	107.2966	0.122	17	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]O[6]O)(N[5]C[5]2)(H){2|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|O<1>}	H(C[6]C[6]2N[5])	107.2095	0.681	2	107.2095	0.464	2	107.2966	0.122	17	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[5,6]O)(N[6]C[6]2)(H)	C[6](C[5,6]C[5,5,6]C[5,6a]O)(C[6]C[6]N[6]H)(H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[5,6]HH)(C[6]N[5,6]O)(N[6]C[6]2)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,5,6]C[5,6a]O)(C[6]C[6]N[6]H)(H)2{1|H<1>,1|O<1>,2|N<3>,4|C<3>}	H(C[6]C[6]2N[6])	107.1480	0.000	1	107.1480	0.000	1	107.1480	0.000	1	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]H)(N[6]C[6]2)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]BrH)(C[6]C[6]H)(N[6]C[6]2)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(Br)(H){3|C<3>,3|H<1>}	H(C[6]C[6]2N[6])	108.8250	0.000	1	108.8250	0.000	1	108.8250	0.000	1	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:N[6a]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[5,6]O)(N[6a]C[6a]2)(H)	C[6](C[5,6]C[5,5,6]C[5,6a]O)(C[6]N[6a]C[6]H)(H)2	H(C[6]N[6a]C[6]2)	C[6](C[6]C[5,6]HH)(C[6]N[5,6]O)(N[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,5,6]C[5,6a]O)(C[6]N[6a]C[6]H)(H)2{1|H<1>,1|O<1>,2|N<3>,4|C<3>}	H(C[6]N[6a]C[6]2)	107.1915	0.004	2	107.1915	0.000	2	107.1915	0.000	2	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:S-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(SC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]C[6]O)(SC[6a]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2S)	107.5840	0.000	1	107.5840	0.000	1	107.5840	0.000	1	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[3,5,6]C[5,6a]C[3,6]N[3,5])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[3,5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[3,5,6]C[5,6a]C[3,6]N[3,5])(C[6]C[6a]C[6]H)(H)2{1|H<1>,1|S<4>,6|C<3>}	H(C[6]C[6a]C[6]2)	108.2120	0.000	1	108.2120	0.000	1	108.2120	0.000	1	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[3,6]C[3,6]C[6a]O[3])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[3,6]C[3,6]C[6a]O[3])(C[6]C[6a]C[6]H)(H)2{1|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	107.4780	0.000	1	107.4780	0.000	1	107.1185	0.258	2	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]S)(H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]S)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6a]C[6]H)(H)2{2|H<1>,2|S<4>,3|C<3>}	H(C[6]C[6a]C[6]2)	106.7590	0.000	1	106.7590	0.000	1	107.1185	0.258	2	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[5,6]N[5,6]C[6a]N[5])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|H<1>,2|N<3>,4|C<3>}	C[6](C[5,6]N[5,6]C[6a]N[5])(C[6]C[6a]C[6]H)(H)2{1|H<1>,2|C<4>,6|C<3>}	H(C[6]C[6a]C[6]2)	105.8570	0.000	1	105.8570	0.000	1	105.5905	0.142	2	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6a]C[6]H)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	105.3240	0.000	1	105.3240	0.000	1	105.5905	0.142	2	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|N<2>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.8800	0.000	1	106.8800	0.000	1	107.0480	0.199	4	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|S<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.4085	0.056	2	107.4085	0.003	2	107.0480	0.199	4	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]2H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6]N[6,6]2H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|H<1>,1|S<4>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.4950	0.000	1	106.4950	0.000	1	107.0480	0.199	4	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6a]N[6]H)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[6]C[6a]C[6]N[6])	107.0540	0.000	1	107.7285	0.910	2	107.7285	0.910	2	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|Br<1>,1|C<4>,1|N<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6a]N[6]H)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6a]C[6]N[6])	108.4030	0.000	1	107.7285	0.910	2	107.7285	0.910	2	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6,6]H)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2{2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	108.8930	0.000	1	108.8930	0.000	1	108.5827	0.398	3	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2{1|C<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.9980	0.000	1	108.9980	0.000	1	108.5827	0.398	3	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]S[6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]S[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.8570	0.000	1	107.8570	0.000	1	108.5827	0.398	3	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(Br)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	108.0630	0.000	1	108.0630	0.000	1	108.1104	0.238	5	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6](C[6]C[6a]N[6]H)(C[6]O[6]HH)(Br)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(N[6]C[6]S)(H){1|O<1>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]O[6]HH)(Br)(H){1|S<4>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.6725	0.340	2	108.1223	0.316	4	108.1104	0.238	5	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6](C[6]C[6a]N[6]H)(C[6]O[6]HH)(Br)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(N[6]C[6]S)(H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]O[6]HH)(Br)(H){1|S<4>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.5720	0.153	2	108.1223	0.316	4	108.1104	0.238	5	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(COO)(H)	C[6](C[5,5,6]C[5,5,6]C[5,6a]O[5])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(COO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]O[5])(C[6]N[6]CH)(H)2{1|N<3>,2|C<4>,4|C<3>}	H(C[6]C[6]N[6]C)	106.5980	0.000	1	106.5980	0.000	1	106.5980	0.000	1	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[5,6]C)(COO)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[5,6]HH)(N[6]C[5,6]C)(COO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	106.5730	0.000	1	106.5730	0.000	1	107.3460	0.611	4	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CNO)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CNO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]N[6]CH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]C)	106.9030	0.000	1	106.9030	0.000	1	107.3460	0.611	4	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(COO)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(COO)(H){1|C<4>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]CH)(H)2{1|N<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	108.3420	0.000	1	108.3420	0.000	1	107.3460	0.611	4	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]S[6]H)(CCH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[5,6]HH)(N[6]S[6]H)(CCH)(H){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]N[6]CH)(H)2{1|S<4>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	107.5660	0.000	1	107.5660	0.000	1	107.3460	0.611	4	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(CNO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(CNO)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]CH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]N[6]C)	108.6560	0.263	2	108.6560	0.069	2	108.4830	0.124	3	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(CCC)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(CCC)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]CH)(H)2{1|S<4>,3|C<3>}	H(C[6]C[6]N[6]C)	108.1370	0.000	1	108.1370	0.000	1	108.4830	0.124	3	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCC)(H)	C[6](C[6]N[6]CH)(C[6]O[6]HH)(Br)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCC)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]O[6]HH)(Br)(H){1|C<3>,1|S<4>}	H(C[6]C[6]N[6]C)	108.6000	0.000	1	108.6000	0.000	1	108.8078	0.050	6	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCH)(H)	C[6](C[6]N[6]CH)(C[6]O[6]HH)(Br)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCH)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]O[6]HH)(Br)(H){1|C<3>,1|S<4>}	H(C[6]C[6]N[6]C)	108.8494	0.224	5	108.8494	0.050	5	108.8078	0.050	6	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(N[6]C[6]H)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(F)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]FH)(N[6]C[6]H)(CNO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(F)(H){1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	106.3000	0.000	1	106.3000	0.000	1	106.3000	0.000	1	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	108.3200	0.000	1	108.3200	0.000	1	108.3207	0.961	41	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	111.7660	0.000	1	111.7660	0.000	1	108.3207	0.961	41	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.4490	0.661	11	107.4490	0.436	11	108.3207	0.961	41	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	109.2380	0.040	2	109.2380	0.002	2	108.3207	0.961	41	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H){1|H<1>,1|S<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	108.3000	0.000	1	107.6550	0.832	2	108.3207	0.961	41	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H){1|P<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]C)	107.0100	0.000	1	107.6550	0.832	2	108.3207	0.961	41	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	108.5300	0.000	1	108.7893	0.114	3	108.3207	0.961	41	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]N[6]C)	109.1720	0.000	1	108.7893	0.114	3	108.3207	0.961	41	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	108.6660	0.000	1	108.7893	0.114	3	108.3207	0.961	41	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CNO)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CNO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	108.8980	0.000	1	108.8980	0.000	1	108.3207	0.961	41	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(COO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	108.0160	0.055	2	108.0160	0.003	2	108.3207	0.961	41	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(COO)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]C)	108.5840	0.000	1	108.5840	0.000	1	108.3207	0.961	41	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(COO)(H)	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(COO)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	108.0927	0.333	3	108.0927	0.111	3	108.3207	0.961	41	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(COO)(H)	C[6](C[6]N[6]CH)2(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(COO)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)2(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	108.4985	1.199	2	108.4985	1.437	2	108.3207	0.961	41	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H)	C[6](C[6]C[3]C[6]H)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[3]C[6]H)(C[6]N[6]CH)(H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	108.1660	0.000	1	108.1660	0.000	1	108.3207	0.961	41	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|S<4>,2|C<4>}	H(C[6]C[6]N[6]C)	107.8490	0.000	1	107.8490	0.000	1	108.3207	0.961	41	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H)	C[6](C[6]N[6]CH)(C[6]O[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]N[6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|S<4>}	H(C[6]C[6]N[6]C)	108.5895	0.268	2	108.5895	0.072	2	108.3207	0.961	41	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCS)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCS)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<3>,1|S<2>,1|S<4>}	H(C[6]C[6]N[6]C)	108.5080	0.000	1	108.5080	0.000	1	108.3207	0.961	41	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]N[6]C)(CC[6a]C)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]N[6]C)(CC[6a]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|N<3>,3|C<3>}	H(C[6]C[6]N[6]C)	107.6360	0.000	1	107.6360	0.000	1	108.3207	0.961	41	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]N[6]H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]N[6]H)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|N<3>,3|H<1>}	H(C[6]C[6]N[6]C)	109.4010	0.628	4	109.4010	0.395	4	108.3207	0.961	41	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]S[6]H)(CCH)(H)	C[6](C[6]C[6]O[6]H)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]S[6]H)(CCH)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	C[6](C[6]C[6]O[6]H)(C[6]N[6]CH)(H)2{1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	108.8220	0.000	1	108.8220	0.000	1	108.3207	0.961	41	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]S[6]H)(COO)(H)	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]S[6]H)(COO)(H){1|N<3>,2|H<1>,2|O<1>}	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6]C)	108.4150	0.000	1	108.4150	0.000	1	108.3207	0.961	41	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[6]HI)(N[6]C[6]S)(CCH)(H)	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)(I)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HI)(N[6]C[6]S)(CCH)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)(I){1|S<4>,2|C<3>}	H(C[6]C[6]N[6]C)	108.2910	0.000	1	108.2910	0.000	1	108.2910	0.000	1	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:N-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(NCO)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HN)(H)2	H(C[6]C[6]N[6]N)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(NCO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HN)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]N)	106.0450	0.000	1	106.0450	0.000	1	106.0450	0.000	1	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HN)(H)2	H(C[6]C[6]N[6]N)	C[6](C[6]C[6]HH)(N[6]C[6]S)(NHS)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HN)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]N)	108.2395	0.125	2	108.2395	0.016	2	108.2395	0.016	2	107.7749	1.881	163	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CCH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2C)	105.0470	0.000	1	105.0470	0.000	1	105.0470	0.000	1	107.6047	1.593	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]C[6]C)(NCH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H){2|C<3>}	H(C[6]C[6]2N)	109.0680	0.000	1	109.0680	0.000	1	107.6596	1.409	7	107.6047	1.593	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2N)	106.9070	0.000	1	106.9070	0.000	1	107.6596	1.409	7	107.6047	1.593	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2N)	106.9050	1.868	2	106.9050	3.490	2	107.6596	1.409	7	107.6047	1.593	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(NC[6a]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NC[6a]C)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HN)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2N)	107.5400	0.231	2	107.5400	0.053	2	107.6596	1.409	7	107.6047	1.593	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(NHH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NHH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2N)	108.7520	0.000	1	108.7520	0.000	1	107.6596	1.409	7	107.6047	1.593	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CNO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	109.0870	0.000	1	109.0870	0.000	1	108.3470	1.095	2	107.6047	1.593	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H){1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	107.6070	0.000	1	107.6070	0.000	1	108.3470	1.095	2	107.6047	1.593	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HN)(OH)(H)	H(C[6]C[6]N[6]N)	C[6](C[6]C[6]HO)(N[6]C[6]C)(NCH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HN)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]N)	107.9490	0.272	2	107.9490	0.074	2	107.9490	0.074	2	107.6047	1.593	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:2:2:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C[6]-4:C-2:C-2:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(COO)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(CN)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(CN)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2C)	108.2730	0.000	1	108.2730	0.000	1	108.2730	0.000	1	108.3513	0.230	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:2:2:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(COO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CN)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]C)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CN)2{2|H<1>,4|C<3>}	H(C[6]C[6]2C)	107.9160	0.000	1	107.9160	0.000	1	107.9160	0.000	1	108.3513	0.230	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:2:2:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6]C[6]OO)(C[6]C[6]H)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)2	H(C[6]C[6]2C)	C[6](C[6]C[6]OO)(C[6]C[6]H)(CCH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)2{2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.8650	0.000	1	108.8650	0.000	1	108.8650	0.000	1	108.3513	0.230	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:3:1:	4:	C[6]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|O<2>,3|C<4>,4|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,5|C<3>,5|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.9120	0.000	1	106.9120	0.000	1	106.9120	0.000	1	107.6825	3.018	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:3:1:	4:	C[6]-4:C[5]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]C)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(CCH)(H)	H(C[6]C[5]C[6]2)	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]C)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5]C[6]2)	107.5580	0.164	4	107.5580	0.027	4	107.5580	0.027	4	107.6825	3.018	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:3:1:	4:	C[6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]2O[6])(C[6a]C[6a]2)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,3|H<1>,6|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]2O[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	H(C[6]C[6,6]C[6a]C[6])	109.4550	0.000	1	109.4550	0.000	1	109.4550	0.000	1	107.6825	3.018	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(CCH)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(CCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(COO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2C)	109.1750	0.000	1	109.1750	0.000	1	107.9717	1.086	3	107.6825	3.018	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CCH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[5]O)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CCH)(H){1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[5]O)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.3570	0.000	1	107.3700	0.000	2	107.9717	1.086	3	107.6825	3.018	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CCH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[5]O)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CCH)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[5]O)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.3830	0.000	1	107.3700	0.000	2	107.9717	1.086	3	107.6825	3.018	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CCC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CCC)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHO)(H){1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6]2C)	106.1110	0.000	1	106.1110	0.000	1	107.2110	2.420	2	107.6825	3.018	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(COO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(COO)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.3110	0.000	1	108.3110	0.000	1	107.2110	2.420	2	107.6825	3.018	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CNO)(H)	C[6](C[6]C[6]CH)2(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CNO)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(COO)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2C)	108.0005	3.265	2	108.0005	10.658	2	107.5450	5.952	3	107.6825	3.018	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCC)(H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H){1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2C)	106.6340	0.000	1	106.6340	0.000	1	107.5450	5.952	3	107.6825	3.018	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CO)(CCO)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]CH)(C[6]C[6]2)(C[6]C[6]C)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]2H)(C[6]C[6]CO)(CCO)(H){2|H<1>,4|C<3>}	H(C[6]C[6]3)	109.1700	0.000	1	109.1700	0.000	1	109.1700	0.000	1	107.6825	3.018	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(NCC)(H)	C[6](C[6]C[6]HN)(C[6]S[6]HH)(CN[5]O)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]C)(NCC)(H){1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]S[6]HH)(CN[5]O)(H){2|C<3>}	H(C[6]C[6]2N)	112.7660	0.000	1	112.7660	0.000	1	108.9673	6.647	4	107.6825	3.018	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(NCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(COO)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]C)(NCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HN)(COO)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2N)	107.3735	0.237	2	107.3735	0.056	2	108.9673	6.647	4	107.6825	3.018	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[5a]O)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]H)(NCH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[5a]O)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2N)	108.3560	0.000	1	108.3560	0.000	1	108.9673	6.647	4	107.6825	3.018	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]C)(NCH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(NOO)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HN)(C[6]C[6]C)(NCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(NOO)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]2N)	107.8620	0.208	2	107.8620	0.043	2	106.7781	9.937	7	107.6825	3.018	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]H)(NCH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(NOO)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HN)(C[6]C[6]H)(NCH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(NOO)(H){3|C<3>,3|H<1>}	H(C[6]C[6]2N)	108.2783	0.694	3	108.2783	0.481	3	106.7781	9.937	7	107.6825	3.018	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]H)(NPtH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPtH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HN)(C[6]C[6]H)(NPtH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPtH)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2N)	107.1370	0.000	1	107.1370	0.000	1	106.7781	9.937	7	107.6825	3.018	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]H)(NSnC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NSnC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HN)(C[6]C[6]H)(NSnC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NSnC)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2N)	99.7505	0.000	1	99.7505	0.000	1	106.7781	9.937	7	107.6825	3.018	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]H)(N[5]C[5]2)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N[5]H)(NOO)(H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HN)(C[6]C[6]H)(N[5]C[5]2)(H){1|C<3>,4|H<1>,5|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N[5]H)(NOO)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2N[5])	106.9260	0.000	1	106.9260	0.000	1	106.9260	0.000	1	107.6825	3.018	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]N[6]O)(N[6]N[6]C)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]2H)(C[6]N[6]O)(N[6]N[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|H<1>}	H(C[6]C[6]2N[6])	110.6730	0.000	1	110.6730	0.000	1	110.6730	0.000	1	107.6825	3.018	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[3,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[3,6]CH)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6a]C[6]H)(COO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[3,6]CH)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6a]C[6]H)(COO)(H){1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.5600	0.000	1	107.5600	0.000	1	107.5600	0.000	1	107.6825	3.018	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(CHO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(CHO)(H){2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.3370	0.000	1	107.3370	0.000	1	107.3370	0.000	1	107.6825	3.018	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.3510	0.000	1	106.3510	0.000	1	106.3510	0.000	1	107.6825	3.018	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(NOO)(H){2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.3330	0.000	1	107.3330	0.000	1	108.0325	0.979	2	107.6825	3.018	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6a]C[6]H)(NOO)(H){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6a]C[6]2)	108.7320	0.000	1	108.7320	0.000	1	108.0325	0.979	2	107.6825	3.018	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CCH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CCH)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.4040	0.000	1	106.4040	0.000	1	106.9980	0.706	2	107.6825	3.018	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(COO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(COO)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.5920	0.000	1	107.5920	0.000	1	106.9980	0.706	2	107.6825	3.018	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.6700	0.000	1	106.6700	0.000	1	106.6700	0.000	1	107.6825	3.018	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Br<1>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H){7|C<3>}	H(C[6]C[6a]C[6]2)	107.3460	0.000	1	107.5020	0.147	5	107.5020	0.147	5	107.6825	3.018	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	107.2175	0.295	2	107.5020	0.147	5	107.5020	0.147	5	107.6825	3.018	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H){1|H<1>,2|C<4>,5|C<3>}	H(C[6]C[6a]C[6]2)	108.0240	0.000	1	107.5020	0.147	5	107.5020	0.147	5	107.6825	3.018	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	107.7050	0.000	1	107.5020	0.147	5	107.5020	0.147	5	107.6825	3.018	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]H)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6]HH)(C[6a]C[6a]2)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]H)(H){2|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6]HH)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	109.3390	0.000	1	109.3390	0.000	1	109.3390	0.000	1	107.6825	3.018	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:3:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(COO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCC)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]C[6]C)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCC)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]C)	105.7510	0.000	1	105.7510	0.000	1	106.8903	1.157	3	107.6825	3.018	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:3:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCC)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]C[6]H)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.0320	0.000	1	107.0320	0.000	1	106.8903	1.157	3	107.6825	3.018	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:3:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]H)(COO)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(CCH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]C[6]H)(COO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.8880	0.000	1	107.8880	0.000	1	106.8903	1.157	3	107.6825	3.018	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:3:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(N[6]C[6]C)(COO)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]CH)(NOO)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HN)(N[6]C[6]C)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]CH)(NOO)(H){2|C<4>,4|C<3>}	H(C[6]C[6]N[6]C)	108.3960	0.000	1	108.3960	0.000	1	108.3960	0.000	1	107.6825	3.018	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:3:1:	4:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6]-4:B[5]-3:H-1:	C[6]-4:	C[6](C[6]B[5]C[6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(B[5]O[5]2)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]B[5]C[6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){2|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(B[5]O[5]2)(H){2|C<4>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7760	0.000	1	107.7760	0.000	1	107.7760	0.000	1	107.6825	3.018	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:3:1:	4:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,7|C<3>}	H(C[6]C[6a]C[6]N[6])	109.4350	0.000	1	109.4350	0.000	1	109.4350	0.000	1	107.6825	3.018	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:3:4:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(CCH)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(CH3){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.8585	0.612	2	107.8585	0.374	2	107.8585	0.374	2	107.8585	0.374	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3x6]CH)(C[6]O[6]O)(CCO)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[3x6]CH)(C[6]O[6]O)(CCO)(H){1|H<1>,2|C<4>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2C)	106.9210	0.000	1	106.9210	0.000	1	106.9210	0.000	1	107.7247	0.567	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(COO)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(COO)(H){1|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	108.2230	0.000	1	108.2230	0.000	1	108.2230	0.000	1	107.7247	0.567	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6a]O)(H)	C[6](C[6]C[6]CH)2(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	108.2320	0.000	1	108.2320	0.000	1	108.0826	1.035	5	107.7247	0.567	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CNO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CNO)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(H){2|H<1>,4|C<3>}	H(C[6]C[6]2C)	109.5970	0.000	1	109.5970	0.000	1	108.0826	1.035	5	107.7247	0.567	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(COO)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]H)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)(H){1|H<1>,3|C<3>}	H(C[6]C[6]2C)	106.7990	0.000	1	106.7990	0.000	1	108.0826	1.035	5	107.7247	0.567	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(COO)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2C)	107.8925	0.322	2	107.8925	0.104	2	108.0826	1.035	5	107.7247	0.567	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]N[6]O)(CNO)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]2H)(C[6]N[6]O)(CNO)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,2|O<1>,4|H<1>}	H(C[6]C[6]2C)	108.0085	0.469	2	108.0085	0.220	2	108.0085	0.220	2	107.7247	0.567	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]O[6]O)(NCH)(H)	C[6](C[5]C[5]2Fe)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[5]C[6]H)(C[6]O[6]O)(NCH)(H){1|Fe<10>,2|H<1>,3|C<4>}	C[6](C[5]C[5]2Fe)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2N)	106.0500	0.000	1	106.0500	0.000	1	106.0500	0.000	1	107.7247	0.567	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(NC[6a]O)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HN)(CH3)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]H)(NC[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HN)(CH3)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2N)	107.9300	0.000	1	107.9300	0.000	1	107.9300	0.000	1	107.7247	0.567	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]C)(N[6]C[6]S)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]2H)(C[6]C[6]C)(N[6]C[6]S)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)2(H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N[6])	107.0755	0.573	2	107.0755	0.329	2	107.4952	0.345	4	107.7247	0.567	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]O)(N[6]C[6]C)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]2H)(C[6]C[6]O)(N[6]C[6]C)(H){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,2|O<1>,4|C<4>}	H(C[6]C[6]2N[6])	107.9150	0.000	2	107.9150	0.000	2	107.4952	0.345	4	107.7247	0.567	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:4:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6]H)(CCCH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6]H)(CCCH)(H){1|H<1>,2|C<4>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.7785	0.156	2	107.7785	0.024	2	107.8197	0.017	3	107.7247	0.567	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:4:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CCCH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CCCH)(H){1|H<1>,2|C<4>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.9020	0.000	1	107.9020	0.000	1	107.8197	0.017	3	107.7247	0.567	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]S[6]H)(CCO)(H)	C[6](C[6]N[6]CH)(C[6]N[6]HH)(CH3)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]S[6]H)(CCO)(H){1|N<3>,2|H<1>,2|O<1>}	C[6](C[6]N[6]CH)(C[6]N[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6]C)	107.7760	0.000	1	107.7760	0.000	1	107.7760	0.000	1	107.7247	0.567	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:4:2:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]O)(COO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCl2H)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CO)(C[6]C[6]O)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCl2H)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|O<1>}	H(C[6]C[6]2C)	108.1220	0.000	1	108.1220	0.000	1	108.1220	0.000	1	108.3180	0.077	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:4:2:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6]CH)2(CCHH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]C[6]O)(COO)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)2(CCHH)(OH){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	108.5140	0.000	1	108.5140	0.000	1	108.5140	0.000	1	108.3180	0.077	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CCO)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CCO)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	105.7200	0.000	2	105.7200	0.000	2	105.7200	0.000	2	107.7010	1.557	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2C)	108.1902	0.284	4	108.1902	0.081	4	107.9659	0.198	7	107.7010	1.557	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]O)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.4430	0.000	1	107.4430	0.000	1	107.9659	0.198	7	107.7010	1.557	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]C)(COO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.2280	0.000	1	108.2280	0.000	1	107.9659	0.198	7	107.7010	1.557	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(CC[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]O)(CC[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	107.3290	0.000	1	107.3290	0.000	1	107.9659	0.198	7	107.7010	1.557	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:4:4:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]C)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CH3)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CC)(N[6]C[6]C)(CNO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.3740	0.000	1	107.3740	0.000	1	108.7550	3.814	2	107.7010	1.557	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	4:4:4:4:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]C)(COO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CH3)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CC)(N[6]C[6]C)(COO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	110.1360	0.000	1	110.1360	0.000	1	108.7550	3.814	2	107.7010	1.557	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	6:4:1:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[5x3,5x5,21x6]-6:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]C)(COO)(H)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]C)(COO)(H){1|C<4>,1|C<6>,4|B<6>}	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,4|H<1>,5|B<6>}	H(C[6]C[6]2C)	105.0755	0.432	2	105.0755	0.187	2	105.0755	0.187	2	105.9480	2.377	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:3:1:	6:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[5x3,5x5,21x6]-6:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6a]C[6a]N[6a])(C[6]C[6]C)(H)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6a]C[6a]N[6a])(C[6]C[6]C)(H){1|C<6>,1|H<1>,3|C<3>,4|B<6>}	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>,5|B<6>}	H(C[6]C[6a]C[6]2)	107.6930	0.000	1	107.6930	0.000	1	107.6930	0.000	1	105.9480	2.377	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	2:4:4:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]O[6]CC)(C[6]C[6]C)(CCHH)(H)	C[6](O[6]Nb[4x6])(C[6]C[6]CH)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]O[6]CC)(C[6]C[6]C)(CCHH)(H){1|Nb<6>,1|C<4>}	C[6](O[6]Nb[4x6])(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,1|O<1>,3|N<3>}	H(C[6]C[6]2C)	105.5970	0.000	1	105.5970	0.000	1	105.5970	0.000	1	105.5970	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:2:4:1:	4:	C[6]-4:C[6]-3:S-4:H-1:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(SC[6a]OO)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(SC[6a]OO)(H){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H){1|Br<1>,1|H<1>,1|O<1>,4|C<3>}	H(C[6]C[6]2S)	106.3890	0.000	1	107.7744	1.146	5	107.8237	0.931	6	108.0089	1.016	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:2:4:1:	4:	C[6]-4:C[6]-3:S-4:H-1:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(SC[6a]OO)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(SC[6a]OO)(H){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	H(C[6]C[6]2S)	108.2890	0.000	1	107.7744	1.146	5	107.8237	0.931	6	108.0089	1.016	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:2:4:1:	4:	C[6]-4:C[6]-3:S-4:H-1:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(SC[6a]OO)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(SC[6a]OO)(H){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(C[6]C[6]2S)	106.8740	0.000	1	107.7744	1.146	5	107.8237	0.931	6	108.0089	1.016	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:2:4:1:	4:	C[6]-4:C[6]-3:S-4:H-1:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(SC[6a]OO)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(SC[6a]OO)(H){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2S)	108.6600	0.144	2	107.7744	1.146	5	107.8237	0.931	6	108.0089	1.016	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:2:4:1:	4:	C[6]-4:C[6]-3:S-4:H-1:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(SC[6a]OO)(H)	C[6](C[6a]C[6a]N[6a])(O[6]C[6,6a])(C[6]C[6]HS)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(SC[6a]OO)(H){1|N<2>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(O[6]C[6,6a])(C[6]C[6]HS)(H){1|H<1>,1|O<1>,4|C<3>}	H(C[6]C[6]2S)	108.0700	0.000	1	108.0700	0.000	1	107.8237	0.931	6	108.0089	1.016	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:2:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a]H)(CH3)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a]H)(CH3)(H){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]CH)(H){3|H<1>,4|C<3>}	H(C[6]C[6]N[6]C)	109.1200	0.000	1	109.1200	0.000	1	109.1200	0.000	1	108.0089	1.016	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:2:4:2:	4:	C[6]-4:C[6]-3:S-4:H-1:	C[6a]-3:O[6]-2:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(SC[6a]OO)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(OH)	H(C[6]C[6]2S)	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(SC[6a]OO)(H){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(OH){1|Br<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2S)	93.6887	0.000	1	93.6887	0.000	1	93.6887	0.000	1	93.6887	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(H){4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	H(C[6]C[6]2C)	106.3160	0.107	2	106.3160	0.012	2	106.3160	0.012	2	107.3706	1.178	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]O)(CCHH)(H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]O)(CCHH)(H){1|S<2>,3|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	105.5900	0.065	2	105.5900	0.004	2	105.5977	0.002	3	107.3706	1.178	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(H){4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	105.6130	0.000	1	105.6130	0.000	1	105.5977	0.002	3	107.3706	1.178	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]O)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]O)(CCHH)(H){4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6]2C)	107.3300	0.000	1	107.3300	0.000	1	107.3300	0.000	1	107.3706	1.178	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(CN[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(CN[5]HH)(H){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[6]C[6]2C)	108.5220	0.000	1	108.5220	0.000	1	107.4892	0.940	4	107.3706	1.178	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CCHH)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2C)	108.1090	0.000	1	107.1450	0.699	3	107.4892	0.940	4	107.3706	1.178	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CCHH)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	H(C[6]C[6]2C)	106.6630	0.064	2	107.1450	0.699	3	107.4892	0.940	4	107.3706	1.178	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(CC[6a]HH)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(CC[6a]HH)(H){1|H<1>,1|S<4>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	106.7520	0.000	1	106.7520	0.000	1	106.7520	0.000	1	107.3706	1.178	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(H)	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(H){1|C<4>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2C)	105.7600	0.000	1	105.7600	0.000	1	105.7600	0.000	1	107.3706	1.178	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]C)(CHHO)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]C)(CHHO)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	108.4200	0.000	1	108.4200	0.000	1	108.4200	0.000	1	107.3706	1.178	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(CH3)(H)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(CH3)(H){5|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|H<1>,5|C<3>}	H(C[6]C[6]2C)	108.4580	0.000	1	108.4580	0.000	1	108.3363	0.076	3	107.3706	1.178	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]N)(CCHH)(H)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]N)(CCHH)(H){1|C<4>,4|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,2|H<1>,4|C<3>}	H(C[6]C[6]2C)	108.5300	0.000	1	108.5300	0.000	1	108.3363	0.076	3	107.3706	1.178	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(CCHH)(H)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(CCHH)(H){5|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2C)	108.0210	0.000	1	108.0210	0.000	1	108.3363	0.076	3	107.3706	1.178	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:P-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(PO3)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HP)(H)	H(C[6]C[6]2P)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(PO3)(H){4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HP)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6]2P)	107.7640	0.000	1	107.7640	0.000	1	107.7640	0.000	1	107.3706	1.178	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:3:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]2)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]2)(CH3)(H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H){2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]N[6]C)	107.3680	0.000	1	107.3680	0.000	1	107.9335	0.241	6	107.3706	1.178	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:3:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CH3)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6]N[6]C)	108.2900	0.034	2	107.9713	0.305	3	107.9335	0.241	6	107.3706	1.178	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:3:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CH3)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H){2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]N[6]C)	107.3340	0.000	1	107.9713	0.305	3	107.9335	0.241	6	107.3706	1.178	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:3:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CHHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CHHO)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6]N[6]C)	108.4480	0.000	1	108.4480	0.000	1	107.9335	0.241	6	107.3706	1.178	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:3:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(N[6]S[6]H)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]C[6a]H)(N[6]S[6]H)(CCHH)(H){2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|S<4>,4|C<3>,4|H<1>}	H(C[6]C[6]N[6]C)	107.8710	0.000	1	107.8710	0.000	1	107.9335	0.241	6	107.3706	1.178	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:3:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(CCHH)(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(CCHH)(H){1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6]C)	108.8770	0.000	1	108.8770	0.000	1	108.8770	0.000	1	107.3706	1.178	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:3:4:2:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]O)(N[6]S[6]C)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(OH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]C[6a]O)(N[6]S[6]C)(CH3)(H){2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(OH){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	H(C[6]C[6]N[6]C)	107.2530	0.000	1	107.2530	0.000	1	107.2530	0.000	1	107.2530	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:3:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(CCHH)(H){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(CH3){1|O<2>,3|H<1>,5|C<3>}	H(C[6]C[6]N[6]C)	108.1380	0.000	1	108.1380	0.000	1	108.1380	0.000	1	108.1380	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6,6a]O)(CH3)(H)	C[6](C[6,6a]B[6,6a,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]C[6,6a]O)(CH3)(H){1|B<3>,2|C<3>}	C[6](C[6,6a]B[6,6a,6a]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]2C)	105.2940	0.000	1	105.2940	0.000	1	106.4414	0.487	5	107.4056	2.354	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCCH)(H){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6]2C)	106.3440	0.000	1	106.3440	0.000	1	106.4414	0.487	5	107.4056	2.354	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCCO)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|O<2>,4|C<3>}	H(C[6]C[6]2C)	106.6060	0.000	1	106.6060	0.000	1	106.4414	0.487	5	107.4056	2.354	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CCHH)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2C)	107.0510	0.000	1	107.0510	0.000	1	106.4414	0.487	5	107.4056	2.354	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CC[5a]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CC[5a]CH)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2C)	106.9120	0.000	1	106.9120	0.000	1	106.4414	0.487	5	107.4056	2.354	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6,6]O)(CCHH)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[6,6]HH)(C[6]N[6,6]O)(CCHH)(H){3|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.2110	0.646	2	107.0157	0.235	4	107.0157	0.235	4	107.4056	2.354	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6,6]O)(CCHH)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[6,6]HH)(C[6]N[6,6]O)(CCHH)(H){3|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.8205	0.366	2	107.0157	0.235	4	107.0157	0.235	4	107.4056	2.354	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:P-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]C)(PC[6a]2O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6,6]HH)(C[6]O[6]C)(PC[6a]2O)(H){2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HP)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2P)	107.7080	0.000	1	107.7080	0.000	1	107.7080	0.000	1	107.4056	2.354	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6a]C[5,6])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[5,6]N[5,6a]C[5,6])(C[6]C[6a]C[6]H)(H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.5310	0.000	1	107.5310	0.000	1	107.4055	0.032	2	107.4056	2.354	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(H)2{2|Se<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.2800	0.000	1	107.2800	0.000	1	107.4055	0.032	2	107.4056	2.354	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.8110	0.000	1	106.8070	2.016	2	107.1880	0.841	5	107.4056	2.354	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)2{1|H<1>,2|C<4>,5|C<3>}	H(C[6]C[6a]C[6]2)	105.8030	0.000	1	106.8070	2.016	2	107.1880	0.841	5	107.4056	2.354	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.3550	0.000	1	107.3550	0.000	1	107.1880	0.841	5	107.4056	2.354	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]C[6]H)(H)2{2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.8330	0.000	1	106.8330	0.000	1	107.1880	0.841	5	107.4056	2.354	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,5|C<3>}	H(C[6]C[6a]C[6]2)	108.1380	0.000	1	108.1380	0.000	1	107.1880	0.841	5	107.4056	2.354	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CC)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2{1|C<2>,1|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.1400	0.000	1	106.5715	0.372	2	106.3442	7.451	10	107.4056	2.354	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CC)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2{1|H<1>,2|C<2>,3|C<3>,3|C<4>}	H(C[6]C[6a]C[6]2)	107.0030	0.000	1	106.5715	0.372	2	106.3442	7.451	10	107.4056	2.354	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6a]C[6]2)	107.8060	0.040	2	107.8060	0.002	2	106.3442	7.451	10	107.4056	2.354	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6a]C[6]2)	107.1755	0.080	2	107.1755	0.006	2	106.3442	7.451	10	107.4056	2.354	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.0130	0.000	1	108.0130	0.000	1	106.3442	7.451	10	107.4056	2.354	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	98.9627	0.000	1	102.1673	20.540	2	106.3442	7.451	10	107.4056	2.354	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	105.3720	0.000	1	102.1673	20.540	2	106.3442	7.451	10	107.4056	2.354	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]O[6]CH)(H){2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.9880	0.000	1	107.9880	0.000	1	106.3442	7.451	10	107.4056	2.354	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]CC)(H){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	105.2730	0.000	1	105.2730	0.000	1	107.2892	1.661	11	107.4056	2.354	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.0620	0.000	1	107.0620	0.000	1	107.2892	1.661	11	107.4056	2.354	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.9080	0.181	2	106.7503	4.037	3	107.2892	1.661	11	107.4056	2.354	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	104.4350	0.000	1	106.7503	4.037	3	107.2892	1.661	11	107.4056	2.354	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.9805	0.117	2	107.9805	0.014	2	107.2892	1.661	11	107.4056	2.354	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.0115	0.995	2	107.9085	0.348	4	107.2892	1.661	11	107.4056	2.354	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.8055	0.107	2	107.9085	0.348	4	107.2892	1.661	11	107.4056	2.354	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(CH3)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(CH3)(H){1|C<4>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>}	H(C[6]C[6]N[6]C)	106.6240	0.000	1	106.6240	0.000	1	106.7867	0.020	3	107.4056	2.354	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(CH3)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(CH3)(H){1|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>}	H(C[6]C[6]N[6]C)	106.8680	0.001	2	106.8680	0.000	2	106.7867	0.020	3	107.4056	2.354	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(CH3)(H)	C[6](C[6,6]C[6,6]N[6])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]N[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	108.3330	0.000	1	108.3330	0.000	1	108.3330	0.000	1	107.4056	2.354	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]FH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(F)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]FH)(N[6]C[6]C)(CCHH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(F)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	107.4570	0.000	1	107.4570	0.000	1	107.4570	0.000	1	107.4056	2.354	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CC[6a]2O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CC[6a]2O)(H){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]C)	106.2510	0.008	2	106.2510	0.000	2	108.1049	1.101	12	107.4056	2.354	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CC[6a]2O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CC[6a]2O)(H){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	107.6850	0.000	1	107.6850	0.000	1	108.1049	1.101	12	107.4056	2.354	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	109.5720	0.000	1	108.6799	0.331	7	108.1049	1.101	12	107.4056	2.354	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	108.4993	0.585	4	108.6799	0.331	7	108.1049	1.101	12	107.4056	2.354	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	108.5950	0.120	2	108.6799	0.331	7	108.1049	1.101	12	107.4056	2.354	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]Pd)(CC[6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6]Pd)(CC[6a]HH)(H){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|Pd<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	107.5390	0.000	1	107.5390	0.000	1	108.1049	1.101	12	107.4056	2.354	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(CBrHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(CBrHH)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6]N[6]C)	108.7740	0.000	1	108.7740	0.000	1	108.1049	1.101	12	107.4056	2.354	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCl3)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCl3)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6]N[6]C)	106.2900	0.000	1	106.2900	0.000	1	106.2900	0.000	1	107.4056	2.354	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(N[6]C[6]S)(CBrHH)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[5a,6]HH)(N[6]C[6]S)(CBrHH)(H){1|O<1>,2|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|S<4>,4|C<3>}	H(C[6]C[6]N[6]C)	108.7890	0.000	1	108.7890	0.000	1	108.7890	0.000	1	107.4056	2.354	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H)	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	108.3456	1.334	12	108.3456	1.779	12	108.3456	1.779	12	107.4056	2.354	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[5a]O[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CH)(O[6]C[6])(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a]O[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CH)(O[6]C[6])(H){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	H(C[6]C[6]2C)	104.0820	0.000	1	104.0820	0.000	1	104.0820	0.000	1	107.2733	4.785	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(CCHS)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(CCHS)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<3>}	H(C[6]C[6]2C)	107.8340	0.000	1	107.8340	0.000	1	104.1784	37.947	3	107.2733	4.785	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(CC[6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(CC[6a]HH)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<3>}	H(C[6]C[6]2C)	97.0663	0.000	1	97.0663	0.000	1	104.1784	37.947	3	107.2733	4.785	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]O[6]O)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HO)(C[6]O[6]O)(CCHH)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OC)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2C)	107.6350	0.000	1	107.6350	0.000	1	104.1784	37.947	3	107.2733	4.785	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]O)(CC[6a]HH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[5,6])(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]O)(CC[6a]HH)(H){4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[5,6])(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	109.6460	0.000	1	109.6460	0.000	1	109.6460	0.000	1	107.2733	4.785	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]C)(CCHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6,6])(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]C)(CCHH)(H){2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6,6])(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.1210	0.000	1	108.1210	0.000	1	107.6850	0.159	7	107.2733	4.785	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.3997	0.250	4	107.6123	0.146	6	107.6850	0.159	7	107.2733	4.785	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	108.0375	0.002	2	107.6123	0.146	6	107.6850	0.159	7	107.2733	4.785	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:2:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]P[5])(C[6]C[6a]C[6]H)(OC)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HO)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|P<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]P[5])(C[6]C[6a]C[6]H)(OC)(H){1|C<4>,1|W<6>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.4360	0.000	1	107.4360	0.000	1	107.4360	0.000	1	107.2733	4.785	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:2:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CN)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|S<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CN)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.5910	0.000	1	106.5910	0.000	1	106.8990	0.190	2	107.2733	4.785	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:2:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CN)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|S<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CN)(H){1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.2070	0.000	1	107.2070	0.000	1	106.8990	0.190	2	107.2733	4.785	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:2:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OC)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]CH)(H){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OC)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.4960	0.000	1	106.4960	0.000	1	106.4977	0.032	3	107.2733	4.785	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:2:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]CH)(H){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.6760	0.000	1	106.6760	0.000	1	106.4977	0.032	3	107.2733	4.785	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:2:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]O[6]FF)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]O[6]FF)(H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.3210	0.000	1	106.3210	0.000	1	106.4977	0.032	3	107.2733	4.785	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:2:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	N[5]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]N[5]O[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](N[5]C[5,5,6]S[5])(C[6]C[6a]C[6]H)(O[6]C[6])(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]N[5]O[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[5]C[5,5,6]S[5])(C[6]C[6a]C[6]H)(O[6]C[6])(H){2|C<3>,2|O<1>,4|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	106.6960	0.000	1	106.6960	0.000	1	106.6960	0.000	1	107.2733	4.785	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]N[6]H)(CF3)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6])(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]N[6]H)(N[6]N[6]H)(CF3)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6])(H){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	107.2960	0.083	2	107.2960	0.007	2	107.2960	0.007	2	107.2733	4.785	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6]C)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[3,6])(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[3,6])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	107.6550	0.000	1	107.6550	0.000	1	108.0174	2.645	14	107.2733	4.785	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6]C)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]C)(CH3)(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	109.5820	0.000	1	108.7465	1.396	2	108.0174	2.645	14	107.2733	4.785	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6]C)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]C)(CH3)(H){1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	107.9110	0.000	1	108.7465	1.396	2	108.0174	2.645	14	107.2733	4.785	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(CCHH)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]N[6])(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(CCHH)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]N[6])(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.1250	0.000	1	107.1250	0.000	1	108.0174	2.645	14	107.2733	4.785	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]N[6,6]C)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6,6])(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]O[6]H)(N[6]N[6,6]C)(CH3)(H){2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	108.0657	3.771	3	108.0657	14.219	3	108.0174	2.645	14	107.2733	4.785	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(CH3)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	107.6740	0.023	2	107.9676	0.422	7	108.0174	2.645	14	107.2733	4.785	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(CH3)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	108.6765	1.003	2	107.9676	0.422	7	108.0174	2.645	14	107.2733	4.785	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(CH3)(H){4|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	107.6907	0.240	3	107.9676	0.422	7	108.0174	2.645	14	107.2733	4.785	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]S[6]H)(N[6]C[6]C)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(S[6]C[6])(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]S[6]H)(N[6]C[6]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(S[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]C)	107.5210	0.000	1	107.5210	0.000	1	107.5210	0.000	1	107.2733	4.785	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:2:2:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-2:C-2:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CN)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CN)2{1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.9905	0.185	2	106.9905	0.034	2	106.9905	0.034	2	107.2005	0.111	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:2:2:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:C-2:C-2:	C[6]-4:	C[6](C[6]N[6,6]CC)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]N[6])(C[6]C[6a]C[6]H)(CN)2	H(C[6]C[6a]C[6]2)	C[6](C[6]N[6,6]CC)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]N[6])(C[6]C[6a]C[6]H)(CN)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.6580	0.000	1	107.6580	0.000	1	107.6580	0.000	1	107.2005	0.111	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:2:2:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:	C[6](C[6]C[6a]O[6]O)(N[6]C[6]C)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(OH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]O[6]O)(N[6]C[6]C)(CH3)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(OH){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	107.1630	0.000	1	107.1630	0.000	1	107.1630	0.000	1	107.2005	0.111	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[5a]C[5a]2)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(NCH)(H)	H(C[6]C[5a]C[6]2)	C[6](C[6]C[6,6a]HN)(C[5a]C[5a]2)(C[6]C[6]HH)(H){1|S<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(NCH)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5a]C[6]2)	108.1130	0.307	2	108.1130	0.094	2	108.1130	0.094	2	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]O[6]O)(CCHH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]CH)(C[6]O[6]O)(CCHH)(H){2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(COO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2C)	105.7120	0.000	1	105.7120	0.000	1	105.7120	0.000	1	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	107.9240	0.000	1	107.9240	0.000	1	107.6535	0.171	6	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CCHH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	107.5440	0.000	1	107.5440	0.000	1	107.6535	0.171	6	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	108.3040	0.000	1	107.7783	0.218	3	107.6535	0.171	6	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	107.5155	0.144	2	107.7783	0.218	3	107.6535	0.171	6	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CH)(N[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CH)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2C)	107.1180	0.000	1	107.1180	0.000	1	107.6535	0.171	6	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(CC[6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(CC[6a]HH)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H){2|H<1>,3|C<3>}	H(C[6]C[6]2C)	106.9900	0.000	1	106.9900	0.000	1	107.7535	1.166	2	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]O[6]O)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHN)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HN)(C[6]O[6]O)(CCHH)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHN)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2C)	108.5170	0.000	1	108.5170	0.000	1	107.7535	1.166	2	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]Si)(CSiHH)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]Si)(CSiHH)(H){3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]C)(H){1|Si<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2C)	108.2610	0.000	1	108.2610	0.000	1	108.2610	0.000	1	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H){1|H<1>,1|S<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	106.8900	0.000	1	107.1560	0.142	2	106.5980	0.295	9	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.4220	0.000	1	107.1560	0.142	2	106.5980	0.295	9	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CCHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CCHH)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	106.6860	0.257	2	106.6860	0.066	2	106.5980	0.295	9	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CC[6a]HH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CC[6a]HH)(H){4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	105.8360	0.000	1	105.8360	0.000	1	106.5980	0.295	9	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CC[6a]HH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CC[6a]HH)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	106.3535	0.605	2	106.3535	0.366	2	106.5980	0.295	9	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CH3)(H){1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.0510	0.000	1	107.0510	0.000	1	106.5980	0.295	9	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CH3)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	106.1040	0.000	1	106.1040	0.000	1	106.5980	0.295	9	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(CCHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2C)	107.2660	0.000	1	107.2660	0.000	1	107.4453	0.623	90	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CCCH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CCCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	106.6670	0.000	1	105.8953	0.288	4	107.4453	0.623	90	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CCCH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CCCH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	105.6380	0.189	3	105.8953	0.288	4	107.4453	0.623	90	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CCHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.0775	0.110	2	107.0775	0.012	2	107.4453	0.623	90	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CC[6a]HH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.7335	0.473	2	107.7335	0.224	2	107.4453	0.623	90	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.6565	0.339	2	107.4305	0.198	10	107.4453	0.623	90	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	107.4915	0.889	2	107.4305	0.198	10	107.4453	0.623	90	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.3348	0.376	6	107.4305	0.198	10	107.4453	0.623	90	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	106.6660	0.000	1	106.6660	0.000	1	107.4453	0.623	90	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.1250	0.000	1	107.7660	0.795	5	107.4453	0.623	90	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.8085	1.240	2	107.7660	0.795	5	107.4453	0.623	90	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	107.5440	1.188	2	107.7660	0.795	5	107.4453	0.623	90	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCCH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.9280	0.023	2	107.9280	0.001	2	107.4453	0.623	90	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCCH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	106.1432	0.092	4	106.1432	0.008	4	107.4453	0.623	90	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.3323	0.101	3	108.3323	0.010	3	107.4453	0.623	90	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.4552	0.466	5	107.4552	0.217	5	107.4453	0.623	90	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.8220	0.000	1	108.8220	0.000	1	107.4453	0.623	90	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CC[6a]HH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CC[6a]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.2110	0.000	1	108.2110	0.000	1	107.4453	0.623	90	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CC[6a]HH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.5210	0.000	1	107.5210	0.000	1	107.4453	0.623	90	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.0381	0.294	15	107.5407	0.616	39	107.4453	0.623	90	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	108.3270	0.000	1	107.5407	0.616	39	107.4453	0.623	90	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	108.1365	0.729	4	107.5407	0.616	39	107.4453	0.623	90	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.7550	0.847	16	107.5407	0.616	39	107.4453	0.623	90	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	107.9835	1.706	2	107.5407	0.616	39	107.4453	0.623	90	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.5960	0.000	1	107.5407	0.616	39	107.4453	0.623	90	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.0920	0.000	1	107.6074	0.149	9	107.4453	0.623	90	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	107.9303	0.232	4	107.6074	0.149	9	107.4453	0.623	90	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.4135	0.256	4	107.6074	0.149	9	107.4453	0.623	90	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]H)(COO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]H)(COO)(H){2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	108.1125	0.196	2	108.1125	0.038	2	106.9185	1.973	4	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(COO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(COO)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	105.4270	0.000	1	105.7245	0.177	2	106.9185	1.973	4	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(COO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(COO)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.0220	0.000	1	105.7245	0.177	2	106.9185	1.973	4	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H){2|O<2>,3|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<2>,1|C<4>,2|H<1>,7|C<3>}	H(C[6]C[6a]C[6]2)	106.1640	0.000	1	106.1640	0.000	1	107.3320	0.957	4	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,2|C<2>,2|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,7|C<3>}	H(C[6]C[6a]C[6]2)	106.9070	0.000	1	106.9070	0.000	1	107.3320	0.957	4	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){4|H<1>,7|C<3>}	H(C[6]C[6a]C[6]2)	108.1285	0.240	2	108.1285	0.057	2	107.3320	0.957	4	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.6500	0.682	2	106.6500	0.465	2	107.0604	0.457	5	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H){3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.6460	0.000	1	107.3340	0.401	3	107.0604	0.457	5	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.8930	0.000	1	107.3340	0.401	3	107.0604	0.457	5	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.4630	0.000	1	107.3340	0.401	3	107.0604	0.457	5	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	107.4187	0.171	3	107.4187	0.029	3	107.1300	0.353	4	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,1|N<3>,3|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	106.2640	0.000	1	106.2640	0.000	1	107.1300	0.353	4	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NN[5a]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NN[5a]H)(H){3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.6210	0.000	1	107.6210	0.000	1	107.6210	0.000	1	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(N[5]C[5]2)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]N[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	108.3230	0.000	1	108.3230	0.000	1	108.3230	0.000	1	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]N[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](N[5,6]N[5,6]C[5])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,7|C<3>}	H(C[6]C[6a]C[6]2)	105.4670	0.000	1	105.4670	0.000	1	105.4670	0.000	1	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	N[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(COO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(COO)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.2280	0.000	1	107.2280	0.000	1	107.2280	0.000	1	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	N[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]N[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.0440	0.000	1	107.0440	0.000	1	107.0440	0.000	1	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:C[6a]-3:S[6]-4:H-1:	C[6,6]-3:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]N[5]H)(C[6a]C[6a]2)(S[6]O[6]OO)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]S[6]H)(N[5]C[5]2)(H)	H(C[6]C[6a]C[6]S[6])	C[6](C[6]C[6,6]N[5]H)(C[6a]C[6a]2)(S[6]O[6]OO)(H){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]S[6]H)(N[5]C[5]2)(H){2|O<1>,2|O<2>,3|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6a]C[6]S[6])	106.8800	0.000	1	106.8800	0.000	1	106.8800	0.000	1	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:N[3,6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(N[3,6]C[3,6]O[3])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[3,6]CH)(C[6a]C[6a]2)(H)	H(C[6]N[3,6]C[6]C)	C[6](C[6]C[6,6a]C[6a]H)(N[3,6]C[3,6]O[3])(CH3)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[3,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]N[3,6]C[6]C)	102.5130	0.106	2	102.5130	0.011	2	102.5130	0.011	2	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(CCHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(COO)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(CCHO)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(COO)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	107.6010	0.529	2	107.6010	0.280	2	107.3777	0.290	3	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(CF3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(COO)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(CF3)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(COO)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	106.9310	0.000	1	106.9310	0.000	1	107.3777	0.290	3	107.2779	0.986	139	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:3:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6,6a]CC)(N[6]C[6]S)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(COO)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]CC)(N[6]C[6]S)(CCHH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(COO)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6]C[6]N[6]C)	108.1450	0.000	1	108.1450	0.000	1	108.1450	0.000	1	108.1450	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.7100	0.000	1	106.7100	0.000	1	106.7100	0.000	1	107.1641	1.309	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]N[6]O)(CH3)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]N[6]O)(CH3)(H){1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)(H){1|N<3>,2|C<3>,2|O<1>}	H(C[6]C[6]2C)	106.2700	0.000	1	106.2700	0.000	1	106.2700	0.000	1	107.1641	1.309	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]H)(CC3)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]CH)(CC3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]H)(CC3)(H){3|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]CH)(CC3)(H){2|H<1>,3|C<3>}	H(C[6]C[6]2C)	107.4620	1.596	3	107.4620	2.546	3	106.8939	2.402	14	107.1641	1.309	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[5a,6]H)(CC3)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CH)(CC3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]CH)(C[6]C[5a,6]H)(CC3)(H){3|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CH)(CC3)(H){2|H<1>,3|C<3>}	H(C[6]C[6]2C)	107.9920	0.000	1	107.9920	0.000	1	106.8939	2.402	14	107.1641	1.309	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(CCHH)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]2C)	106.5880	0.000	1	106.5880	0.000	1	106.8939	2.402	14	107.1641	1.309	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHN)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(CCHH)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHN)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	H(C[6]C[6]2C)	108.5990	0.117	2	108.5990	0.014	2	106.8939	2.402	14	107.1641	1.309	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CCCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CCCH)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2C)	108.1190	0.544	2	108.1190	0.296	2	106.8939	2.402	14	107.1641	1.309	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHN)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CCHH)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHN)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2C)	105.3063	0.144	3	105.3063	0.021	3	106.8939	2.402	14	107.1641	1.309	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CH3)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2C)	105.6800	0.000	1	105.6800	0.000	1	106.8939	2.402	14	107.1641	1.309	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2O)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CH3)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2C)	104.5130	0.000	1	104.5130	0.000	1	106.8939	2.402	14	107.1641	1.309	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(CC[6a]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O[6]H)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(CC[6a]CH)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O[6]H)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,2|C<3>,2|O<1>,2|O<2>}	H(C[6]C[6]2C)	108.3890	0.000	1	108.3890	0.000	1	108.3890	0.000	1	107.1641	1.309	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HS)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH)(H){1|S<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HS)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	106.8310	0.000	1	106.8310	0.000	1	107.5750	0.383	7	107.1641	1.309	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6]2C)	107.0440	0.000	1	107.3963	0.169	3	107.5750	0.383	7	107.1641	1.309	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6]2C)	107.5725	0.390	2	107.3963	0.169	3	107.5750	0.383	7	107.1641	1.309	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2C)	107.2990	0.000	1	107.2990	0.000	1	107.5750	0.383	7	107.1641	1.309	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	108.3530	0.154	2	108.3530	0.024	2	107.5750	0.383	7	107.1641	1.309	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	106.7780	0.000	1	107.3580	0.673	2	107.6290	0.557	3	107.1641	1.309	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.9380	0.000	1	107.3580	0.673	2	107.6290	0.557	3	107.1641	1.309	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.1710	0.000	1	108.1710	0.000	1	107.6290	0.557	3	107.1641	1.309	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(CC3)(H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(CC3)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	H(C[6]C[6]2C)	104.6220	0.000	1	104.6220	0.000	1	104.6220	0.000	1	107.1641	1.309	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]O)(CHHS)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(CC[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]N[6]CH)(C[6]N[6]O)(CHHS)(H){3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(CC[6]HH)(H){1|N<3>,2|C<3>,2|O<1>}	H(C[6]C[6]2C)	106.9855	0.486	2	106.9855	0.236	2	106.9855	0.236	2	107.1641	1.309	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]H)(C[6]C[6]2H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]2H)(CSi2H)(H)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]H)(C[6]C[6]2H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]2H)(CSi2H)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]3)	105.8050	0.000	1	105.8050	0.000	1	105.8050	0.000	1	107.1641	1.309	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]2)(C[6]C[6]CH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6]3)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]2)(C[6]C[6]CH)(H){1|C<4>,2|N<3>,4|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]2H)(C[6]C[6]HH)(H){1|Br<1>,3|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]3)	105.8930	0.000	1	105.8930	0.000	1	105.8930	0.000	1	107.1641	1.309	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:S-4:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(SCOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(CCHH)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(SCOO)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]2S)	107.4505	0.059	2	107.4505	0.003	2	107.4505	0.003	2	107.1641	1.309	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:S-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(SC[6a]OO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HS)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(SC[6a]OO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HS)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2S)	106.7250	0.000	1	106.7250	0.000	1	107.6020	0.579	3	107.1641	1.309	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:S-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(SC[6a]OO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HS)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(SC[6a]OO)(H){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HS)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2S)	108.0405	0.060	2	108.0405	0.004	2	107.6020	0.579	3	107.1641	1.309	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:4:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[5]C[5,6a]N[5])(C[6]C[6a]C[6]H)(C[6]C[6]CO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[5]C[5,6a]N[5])(C[6]C[6a]C[6]H)(C[6]C[6]CO)(H){1|C<4>,1|N<3>,1|S<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.7350	0.000	1	106.7350	0.000	1	106.7350	0.000	1	107.1641	1.309	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:4:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6a]C[6]H)(C[6]C[6]CO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){2|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6a]C[6]H)(C[6]C[6]CO)(H){1|C<4>,1|N<2>,2|H<1>,2|N<3>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.9970	0.000	1	107.9970	0.000	1	107.9970	0.000	1	107.1641	1.309	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:4:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]HO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCHH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]HO)(H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCHH)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	105.1930	0.000	1	105.1930	0.000	1	106.4245	3.033	2	107.1641	1.309	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:4:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]HO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CHHN)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]HO)(H){1|Cl<1>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CHHN)(H){2|H<1>,2|O<2>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.6560	0.000	1	107.6560	0.000	1	106.4245	3.033	2	107.1641	1.309	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(CHHO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(CCCH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(CHHO)(H){1|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(CCCH)(H){1|C<4>,1|N<3>,3|C<3>}	H(C[6]C[6]N[6]C)	107.5370	0.000	1	107.5370	0.000	1	107.5370	0.000	1	107.1641	1.309	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(N[6]C[6]H)(CC[5a]HH)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(C[6]N[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]H)(CC[5a]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(C[6]N[6]CH)(H){1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6]N[6]C)	108.7530	0.000	1	108.7530	0.000	1	108.7530	0.000	1	107.1641	1.309	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(N[6]C[6]H)(CH3)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]CH)(CH3)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6]CH)(N[6]C[6]H)(CH3)(H){1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]CH)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	107.4630	0.000	1	107.4630	0.000	1	107.4630	0.000	1	107.1641	1.309	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(N[6]C[6]H)(CHHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CCHO)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]CH)(N[6]C[6]H)(CHHO)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CCHO)(H){2|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	108.2540	0.000	1	108.2540	0.000	1	108.2540	0.000	1	107.1641	1.309	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[5a,6]CH)(N[6]C[6]S)(CCHH)(H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]CH)(CCHH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[5a,6]CH)(N[6]C[6]S)(CCHH)(H){1|C<3>,1|N<2>,2|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]CH)(CCHH)(H){1|C<3>,1|C<4>,1|N<2>,1|S<4>}	H(C[6]C[6]N[6]C)	107.5660	0.000	1	107.5660	0.000	1	107.6230	0.006	2	107.1641	1.309	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[5a,6]CH)(N[6]C[6]S)(CCHH)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(CCHH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[5a,6]CH)(N[6]C[6]S)(CCHH)(H){1|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(CCHH)(H){1|C<4>,1|S<4>,3|C<3>}	H(C[6]C[6]N[6]C)	107.6800	0.000	1	107.6800	0.000	1	107.6230	0.006	2	107.1641	1.309	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:4:1:	4:	C[6]-4:S[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(S[6]N[6]O)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]CH)(CCCH)(H)	H(C[6]C[6]S[6]C)	C[6](C[6]C[6,6a]CH)(S[6]N[6]O)(CCHH)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]CH)(CCCH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]S[6]C)	107.2510	0.000	1	107.2510	0.000	1	107.2510	0.000	1	107.1641	1.309	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:4:2:	4:	C[6]-4:C[5]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]CO)(C[5]C[5]O[5])(C[6]C[6]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CH3)(OH)	H(C[6]C[5]C[6]2)	C[6](C[6]C[6,6a]CO)(C[5]C[5]O[5])(C[6]C[6]CH)(H){1|C<4>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CH3)(OH){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	H(C[6]C[5]C[6]2)	107.4120	0.000	1	107.4120	0.000	1	107.4120	0.000	1	107.1856	0.875	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:4:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(CC[6a]HO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(CC[6a]HO)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2C)	108.2860	0.000	1	108.2860	0.000	1	106.9928	1.631	4	107.1856	0.875	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:4:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(CH3)(H){3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	H(C[6]C[6]2C)	107.5850	0.000	1	107.5850	0.000	1	106.9928	1.631	4	107.1856	0.875	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:4:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]N[6]O)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]O)(C[6]N[6]O)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2C)	106.7890	0.000	1	106.7890	0.000	1	106.9928	1.631	4	107.1856	0.875	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:4:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]N[6]O)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]O)(C[6]N[6]O)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(OH){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2C)	105.3110	0.000	1	105.3110	0.000	1	106.9928	1.631	4	107.1856	0.875	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:4:2:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(N[6]C[6]S)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]CH)(OH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]C[6]O)(N[6]C[6]S)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]CH)(OH){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]C)	107.4580	0.093	2	107.4580	0.009	2	107.4580	0.009	2	107.1856	0.875	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:4:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CHHO)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CHHO)(CH3){1|H<1>,1|O<1>,4|C<4>}	H(C[6]C[6]2C)	106.6200	0.000	1	106.6200	0.000	1	106.6200	0.000	1	106.3030	0.201	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	3:4:4:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	N[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]N[5,6]CC)(C[6]N[5,6]C)(CCHH)(H)	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]CH)(CCHH)2	H(C[6]C[6]2C)	C[6](C[6]N[5,6]CC)(C[6]N[5,6]C)(CCHH)(H){1|Si<5>,2|N<2>}	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]CH)(CCHH)2{1|C<3>,1|N<3>,2|C<4>,2|O<2>}	H(C[6]C[6]2C)	105.9860	0.000	1	105.9860	0.000	1	105.9860	0.000	1	106.3030	0.201	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5]C[5,6a]C[5]C)(C[6]C[6,6a]C)(C[6]S[6]HH)(H)	C[6](C[6]C[5]C[6]H)(S[6]C[6,6a])(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]C[5]C)(C[6]C[6,6a]C)(C[6]S[6]HH)(H){1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[5]C[6]H)(S[6]C[6,6a])(H)2{6|C<3>}	H(C[6]C[5]C[6]2)	107.8470	0.000	1	107.8470	0.000	1	107.8470	0.000	1	107.1509	8.088	31	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(C[6]C[6]O)(CCCH)(H)	C[6](C[6]C[6]CH)(S[6]C[6])(H)2	H(C[6]C[6]2C)	C[6](C[6]S[6]HH)(C[6]C[6]O)(CCCH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(S[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	108.3650	0.000	1	108.3650	0.000	1	104.7962	48.295	5	107.1509	8.088	31	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(C[6]C[6]O)(CC[6a]HN)(H)	C[6](C[6]C[6]CH)(S[6]C[6])(H)2	H(C[6]C[6]2C)	C[6](C[6]S[6]HH)(C[6]C[6]O)(CC[6a]HN)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(S[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	107.7473	0.069	3	107.7473	0.005	3	104.7962	48.295	5	107.1509	8.088	31	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(S[6]C[6])(H)2	H(C[6]C[6]2C)	C[6](C[6]S[6]HH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]CH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2C)	92.3742	0.000	1	92.3742	0.000	1	104.7962	48.295	5	107.1509	8.088	31	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(C[6]C[6]C)(SC[6a]OO)(H)	C[6](C[6]C[6]HS)(O[6]C[6])(H)2	H(C[6]C[6]2S)	C[6](C[6]O[6]HH)(C[6]C[6]C)(SC[6a]OO)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HS)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2S)	106.9580	0.000	1	106.9580	0.000	1	106.9580	0.000	1	107.1509	8.088	31	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O[6]-2:F-1:F-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]O[6]FF)(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(F)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]O[6]FF)(H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(F)2{1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.3210	0.000	1	106.3210	0.000	1	106.3210	0.000	1	107.1509	8.088	31	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6])(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6])(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.7850	0.000	1	107.7850	0.000	1	107.3568	0.373	9	107.1509	8.088	31	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(H)2{2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.9990	0.445	2	107.4032	0.289	4	107.3568	0.373	9	107.1509	8.088	31	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(H)2{2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.8075	0.120	2	107.4032	0.289	4	107.3568	0.373	9	107.1509	8.088	31	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.1893	0.955	3	107.1893	0.913	3	107.3568	0.373	9	107.1509	8.088	31	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.2450	0.000	1	107.2450	0.000	1	107.3568	0.373	9	107.1509	8.088	31	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(CBrHH)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]HH)(N[6]C[6]C)(CBrHH)(H){1|H<1>,2|C<4>}	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.8750	0.184	4	107.8750	0.034	4	107.8280	0.689	11	107.1509	8.088	31	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|H<1>,2|C<3>}	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|O<1>,2|C<4>}	H(C[6]C[6]N[6]C)	108.2710	0.000	1	108.2710	0.000	1	107.8280	0.689	11	107.1509	8.088	31	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(CC[6a]HN)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]HH)(N[6]C[6]C)(CC[6a]HN)(H){1|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	108.4930	0.000	1	108.4930	0.000	1	107.8280	0.689	11	107.1509	8.088	31	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]S)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]HH)(N[6]C[6]S)(CC[6a]HH)(H){1|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|C<3>,1|S<4>,2|C<4>}	H(C[6]C[6]N[6]C)	108.7020	0.000	1	107.1270	4.961	2	107.8280	0.689	11	107.1509	8.088	31	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]S)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]HH)(N[6]C[6]S)(CC[6a]HH)(H){1|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]N[6]C)	105.5520	0.000	1	107.1270	4.961	2	107.8280	0.689	11	107.1509	8.088	31	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]S)(CH3)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]HH)(N[6]C[6]S)(CH3)(H){1|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6]C)	108.0850	0.000	1	108.0850	0.000	1	107.8280	0.689	11	107.1509	8.088	31	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]N[6]C)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]HH)(N[6]N[6]C)(CC[6a]HH)(H){1|C<3>,1|H<1>}	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	107.7525	0.346	2	107.7525	0.120	2	107.8280	0.689	11	107.1509	8.088	31	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:S[6]-3:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(S[6]C[6]Cu)(CHHS)(H)	C[6](C[6]S[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]S[6]C)	C[6](C[6]O[6]HH)(S[6]C[6]Cu)(CHHS)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]S[6]CH)(O[6]C[6])(H)2{1|Cu<5>,1|C<4>,1|H<1>}	H(C[6]C[6]S[6]C)	108.9060	0.000	1	108.9060	0.000	1	108.0843	1.315	3	107.1509	8.088	31	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:2:1:1:	4:	C[6]-4:S[6]-3:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(S[6]C[6]O)(CH3)(H)	C[6](C[6]S[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]S[6]C)	C[6](C[6]O[6]HH)(S[6]C[6]O)(CH3)(H){1|C<4>,2|H<1>}	C[6](C[6]S[6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]S[6]C)	107.6735	1.272	2	107.6735	1.618	2	108.0843	1.315	3	107.1509	8.088	31	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:2:2:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]HO)(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(OH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]HO)(H){1|Cl<1>,1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(OH)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.7370	0.000	1	107.7370	0.000	1	107.7370	0.000	1	107.7370	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:2:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CC[6a]O)(H)	H(C[6]C[6]2C)	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CC[6a]O)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	109.0850	0.000	1	109.0850	0.000	1	109.0850	0.000	1	108.2937	0.477	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:2:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6])(COO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]O[6]CH)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6])(COO)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.9850	0.000	1	107.9850	0.000	1	107.8980	0.015	2	108.2937	0.477	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:2:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCC)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H){3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCC)(H){1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.8110	0.000	1	107.8110	0.000	1	107.8980	0.015	2	108.2937	0.477	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:2:3:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:S[6]-2:C-3:S-2:	C[6]-4:	C[6](C[6]S[6]CS)(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6]CH)(S[6]C[6])(COO)(SC)	H(C[6]C[6]2C)	C[6](C[6]S[6]CS)(C[6]C[6]H)(CCHH)(H){2|C<4>}	C[6](C[6]C[6]CH)(S[6]C[6])(COO)(SC){1|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.5600	0.000	1	107.5600	0.000	1	107.5600	0.000	1	107.5600	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:2:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[3x6])(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)(H){2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[3x6])(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	108.5440	0.000	1	108.5440	0.000	1	107.7198	1.100	16	107.7605	0.929	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:2:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2C)	108.6340	0.178	3	108.6340	0.032	3	107.7198	1.100	16	107.7605	0.929	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:2:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CCHH)(H){1|Cl<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<4>,2|O<1>}	H(C[6]C[6]2C)	107.3710	0.000	1	107.3710	0.000	1	107.7198	1.100	16	107.7605	0.929	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:2:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	H(C[6]C[6]2C)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2C)	108.1800	0.000	1	108.1800	0.000	1	107.7198	1.100	16	107.7605	0.929	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:2:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<4>,2|O<1>}	H(C[6]C[6]2C)	106.7437	0.928	3	107.3724	0.724	8	107.7198	1.100	16	107.7605	0.929	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:2:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<4>,2|O<1>}	H(C[6]C[6]2C)	107.7818	0.690	4	107.3724	0.724	8	107.7198	1.100	16	107.7605	0.929	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:2:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){2|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<3>,2|O<1>}	H(C[6]C[6]2C)	107.6210	0.000	1	107.3724	0.724	8	107.7198	1.100	16	107.7605	0.929	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:2:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CC[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(CC[6]CH)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2C)	107.2700	2.546	2	107.2700	6.480	2	107.7198	1.100	16	107.7605	0.929	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:2:4:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCHH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.1050	0.000	1	107.9465	0.050	2	107.9780	0.028	3	107.7605	0.929	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:2:4:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCHH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H){3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCHH)(H){1|H<1>,1|P<4>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.7880	0.000	1	107.9465	0.050	2	107.9780	0.028	3	107.7605	0.929	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:2:4:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CH3)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.0410	0.000	1	108.0410	0.000	1	107.9780	0.028	3	107.7605	0.929	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:2:4:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]O[6]CC)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]O[6]CC)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(CH3){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2C)	107.0110	0.000	1	107.0110	0.000	1	107.0110	0.000	1	106.2903	0.390	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:2:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]O[6]CC)(N[6]C[6]S)(CHHO)(H)	C[6](C[6]N[6]CH)(O[6]N[6])(CCHH)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]CC)(N[6]C[6]S)(CHHO)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]CH)(O[6]N[6])(CCHH)(CH3){1|C<3>,1|C<4>,1|S<4>}	H(C[6]C[6]N[6]C)	105.9300	0.000	2	105.9300	0.000	2	105.9300	0.000	2	106.2903	0.390	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[4,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[4,6]C[6a]H)(C[6]N[5,6]C)(H)2	H(C[6]C[4,6]C[6a]C[6])	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,6|C<3>}	C[6](C[6]C[4,6]C[6a]H)(C[6]N[5,6]C)(H)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[4,6]C[6a]C[6])	107.0210	0.000	1	107.0210	0.000	1	107.0210	0.000	1	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[5a]C[5a]2)(C[6]N[6]HH)(H)	C[6](C[6]C[5,5,6]C[5a]H)(N[6]C[6]S)(H)2	H(C[6]C[5,5,6]C[5a]C[6])	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[5a]C[5a]2)(C[6]N[6]HH)(H){1|C<4>,1|N<3>,1|S<2>,1|S<4>,4|H<1>,5|C<3>}	C[6](C[6]C[5,5,6]C[5a]H)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,5,6]C[5a]C[6])	105.1760	0.000	1	105.1760	0.000	1	105.1760	0.000	1	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6](C[6]C[5,5,6]C[6a]H)(N[6]C[6]S)(H)2	H(C[6]C[5,5,6]C[6a]C[6])	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|N<3>,1|S<4>,4|H<1>,6|C<3>}	C[6](C[6]C[5,5,6]C[6a]H)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,5,6]C[6a]C[6])	106.7090	0.716	2	106.7090	0.512	2	106.7090	0.512	2	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[5a]C[6])	C[6](C[5,6]C[5]C[6]N[5])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(C[6]C[5,6]C[5a]C[6])	106.5410	0.000	1	106.5410	0.000	1	106.4925	0.005	2	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[5a]C[6])	C[6](C[5,6]C[5]C[6]O[5])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[5,6]C[5a]C[6])	106.4440	0.000	1	106.4440	0.000	1	106.4925	0.005	2	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]C[6])(C[6]C[5a,6]H)(C[6]N[6]HH)(H)	C[6](C[6]C[5,6]C[6]H)(N[6]N[5a,6]C)(H)2	H(C[6]C[5,6]C[6]2)	C[6](C[5,6]N[5,6]C[5]C[6])(C[6]C[5a,6]H)(C[6]N[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>,3|N<3>}	C[6](C[6]C[5,6]C[6]H)(N[6]N[5a,6]C)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[5,6]C[6]2)	108.4560	0.000	1	108.4560	0.000	1	108.4560	0.000	1	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	107.9790	0.000	1	107.9790	0.000	1	106.7305	1.080	44	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2{1|C<2>,1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6a]C[6])	106.5050	0.000	1	106.5050	0.000	1	106.7305	1.080	44	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6a]C[6])	105.5920	0.000	1	106.1720	0.673	2	106.7305	1.080	44	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.7520	0.000	1	106.1720	0.673	2	106.7305	1.080	44	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]N[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<2>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	107.1040	0.000	1	107.1040	0.000	1	106.7305	1.080	44	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]N[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6a]C[6])	107.8730	0.000	1	107.8730	0.000	1	106.7305	1.080	44	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]S[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]S[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|S<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.5890	0.000	1	106.5890	0.000	1	106.7305	1.080	44	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.4745	0.296	2	106.4745	0.088	2	106.7305	1.080	44	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|H<1>,6|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2{1|C<4>,5|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.5015	0.284	4	106.5015	0.081	4	106.7305	1.080	44	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|H<1>,5|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.2180	0.000	1	106.4613	0.258	6	106.7305	1.080	44	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|O<1>,3|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.6890	0.986	2	106.4613	0.258	6	106.7305	1.080	44	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.3675	0.373	2	106.4613	0.258	6	106.7305	1.080	44	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,5|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.4370	0.000	1	106.4613	0.258	6	106.7305	1.080	44	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<2>,1|N<3>,1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(H)2{1|C<4>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.9320	0.000	1	106.9320	0.000	1	106.7305	1.080	44	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6,6a]O)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,2|O<1>,6|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6,6a]O)(H)2{6|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.4627	0.251	4	106.3966	0.069	5	106.7305	1.080	44	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6,6a]O)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,2|O<1>,7|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6,6a]O)(H)2{6|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.1320	0.000	1	106.3966	0.069	5	106.7305	1.080	44	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2{1|C<4>,5|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.8514	0.278	7	106.8514	0.077	7	106.7305	1.080	44	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,3|O<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.5150	0.000	1	107.7592	6.821	5	106.7305	1.080	44	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|N<2>,1|N<3>,2|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.5230	0.000	1	107.7592	6.821	5	106.7305	1.080	44	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.8430	0.000	1	107.7592	6.821	5	106.7305	1.080	44	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|O<1>,3|H<1>,6|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,5|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.4910	0.000	1	107.7592	6.821	5	106.7305	1.080	44	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,3|O<1>,6|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|H<1>,5|C<3>}	H(C[6]C[5,6]C[6a]C[6])	112.4240	0.000	1	107.7592	6.821	5	106.7305	1.080	44	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|O<1>,4|H<1>,6|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])(H)2{1|C<4>,7|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.5060	0.000	1	106.5060	0.000	1	106.7305	1.080	44	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]O)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,2|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]O)(H)2{1|C<4>,5|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.7460	0.000	1	106.7460	0.000	1	106.7305	1.080	44	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|S<2>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.7660	0.000	1	106.7660	0.000	1	106.7305	1.080	44	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<2>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.4570	0.000	1	106.0840	1.314	4	106.7305	1.080	44	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<2>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.5350	0.000	1	106.0840	1.314	4	106.7305	1.080	44	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,3|O<1>,4|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	105.6720	1.806	2	106.0840	1.314	4	106.7305	1.080	44	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[5,6]-4:N[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]N[5a]H)(C[6]C[5,6]O)(H)2	H(C[6]C[5,6]N[5a]C[6])	C[6](C[5,6]O[5,6]C[5]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]N[5a]H)(C[6]C[5,6]O)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<2>}	H(C[6]C[5,6]N[5a]C[6])	109.3550	0.000	1	109.3550	0.000	1	109.3550	0.000	1	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]C)(H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<2>,5|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.5940	0.000	1	107.6225	2.116	2	106.4571	0.867	17	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]C)(H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.6510	0.000	1	107.6225	2.116	2	106.4571	0.867	17	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]2)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[5,6]C)(H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[5,6]C[6]2)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,2|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[5,6]C)(H)2{1|C<4>,1|O<2>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	105.9520	0.000	1	105.9520	0.000	1	106.4571	0.867	17	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.3990	0.000	1	107.3990	0.000	1	106.4571	0.867	17	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<4>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6a]C[6])	107.4920	0.000	1	107.4920	0.000	1	106.4571	0.867	17	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.1730	0.044	2	107.1730	0.002	2	106.4571	0.867	17	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]N)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6a]C[6])	105.5590	0.000	1	105.3060	0.128	2	106.4571	0.867	17	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]N)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6a]C[6])	105.0530	0.000	1	105.3060	0.128	2	106.4571	0.867	17	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|O<1>,2|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.2020	0.000	1	106.2020	0.000	1	106.4571	0.867	17	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>,3|O<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.1530	0.098	2	105.8890	0.098	6	106.4571	0.867	17	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|N<3>,3|C<3>,3|H<1>,3|O<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	105.7570	0.300	4	105.8890	0.098	6	106.4571	0.867	17	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|S<1>,2|O<1>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(H)2{1|C<4>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.1890	0.000	1	107.1890	0.000	1	106.4571	0.867	17	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6]S)(H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|S<4>,5|C<3>,5|H<1>}	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.7035	0.497	2	106.7035	0.247	2	106.7035	0.247	2	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6,6]-4:N[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]N[5a]H)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]N[5a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H){1|O<1>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]N[5a]H)(C[6]C[6,6]O)(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]N[5a]C[6])	106.1870	0.000	1	106.1870	0.000	1	106.1870	0.000	1	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HN)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2C)	106.8360	0.413	2	106.8360	0.171	2	107.4517	2.986	11	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.8750	0.000	1	107.8750	0.000	1	107.4517	2.986	11	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	111.9290	0.000	1	111.9290	0.000	1	107.4517	2.986	11	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]O[6]C)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|O<2>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]O[6]C)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]2C)	108.6180	0.000	1	108.6180	0.000	1	107.4517	2.986	11	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHP)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHP)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.4460	0.000	1	107.4460	0.000	1	107.4517	2.986	11	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H){4|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|O<1>,2|C<4>}	H(C[6]C[6]2C)	107.0030	0.076	2	107.0030	0.006	2	107.4517	2.986	11	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2C)	106.5940	0.000	1	106.5940	0.000	1	107.4517	2.986	11	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|I<1>,1|O<1>}	H(C[6]C[6]2C)	106.7740	0.000	1	106.7740	0.000	1	107.4517	2.986	11	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]CH)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	105.0550	0.000	1	105.0550	0.000	1	107.4517	2.986	11	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	107.9608	0.227	4	107.9608	0.051	4	107.8723	0.073	9	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	107.8360	0.000	1	107.9530	0.027	2	107.8723	0.073	9	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)(H){1|S<4>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.0700	0.000	1	107.9530	0.027	2	107.8723	0.073	9	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]N)(CC[6a]HS)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[6]HH)(C[6]C[6]N)(CC[6a]HS)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]2C)	108.0600	0.000	1	108.0600	0.000	1	107.8723	0.073	9	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]HH)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	107.5210	0.276	2	107.5210	0.076	2	107.8723	0.073	9	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:P-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(PC[6]ReC)(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)(C[6]C[6]H)(PC[6]ReC)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2P)	101.6880	0.000	1	101.6880	0.000	1	101.6880	0.000	1	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CN)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]CN)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,2|S<2>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<2>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.0540	0.000	1	107.0540	0.000	1	106.8814	3.942	21	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|H<1>,7|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.3593	1.100	3	107.3593	1.210	3	106.8814	3.942	21	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]C)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]C)(H)2{1|Se<2>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.2810	0.000	1	107.2810	0.000	1	106.8814	3.942	21	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5a,6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[5a,6]O)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	108.1275	0.247	2	108.1275	0.061	2	106.8814	3.942	21	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.8610	0.000	1	106.8610	0.000	1	106.8814	3.942	21	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.9500	0.000	1	107.9500	0.000	1	106.8814	3.942	21	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.3000	0.000	1	103.8402	18.804	3	106.8814	3.942	21	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	102.1103	4.433	2	103.8402	18.804	3	106.8814	3.942	21	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.0310	0.000	1	108.0310	0.000	1	106.8814	3.942	21	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.2685	0.360	2	107.2685	0.130	2	106.8814	3.942	21	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.5790	0.000	1	106.5790	0.000	1	106.8814	3.942	21	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.6080	0.000	1	107.6080	0.000	1	106.8814	3.942	21	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.5920	0.000	1	107.5920	0.000	1	106.8814	3.942	21	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.7400	0.324	2	107.7400	0.105	2	106.8814	3.942	21	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]N[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6a]C[6]2)	105.6830	0.000	1	105.6830	0.000	1	106.8814	3.942	21	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6]C)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.1750	0.000	1	106.4877	0.512	3	106.9928	0.308	9	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6]C)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.1440	0.561	2	106.4877	0.512	3	106.9928	0.308	9	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.1660	0.000	1	107.1660	0.000	1	106.9928	0.308	9	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(H)2{2|C<2>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.0140	0.178	2	107.0140	0.032	2	106.9928	0.308	9	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|S<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(H)2{1|C<2>,1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.2390	0.000	1	107.2390	0.000	1	106.9928	0.308	9	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.5060	0.000	1	107.5060	0.000	1	106.9928	0.308	9	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.5330	0.000	1	107.5330	0.000	1	106.9928	0.308	9	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(N[6]C[6]C)(CC[6a]2O)(H)	C[6](C[6]N[6]CH)(C[6]N[6]O)(F)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]FH)(N[6]C[6]C)(CC[6a]2O)(H){1|N<3>,2|O<1>}	C[6](C[6]N[6]CH)(C[6]N[6]O)(F)(H){1|C<3>,2|C<4>}	H(C[6]C[6]N[6]C)	107.0860	0.000	1	107.0860	0.000	1	107.0860	0.000	1	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]C)	107.6470	0.000	1	107.6470	0.000	1	108.3298	0.791	26	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|I<1>,2|C<3>}	H(C[6]C[6]N[6]C)	108.5490	0.525	2	108.0480	0.273	6	108.3298	0.791	26	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]N[6]C)	107.9840	0.161	2	108.0480	0.273	6	108.3298	0.791	26	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.6110	0.414	2	108.0480	0.273	6	108.3298	0.791	26	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHO)(H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHO)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]C)	110.4950	0.000	1	110.4950	0.000	1	108.3298	0.791	26	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6]HH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6]HH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|Si<4>,2|C<3>}	H(C[6]C[6]N[6]C)	108.6530	0.000	1	108.6530	0.000	1	108.3298	0.791	26	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]2O)(H)	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]2O)(H){1|N<3>,2|O<1>}	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]N[6]C)	107.8050	0.000	1	107.8050	0.000	1	108.3298	0.791	26	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	108.3010	0.000	1	108.1163	0.024	4	108.3298	0.791	26	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<3>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|Br<1>,2|C<3>}	H(C[6]C[6]N[6]C)	107.9840	0.000	1	108.1163	0.024	4	108.3298	0.791	26	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<3>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|I<1>,2|C<3>}	H(C[6]C[6]N[6]C)	108.0900	0.134	2	108.1163	0.024	4	108.3298	0.791	26	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]N[6]C)	106.7440	0.000	1	107.3090	0.638	2	108.3298	0.791	26	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]N[6]C)	107.8740	0.000	1	107.3090	0.638	2	108.3298	0.791	26	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,2|O<1>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|S<3>}	H(C[6]C[6]N[6]C)	107.9940	0.000	1	107.8890	0.022	2	108.3298	0.791	26	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.7840	0.000	1	107.8890	0.022	2	108.3298	0.791	26	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|N<3>,1|O<1>,1|S<1>}	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]N[6]C)	108.4705	0.223	2	108.4705	0.050	2	108.3298	0.791	26	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H){1|C<4>,2|O<1>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	108.7560	0.410	2	108.7560	0.168	2	108.3298	0.791	26	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]O[6]O)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H){1|O<2>,2|O<1>}	C[6](C[6]N[6]CH)(C[6]O[6]O)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]N[6]C)	109.6870	1.195	2	109.6870	1.428	2	108.3298	0.791	26	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCFH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCFH)(H){1|C<3>,3|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6]C)	109.7670	0.000	1	109.7670	0.000	1	108.3298	0.791	26	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.2320	0.000	1	107.2320	0.000	1	108.3298	0.791	26	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]C)	108.5480	0.000	1	108.5480	0.000	1	107.8572	1.644	26	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6]HH)(H){2|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]N[6]C)	107.4760	0.000	1	107.4760	0.000	1	107.8572	1.644	26	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]N[6]C)	107.7020	0.000	1	107.2742	2.566	5	107.8572	1.644	26	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|S<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>}	H(C[6]C[6]N[6]C)	108.0650	0.427	3	107.2742	2.566	5	107.8572	1.644	26	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]N[6]C)	104.4740	0.000	1	107.2742	2.566	5	107.8572	1.644	26	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]N[6]C)	103.8870	0.000	1	103.8870	0.000	1	107.8572	1.644	26	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]N[6]C)	107.7110	0.000	1	108.0670	0.737	5	107.8572	1.644	26	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|S<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>}	H(C[6]C[6]N[6]C)	107.6180	0.000	1	108.0670	0.737	5	107.8572	1.644	26	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]C)	108.7570	0.000	1	108.0670	0.737	5	107.8572	1.644	26	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]C)	107.0910	0.000	1	108.0670	0.737	5	107.8572	1.644	26	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]N[6]C)	109.1580	0.000	1	108.0670	0.737	5	107.8572	1.644	26	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]C)	108.4770	0.000	1	108.4770	0.000	1	107.8572	1.644	26	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.1970	0.335	2	107.1970	0.112	2	107.8572	1.644	26	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(CCHH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]H)(CCHH)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	109.8080	0.000	1	109.8080	0.000	1	107.8572	1.644	26	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(CC[6]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]H)(CC[6]HH)(H){2|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	108.2330	0.000	1	108.2330	0.000	1	107.8572	1.644	26	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]N[6]C)	109.1110	0.000	1	108.9005	0.089	2	107.8572	1.644	26	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H){1|C<4>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	108.6900	0.000	1	108.9005	0.089	2	107.8572	1.644	26	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]N)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]N)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]N)(CH3)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]N)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]C)	109.0680	0.000	1	109.0680	0.000	1	107.8572	1.644	26	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(CCCH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]S)(CCCH)(H){2|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]C)	108.2220	0.000	1	108.2220	0.000	1	107.8572	1.644	26	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(CClHH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]S)(CClHH)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]N[6]C)	107.9900	0.000	1	107.9900	0.000	1	107.8572	1.644	26	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]S)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]N[6]C)	108.1280	0.000	1	108.1280	0.000	1	107.8572	1.644	26	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]S)(CH3)(H){1|C<4>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]N[6]C)	108.1540	0.000	1	108.1540	0.000	1	107.8572	1.644	26	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]O[6]C)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]O[6]C)(CH3)(H){1|C<4>,1|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]N[6]C)	107.3940	0.000	1	107.3940	0.000	1	107.8572	1.644	26	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-3:P-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(PO3)(H)	C[6](C[6]N[6]HP)(C[6]N[6]N)(H)2	H(C[6]C[6]N[6]P)	C[6](C[6]C[6]HH)(N[6]C[6]S)(PO3)(H){1|N<2>,1|N<3>,1|O<1>}	C[6](C[6]N[6]HP)(C[6]N[6]N)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6]P)	107.8640	0.000	1	107.8640	0.000	1	107.8640	0.000	1	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	P[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](P[6]C[6]2Pt)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]P[6])	C[6](P[6]C[6]2Pt)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2{1|Pt<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]P[6])	105.5295	1.271	2	105.5295	1.615	2	106.3482	0.874	6	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	P[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](P[6]C[6a]C[6]Pt)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6a]C[6]P[6])	C[6](P[6]C[6a]C[6]Pt)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2{1|Pt<4>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]P[6])	106.7575	0.498	4	106.7575	0.248	4	106.3482	0.874	6	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:1:1:	4:	S[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](S[6]C[6,6a]OO)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(H)2	H(C[6]C[6a]C[6]S[6])	C[6](S[6]C[6,6a]OO)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(H)2{2|O<1>,4|C<3>}	H(C[6]C[6a]C[6]S[6])	108.0425	0.081	2	108.0425	0.007	2	108.0425	0.007	2	107.2100	1.950	185	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-2:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]W)(CC3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CN)(H)	H(C[6]C[6]2C)	C[6](C[6]N[6]CH)(C[6]C[6]W)(CC3)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(CN)(H){1|C<4>,1|W<7>,2|H<1>}	H(C[6]C[6]2C)	107.1470	0.000	1	107.1470	0.000	1	107.1470	0.000	1	107.0161	5.642	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:2:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]C)(CN)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,2|C<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]C)(CN)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.5450	0.000	1	107.5450	0.000	1	107.5450	0.000	1	107.0161	5.642	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:2:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(OH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(OH)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]2)	106.9550	0.100	2	106.9550	0.010	2	107.4497	0.739	3	107.0161	5.642	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:2:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(OH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(OH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.4390	0.000	1	108.4390	0.000	1	107.4497	0.739	3	107.0161	5.642	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:2:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	99.8607	0.000	1	99.8607	0.000	1	103.5548	27.293	2	107.0161	5.642	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:2:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.2490	0.000	1	107.2490	0.000	1	103.5548	27.293	2	107.0161	5.642	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:2:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]HO)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(OH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]HO)(H){2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(OH)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.0350	0.000	1	108.0350	0.000	1	107.4290	0.439	3	107.0161	5.642	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:2:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]HO)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(OC)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]HO)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(OC)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.1260	0.573	2	107.1260	0.328	2	107.4290	0.439	3	107.0161	5.642	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]O)(CHHO)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(OH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]O)(CHHO)(H){1|C<3>,3|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6]C)	108.8780	0.385	2	108.8780	0.148	2	108.8780	0.148	2	107.0161	5.642	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:2:2:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-2:C-2:	C[6]-4:	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]N)(CN)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|O<1>,2|N<3>,3|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]N)(CN)2{1|C<2>,1|C<4>,1|S<2>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	105.1710	0.192	2	105.1710	0.037	2	105.1710	0.037	2	106.0492	0.527	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:2:2:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-2:C-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]N)(CN)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|Br<1>,1|N<3>,1|S<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]N)(CN)2{1|C<2>,1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.8520	0.000	1	106.7325	0.029	2	106.7325	0.029	2	106.0492	0.527	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:2:2:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-2:C-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]N)(CN)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]N)(CN)2{1|C<2>,1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.6130	0.000	1	106.7325	0.029	2	106.7325	0.029	2	106.0492	0.527	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:2:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-2:O-2:	C[6]-4:	C[6](C[6]C[6]OO)(C[6]C[6]C)(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)2	H(C[6]C[6]2C)	C[6](C[6]C[6]OO)(C[6]C[6]C)(CCHN)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)2{1|H<1>,2|C<3>}	H(C[6]C[6]2C)	106.1470	0.000	1	106.1470	0.000	1	106.1470	0.000	1	106.0492	0.527	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:2:2:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-2:C-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CN)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CN)2{1|C<2>,1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.3410	0.000	1	106.3410	0.000	1	106.3410	0.000	1	106.0492	0.527	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:3:1:	4:	C[5,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[5a]C[5a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]O)(COO)(H)	H(C[6]C[5,6]C[5a]C[6])	C[6](C[5,6]C[5]2C[6])(C[5a]C[5a]2)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<1>,2|N<3>,2|O<2>,7|H<1>}	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]O)(COO)(H){2|C<3>,4|C<4>}	H(C[6]C[5,6]C[5a]C[6])	106.7650	0.000	1	106.7650	0.000	1	106.7650	0.000	1	107.3459	1.227	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:3:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])(COO)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,4|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])(COO)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.0780	0.000	1	106.0780	0.000	1	106.0780	0.000	1	107.3459	1.227	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.5790	0.000	1	106.5790	0.000	1	105.7713	3.028	3	107.3459	1.227	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]O)(COO)(H){1|C<3>,1|H<1>}	H(C[6]C[6]2C)	106.9610	0.000	1	106.9610	0.000	1	105.7713	3.028	3	107.3459	1.227	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CC[6a]HH)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(COO)(H){1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	103.7740	0.000	1	103.7740	0.000	1	105.7713	3.028	3	107.3459	1.227	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(NCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HN)(C[6]C[6]C)(CH3)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]O[6]O)(NCH)(H){1|C<3>,1|C<4>}	H(C[6]C[6]2C)	107.9260	0.000	1	107.9260	0.000	1	107.9260	0.000	1	107.3459	1.227	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]Rh)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]N[6]CH)(C[6]C[6]H)(CH3)(H){1|Rh<8>,1|C<3>,1|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]Rh)(COO)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2C)	108.0940	0.000	1	108.0940	0.000	1	108.0940	0.000	1	107.3459	1.227	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCO)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	109.4400	0.000	1	109.4400	0.000	1	108.0227	0.908	6	107.3459	1.227	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(CC[6a]O)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(CC[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]2)	106.5050	0.000	1	106.5050	0.000	1	108.0227	0.908	6	107.3459	1.227	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5a,6]O)(COO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[5a,6]O)(COO)(H){1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	108.0645	0.200	2	108.0645	0.040	2	108.0227	0.908	6	107.3459	1.227	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]O)(COO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|Br<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]O)(COO)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.3350	0.000	1	108.0310	0.185	2	108.0227	0.908	6	107.3459	1.227	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]O)(COO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]O)(COO)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.7270	0.000	1	108.0310	0.185	2	108.0227	0.908	6	107.3459	1.227	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(NOO)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]2)	107.8430	0.000	1	107.8430	0.000	1	107.8430	0.000	1	107.3459	1.227	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|H<1>,3|C<2>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.3510	0.000	1	106.3510	0.000	1	107.4140	0.360	5	107.3459	1.227	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,5|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.5750	0.000	1	107.5750	0.000	1	107.4140	0.360	5	107.3459	1.227	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.6230	0.000	1	107.6230	0.000	1	107.4140	0.360	5	107.3459	1.227	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H){3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<2>,1|P<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.7440	0.000	1	107.7605	0.001	2	107.4140	0.360	5	107.3459	1.227	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H){3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,3|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	107.7770	0.000	1	107.7605	0.001	2	107.4140	0.360	5	107.3459	1.227	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:3:1:	4:	C[6]-4:C[6a]-3:P[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(P[6]O[6]OO)(H)	C[6](C[6]C[6a]P[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	H(C[6]C[6a]C[6]P[6])	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(P[6]O[6]OO)(H){3|H<1>,5|C<3>}	C[6](C[6]C[6a]P[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<1>,2|H<1>,2|O<2>,5|C<3>}	H(C[6]C[6a]C[6]P[6])	107.1060	0.000	1	107.1060	0.000	1	107.1060	0.000	1	107.3459	1.227	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:3:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:S-3:H-1:	C[6]-4:	C[6](C[6]C[6]HS)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(SC[6a]O)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HS)(N[6]C[6]S)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(SC[6a]O)(H){1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6]C)	107.6390	0.454	2	107.6390	0.206	2	107.6390	0.206	2	107.3459	1.227	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3){5|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	105.9150	0.000	1	105.9150	0.000	1	105.9150	0.000	1	105.9150	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CH3)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CH3)(H){2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.8500	0.000	1	106.8500	0.000	1	106.4350	0.253	4	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CH3)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<2>,2|H<1>,2|O<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CH3)(H){1|H<1>,5|C<3>}	H(C[6]C[5,6]C[6a]C[6])	105.8950	0.000	1	105.8950	0.000	1	106.4350	0.253	4	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CH3)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,3|H<1>,3|O<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CH3)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.1180	0.000	1	106.4975	0.288	2	106.4350	0.253	4	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CH3)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|H<1>,3|O<1>,6|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CH3)(H){1|H<1>,5|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.8770	0.000	1	106.4975	0.288	2	106.4350	0.253	4	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:P-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HP)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(PO3)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HP)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(PO3)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.2910	0.000	1	107.2910	0.000	1	107.2910	0.000	1	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[5]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CO)(C[5]C[5]O[5])(C[6]C[6]CH)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6,6a]O)(CH3)(H)	H(C[6]C[5]C[6]2)	C[6](C[6]C[6,6a]CO)(C[5]C[5]O[5])(C[6]C[6]CH)(H){1|C<4>,1|O<1>,4|C<3>}	C[6](C[6]C[5]C[6]H)(C[6]C[6,6a]O)(CH3)(H){1|C<4>,2|O<2>,3|C<3>}	H(C[6]C[5]C[6]2)	107.3530	0.000	1	107.3530	0.000	1	107.3530	0.000	1	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[5a]N[5a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(C[5a]N[5a]2)(C[6]C[6]HH)(H)	H(C[6]C[5a]C[6]2)	C[6](C[6]C[5a]C[6]H)(C[5a]N[5a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[5a]N[5a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5a]C[6]2)	108.2970	0.450	2	108.2970	0.202	2	108.2970	0.202	2	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CH3)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CH3)(H){1|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<2>,2|H<1>,2|O<1>,5|C<3>}	H(C[6]C[6]2C)	108.0240	0.000	1	108.0240	0.000	1	107.5175	0.126	4	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CH3)(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CH3)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,3|H<1>,3|O<1>,5|C<3>}	H(C[6]C[6]2C)	107.4200	0.000	1	107.4255	0.000	2	107.5175	0.126	4	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CH3)(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CH3)(H){1|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|H<1>,3|O<1>,6|C<3>}	H(C[6]C[6]2C)	107.4310	0.000	1	107.4255	0.000	2	107.5175	0.126	4	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CH3)(H){2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,4|C<3>,5|H<1>}	H(C[6]C[6]2C)	107.1950	0.000	1	107.1950	0.000	1	107.5175	0.126	4	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[5]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6,6a]O)(CH3)(H)	C[6](C[6]C[6,6a]CO)(C[5]C[5]O[5])(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]H)(C[6]C[6,6a]O)(CH3)(H){1|C<4>,2|O<2>,3|C<3>}	C[6](C[6]C[6,6a]CO)(C[5]C[5]O[5])(C[6]C[6]CH)(H){1|C<4>,1|O<1>,4|C<3>}	H(C[6]C[6]2C)	106.2650	0.000	1	106.2650	0.000	1	106.2650	0.000	1	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC3)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|H<1>,2|C<3>}	H(C[6]C[6]2C)	109.7750	0.000	1	109.7750	0.000	1	107.7717	2.142	6	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CF3)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CF3)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCHH)(H){1|C<3>,1|H<1>}	H(C[6]C[6]2C)	108.4500	0.000	1	108.4500	0.000	1	107.7717	2.142	6	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC3)(H){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]2C)	108.5290	0.000	1	108.5290	0.000	1	107.7717	2.142	6	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|O<1>,3|C<4>}	H(C[6]C[6]2C)	107.3940	0.000	1	107.1405	0.129	2	107.7717	2.142	6	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|O<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	106.8870	0.000	1	107.1405	0.129	2	107.7717	2.142	6	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CF3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCHH)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CF3)(H){1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	105.5950	0.000	1	105.5950	0.000	1	107.7717	2.142	6	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HP)(C[6]O[6]O)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(PO3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HP)(C[6]O[6]O)(CC[6a]HH)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(PO3)(H){1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	105.7900	0.000	1	105.7900	0.000	1	105.7900	0.000	1	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]C)(CH3)(H)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]C)(CH3)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6]2C)	107.0200	0.000	1	107.0200	0.000	1	106.6652	0.974	5	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CCCH)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CCCH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2C)	105.5170	0.000	1	105.5170	0.000	1	106.6652	0.974	5	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CH3)(H)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(C[6]C[6]2C)	106.8240	0.000	1	106.9297	1.120	3	106.6652	0.974	5	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CH3)(H)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6]2C)	106.9825	1.491	2	106.9297	1.120	3	106.6652	0.974	5	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	107.1290	0.211	2	107.1290	0.044	2	106.8037	1.620	7	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]O)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]N[6]CH)(C[6]N[6]O)(CC[6a]HH)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H){1|N<3>,1|O<1>,1|S<1>}	H(C[6]C[6]2C)	107.2200	0.345	2	107.2200	0.119	2	106.8037	1.620	7	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[6a]2O)(H)	H(C[6]C[6]2C)	C[6](C[6]N[6]CH)(C[6]N[6]O)(CH3)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[6a]2O)(H){1|N<3>,2|O<1>}	H(C[6]C[6]2C)	106.3093	2.033	3	106.3093	4.132	3	106.8037	1.620	7	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]H)(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]H)(C[6]C[6]2H)(H)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]H)(C[6]C[6]2H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]H)(C[6]C[6]2H)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6]3)	105.8430	0.000	1	105.8430	0.000	1	105.8430	0.000	1	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:P-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(PO3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HP)(H)	H(C[6]C[6]2P)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(PO3)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HP)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2P)	105.9670	0.000	1	105.9670	0.000	1	105.9670	0.000	1	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:P-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(PO3)(H)	C[6](C[6]C[6]HP)(C[6]O[6]O)(CC[6a]HH)(H)	H(C[6]C[6]2P)	C[6](C[6]C[6]CH)(C[6]C[6]H)(PO3)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HP)(C[6]O[6]O)(CC[6a]HH)(H){1|C<3>,1|H<1>}	H(C[6]C[6]2P)	107.2890	0.000	1	107.2890	0.000	1	107.2890	0.000	1	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CH3)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6a]C[6]2)	108.2790	0.000	1	107.6913	1.317	3	107.5236	0.834	5	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CH3)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6a]C[6]2)	107.3975	1.455	2	107.6913	1.317	3	107.5236	0.834	5	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]C)(CH3)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]C)(CH3)(H){2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.7760	0.000	1	106.7760	0.000	1	107.5236	0.834	5	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CCCH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CCCH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.7680	0.000	1	107.7680	0.000	1	107.5236	0.834	5	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,4|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,5|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	105.6980	0.000	1	105.6980	0.000	1	107.3306	0.680	24	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.7520	0.000	1	107.7520	0.000	1	107.3306	0.680	24	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,5|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,4|C<3>,6|H<1>}	H(C[6]C[6a]C[6]2)	105.7180	0.000	1	105.7180	0.000	1	107.3306	0.680	24	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){5|C<3>,6|H<1>}	H(C[6]C[6a]C[6]2)	107.6905	0.361	2	107.6223	0.070	6	107.3306	0.680	24	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.4275	0.107	2	107.6223	0.070	6	107.3306	0.680	24	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){5|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.7490	0.304	2	107.6223	0.070	6	107.3306	0.680	24	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,4|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.7160	0.000	1	107.7160	0.000	1	107.3306	0.680	24	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.5803	1.139	3	107.5803	1.297	3	107.3306	0.680	24	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]HO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]HO)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.9205	0.158	2	106.9205	0.025	2	107.3306	0.680	24	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|O<2>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	108.4930	0.000	1	108.4930	0.000	1	107.3306	0.680	24	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	106.3050	0.000	1	106.3050	0.000	1	107.3306	0.680	24	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]HO)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]HO)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.1560	0.610	2	107.1560	0.372	2	107.3306	0.680	24	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.0570	0.000	1	108.0570	0.000	1	107.3306	0.680	24	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.1320	0.000	1	108.1320	0.000	1	107.3306	0.680	24	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.1450	0.983	3	107.1450	0.966	3	107.3306	0.680	24	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(CCHH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|S<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(CCHH)(H){1|C<2>,1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.5940	0.000	1	106.5940	0.000	1	106.4015	0.074	2	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(CC[6a]HH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(CC[6a]HH)(H){1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.2090	0.000	1	106.2090	0.000	1	106.4015	0.074	2	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:C[6a]-3:N[6]-4:H-1:	C[6]-4:C[6a]-3:N[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]HH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]HH)(H){1|C<4>,4|C<3>,6|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]HH)(H){1|C<4>,4|C<3>,6|H<1>}	H(C[6]C[6a]C[6]N[6])	108.0880	0.057	2	108.0880	0.003	2	108.0880	0.003	2	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:N[5a]-3:C[6]-4:H-1:	C[6]-4:N[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(N[5a]C[5a]2)(C[6]C[6]HH)(H)	C[6](C[6]N[5a]C[6]H)(N[5a]C[5a]2)(C[6]C[6]HH)(H)	H(C[6]N[5a]C[6]2)	C[6](C[6]N[5a]C[6]H)(N[5a]C[5a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(N[5a]C[5a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	H(C[6]N[5a]C[6]2)	107.2065	0.259	4	107.2065	0.067	4	107.2065	0.067	4	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:N[5a]-3:C[6]-4:H-1:	C[6]-4:N[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6a]C[6]H)(N[5a]C[5a]2)(C[6]C[6]HH)(H)	C[6](C[6]N[5a]C[6]H)(N[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]N[5a]C[6]2)	C[6](C[6]N[6a]C[6]H)(N[5a]C[5a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(N[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	H(C[6]N[5a]C[6]2)	107.0380	0.000	1	107.0380	0.000	1	107.0380	0.000	1	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[6a]2O)(H)	C[6](C[6]N[6]CH)(C[6]N[6]O)(CH3)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[6a]2O)(H){1|N<3>,2|O<1>}	C[6](C[6]N[6]CH)(C[6]N[6]O)(CH3)(H){1|C<3>,2|C<4>}	H(C[6]C[6]N[6]C)	106.9497	1.099	3	106.9497	1.207	3	107.5140	0.741	7	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H){1|C<3>,2|C<4>}	H(C[6]C[6]N[6]C)	107.7235	0.245	2	107.7235	0.060	2	107.5140	0.741	7	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]N[6]O)(CC[6a]HH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H){1|N<3>,1|O<1>,1|S<1>}	C[6](C[6]N[6]CH)(C[6]N[6]O)(CC[6a]HH)(H){1|C<4>,2|C<3>}	H(C[6]C[6]N[6]C)	108.1510	0.339	2	108.1510	0.115	2	107.5140	0.741	7	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(CC[6a]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]N[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(CC[6a]HH)(H){1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|C<4>,2|H<1>,6|C<3>}	H(C[6]C[6]N[6]C)	107.4050	0.000	1	107.4050	0.000	1	107.2085	0.077	2	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(CCHH)(H){1|C<2>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6]C)	107.0120	0.000	1	107.0120	0.000	1	107.2085	0.077	2	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]S)(CCHH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]CH)(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]S)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.8470	0.000	1	107.8470	0.000	1	108.2140	0.391	4	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]H)(CCCH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]S)(CCHH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]CH)(N[6]C[6]H)(CCCH)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]S)(CCHH)(H){1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	107.5600	0.000	1	107.5600	0.000	1	108.2140	0.391	4	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(CC[6a]HH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]CH)(N[6]C[6]S)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]C)	108.9360	0.000	1	108.9360	0.000	1	108.2140	0.391	4	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(CCCH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]CH)(N[6]C[6]S)(CCHH)(H){1|C<4>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(CCCH)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]C)	108.5130	0.000	1	108.5130	0.000	1	108.2140	0.391	4	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(N[6]B[6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]N[6]H)(N[6]B[6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]N[6]H)(N[6]B[6]C[6])(C[6]C[6]HH)(H){1|B<4>,1|C<4>,1|O<2>,2|C<3>,2|F<1>,5|H<1>}	C[6](C[6]C[6]N[6]H)(N[6]B[6]C[6])(C[6]C[6]HH)(H){1|B<4>,1|C<4>,1|O<2>,2|C<3>,2|F<1>,5|H<1>}	H(C[6]C[6]2N[6])	107.8005	0.544	2	107.8005	0.296	2	107.8715	0.652	4	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:N[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H)	C[6](C[6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2N[6])	107.9425	1.281	2	107.9425	1.640	2	107.8715	0.652	4	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:1:	4:	C[6]-4:N[6a]-3:C[6]-4:H-1:	C[6]-4:N[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(N[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]N[6a]C[6]H)(N[5a]C[5a]2)(C[6]C[6]HH)(H)	H(C[6]N[6a]C[6]2)	C[6](C[6]N[5a]C[6]H)(N[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[6]N[6a]C[6]H)(N[5a]C[5a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	H(C[6]N[6a]C[6]2)	107.1380	0.000	1	107.1380	0.000	1	107.1380	0.000	1	107.2821	0.870	91	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]C[6]O)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)(OH){1|C<4>,1|O<1>}	H(C[6]C[6]2C)	107.6160	0.000	1	107.6160	0.000	1	107.6160	0.000	1	107.6770	0.007	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:2:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]N[6]CH)(C[6]N[6]O)(CH3)(OH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CO)(N[6]C[6]C)(CCHH)(H){1|N<3>,2|O<1>}	C[6](C[6]N[6]CH)(C[6]N[6]O)(CH3)(OH){1|C<3>,2|C<4>}	H(C[6]C[6]N[6]C)	107.7380	0.000	1	107.7380	0.000	1	107.7380	0.000	1	107.6770	0.007	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:3:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(CH3)(NCH)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(CH3)(NCH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]2)	106.6500	0.000	1	106.6500	0.000	1	106.6227	0.193	3	106.6227	0.193	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:3:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CH3)(NOO)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CH3)(NOO){1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.6090	0.621	2	106.6090	0.385	2	106.6227	0.193	3	106.6227	0.193	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(CH3)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|O<2>,5|H<1>,6|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(CH3)2{1|C<4>,1|S<4>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	104.2890	0.000	1	104.2890	0.000	1	104.2890	0.000	1	105.7037	2.141	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	105.6110	0.000	1	105.6110	0.000	1	105.6110	0.000	1	105.7037	2.141	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:3:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(N[6]C[6,6a]S)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]CH)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]C[6]C)(N[6]C[6,6a]S)(CCHH)(H){1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]CH)(CH3){1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6]C)	107.2110	0.000	1	107.2110	0.000	1	107.2110	0.000	1	105.7037	2.141	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[3,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[6]O[3])(N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[3,6]N[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[3,6]N[6,6]C[6])	C[6](C[3,6]C[3,6]C[6]O[3])(N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H){1|C<2>,1|N<3>,4|C<4>,7|H<1>}	C[6](C[6]C[3,6]N[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[3,6]N[6,6]C[6])	108.4470	0.195	2	108.4470	0.038	2	108.4470	0.038	2	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[4,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]N[4,6]C[4]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[4,6]C[6a]H)(C[6]O[6]HO)(H)2	H(C[6]C[4,6]C[6a]C[6])	C[6](C[4,6]N[4,6]C[4]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[4,6]C[6a]H)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[4,6]C[6a]C[6])	107.6540	0.000	1	107.6540	0.000	1	107.6540	0.000	1	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[5a]C[6])	C[6](C[5,6]C[5]2C[6])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,5|H<1>}	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,1|S<4>,3|C<3>}	H(C[6]C[5,6]C[5a]C[6])	106.7640	0.000	1	106.7640	0.000	1	107.2040	0.881	3	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]HO)(H)2	H(C[6]C[5,6]C[5a]C[6])	C[6](C[5,6]C[5]2C[6])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]HO)(H)2{1|C<4>,1|O<2>,1|S<4>,3|C<3>}	H(C[6]C[5,6]C[5a]C[6])	108.2820	0.000	1	108.2820	0.000	1	107.2040	0.881	3	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[5a]C[6])	C[6](C[5,6]C[5]C[6]N[5])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|N<3>,3|C<3>,6|H<1>}	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[5a]C[6])	106.5660	0.000	1	106.5660	0.000	1	107.2040	0.881	3	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]C[6a]O)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|C<3>,6|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]C[6a]O)(H)2{1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.2810	0.000	1	106.2810	0.000	1	106.9454	0.321	23	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CC)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]O[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CC)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.8640	0.000	1	106.8640	0.000	1	106.9454	0.321	23	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]S[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]C[5]S[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HO)(H)2{1|H<1>,1|S<2>,5|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.8385	0.245	2	106.8385	0.060	2	106.9454	0.321	23	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[5,6]C[6a]H)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|N<3>,3|H<1>,6|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[5,6]C[6a]H)(H)2{8|C<3>}	H(C[6]C[5,6]C[6a]C[6])	105.9980	0.315	2	105.9980	0.099	2	106.9454	0.321	23	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[5a,6]HO)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|N<3>,3|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]N[5a,6]HO)(H)2{1|N<3>,5|C<3>}	H(C[6]C[5,6]C[6a]C[6])	107.0030	0.351	2	107.0030	0.123	2	106.9454	0.321	23	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]Si[5,6]B)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]Si[5,6]B)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,4|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H)2{1|Si<4>,1|B<3>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.1470	0.000	1	106.1470	0.000	1	106.9454	0.321	23	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]HN)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|O<1>,4|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]HN)(H)2{1|C<4>,6|C<3>}	H(C[6]C[5,6]C[6a]C[6])	107.0140	0.000	1	107.0140	0.000	1	106.9454	0.321	23	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]C[6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CH)(H)2{1|C<4>,2|N<2>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.8455	0.165	2	106.8455	0.027	2	106.9454	0.321	23	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(H)2{1|C<4>,1|N<2>,2|O<2>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	107.1463	0.506	6	107.1970	0.231	7	106.9454	0.321	23	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|O<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(H)2{1|C<4>,1|N<2>,2|O<2>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	107.5010	0.000	1	107.1970	0.231	7	106.9454	0.321	23	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,3|O<2>,4|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5,6]C[6a]C[6])	107.9680	0.000	1	107.9680	0.000	1	106.9454	0.321	23	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]N[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.5710	0.000	1	106.5710	0.000	1	106.9454	0.321	23	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]S[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]S[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(H)2{1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	107.5750	0.100	2	107.5750	0.010	2	106.9454	0.321	23	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]N[5a]H)(C[6]C[5,6]OO)(H)2	H(C[6]C[5,6]N[5a]C[6])	C[6](C[5,6]O[5,6]C[5]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>,3|O<2>}	C[6](C[6]C[5,6]N[5a]H)(C[6]C[5,6]OO)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<2>}	H(C[6]C[5,6]N[5a]C[6])	107.3010	0.000	1	107.3010	0.000	1	108.2073	0.487	4	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6]-4:N[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(N[5a]N[5a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]N[5a]H)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]N[5a]C[6])	C[6](C[5,6]O[5,6]C[5]H)(N[5a]N[5a]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]N[5a]H)(C[6]C[5,6]HO)(H)2{1|C<4>,2|H<1>,2|N<2>,2|O<2>}	H(C[6]C[5,6]N[5a]C[6])	108.5093	0.429	3	108.5093	0.184	3	108.2073	0.487	4	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5,6]C[5]C)(C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6]C[5]C)(C[6]C[6,6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[5]C[6]2)	106.3175	0.168	2	106.3175	0.028	2	106.7887	0.680	3	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]N[5]H)(C[6]C[6]N[6])(C[6]C[6]HH)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]N[5]H)(C[6]C[6]N[6])(C[6]C[6]HH)(H){1|N<3>,1|S<4>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	H(C[6]C[5]C[6]2)	107.7310	0.000	1	107.7310	0.000	1	106.7887	0.680	3	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]2)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6,6a]O)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6](C[6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<1>,4|C<3>}	H(C[6]C[6,6]C[6]2)	104.7780	0.000	1	104.7780	0.000	1	104.7780	0.000	1	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]CO)(H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]CO)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6a]C[6])	104.8130	0.748	2	104.8130	0.560	2	107.0160	1.693	17	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.1270	0.000	1	106.1270	0.000	1	107.0160	1.693	17	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HO)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.2950	0.000	1	106.2950	0.000	1	107.0160	1.693	17	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CO)(H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CO)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6a]C[6])	107.0200	0.000	1	107.0200	0.000	1	107.0160	1.693	17	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]N[6]H)(H)2{1|H<1>,1|O<2>,2|C<4>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.9940	0.000	1	107.9940	0.000	1	107.0160	1.693	17	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|C<3>,8|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.3570	0.000	1	106.3570	0.000	1	107.0160	1.693	17	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,7|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6a]C[6])	109.0080	0.000	1	109.0080	0.000	1	107.0160	1.693	17	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|O<2>,4|C<3>,5|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6a]C[6])	108.2280	0.000	1	108.2280	0.000	1	107.0160	1.693	17	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6a]C[6])	109.3360	0.000	1	109.3360	0.000	1	107.0160	1.693	17	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6]2O[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,7|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.3560	0.000	1	106.3560	0.000	1	107.0160	1.693	17	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|H<1>,7|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.7360	0.000	1	106.7360	0.000	1	107.0160	1.693	17	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]O[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.2013	1.016	3	107.2013	1.031	3	107.0160	1.693	17	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CC)(H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,2|O<2>,3|C<4>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CC)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.7790	0.000	1	107.7790	0.000	1	107.0160	1.693	17	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CH)(H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.8060	0.000	1	106.8060	0.000	1	107.0160	1.693	17	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[3a]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[3a]C[3a]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3a]C[6]H)(H)2	H(C[6]C[3a]C[6]2)	C[6](C[6]C[6,6]HH)(C[3a]C[3a]2)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3a]C[6]H)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[3a]C[6]2)	106.1150	0.000	1	106.1150	0.000	1	106.1150	0.000	1	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[3a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[3a]C[3a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[3a]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[3a]C[6]2)	C[6](C[6]C[6,6]HH)(C[3a]C[3a]2)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[3a]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[3a]C[6]2)	106.1040	0.000	1	106.1040	0.000	1	106.1040	0.000	1	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[5a]N[5a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[6]C[5a]C[6]H)(C[5a]N[5a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(C[6]C[5a]C[6]2)	108.2990	0.509	2	108.2990	0.259	2	108.2185	0.116	4	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[5a]C[5a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[5a]C[6]2)	C[6](C[6]C[6,6a]HN)(C[5a]C[5a]2)(C[6]C[6]HH)(H){1|S<2>,3|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[5a]C[6]2)	108.1380	0.250	2	108.1380	0.063	2	108.2185	0.116	4	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]O)(CC[5a]CC)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[3,6]HH)(C[6]C[6]O)(CC[5a]CC)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[6]2C)	107.3900	0.000	1	107.3900	0.000	1	107.3900	0.000	1	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]C)(CCHH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]CH)(H)2{1|O<2>,3|C<3>,3|C<4>}	H(C[6]C[6]2C)	106.8700	0.000	1	106.8700	0.000	1	106.0835	1.237	2	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(CH3)(H)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(CH3)(H){4|C<4>}	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]CH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	105.2970	0.000	1	105.2970	0.000	1	106.0835	1.237	2	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(CH3)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	105.9870	0.000	1	105.9870	0.000	1	107.2724	0.935	25	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CH3)(H)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6]2C)	108.7240	0.000	1	108.7240	0.000	1	107.2724	0.935	25	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5a,6]O)(CH3)(H)	C[6](C[5,6]C[5a,6]S[5]2)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[5a,6]O)(CH3)(H){2|C<3>,2|S<2>}	C[6](C[5,6]C[5a,6]S[5]2)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2C)	107.7320	0.000	1	107.7320	0.000	1	107.2724	0.935	25	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCHH)(H)	C[6](C[5,6]C[5]2O[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCHH)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5]2O[6])(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[6]2C)	107.7670	0.000	1	107.7670	0.000	1	107.2724	0.935	25	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6]2C)	107.3080	0.624	2	106.3652	0.669	6	107.2724	0.935	25	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(H)2{1|O<1>,2|C<4>,4|C<3>}	H(C[6]C[6]2C)	106.0010	0.276	3	106.3652	0.669	6	107.2724	0.935	25	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,4|C<3>}	H(C[6]C[6]2C)	105.5720	0.000	1	106.3652	0.669	6	107.2724	0.935	25	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCCH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2C)	107.3515	0.474	2	107.3515	0.225	2	107.2724	0.935	25	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCCH)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2C)	107.8210	0.000	1	107.8210	0.000	1	107.2724	0.935	25	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCHH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.9080	0.000	1	107.9080	0.000	1	107.2724	0.935	25	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCHH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	108.9490	0.537	2	108.9490	0.289	2	107.2724	0.935	25	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCHH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]2C)	107.2210	0.000	1	107.2210	0.000	1	107.2724	0.935	25	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CC[6a]CH)(H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CC[6a]CH)(H){1|Fe<8>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.4490	0.000	1	108.4490	0.000	1	107.2724	0.935	25	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.4710	0.000	1	107.4710	0.000	1	107.2724	0.935	25	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CCHH)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[6]C[6]2C)	107.3740	0.000	1	107.3740	0.000	1	107.2724	0.935	25	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CCHO)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CCHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.3090	0.000	1	106.3090	0.000	1	107.2724	0.935	25	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CC[6a]CH)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CC[6a]CH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.4970	0.000	1	106.4970	0.000	1	107.2724	0.935	25	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CH3)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CH3)(H){4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|O<1>,3|C<3>}	H(C[6]C[6]2C)	107.4950	0.000	1	107.4950	0.000	1	107.2724	0.935	25	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6,6]O)(CCHH)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]N[6,6]O)(CCHH)(H){2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	107.2280	0.000	1	107.2280	0.000	1	107.2724	0.935	25	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]O)(CCHH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]N[6]O)(CCHH)(H){2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	107.0340	0.000	1	107.0340	0.000	1	107.2724	0.935	25	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CCHH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.1130	0.000	1	106.1130	0.000	1	107.1095	0.265	14	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.7325	0.221	2	107.7325	0.049	2	107.1095	0.265	14	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{2|C<4>,3|O<1>}	H(C[6]C[6]2C)	107.3335	0.036	2	107.3335	0.001	2	107.1095	0.265	14	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2C)	107.6865	0.125	2	107.6865	0.016	2	107.1095	0.265	14	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCCH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2C)	106.8030	0.000	1	106.8030	0.000	1	107.1095	0.265	14	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCCH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,5|C<4>}	H(C[6]C[6]2C)	106.8895	0.350	2	106.8895	0.123	2	107.1095	0.265	14	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2C)	106.8970	0.000	1	106.8970	0.000	1	107.1095	0.265	14	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CH3)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2C)	106.5600	0.000	1	106.5600	0.000	1	107.1095	0.265	14	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CHHO)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CHHO)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2C)	106.9380	0.352	2	106.9380	0.124	2	107.1095	0.265	14	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(Cl)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]ClH)(C[6]C[6]O)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(Cl)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	107.7300	0.000	1	107.7300	0.000	1	107.7300	0.000	1	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]Br)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(CC3)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|O<1>}	H(C[6]C[6]2C)	107.0880	0.000	2	107.0880	0.000	2	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CB[5]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]SS)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CB[5]HH)(H){1|C<4>,2|H<1>,2|S<4>}	C[6](C[6]C[6]CH)(C[6]C[6]SS)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.3280	0.000	1	107.3280	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.0030	0.000	1	106.0030	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	104.7480	0.000	1	106.0550	3.416	2	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2C)	107.3620	0.000	1	106.0550	3.416	2	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]2C)	106.4390	0.000	1	106.7240	0.162	2	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[6]C[6]2C)	107.0090	0.000	1	106.7240	0.162	2	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.7230	0.559	2	107.0196	0.308	7	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.7382	0.195	5	107.0196	0.308	7	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.9050	0.000	1	107.4495	0.415	2	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H){1|C<4>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2C)	106.9940	0.000	1	107.4495	0.415	2	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	106.8880	0.000	1	107.8332	0.603	4	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.5070	0.000	1	107.8332	0.603	4	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.4690	0.000	2	107.8332	0.603	4	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[6]C[6]2C)	108.3500	0.000	1	108.3500	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{2|C<3>}	H(C[6]C[6]2C)	106.8340	0.000	1	106.8340	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.1930	0.000	1	106.1930	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[5a]CH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[5a]CH)(H){1|N<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2C)	106.5960	0.000	1	106.5960	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.7510	0.000	1	108.7510	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2C)	107.6570	0.000	1	107.6570	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	107.1810	0.540	2	107.5493	0.553	3	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	108.2860	0.000	1	107.5493	0.553	3	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHI)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHI)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]2C)	108.7440	0.000	1	108.7440	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|C<4>}	H(C[6]C[6]2C)	107.7610	0.000	1	107.7610	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HW)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC3)(H){1|C<4>,1|W<7>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HW)(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.5920	0.000	1	107.5920	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2C)	106.5450	0.000	1	106.5450	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCW)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCW)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.9900	0.000	1	107.9900	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHN)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2C)	106.9090	0.000	1	106.9090	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHO)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2C)	110.3820	0.000	1	110.3820	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[5]CO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[5]CO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.5730	0.000	1	107.5730	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]CO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]CO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2C)	110.1015	1.056	2	110.1015	1.115	2	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.1340	0.000	1	107.1340	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]2H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.1930	0.000	1	107.1930	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.2730	0.000	1	108.2730	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2C)	106.0550	0.000	1	106.0550	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HN)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.2270	0.075	2	107.2270	0.006	2	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	108.1420	0.000	1	108.1420	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2C)	107.7560	0.000	1	107.7560	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6]2C)	109.8850	0.000	1	109.8850	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2C)	105.5610	0.000	1	105.5610	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CInHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CInHH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.3480	0.000	1	107.3480	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<4>}	H(C[6]C[6]2C)	106.7117	0.847	3	106.8945	0.612	4	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2C)	107.4430	0.000	1	106.8945	0.612	4	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2C)	107.7985	0.562	2	107.7985	0.316	2	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[6]2C)	108.4530	0.000	1	107.6215	1.383	2	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2C)	106.7900	0.000	1	107.6215	1.383	2	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(H){1|N<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|N<3>,2|C<3>}	H(C[6]C[6]2C)	108.3490	0.000	1	108.3490	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2C)	109.4740	0.000	1	107.8303	2.223	3	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2C)	107.4520	0.000	1	107.8303	2.223	3	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	106.5650	0.000	1	107.8303	2.223	3	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2C)	106.3550	0.000	1	106.8484	1.707	9	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	107.9305	0.330	4	106.8484	1.707	9	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2C)	105.9510	0.165	2	106.8484	1.707	9	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2C)	104.2980	0.000	1	106.8484	1.707	9	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2C)	107.3590	0.000	1	106.8484	1.707	9	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	107.8665	0.066	2	107.8665	0.004	2	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2C)	106.6450	0.687	2	106.6450	0.472	2	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	107.5690	0.000	1	107.5690	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	106.8883	0.825	3	107.9043	4.582	4	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	110.9520	0.000	1	107.9043	4.582	4	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	112.9620	0.000	1	112.9620	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	107.0770	0.000	1	107.0770	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2C)	108.0850	0.000	1	108.0850	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	105.7430	0.000	1	105.7430	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	110.3050	0.000	1	110.3050	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H)	C[6](C[6]C[6a]2C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6a]2C[6])(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,5|C<3>}	H(C[6]C[6]2C)	107.1620	0.000	1	107.1620	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5]CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5]CC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2C)	105.4155	0.035	2	105.4155	0.001	2	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	105.3730	0.000	1	105.3730	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2C)	106.1120	0.485	2	106.1120	0.235	2	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	106.5920	0.000	1	106.5920	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]2H)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2C)	109.1580	0.000	1	109.1580	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	106.2710	0.000	1	106.2710	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2C)	105.5530	0.000	1	107.5013	0.724	9	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	107.7449	0.466	8	107.5013	0.724	9	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	108.0615	0.272	2	108.0615	0.074	2	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2C)	107.4540	0.000	1	107.4540	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	108.0220	0.000	1	107.7255	0.176	2	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	107.4290	0.000	1	107.7255	0.176	2	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	107.1997	1.425	4	107.1997	2.031	4	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	107.3010	0.000	1	107.3010	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HO)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	108.0910	0.000	1	108.0910	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2C)	108.4520	0.000	1	108.4520	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	107.6020	0.000	1	107.7073	0.057	3	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2C)	107.9810	0.000	1	107.7073	0.057	3	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	107.5390	0.000	1	107.7073	0.057	3	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H){1|H<1>,4|C<4>}	C[6](C[6]C[6]CH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	107.9940	0.224	3	107.9940	0.050	3	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]Ru)(CHHP)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]Ru)(CHHP)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Ru<5>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	105.9850	0.160	2	105.9850	0.026	2	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<3>,1|S<2>,1|S<4>}	H(C[6]C[6]2C)	107.9780	0.000	1	107.9780	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]N)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]N)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2C)	110.2300	0.000	1	110.2300	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCCH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	105.2960	0.000	1	105.2960	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6]2C)	105.0480	0.000	1	105.7007	0.463	3	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)2(H)2{1|N<3>,2|O<1>}	H(C[6]C[6]2C)	106.0270	0.536	2	105.7007	0.463	3	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHS)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHS)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2C)	107.7100	0.000	1	107.7100	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)(H){1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HS)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2C)	108.9350	0.000	1	108.9350	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]S)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]S)(CC[6a]CH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,1|S<1>,2|H<1>}	H(C[6]C[6]2C)	108.3160	0.000	1	108.3160	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCCH)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCCH)(H){1|Br<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	106.2790	0.000	1	106.2790	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCHO)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	110.5640	0.000	1	110.5640	0.000	1	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CH3)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	106.6035	0.172	2	106.6035	0.030	2	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CH3)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	106.7303	0.851	3	106.7303	0.724	3	107.4065	1.673	140	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[6]HI)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)(I)	H(C[6]C[6]2C)	C[6](C[6]C[6]HI)(C[6]C[6]O)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)(I){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	105.6160	0.000	1	105.6160	0.000	1	105.6160	0.000	1	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(C[6]C[6]F)(CHHN)(H)	C[6](C[6]C[6]CH)(S[6]C[6]OO)(H)2	H(C[6]C[6]2C)	C[6](C[6]S[6]HH)(C[6]C[6]F)(CHHN)(H){1|C<4>,1|H<1>,2|O<1>}	C[6](C[6]C[6]CH)(S[6]C[6]OO)(H)2{1|C<3>,1|F<1>,2|H<1>}	H(C[6]C[6]2C)	106.7750	0.000	1	106.7750	0.000	1	106.7750	0.000	1	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]N[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6,6]HH)(C[6]C[6]N[6])(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2{1|C<3>,1|N<3>,4|C<4>,4|H<1>}	H(C[6]C[6]3)	107.0483	0.227	3	107.0483	0.051	3	107.0483	0.051	3	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]N[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]2H)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6,6]HH)(C[6]C[6]N[6])(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]2H)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[6]3)	107.1970	0.226	2	107.1970	0.051	2	107.1970	0.051	2	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(PC[6]2Ni)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)(C[6]C[6]H)(PC[6]2Ni)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2P)	108.2360	0.000	1	108.2360	0.000	1	105.4876	14.690	5	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(PC[6]2Pt)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)(C[6]C[6]H)(PC[6]2Pt)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2P)	109.9330	0.000	1	109.9330	0.000	1	105.4876	14.690	5	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(PC[6]2Ru)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)(C[6]C[6]H)(PC[6]2Ru)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2P)	102.6815	3.632	2	102.6815	13.194	2	105.4876	14.690	5	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(PC[6a]2S)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)(C[6]C[6]O)(PC[6a]2S)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2P)	103.9060	0.000	1	103.9060	0.000	1	105.4876	14.690	5	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:P-4:H-1:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]P[6]HH)(C[6]C[6]Cl)(PC[6a]2O)(H)	C[6](P[6]C[6a]C[6]O)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]P[6]HH)(C[6]C[6]Cl)(PC[6a]2O)(H){1|C<3>,1|O<1>,2|C<4>}	C[6](P[6]C[6a]C[6]O)(C[6]C[6]HP)(H)2{1|Cl<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2P)	106.9300	0.000	1	106.9300	0.000	1	106.9300	0.000	1	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)(H){1|C<4>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]HS)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2S)	106.9740	0.000	1	106.9740	0.000	1	107.3645	0.104	4	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2S)	107.3400	0.000	1	107.3400	0.000	1	107.3645	0.104	4	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]N[6]O)(SC[6a]OO)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2S)	107.7640	0.000	1	107.7640	0.000	1	107.3645	0.104	4	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(SC[6a]OO)(H)	C[6](C[6]C[6]HO)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]N[6]O)(SC[6a]OO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]HS)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2S)	107.3800	0.000	1	107.3800	0.000	1	107.3645	0.104	4	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:Si-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(SiC3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SiH)(H)2	H(C[6]C[6]2Si)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(SiC3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SiH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2Si)	106.9860	0.000	1	106.9860	0.000	1	106.9860	0.000	1	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[3x6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6a]C[6]H)(H)2{1|N<3>,2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.3735	0.476	2	107.3735	0.226	2	107.3735	0.226	2	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6a]C[6]H)(H)2{1|N<2>,1|N<3>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	110.2920	0.000	1	110.2920	0.000	1	107.8894	3.084	8	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6a]C[6]H)(H)2{1|N<2>,2|C<4>,2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	106.6250	0.000	1	106.6250	0.000	1	107.8894	3.084	8	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6](C[5,6]N[5,6]O[5]C)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]O[5]C)(C[6]C[6a]C[6]H)(H)2{1|N<3>,2|C<4>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.6800	0.000	1	106.6800	0.000	1	107.8894	3.084	8	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.8830	0.139	2	106.8830	0.019	2	107.8894	3.084	8	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.7540	0.000	1	107.7540	0.000	1	107.8894	3.084	8	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5]2N[6])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]2N[6])(C[6]C[6a]C[6]H)(H)2{1|S<4>,2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6a]C[6]2)	106.9710	0.000	1	106.9710	0.000	1	107.8894	3.084	8	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[5,6]N[5,6]C[6a]N[5])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[6](C[5,6]N[5,6]C[6a]N[5])(C[6]C[6a]C[6]H)(H)2{1|N<3>,2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	111.0270	0.000	1	111.0270	0.000	1	107.8894	3.084	8	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6,6]N[6,6]O[6]C)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]O[6]C)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.7320	0.000	1	107.7320	0.000	1	107.7482	0.388	12	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|Br<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6a]C[6]H)(H)2{1|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	108.3590	0.000	1	108.3590	0.000	1	107.7482	0.388	12	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.9690	0.000	1	107.9690	0.000	1	107.7482	0.388	12	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.3620	0.000	1	107.3620	0.000	1	107.7482	0.388	12	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6a]C[6]H)(H)2{1|N<3>,2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.4640	1.110	2	108.4640	1.232	2	107.7482	0.388	12	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.1580	0.000	1	107.1580	0.000	1	107.7482	0.388	12	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|N<3>,1|S<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.1460	0.000	1	107.4112	0.211	4	107.7482	0.388	12	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.1380	0.000	1	107.4112	0.211	4	107.7482	0.388	12	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|N<3>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.6805	0.585	2	107.4112	0.211	4	107.7482	0.388	12	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.8260	0.000	1	107.8260	0.000	1	107.7482	0.388	12	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(Br)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(Br)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	106.1125	0.243	2	106.1125	0.059	2	106.1125	0.059	2	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(C[6]C[6]HW)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(C[6]C[6]HW)(H){2|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(Cl)(H){1|C<4>,1|H<1>,1|N<3>,1|W<7>,2|C<3>}	H(C[6]C[6a]C[6]2)	105.8780	0.000	1	105.8780	0.000	1	105.8780	0.000	1	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[4x6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[3x6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[4x6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.3795	0.466	2	107.3795	0.217	2	107.2910	0.608	44	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,4|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.4390	0.000	1	107.4390	0.000	1	107.2910	0.608	44	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.8505	0.115	2	106.8505	0.013	2	107.2910	0.608	44	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	106.9640	0.000	1	106.9640	0.000	1	107.2910	0.608	44	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,4|C<3>,4|H<1>}	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.7150	0.000	1	107.7150	0.000	1	107.2910	0.608	44	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HO)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|P<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.4620	0.000	1	107.4620	0.000	1	107.2910	0.608	44	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HO)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.0365	0.306	2	107.0365	0.094	2	107.2910	0.608	44	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(H)2{2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	107.9910	0.000	1	107.9910	0.000	1	107.2910	0.608	44	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.2235	0.028	2	107.2235	0.001	2	107.2910	0.608	44	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HS)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|S<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HS)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.9260	0.000	1	107.9260	0.000	1	107.2910	0.608	44	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]CH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]CH)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.4280	0.000	1	107.4280	0.000	1	107.2910	0.608	44	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HO)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HO)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.8980	0.000	1	107.8980	0.000	1	107.2910	0.608	44	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]CH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]CH)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.4500	0.232	2	107.4500	0.054	2	107.2910	0.608	44	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.4110	0.000	1	107.4110	0.000	1	107.2910	0.608	44	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.9900	0.133	2	106.7783	4.413	3	107.2910	0.608	44	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	104.3550	0.000	1	106.7783	4.413	3	107.2910	0.608	44	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6a]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6a]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.9975	0.112	2	107.9975	0.013	2	107.2910	0.608	44	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]N[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.3340	0.000	1	108.3340	0.000	1	107.2910	0.608	44	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(H)2{1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.0915	0.217	2	106.0915	0.047	2	107.2910	0.608	44	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FeH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FeH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6]FeH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FeH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6a]C[6]2)	106.8120	0.417	2	106.8120	0.174	2	107.2910	0.608	44	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|Se<2>,1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.3400	0.000	1	106.3400	0.000	1	107.2910	0.608	44	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.4280	0.151	2	107.2496	0.679	5	107.2910	0.608	44	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,5|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	105.8410	0.000	1	107.2496	0.679	5	107.2910	0.608	44	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){5|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.7755	0.302	2	107.2496	0.679	5	107.2910	0.608	44	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2{2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.6790	0.000	1	107.6790	0.000	1	107.2910	0.608	44	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5a]O[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[5a]O[6]H)(H)2{1|H<1>,1|N<2>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.6420	0.000	1	107.6420	0.000	1	107.2910	0.608	44	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.7930	0.000	1	107.7930	0.000	1	107.2910	0.608	44	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.6690	1.245	3	107.6690	1.551	3	107.2910	0.608	44	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5]O[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]N[5]O[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.5990	0.000	1	106.5990	0.000	1	107.2910	0.608	44	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CO)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CO)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.2650	0.000	1	107.2650	0.000	1	107.2910	0.608	44	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]CC)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CC)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]N[6,6]CC)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CC)(H)2{1|H<1>,1|N<3>,2|C<2>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.6460	0.000	1	107.6460	0.000	1	107.2910	0.608	44	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:N[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6]CC)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2{2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	109.9430	0.000	1	109.9430	0.000	1	109.9430	0.000	1	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(N[5a]C[5a]2)(C[6]C[6]HH)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[5a]C[6]2)	C[6](C[6]C[6]N[5]H)(N[5a]C[5a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]N[5a]C[6]2)	107.3520	0.000	1	107.3520	0.000	1	107.1612	0.034	5	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(N[5a]C[5a]2)(C[6]C[6]HH)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[5a]C[6]2)	C[6](C[6]N[5a]C[6]H)(N[5a]C[5a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]N[5a]C[6]2)	107.1143	0.212	3	107.1143	0.045	3	107.1612	0.034	5	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6a]C[6]H)(N[5a]C[5a]2)(C[6]C[6]HH)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[5a]C[6]2)	C[6](C[6]N[6a]C[6]H)(N[5a]C[5a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]N[5a]C[6]2)	107.1110	0.000	1	107.1110	0.000	1	107.1612	0.034	5	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(N[6]C[6]H)(CHHO)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[3,6]HH)(N[6]C[6]H)(CHHO)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]CH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]C)	108.1530	0.313	2	108.1530	0.098	2	108.1530	0.098	2	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[4,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]ClH)(N[6]C[6]C)(CCCH)(H)	C[6](C[4,6]C[4,6]N[4]H)(C[6]N[6]CH)(Cl)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[4,6]ClH)(N[6]C[6]C)(CCCH)(H){1|C<4>,1|H<1>,1|N<4>,1|O<1>}	C[6](C[4,6]C[4,6]N[4]H)(C[6]N[6]CH)(Cl)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]C)	106.0930	0.000	1	106.0930	0.000	1	106.0930	0.000	1	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6,6a]H)(CH3)(H)	C[6](C[5,6]C[5,6a]C[6,6a]N[5])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[5,6]HH)(N[6]C[6,6a]H)(CH3)(H){1|N<3>,3|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]N[5])(C[6]N[6]CH)(H)2{2|H<1>,5|C<3>}	H(C[6]C[6]N[6]C)	109.1815	0.333	2	109.1815	0.111	2	107.8302	1.598	5	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CCHH)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CCHH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]C)	107.1290	0.000	1	107.1290	0.000	1	107.8302	1.598	5	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]C)	107.0900	0.000	1	107.0900	0.000	1	107.8302	1.598	5	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(CCHH)(H)	C[6](C[5,6]C[6]S[5]2)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,2|S<2>}	C[6](C[5,6]C[6]S[5]2)(C[6]N[6]CH)(H)2{1|S<4>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]C)	106.5690	0.000	1	106.5690	0.000	1	107.8302	1.598	5	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[5,6]H)(CC[6a]HH)(H)	C[6](C[6,6]N[5,6,6]C[6]H)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6]HH)(N[6]C[5,6]H)(CC[6a]HH)(H){1|C<4>,1|H<1>,2|N<3>}	C[6](C[6,6]N[5,6,6]C[6]H)(C[6]N[6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	108.8950	0.000	1	108.8950	0.000	1	108.0680	1.368	2	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]CH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	107.2410	0.000	1	107.2410	0.000	1	108.0680	1.368	2	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(Br)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(Br)(H){1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]N[6]C)	108.1475	0.107	2	108.1475	0.011	2	108.4960	0.370	3	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]N[6]CH)(C[6]O[6]HH)(Br)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCHH)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]O[6]HH)(Br)(H){1|C<3>,1|S<4>}	H(C[6]C[6]N[6]C)	109.1930	0.000	1	109.1930	0.000	1	108.4960	0.370	3	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)(N[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(F)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]FF)(N[6]C[6]H)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(F)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]C)	104.4360	0.899	2	104.4360	0.809	2	104.4360	0.809	2	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(N[6]C[6]H)(CC[6a]CH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(F)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]FH)(N[6]C[6]H)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(F)(H){1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	108.3370	0.000	1	108.3370	0.000	1	108.3370	0.000	1	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]2)(CH3)(H){1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2{3|C<4>}	H(C[6]C[6]N[6]C)	108.5750	0.000	1	108.5750	0.000	1	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	106.9660	0.000	1	106.9660	0.000	1	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCCH)(H)	C[6](C[6]N[6]CH)(C[6]O[6]CC)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCCH)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]N[6]CH)(C[6]O[6]CC)(H)2{2|C<3>}	H(C[6]C[6]N[6]C)	105.5637	0.701	3	105.5637	0.491	3	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	106.5445	0.777	2	106.5445	0.604	2	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]C)	107.4020	0.000	1	106.8497	0.225	7	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]C)	106.6280	0.000	1	106.8497	0.225	7	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.0860	0.000	2	106.8497	0.225	7	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.0290	0.000	1	106.8497	0.225	7	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6]C)	106.7880	0.000	1	106.8497	0.225	7	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	105.9290	0.000	1	106.8497	0.225	7	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	108.9210	0.000	1	108.9210	0.000	1	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	108.9940	0.000	1	108.9940	0.000	1	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHO)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	108.2680	0.000	1	108.2680	0.000	1	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[5]CO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[5]CO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	104.4250	0.000	1	104.4250	0.000	1	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.6150	0.764	4	107.6150	0.583	4	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H)	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]N[6]C)	106.5470	0.000	1	106.5470	0.000	1	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CClHH)(H)	C[6](C[6]C[6a]C[6]C)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CClHH)(H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]N[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.7750	0.000	1	107.7750	0.000	1	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CFeCH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CFeCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	108.8930	0.000	1	108.8930	0.000	1	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CO)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	106.5160	0.000	1	106.5160	0.000	1	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.0953	0.375	3	107.1413	0.444	26	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	109.6760	0.000	1	107.1413	0.444	26	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6]C)	107.8360	0.000	1	107.1413	0.444	26	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.6280	0.000	1	107.1413	0.444	26	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]N[6]C)	107.9700	0.000	1	107.1413	0.444	26	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.9290	0.000	1	107.1413	0.444	26	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	106.8223	0.259	12	107.1413	0.444	26	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	106.9137	0.134	6	107.1413	0.444	26	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]N[6]C)	106.4090	0.000	1	106.4090	0.000	1	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CHHN)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	108.3925	0.330	2	108.3925	0.109	2	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CN[5]HH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CN[5]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.6930	0.000	1	107.6930	0.000	1	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CN[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CN[6]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	108.4500	0.000	1	108.4500	0.000	1	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC3)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	107.7250	0.000	1	107.7250	0.000	1	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCCH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	107.4860	0.000	1	107.4860	0.000	1	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	105.5990	0.000	1	105.5990	0.000	1	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	108.1390	0.164	2	108.7308	0.320	5	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]C)	108.8850	0.000	1	108.7308	0.320	5	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	109.2455	0.026	2	108.7308	0.320	5	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H)	C[6](C[6]N[6]CH)(C[6]O[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]N[6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]N[6]C)	108.0170	0.000	1	108.0170	0.000	1	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHO)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	106.8360	0.000	1	107.7410	1.638	2	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	108.6460	0.000	1	107.7410	1.638	2	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHO)(H)	C[6](C[6]N[6]CH)(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHO)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]N[6]C)	108.5700	0.000	1	108.5700	0.000	1	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[5]CO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[5]CO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	107.0520	0.000	1	107.0520	0.000	1	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	108.7340	0.000	1	108.7340	0.000	1	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]HO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]HO)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	109.3763	0.333	3	108.6348	1.087	5	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]HO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]HO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	107.5225	0.059	2	108.6348	1.087	5	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCl3)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCl3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	107.8245	0.008	2	107.8245	0.000	2	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]N[6]C)	108.5870	0.000	1	108.5870	0.000	1	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]C)	110.6580	0.000	1	108.8545	1.480	4	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]C)	108.0230	0.000	1	108.8545	1.480	4	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	108.3685	0.151	2	108.8545	1.480	4	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CHHO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CHHO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	108.3240	0.102	2	108.3240	0.010	2	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]P)(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]P)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|P<3>,2|H<1>}	H(C[6]C[6]N[6]C)	107.3920	0.000	1	107.3920	0.000	1	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|P<3>,2|H<1>}	H(C[6]C[6]N[6]C)	108.6030	0.000	1	108.6030	0.000	1	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CBrCH)(H)	C[6](C[6]N[6]CH)(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CBrCH)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]O[6]HH)(H)2{1|C<3>,1|S<4>}	H(C[6]C[6]N[6]C)	107.1470	0.400	2	107.1470	0.160	2	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]C)	110.3740	0.000	1	110.3740	0.000	1	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCCH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCCH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6]C)	107.1945	0.148	2	107.1945	0.022	2	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.4480	0.000	1	107.4480	0.000	1	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	H(C[6]C[6]N[6]C)	107.5200	0.000	1	107.5673	0.171	4	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]N[6]C)	107.5190	0.000	1	107.5673	0.171	4	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|S<4>,3|C<4>}	H(C[6]C[6]N[6]C)	108.1170	0.000	1	107.5673	0.171	4	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.1130	0.000	1	107.5673	0.171	4	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]C[6]HI)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H){1|C<4>,1|I<1>,3|H<1>}	C[6](C[6]C[6]HI)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]C)	103.7870	0.000	1	103.7870	0.000	1	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.2500	0.000	1	107.6010	0.246	2	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Si<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6]C)	107.9520	0.000	1	107.6010	0.246	2	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6]C)	107.5040	0.000	1	107.5040	0.000	1	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	H(C[6]C[6]N[6]C)	106.8850	0.000	1	107.4787	0.159	9	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.2692	0.123	4	107.4787	0.159	9	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	H(C[6]C[6]N[6]C)	107.7230	0.127	3	107.4787	0.159	9	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6]C)	108.1770	0.000	1	107.4787	0.159	9	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6]C)	107.5950	0.315	2	107.5950	0.099	2	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]C)	108.4020	0.000	1	108.4020	0.000	1	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]C)	106.1460	0.040	2	106.8748	0.715	4	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.7040	0.000	1	106.8748	0.715	4	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.5030	0.000	1	106.8748	0.715	4	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]N[6]H)(CH3)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]N[6]H)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]C)	108.2970	0.000	1	108.2970	0.000	1	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]N[6]S)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]N[6]S)(CC[6a]HH)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|N<2>,1|S<4>}	H(C[6]C[6]N[6]C)	108.3800	0.000	1	108.3800	0.000	1	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]S[6]C)(CH3)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]S[6]C)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CH)(H)2{1|S<4>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]C)	107.8230	0.000	1	107.8230	0.000	1	107.5253	1.122	120	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]N[6]C)	108.5990	0.000	1	108.5990	0.000	1	108.8485	0.125	2	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	109.0980	0.000	1	109.0980	0.000	1	108.8485	0.125	2	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(N[6]B[6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]N[6]H)(N[6]B[6]C[6])(C[6]C[6]HH)(H){1|B<4>,1|C<4>,1|O<2>,2|C<3>,2|F<1>,5|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N[6])	107.7650	0.516	2	107.7650	0.266	2	108.3563	0.556	4	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]N[6]H)(H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]N[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	H(C[6]C[6]2N[6])	108.9475	0.067	2	108.9475	0.005	2	108.3563	0.556	4	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(N[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[6a]C[6]2)	C[6](C[6]C[6]N[5]H)(N[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]N[6a]C[6]2)	106.1870	0.000	1	106.1870	0.000	1	106.6525	0.794	10	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(N[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[6a]C[6]2)	C[6](C[6]C[6]N[6]H)(N[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]N[6a]C[6]2)	106.6391	0.971	8	106.6391	0.943	8	106.6525	0.794	10	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:N[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(N[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[6a]C[6]2)	C[6](C[6]N[5a]C[6]H)(N[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]N[6a]C[6]2)	107.2250	0.000	1	107.2250	0.000	1	106.6525	0.794	10	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6]Re)(CH3)(H)	C[6](C[6]O[6]CH)2(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6]Re)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]O[6]CH)2(H)2{1|Re<6>,1|C<4>}	H(C[6]C[6]O[6]C)	108.8150	0.000	1	108.8150	0.000	1	108.8150	0.000	1	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:S[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6]O)(CH3)(H)	C[6](C[6]S[6]CH)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]C)	C[6](C[6]C[6]HH)(S[6]C[6]O)(CH3)(H){1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]S[6]CH)(C[6]S[6]HH)(H)2{1|C<4>,1|O<1>}	H(C[6]C[6]S[6]C)	108.6810	0.000	1	108.6810	0.000	1	108.5303	0.064	3	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:S[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6]O)(CH3)(H)	C[6](C[6]S[6]CH)2(H)2	H(C[6]C[6]S[6]C)	C[6](C[6]C[6]HH)(S[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[6](C[6]S[6]CH)2(H)2{1|C<3>,1|O<1>}	H(C[6]C[6]S[6]C)	108.4550	0.305	2	108.4550	0.093	2	108.5303	0.064	3	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	N[6,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[5a]C[5a]2)(C[6]C[6]HH)(H)	C[6](C[6]N[6,6]C[5a]H)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[5a]C[6])	C[6](N[6,6]C[6,6]C[6]H)(C[5a]C[5a]2)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[6]N[6,6]C[5a]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]N[6,6]C[5a]C[6])	107.9575	0.459	2	107.9575	0.211	2	107.9575	0.211	2	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	N[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]HO)(H)2	H(C[6]N[6,6]C[6a]C[6])	C[6](N[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]N[6,6]C[6a]C[6])	109.4120	0.000	1	109.4120	0.000	1	109.4120	0.000	1	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	N[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.0040	0.000	1	108.0040	0.000	1	108.1017	0.133	7	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	N[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CuC)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]OO)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6]CuC)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>,3|O<2>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]OO)(H)2{1|Cu<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	108.2730	0.293	4	108.2730	0.086	4	108.1017	0.133	7	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	N[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.8080	0.489	2	107.8080	0.239	2	108.1017	0.133	7	107.3815	1.376	502	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(OSi)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	108.1700	0.000	1	108.1700	0.000	1	108.1700	0.000	1	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HH)(OSi)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,3|O<2>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HH)(OSi)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	105.9380	0.000	1	105.9380	0.000	1	105.9380	0.000	1	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(CHHO)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]CH)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(CHHO)(H){2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]CH)(OC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.3450	0.000	1	108.3450	0.000	1	108.3450	0.000	1	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CCHH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CCHH)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	109.2560	0.000	1	109.2560	0.000	1	108.3195	1.754	2	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]2C)	107.3830	0.000	1	107.3830	0.000	1	108.3195	1.754	2	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6])(H)	H(C[6]C[6]2C)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6])(H){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2C)	107.9170	0.000	1	107.9170	0.000	1	107.9170	0.000	1	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2C)	107.1690	0.000	1	107.1690	0.000	1	107.1690	0.000	1	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]2)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]C[6]2)(CCHO)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.2385	0.320	4	106.2385	0.102	4	107.0568	0.701	23	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.8560	0.000	1	107.8560	0.000	1	107.0568	0.701	23	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2C)	107.1640	0.214	2	107.1640	0.046	2	107.0568	0.701	23	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(OH)(H){3|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.0800	0.000	1	107.0800	0.000	1	107.0568	0.701	23	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]FH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H){1|C<4>,1|F<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]FH)(OH)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2C)	107.5240	0.000	1	107.5240	0.000	1	107.0568	0.701	23	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC[6])(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC[6])(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	109.8130	0.000	1	109.8130	0.000	1	107.0568	0.701	23	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	107.6920	0.000	1	107.6920	0.000	1	107.0568	0.701	23	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]C[6]O)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2C)	106.8810	0.000	1	106.8810	0.000	1	107.0568	0.701	23	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2C)	107.5580	0.000	1	107.5580	0.000	1	107.0568	0.701	23	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2C)	106.4200	0.000	1	106.4200	0.000	1	107.0568	0.701	23	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|Cl<1>,1|C<3>,1|O<1>}	H(C[6]C[6]2C)	107.0300	0.308	2	107.0300	0.095	2	107.0568	0.701	23	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]O)(CH3)(H)	C[6](C[6]C[6]CH)2(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]O[6]O)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	106.2500	0.000	1	106.8771	0.418	7	107.0568	0.701	23	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]O)(CH3)(H)	C[6](C[6]C[6]CH)2(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]O[6]O)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	106.9817	0.640	6	106.8771	0.418	7	107.0568	0.701	23	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(O[6]C[6])(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]O[6]H)(C[6]C[6]O)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.3580	0.000	1	108.3580	0.000	1	108.3580	0.000	1	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(OH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HO)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(OH)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.1037	0.233	3	107.1037	0.054	3	107.1037	0.054	3	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]N[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.0970	0.000	1	107.0970	0.000	1	107.0970	0.000	1	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:Se-2:H-1:	C[6]-4:	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SeC[6a])(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SeC[6a])(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.2940	0.000	1	106.2940	0.000	1	106.2940	0.000	1	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(N[6]C[6]C)(CClHH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]CH)(OC)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[3,6]HO)(N[6]C[6]C)(CClHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]CH)(OC)(H){1|H<1>,2|C<4>}	H(C[6]C[6]N[6]C)	108.2805	0.811	2	108.2805	0.658	2	108.2805	0.658	2	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HO)(N[6]C[6]C)(CH3)(H)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]N[6]CH)(OSi)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[5,5,6,6]HO)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]N[6]CH)(OSi)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]C)	106.9090	0.000	1	106.9090	0.000	1	106.9090	0.000	1	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(N[6]C[6]H)(CH3)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[5,6]HO)(N[6]C[6]H)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.6520	0.000	1	107.6520	0.000	1	106.3620	1.800	3	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(N[6]C[6]H)(CHHO)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[5,6]HO)(N[6]C[6]H)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]N[6]C)	105.7170	1.051	2	105.7170	1.104	2	106.3620	1.800	3	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HS)(N[6]C[6]H)(CH3)(H)	C[6](C[6,6]C[6]2O[6])(C[6]N[6]CH)(SC[6a])(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6]HS)(N[6]C[6]H)(CH3)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6]2O[6])(C[6]N[6]CH)(SC[6a])(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]N[6]C)	107.6170	0.291	2	107.6170	0.085	2	107.6170	0.085	2	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.2950	0.000	1	107.2950	0.000	1	108.0892	1.312	24	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.9980	0.000	1	107.9980	0.000	1	108.0892	1.312	24	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<3>,1|C<4>,1|S<4>}	H(C[6]C[6]N[6]C)	109.9240	0.000	1	109.9240	0.000	1	108.0892	1.312	24	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.3600	0.000	1	107.3600	0.000	1	108.0892	1.312	24	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H){1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]N[6]C)	108.4600	1.365	2	108.4458	0.724	5	108.0892	1.312	24	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]N[6]C)	108.4363	0.719	3	108.4458	0.724	5	108.0892	1.312	24	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]N[6]C)	108.6210	0.000	1	108.6210	0.000	1	108.0892	1.312	24	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	108.9500	0.000	1	108.9420	0.000	2	108.0892	1.312	24	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	108.9340	0.000	1	108.9420	0.000	2	108.0892	1.312	24	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]C)	105.8245	0.858	2	105.8245	0.736	2	108.0892	1.312	24	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHO)(H)	C[6](C[6]N[6]CH)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]N[6]CH)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>}	H(C[6]C[6]N[6]C)	106.7370	0.000	1	106.7370	0.000	1	108.0892	1.312	24	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	107.7160	0.000	1	107.7160	0.000	1	108.0892	1.312	24	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]H)(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]C)	110.3320	0.000	1	110.3320	0.000	1	108.0892	1.312	24	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]O)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]C)	107.8830	0.000	1	107.8830	0.000	1	108.0892	1.312	24	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]S)(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]S)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]N[6]C)	107.6855	0.186	2	107.6855	0.035	2	108.0892	1.312	24	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]S)(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OSi)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]S)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	H(C[6]C[6]N[6]C)	107.1510	0.000	1	107.1510	0.000	1	108.0892	1.312	24	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]N[6]C)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]N[6]C)(CCHH)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){1|N<2>,2|C<3>}	H(C[6]C[6]N[6]C)	108.8130	0.000	1	108.8130	0.000	1	108.0892	1.312	24	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]S[6]H)(CHHO)(H)	C[6](C[6]N[6]CH)(C[6]O[6]HH)(OC)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]S[6]H)(CHHO)(H){1|O<2>,2|H<1>,2|O<1>}	C[6](C[6]N[6]CH)(C[6]O[6]HH)(OC)(H){1|H<1>,1|S<4>}	H(C[6]C[6]N[6]C)	108.5890	0.284	2	108.5890	0.081	2	108.0892	1.312	24	107.5217	1.167	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[5]HH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CN)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[5]HH)(H){2|C<2>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CN)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	103.9520	0.000	1	103.9520	0.000	1	105.6670	5.882	2	106.0740	3.438	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CN)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)(H){1|C<4>,1|H<1>,2|C<2>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CN)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.3820	0.000	1	107.3820	0.000	1	105.6670	5.882	2	106.0740	3.438	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:2:2:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(CN)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CC)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(CN)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.8880	0.000	1	106.8880	0.000	1	106.8880	0.000	1	106.0740	3.438	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[3,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[3,6]C[6a]H)(C[6]C[5,6]HH)(COO)(H)	H(C[6]C[3,6]C[6a]C[6])	C[6](C[3,6]C[3,6]O[3]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[3,6]C[6a]H)(C[6]C[5,6]HH)(COO)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[3,6]C[6a]C[6])	106.6910	0.000	1	106.6910	0.000	1	106.6910	0.000	1	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	H(C[6]C[5,6]C[6a]C[6])	105.7860	0.048	3	105.1140	1.488	6	106.2086	1.646	14	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	H(C[6]C[5,6]C[6a]C[6])	103.9550	1.817	2	105.1140	1.488	6	106.2086	1.646	14	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H){1|H<1>,2|C<4>,6|C<3>}	H(C[6]C[5,6]C[6a]C[6])	105.4160	0.000	1	105.1140	1.488	6	106.2086	1.646	14	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5]C[6]H)(NOO)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5]C[6]H)(NOO)(H){1|Fe<10>,1|H<1>,4|C<3>,4|C<4>}	H(C[6]C[5,6]C[6a]C[6])	106.4430	0.000	1	106.4430	0.000	1	106.2086	1.646	14	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|O<2>,2|O<1>,4|C<3>,5|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.9570	0.157	2	106.9830	0.014	3	106.2086	1.646	14	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	107.0350	0.000	1	106.9830	0.014	3	106.2086	1.646	14	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,1|N<3>,2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H){2|H<1>,7|C<3>}	H(C[6]C[5,6]C[6a]C[6])	107.0890	0.768	2	107.0890	0.590	2	106.2086	1.646	14	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]CH)(NOO)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,2|N<3>,2|O<1>,3|C<3>,5|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]CH)(NOO)(H){2|C<4>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	107.0070	0.000	1	107.0070	0.000	1	106.2086	1.646	14	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]CH)(NOO)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]N[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]CH)(NOO)(H){1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	107.6590	0.000	1	107.6590	0.000	1	106.2086	1.646	14	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H)	C[6](C[6]C[6,6]C[5a]H)(C[6]C[6,6]HO)(NOO)(H)	H(C[6]C[6,6]C[5a]C[6])	C[6](C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C[5a]H)(C[6]C[6,6]HO)(NOO)(H){2|C<3>,2|H<1>,3|O<2>}	H(C[6]C[6,6]C[5a]C[6])	108.2300	0.000	1	108.2300	0.000	1	108.2300	0.000	1	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CH)(CHO)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){3|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CH)(CHO)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.3425	0.467	2	107.3425	0.218	2	107.1227	0.334	4	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(CHO)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(CHO)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.4470	0.000	1	107.4470	0.000	1	107.1227	0.334	4	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(COO)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,2|N<3>,2|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(COO)(H){1|C<4>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.3590	0.000	1	106.3590	0.000	1	107.1227	0.334	4	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]2H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(NOO)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.5667	0.212	3	107.5667	0.045	3	107.3194	1.087	5	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(NOO)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]C[6])	108.3270	0.000	1	108.3270	0.000	1	107.3194	1.087	5	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	105.5700	0.000	1	105.5700	0.000	1	107.3194	1.087	5	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]Br)(CHHO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]Br)(CHHO)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH)(H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2C)	107.6480	0.000	1	107.7775	0.034	2	107.5963	0.115	3	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]Br)(CHHO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]Br)(CHHO)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH)(H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.9070	0.000	1	107.7775	0.034	2	107.5963	0.115	3	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(CCHH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(CCHH)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6]H)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.2340	0.000	1	107.2340	0.000	1	107.5963	0.115	3	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(CH3)(H)	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]CH)(N[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(CH3)(H){1|O<2>,2|C<3>,3|C<4>}	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	H(C[6]C[6]2C)	106.7900	2.090	2	106.7900	4.369	2	106.7900	4.369	2	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHN)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHN)(H){1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6]2C)	106.8590	0.000	1	106.8590	0.000	1	107.7387	12.224	12	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CN[5]O)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CCCH)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CN[5]O)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2C)	106.2790	0.000	1	106.2790	0.000	1	107.7387	12.224	12	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.3120	0.000	2	107.3120	0.000	2	107.7387	12.224	12	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.3993	5.064	6	108.1377	18.560	8	107.7387	12.224	12	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2C)	107.3530	0.255	2	108.1377	18.560	8	107.7387	12.224	12	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:B[5]-3:H-1:	C[6]-4:	C[6](C[6]B[5]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(B[5]O[5]2)(H)	H(C[6]C[6]2C)	C[6](C[6]B[5]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H){1|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(B[5]O[5]2)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.3918	1.409	5	107.3918	1.987	5	107.1818	1.854	6	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:B[5]-3:H-1:	C[6]-4:	C[6](C[6]B[5]C[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(B[5]O[5]2)(H)	H(C[6]C[6]2C)	C[6](C[6]B[5]C[6]H)(C[6]C[6]O)(CH3)(H){1|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(B[5]O[5]2)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[6]2C)	106.1320	0.000	1	106.1320	0.000	1	107.1818	1.854	6	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H){2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCC)(H){1|C<3>,1|C<4>}	H(C[6]C[6]2C)	105.9890	0.000	1	105.9890	0.000	1	107.2140	1.157	21	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)2(CCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.4740	0.000	1	106.4740	0.000	1	107.2140	1.157	21	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)2(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(COO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	105.5420	0.000	1	105.5420	0.000	1	107.2140	1.157	21	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6]HH)(H){2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCH)(H){2|C<3>}	H(C[6]C[6]2C)	107.7310	0.051	2	107.7310	0.003	2	107.2140	1.157	21	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6a]HH)(H){2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCH)(H){2|C<3>}	H(C[6]C[6]2C)	107.8210	0.000	1	107.8210	0.000	1	107.2140	1.157	21	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CH)2(CC[6a]O)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)2(CC[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	105.4960	0.000	1	105.4960	0.000	1	107.2140	1.157	21	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCCH)(H)	C[6](C[6]C[6]CH)2(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCCH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(COO)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2C)	106.7250	1.271	2	106.7250	1.616	2	107.2140	1.157	21	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6]HH)(H)	C[6](C[6]C[6]CH)2(CCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6]HH)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)2(CCH)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2C)	106.5540	0.000	1	106.5540	0.000	1	107.2140	1.157	21	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)2(CCO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)2(CCO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.5200	0.000	1	107.5200	0.000	1	107.2140	1.157	21	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)2(CNO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(CNO)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.5050	0.000	1	107.5050	0.000	1	107.2140	1.157	21	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)2(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(COO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.4810	0.000	1	108.2848	0.170	5	107.2140	1.157	21	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)2(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(COO)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.2357	0.459	4	108.2848	0.170	5	107.2140	1.157	21	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCCH)(H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCCH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H){1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2C)	106.8650	0.000	1	106.8650	0.000	1	107.2140	1.157	21	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6]HH)(H)	C[6](C[6]C[6]CH)2(CCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6]HH)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)2(CCH)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2C)	108.9870	0.000	1	108.9870	0.000	1	107.2140	1.157	21	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)2(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)2(COO)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2C)	106.2030	0.123	2	106.2030	0.015	2	107.2140	1.157	21	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HN)(C[6]C[6]O)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	107.4070	0.000	1	107.4070	0.000	1	107.4070	0.000	1	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:C[6]-4:C-3:Br-1:	C[6]-4:	C[6](C[6]C[6]BrC)(C[6]C[6]H)(SCOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(COO)(Br)	H(C[6]C[6]2S)	C[6](C[6]C[6]BrC)(C[6]C[6]H)(SCOO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(COO)(Br){1|C<3>,3|H<1>}	H(C[6]C[6]2S)	110.8155	0.977	2	110.8155	0.954	2	110.8155	0.954	2	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(SCOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(COO)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6]CH)(C[6]C[6]H)(SCOO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(COO)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2S)	107.4970	0.000	1	107.4970	0.000	1	107.4970	0.000	1	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(CHO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(CHO)(H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6a]C[6]2)	109.2280	0.000	1	109.2280	0.000	1	109.2280	0.000	1	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]N[5,6]C)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,2|C<2>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]N[5,6]C)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<2>,1|N<2>,3|H<1>,7|C<3>}	H(C[6]C[6a]C[6]2)	107.3760	0.000	1	107.3760	0.000	1	107.3780	0.542	5	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,4|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,5|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	107.4320	0.000	1	107.6985	0.142	2	107.3780	0.542	5	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,4|H<1>,8|C<3>}	H(C[6]C[6a]C[6]2)	107.9650	0.000	1	107.6985	0.142	2	107.3780	0.542	5	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|H<1>,7|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){2|O<1>,4|H<1>,8|C<3>}	H(C[6]C[6a]C[6]2)	107.0585	1.272	2	107.0585	1.618	2	107.3780	0.542	5	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(NOO)(H){3|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.4185	0.114	2	108.4185	0.013	2	108.5257	1.275	10	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.4655	1.447	2	107.4655	2.095	2	108.5257	1.275	10	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5]2O[6])(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[5,6]C[5]2O[6])(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,1|H<1>,2|O<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	108.3050	0.000	1	108.3050	0.000	1	108.5257	1.275	10	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(NOO)(H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6a]C[6]2)	109.5313	0.042	3	109.0368	1.435	5	108.5257	1.275	10	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(NOO)(H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6a]C[6]2)	108.2950	1.976	2	109.0368	1.435	5	108.5257	1.275	10	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(CHO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(CHO)(H){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	105.5730	0.000	1	105.5730	0.000	1	105.5730	0.000	1	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(NOO)(H){3|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.4500	0.000	1	108.4500	0.000	1	107.5469	0.420	7	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H){1|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.9710	0.689	2	106.9710	0.474	2	107.5469	0.420	7	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)(NOO)(H){3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.7560	0.000	1	107.7560	0.000	1	107.5469	0.420	7	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.3225	0.429	2	107.3225	0.184	2	107.5469	0.420	7	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	108.0350	0.000	1	108.0350	0.000	1	107.5469	0.420	7	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6,6]C[6]3)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|S<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6,6]C[6]3)(NOO)(H){2|C<4>,3|C<3>,8|H<1>}	H(C[6]C[6a]C[6]2)	108.0810	0.000	1	108.0810	0.000	1	108.0810	0.000	1	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(CCO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(CCO)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.4620	0.000	1	107.4620	0.000	1	107.3569	1.118	9	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CHO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CHO)(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.4285	0.112	2	108.4285	0.013	2	107.3569	1.118	9	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(CCO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(CCO)(H){2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	105.7790	0.000	1	105.7790	0.000	1	107.3569	1.118	9	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(CHO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(CHO)(H){2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	107.8340	0.000	1	107.6055	0.104	2	107.3569	1.118	9	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(CHO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(CHO)(H){2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	107.3770	0.000	1	107.6055	0.104	2	107.3569	1.118	9	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(CHO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(CHO)(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.4060	0.000	1	108.4060	0.000	1	107.3569	1.118	9	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(CCC)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]CH)(H){4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(CCC)(H){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.6680	0.000	1	106.6680	0.000	1	107.3569	1.118	9	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CNO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,4|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CNO)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	105.8290	0.000	1	105.8290	0.000	1	107.3569	1.118	9	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H){1|H<1>,2|C<4>,6|C<3>}	H(C[6]C[6a]C[6]2)	109.2120	0.000	1	109.2120	0.000	1	107.2747	3.939	16	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	H(C[6]C[6a]C[6]2)	109.5787	0.035	3	109.0688	1.407	5	107.2747	3.939	16	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	H(C[6]C[6a]C[6]2)	108.3040	1.918	2	109.0688	1.407	5	107.2747	3.939	16	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(NOO)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.5070	0.000	1	106.5070	0.000	1	107.2747	3.939	16	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(NOO)(H){1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	105.4250	0.000	1	105.7425	0.202	2	107.2747	3.939	16	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(NOO)(H){1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.0600	0.000	1	105.7425	0.202	2	107.2747	3.939	16	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)(NOO)(H){2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.1370	0.000	1	108.1370	0.000	1	107.2747	3.939	16	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){2|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)2(NOO)(H){1|C<4>,2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	103.5520	0.000	1	103.5520	0.000	1	107.2747	3.939	16	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	105.5860	0.000	1	105.5860	0.000	1	107.2747	3.939	16	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]CH)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]CH)(NOO)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6a]C[6]2)	108.5580	0.000	1	108.5580	0.000	1	107.2747	3.939	16	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(NOO)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.4110	1.788	2	106.0050	2.092	3	107.2747	3.939	16	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(NOO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(NOO)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]2)	105.1930	0.000	1	106.0050	2.092	3	107.2747	3.939	16	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:N[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(N[5a]C[5a]2)(C[6]C[6]HH)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	H(C[6]N[5a]C[6]2)	C[6](C[6]C[6]N[5]H)(N[5a]C[5a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	H(C[6]N[5a]C[6]2)	107.5275	0.738	2	107.5275	0.544	2	107.5275	0.544	2	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[5a]HH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(COO)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[5a]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(COO)(H){1|H<1>,3|C<4>}	H(C[6]C[6]N[6]C)	107.2000	0.160	4	107.2000	0.026	4	107.0388	0.149	5	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]H)(CHHO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCC)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CHHO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	106.3940	0.000	1	106.3940	0.000	1	107.0388	0.149	5	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(N[6]C[6]H)(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(NCH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HN)(N[6]C[6]H)(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(NCH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]C)	107.2140	0.000	1	107.2140	0.000	1	107.2140	0.000	1	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:N[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(N[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	H(C[6]N[6a]C[6]2)	C[6](C[6]C[6]N[5]H)(N[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	H(C[6]N[6a]C[6]2)	106.1290	0.000	1	106.1290	0.000	1	106.1290	0.000	1	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:N[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(N[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(N[6]C[6]2)(H)	H(C[6]N[6a]C[6]2)	C[6](C[6]C[6]N[6]H)(N[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(N[6]C[6]2)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	H(C[6]N[6a]C[6]2)	106.6289	0.917	8	106.6289	0.840	8	106.6289	0.840	8	107.3169	2.624	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:2:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:N-2:	C[6]-4:	C[6](C[6]C[5,6]CN)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[6]S[5]2)(C[6]C[6a]C[6]H)(COO)(NC)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]CN)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,2|S<2>,3|C<3>}	C[6](C[5,6]C[6]S[5]2)(C[6]C[6a]C[6]H)(COO)(NC){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.0810	0.000	1	107.0810	0.000	1	107.0810	0.000	1	106.4687	0.281	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:2:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(CC[6a]O)(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H){2|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(CC[6a]O)(CN){1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.1480	0.000	1	106.1480	0.000	1	106.1625	0.000	2	106.4687	0.281	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:2:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(COO)(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CC)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(COO)(CN){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.1770	0.000	1	106.1770	0.000	1	106.1625	0.000	2	106.4687	0.281	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:3:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]CH)(COO)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]CC)(H){3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]CH)(COO)2{2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	105.2010	0.000	1	105.2010	0.000	1	105.2010	0.000	1	105.2010	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C-3:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(CH3){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.6590	0.000	1	107.6590	0.000	1	107.6590	0.000	1	106.9830	0.914	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:3:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]C[6]H)(CHHO)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CHHO)	H(C[6]C[6]2C)	C[6](C[6]C[6]2C)(C[6]C[6]H)(CHHO)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2C)	106.3070	0.000	1	106.3070	0.000	1	106.3070	0.000	1	106.9830	0.914	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]N[5]O[6])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[5,6]C[5a]C[6])	C[6](C[5,6]C[5]N[5]O[6])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[5a]C[6])	106.9820	0.000	1	106.9820	0.000	1	106.9820	0.000	1	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(CCHH)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|O<2>,4|C<3>,6|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(CCHH)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6a]C[6])	107.3310	0.000	1	107.3310	0.000	1	106.4620	1.510	2	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(CH3)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]CH)(H){2|C<4>,2|H<1>,2|O<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(CH3)(H){1|C<4>,1|N<2>,2|O<2>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	105.5930	0.000	1	105.5930	0.000	1	106.4620	1.510	2	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(CH3)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|C<4>,2|O<2>,4|H<1>,5|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(CH3)(H){1|H<1>,2|C<4>,6|C<3>}	H(C[6]C[6,6]C[6a]C[6])	104.7810	0.000	1	104.7810	0.000	1	104.7810	0.000	1	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:B[6a]-3:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]CH)(B[6a]O[6a]2)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3]2C[6])(C[6]B[6a]C[6]H)(CC3)(H)	H(C[6]B[6a]C[6]2)	C[6](C[6]C[3,6]CH)(B[6a]O[6a]2)(C[6]C[6]CH)(H){2|B<3>,2|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]B[6a]C[6]H)(CC3)(H){2|Cl<1>,2|O<2>,3|H<1>,4|C<4>}	H(C[6]B[6a]C[6]2)	106.8170	0.770	3	106.8170	0.594	3	106.8170	0.594	3	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:B[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]CH)(B[6a]O[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]B[6a]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]B[6a]C[6]2)	C[6](C[6]C[3,6]CH)(B[6a]O[6a]2)(C[6]C[6]CH)(H){2|B<3>,2|H<1>,3|C<4>}	C[6](C[6]B[6a]C[6]H)(C[6]C[6]HH)(CH3)(H){2|C<4>,2|O<2>,3|H<1>}	H(C[6]B[6a]C[6]2)	106.8373	0.809	3	106.8373	0.655	3	106.8373	0.655	3	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3x6]C[6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[3x6]C[6,6]2O[6,6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[3x6]C[6]H)(C[6]C[6]O)(CCHH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[3x6]C[6,6]2O[6,6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,6|H<1>}	H(C[6]C[6]2C)	107.7980	0.000	1	107.7980	0.000	1	107.7980	0.000	1	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CCHH)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CCHH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	104.8460	0.000	1	104.8460	0.000	1	106.6230	1.578	5	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CC[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CC[6]HH)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(CCHH)(H){1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2C)	105.9690	0.000	1	105.9690	0.000	1	106.6230	1.578	5	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CC[6a]HH)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CC[6a]HH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.2790	0.783	2	107.2790	0.614	2	106.6230	1.578	5	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.7420	0.000	1	107.7420	0.000	1	106.6230	1.578	5	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|H<1>,2|O<1>,3|C<4>}	H(C[6]C[6]2C)	105.7125	0.554	4	105.7125	0.307	4	105.8450	0.226	6	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(CC[3]HH)(H)	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(CC[3]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|H<1>,2|O<1>,3|C<4>}	H(C[6]C[6]2C)	106.1100	0.000	2	106.1100	0.000	2	105.8450	0.226	6	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(CH3)(H)	C[6](C[6,6]C[6,6a]C[3x6]H)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6a]C[3x6]H)(C[6]C[6]CH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	106.3630	0.000	1	106.3630	0.000	1	106.6808	0.047	9	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.9480	0.000	1	106.7998	0.021	6	106.6808	0.047	9	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	106.7702	0.141	5	106.7998	0.021	6	106.6808	0.047	9	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CCHH)(H){1|C<3>,1|N<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	H(C[6]C[6]2C)	106.5500	0.000	1	106.5500	0.000	1	106.6808	0.047	9	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(H){1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.4150	0.000	1	106.4150	0.000	1	106.6808	0.047	9	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]N[6,6]O)(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[5]S[5]2C)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]H)(C[6]N[6,6]O)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>,2|S<2>}	C[6](C[6]C[6,6]HH)(C[5]S[5]2C)(C[6]C[6]CH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2C)	107.0100	0.000	1	107.0100	0.000	1	107.0100	0.000	1	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CH)2(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	106.0130	0.000	1	106.0130	0.000	1	106.7044	1.169	43	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC3)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCO)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2C)	105.3900	0.000	1	105.3900	0.000	1	106.7044	1.169	43	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2C)	108.2810	0.000	1	108.2810	0.000	1	106.7044	1.169	43	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHHO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHHO)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2C)	106.2560	0.139	2	106.2560	0.019	2	106.7044	1.169	43	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCo2C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCo2C)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	105.3105	0.312	2	105.3105	0.097	2	106.7044	1.169	43	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2C)	107.9463	0.050	3	107.9463	0.003	3	106.7044	1.169	43	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCo2C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCo2C)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	107.8375	0.361	2	107.8375	0.131	2	106.7044	1.169	43	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|Br<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	106.5960	0.000	1	106.5960	0.000	1	106.7044	1.169	43	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2C)	106.0590	0.000	1	105.9140	0.042	2	106.7044	1.169	43	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	105.7690	0.000	1	105.9140	0.042	2	106.7044	1.169	43	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)2(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	106.3840	0.028	2	106.1473	0.168	3	106.7044	1.169	43	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)2(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(CH3)(H){1|O<1>,3|C<4>}	H(C[6]C[6]2C)	105.6740	0.000	1	106.1473	0.168	3	106.7044	1.169	43	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	107.8650	0.000	1	106.9045	1.845	2	106.7044	1.169	43	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2C)	105.9440	0.000	1	106.9045	1.845	2	106.7044	1.169	43	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)2(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]CH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2C)	105.9880	0.000	1	105.9880	0.000	1	106.7044	1.169	43	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]OO)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)(H){1|C<3>,3|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]OO)(CH3)(H){1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	107.4820	0.000	1	107.4820	0.000	1	106.7044	1.169	43	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2C)	107.0875	0.019	2	107.0875	0.000	2	106.7044	1.169	43	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHO)(H){1|C<4>,2|O<1>}	H(C[6]C[6]2C)	107.1210	0.000	1	107.1210	0.000	1	106.7044	1.169	43	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2C)	105.6910	0.000	1	105.6910	0.000	1	106.7044	1.169	43	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6a]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6a]HH)(H){1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	107.0276	0.668	5	107.0276	0.446	5	106.7044	1.169	43	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)2(CHHO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(CHHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2C)	106.2200	0.000	1	106.2200	0.000	1	106.7044	1.169	43	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]O)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]N[6]O)(CCHO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(H){1|N<3>,2|O<1>}	H(C[6]C[6]2C)	107.5865	0.228	6	107.5865	0.052	6	106.7044	1.169	43	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CC3)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H){1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	106.5870	0.000	1	106.5870	0.000	1	106.7044	1.169	43	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCCH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H){1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	106.0820	0.000	1	106.0820	0.000	1	106.7044	1.169	43	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCHH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	104.7890	0.000	1	104.7890	0.000	1	106.7044	1.169	43	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	107.4560	0.000	1	107.4560	0.000	1	106.7044	1.169	43	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)(H)	C[6](C[6]C[6]CH)2(CHHI)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(CHHI)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	103.0360	0.000	1	103.0360	0.000	1	106.7044	1.169	43	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]O)(CCHO)(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)2(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]2H)(C[6]C[6]O)(CCHO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)2(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6]2C)	107.4250	0.000	1	107.4250	0.000	1	106.3061	0.702	9	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]O)(CC[6]HH)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]2H)(C[6]C[6]O)(CC[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,2|O<1>,4|C<4>}	H(C[6]C[6]2C)	105.7710	0.000	2	105.5157	0.196	3	106.3061	0.702	9	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]O)(CC[6]HH)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]2H)(C[6]C[6]O)(CC[6]HH)(H){1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2C)	105.0050	0.000	1	105.5157	0.196	3	106.3061	0.702	9	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]N[6]O)(CHHO)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]2H)(C[6]N[6]O)(CHHO)(H){3|H<1>,4|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|N<4>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6]2C)	107.0090	0.000	1	107.0090	0.000	1	106.3061	0.702	9	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]O[6]O)(CC[6a]CH)(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]2H)(C[6]O[6]O)(CC[6a]CH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<1>,2|O<2>}	H(C[6]C[6]2C)	106.1570	0.000	1	106.1570	0.000	1	106.3061	0.702	9	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]O[6]O)(CC[6a]HO)(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]2H)(C[6]O[6]O)(CC[6a]HO)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<1>,2|O<2>}	H(C[6]C[6]2C)	106.5390	0.842	3	106.5390	0.709	3	106.3061	0.702	9	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HP)(C[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]B[6]HH)(C[6]C[6]CH)(PC[6a]3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HP)(C[6]C[6]C)(CC[6a]HH)(H){1|B<4>,4|H<1>}	C[6](C[6]B[6]HH)(C[6]C[6]CH)(PC[6a]3)(H){1|C<4>,3|C<3>}	H(C[6]C[6]2C)	107.1530	0.000	1	107.1530	0.000	1	107.1530	0.000	1	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.2970	0.000	1	107.3240	0.001	2	107.3240	0.001	2	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	107.3510	0.000	1	107.3240	0.001	2	107.3240	0.001	2	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]2C)	105.5310	0.255	2	105.5310	0.065	2	105.5310	0.065	2	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]3)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]2)(C[6]C[6]CH)(H){1|C<4>,2|N<3>,4|C<3>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCHH)(H){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]3)	106.0140	0.000	1	106.0140	0.000	1	106.0140	0.000	1	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(SC[6a]OO)(H)	C[6](C[6]C[6]HO)(C[6]C[6]HS)(CHHO)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6]CH)(C[6]C[6]H)(SC[6a]OO)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]HS)(CHHO)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2S)	108.4490	0.000	1	108.4490	0.000	1	108.4490	0.000	1	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(CC[6a]ClH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(CC[6a]ClH)(H){1|C<4>,1|O<2>,1|S<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.4980	0.000	1	107.4980	0.000	1	107.4980	0.000	1	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6a]C[6]H)(CCHH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6a]C[6]H)(CCHH)(H){1|H<1>,2|C<4>,2|N<3>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.6190	0.000	1	108.6190	0.000	1	108.6190	0.000	1	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CC)(CCHH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,2|C<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CC)(CCHH)(H){1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.8900	0.000	1	106.8900	0.000	1	107.2237	0.381	7	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]C[6a]O)(C[6]C[6a]C[6]H)(CHHO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]O)(C[6]C[6a]C[6]H)(CHHO)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.7970	0.028	2	107.7970	0.001	2	107.2237	0.381	7	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]HH)(CH3)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]2)	107.7140	0.000	1	107.1957	0.491	3	107.2237	0.381	7	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]HH)(CH3)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]2)	106.9365	0.762	2	107.1957	0.491	3	107.2237	0.381	7	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(CCCO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]CH)(H){4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(CCCO)(H){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.4950	0.000	1	106.4950	0.000	1	107.2237	0.381	7	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]HH)(SC[6a]OO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]HH)(SC[6a]OO)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.4790	0.000	1	107.4790	0.000	1	107.4790	0.000	1	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CH3)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.3130	0.000	1	107.3130	0.000	1	107.4349	0.328	8	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]H)(CCCH)(H)	C[6](C[6]N[6]CH)(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CCCH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]O[6]CH)(CH3)(H){1|C<4>,1|H<1>}	H(C[6]C[6]N[6]C)	106.2050	0.000	1	106.2050	0.000	1	107.4349	0.328	8	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(H){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.7230	0.000	1	107.7230	0.000	1	107.4349	0.328	8	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]H)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CHHO)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(H){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.5480	0.000	1	107.5480	0.000	1	107.4349	0.328	8	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]C[6]ClH)(C[6]N[6]CH)(CCHH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]C[6]S)(CCHH)(H){1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]N[6]CH)(CCHH)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.5860	0.000	1	107.5860	0.000	1	107.4349	0.328	8	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CCHS)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]C[6]S)(CC[6a]HH)(H){1|O<2>,4|H<1>}	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CCHS)(H){1|C<4>,1|S<4>}	H(C[6]C[6]N[6]C)	107.3390	0.000	1	107.3390	0.000	1	107.4349	0.328	8	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(CH3)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]C[6]S)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(CH3)(H){1|S<4>,3|C<4>}	H(C[6]C[6]N[6]C)	107.8825	0.489	2	107.8825	0.239	2	107.4349	0.328	8	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]HH)(CC[6a]HH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]CH)(N[6]C[6]S)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.0700	0.000	1	107.0700	0.000	1	107.0700	0.000	1	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:N[6]-3:P-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(PO3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HP)(CCHH)(H)	H(C[6]C[6]N[6]P)	C[6](C[6]C[6]CH)(N[6]C[6]C)(PO3)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HP)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]P)	106.6230	0.000	1	106.6230	0.000	1	106.6230	0.000	1	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:1:	4:	N[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.1110	0.000	1	108.1110	0.000	1	108.1110	0.000	1	106.7552	0.923	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]C[5]O)(C[6]C[6]O)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C[5]O)(C[6]C[6]O)(CH3)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<1>,2|C<3>,2|H<1>,3|O<2>,4|C<4>}	H(C[6]C[6]2C)	107.0780	0.000	1	107.0780	0.000	1	107.0780	0.000	1	106.4919	0.976	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]C[6]O)(CCHH)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH){1|C<4>,2|O<1>}	H(C[6]C[6]2C)	107.2110	0.000	1	107.2110	0.000	1	106.4268	1.050	9	106.4919	0.976	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]N[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]N[6]O)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	106.0190	0.000	1	106.0190	0.000	1	106.4268	1.050	9	106.4919	0.976	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]N[6]O)(CC[5a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]N[6]O)(CC[5a]HH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	107.2050	0.000	1	107.2050	0.000	1	106.4268	1.050	9	106.4919	0.976	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]N[6]O)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]N[6]O)(CC[6a]CH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	106.1580	0.000	1	106.1580	0.000	1	106.4268	1.050	9	106.4919	0.976	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]N[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]N[6]O)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2C)	104.8240	0.000	1	105.6450	1.348	2	106.4268	1.050	9	106.4919	0.976	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]N[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]N[6]O)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	106.4660	0.000	1	105.6450	1.348	2	106.4268	1.050	9	106.4919	0.976	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]O)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]O[6]O)(CCCH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	105.8495	0.590	2	105.8495	0.349	2	106.4268	1.050	9	106.4919	0.976	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]O[6]O)(CCHH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	108.2590	0.000	1	108.2590	0.000	1	106.4268	1.050	9	106.4919	0.976	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(COO)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(COO){1|C<3>,2|C<4>}	H(C[6]C[6]2C)	107.3140	0.000	1	107.3140	0.000	1	107.6900	0.165	3	107.9482	2.277	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(COO)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]H)(CH3)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(COO){1|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.1210	0.000	1	108.1210	0.000	1	107.6900	0.165	3	107.9482	2.277	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(CC[5a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(COO)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]O)(CC[5a]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(COO){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	107.6350	0.000	1	107.6350	0.000	1	107.6900	0.165	3	107.9482	2.277	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:P-4:C-3:	C[6]-4:	C[6](C[6]C[6]CP)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PO3)(CHN)	H(C[6]C[6]2C)	C[6](C[6]C[6]CP)(C[6]C[6]H)(CH3)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PO3)(CHN){1|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.3400	0.000	1	107.3400	0.000	1	107.0500	0.168	2	107.9482	2.277	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:P-4:C-3:	C[6]-4:	C[6](C[6]C[6]CP)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)2(PO3)(CHN)	H(C[6]C[6]2C)	C[6](C[6]C[6]CP)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(PO3)(CHN){1|C<3>,3|H<1>}	H(C[6]C[6]2C)	106.7600	0.000	1	106.7600	0.000	1	107.0500	0.168	2	107.9482	2.277	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:3:	4:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]H)(SCOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(COO)	H(C[6]C[6]2S)	C[6](C[6]C[6]CC)(C[6]C[6]H)(SCOO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(COO){1|C<3>,3|H<1>}	H(C[6]C[6]2S)	108.8330	1.803	6	108.8330	3.252	6	108.8330	3.252	6	107.9482	2.277	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]C)(CC[5a]HH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CC)(N[6]C[6]C)(CC[5a]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(COO){1|C<3>,2|C<4>}	H(C[6]C[6]N[6]C)	106.9770	0.000	1	106.9770	0.000	1	106.9770	0.000	1	107.9482	2.277	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(N[6]C[6]H)(CC[5a]HN)(H)	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CC[6a]HH)(NCH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CN)(N[6]C[6]H)(CC[5a]HN)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CC[6a]HH)(NCH){1|C<3>,1|H<1>}	H(C[6]C[6]N[6]C)	106.1820	0.000	1	106.1820	0.000	1	106.1820	0.000	1	107.9482	2.277	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[5,6]O)(CH3)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(CHHO)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CC)(C[6]C[5,6]O)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(CHHO)(CH3){1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2C)	105.4490	0.000	1	105.4490	0.000	1	104.9652	0.826	5	105.8315	1.819	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CCHO)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CCHO)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	103.9820	0.000	2	103.9820	0.000	2	104.9652	0.826	5	105.8315	1.819	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(CH3){1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2C)	105.7065	0.192	2	105.7065	0.037	2	104.9652	0.826	5	105.8315	1.819	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H){1|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.8890	0.000	1	106.8890	0.000	1	105.5908	2.120	9	105.8315	1.819	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)2(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	103.1220	0.000	1	103.1220	0.000	1	105.5908	2.120	9	105.8315	1.819	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.2240	0.792	2	106.2240	0.627	2	105.5908	2.120	9	105.8315	1.819	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHO)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHO)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	105.8960	0.000	1	105.8960	0.000	1	105.5908	2.120	9	105.8315	1.819	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	104.3970	0.000	1	104.3970	0.000	1	105.5908	2.120	9	105.8315	1.819	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6a]HH)(H){1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.6020	0.000	1	106.6020	0.000	1	105.5908	2.120	9	105.8315	1.819	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]N)(CCHH)(H)	C[6](C[6]C[6]CH)2(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]N)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(CCHH)(CH3){1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2C)	107.0920	0.000	1	107.0920	0.000	1	105.5908	2.120	9	105.8315	1.819	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(CC[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]O)(CC[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CH3)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2C)	103.8710	0.000	1	103.8710	0.000	1	105.5908	2.120	9	105.8315	1.819	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:S-4:	C[6]-4:	C[6](C[6]C[6]SS)(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SCOO)2	H(C[6]C[6]2C)	C[6](C[6]C[6]SS)(C[6]C[6]H)(CCHH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SCOO)2{1|C<3>,3|H<1>}	H(C[6]C[6]2C)	106.1050	0.000	1	106.1050	0.000	1	106.1050	0.000	1	105.8315	1.819	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]N[6]CC)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]N[6]CC)(C[6]C[6]C)(CH3)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	105.7720	0.000	1	105.7720	0.000	1	105.7720	0.000	1	105.8315	1.819	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]H)(CCHO)(H)	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CH3)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CC)(N[6]C[6]H)(CCHO)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CH3)2{1|C<3>,1|H<1>}	H(C[6]C[6]N[6]C)	107.2715	0.053	2	107.2715	0.003	2	107.4025	0.024	4	105.8315	1.819	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:3:4:1:	4:4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CH3)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CC)(N[6]C[6]S)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CH3)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	H(C[6]C[6]N[6]C)	107.5335	0.023	2	107.5335	0.001	2	107.4025	0.024	4	105.8315	1.819	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2{2|C<3>}	C[6](N[6]C[5a,6])(C[6]C[6]HH)(H)2{1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	109.3415	0.047	4	109.3415	0.002	4	109.3415	0.002	4	109.2860	0.770	52	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]FH)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(F)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]FH)(H)2{4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(F)(H){1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.0295	0.047	2	109.0295	0.002	2	109.0295	0.002	2	109.2860	0.770	52	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]O[6]HH)(H)2	C[6](O[6]C[3,6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](O[6]C[3,6,6])(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.9605	0.037	2	109.9605	0.001	2	109.3251	0.914	43	109.2860	0.770	52	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]O[6]HH)(H)2	C[6](O[6]C[3x5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](O[6]C[3x5,6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4030	0.023	4	109.4030	0.001	4	109.3251	0.914	43	109.2860	0.770	52	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	C[6](O[6]C[5,5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](O[6]C[5,5,6])(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.6685	0.044	4	109.6685	0.002	4	109.3251	0.914	43	109.2860	0.770	52	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]HH)(H)2	C[6](O[6]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]HH)(H)2{4|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	107.2780	2.604	2	107.2780	6.779	2	109.3251	0.914	43	109.2860	0.770	52	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CO)(C[6]O[6]HH)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CO)(C[6]O[6]HH)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	108.9070	1.001	2	108.9070	1.003	2	109.3251	0.914	43	109.2860	0.770	52	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4540	0.169	8	109.4540	0.029	8	109.3251	0.914	43	109.2860	0.770	52	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	109.7515	0.021	2	109.7515	0.000	2	109.3251	0.914	43	109.2860	0.770	52	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](O[6]C[5,5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](O[6]C[5,5,6])(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.7650	0.017	2	109.7650	0.000	2	109.3251	0.914	43	109.2860	0.770	52	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](O[6]C[5,6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](O[6]C[5,6,6])(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.7100	0.065	11	109.7100	0.004	11	109.3251	0.914	43	109.2860	0.770	52	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2	C[6](O[6]C[5,5,6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|S<4>}	C[6](O[6]C[5,5,6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	107.2095	1.834	2	108.1612	4.102	4	109.3251	0.914	43	109.2860	0.770	52	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2	C[6](O[6]C[5,5,6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|S<4>}	C[6](O[6]C[5,5,6,6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1130	2.307	2	108.1612	4.102	4	109.3251	0.914	43	109.2860	0.770	52	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]O[6]HH)(H)2	C[6](O[6]B[5,6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]O[6]HH)(H)2{1|B<4>,1|C<3>}	C[6](O[6]B[5,6,6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.1420	0.010	2	109.1420	0.000	2	109.3251	0.914	43	109.2860	0.770	52	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]S[6]HH)(H)2	C[6](S[6]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]S[6]HH)(H)2{1|C<3>,1|S<2>}	C[6](S[6]C[5a,6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9490	0.000	1	108.8227	0.013	3	108.8227	0.013	3	109.2860	0.770	52	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]S[6]HH)(H)2	C[6](S[6]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]S[6]HH)(H)2{2|C<3>}	C[6](S[6]C[5a,6])(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	108.7595	0.036	2	108.8227	0.013	3	108.8227	0.013	3	109.2860	0.770	52	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]O[6]HO)(H)2	C[6](O[6]C[5a,6])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6]O[6]HO)(H)2{2|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]HH)(OC)(H){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	109.6870	0.061	2	109.6870	0.004	2	109.0796	1.172	15	109.1601	0.912	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]HO)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]HO)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	108.9142	0.188	4	108.9142	0.035	4	109.0796	1.172	15	109.1601	0.912	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]HO)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]HO)(H)2{1|O<2>,3|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OC)(H){1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.7325	2.473	2	109.7325	6.115	2	109.0796	1.172	15	109.1601	0.912	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HO)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HO)(H)2{4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OC)(H){1|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.3852	1.385	4	108.3852	1.919	4	109.0796	1.172	15	109.1601	0.912	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HO)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HO)(H)2{4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OH)(H){1|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.7990	0.000	1	108.7990	0.000	1	109.0796	1.172	15	109.1601	0.912	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[5a,6]C[6a]2)(C[6]O[6]HO)(H)2	C[6](O[6]C[5a,6])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]C[6a]2)(C[6]O[6]HO)(H)2{1|N<2>,5|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]HH)(OC)(H){1|N<3>,3|C<3>}	H(C[6]C[6]2H)	109.6790	0.034	2	109.6790	0.001	2	109.0796	1.172	15	109.1601	0.912	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HS)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(SC[6a])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HS)(H)2{4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(SC[6a])(H){1|H<1>,3|C<3>}	H(C[6]C[6]2H)	110.0455	0.097	2	110.0455	0.009	2	110.0455	0.009	2	109.1601	0.912	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	S[6]-2:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]HO)(H)2	C[6](S[6]C[5a,6])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]HO)(H)2{1|S<2>,3|C<3>}	C[6](S[6]C[5a,6])(C[6]C[6]HH)(OH)(H){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	109.0195	0.164	4	109.0195	0.027	4	109.0195	0.027	4	109.1601	0.912	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]ClH)(C[6]O[6]CH)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]ClH)(C[6]O[6]CH)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(COO)(H){1|Cl<1>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.6460	0.030	2	109.6460	0.001	2	109.1778	0.293	4	109.4853	0.277	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCO)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.7095	0.008	2	108.7095	0.000	2	109.1778	0.293	4	109.4853	0.277	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]HN)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(NHS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]HN)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(NHS)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.4485	0.023	2	109.4485	0.001	2	109.6098	0.035	4	109.4853	0.277	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]HN)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]HN)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(NCH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7710	0.007	2	109.7710	0.000	2	109.6098	0.035	4	109.4853	0.277	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[5]O[6]H)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[5]O[6]H)(H)2{1|C<4>,3|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.6683	0.706	4	109.6683	0.498	4	109.6683	0.498	4	109.4853	0.277	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CO)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(COO)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CO)(H)2{1|O<2>,3|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(COO)(OH){1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.7450	0.017	2	109.3315	0.169	13	109.3315	0.169	13	109.3315	0.169	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CO)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(COO)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CO)(H)2{4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(COO)(OH){1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.2564	0.402	11	109.3315	0.169	13	109.3315	0.169	13	109.3315	0.169	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]O[6]CC)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CNO)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]O[6]CC)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CNO)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.4512	0.081	6	108.4512	0.007	6	108.4512	0.007	6	108.4512	0.007	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:3:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:N[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]N[6]O[6]C)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(N[6]C[6]2)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]N[6]O[6]C)(H)2{2|C<3>,2|C<4>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(N[6]C[6]2)(CH3){2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.1790	0.000	1	108.1790	0.000	1	108.1790	0.000	1	108.1790	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-2:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]N[6]CH)(H)2	C[6](N[6]C[6,6a])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HN)(C[6]N[6]CH)(H)2{2|C<3>}	C[6](N[6]C[6,6a])(C[6]C[6]HH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	109.1120	0.030	2	109.1120	0.001	2	109.1120	0.001	2	108.8947	2.055	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHO)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.1610	0.048	2	109.1610	0.002	2	109.0753	2.885	26	108.8947	2.055	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6]C)(C[6]O[6]CH)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6]C)(C[6]O[6]CH)(H)2{4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,3|C<3>}	H(C[6]C[6]2H)	109.0765	0.049	2	109.0765	0.002	2	109.0753	2.885	26	108.8947	2.055	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CC[6a]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(H)2{4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CC[6a]HH)(H){1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.2050	0.007	2	109.2050	0.000	2	109.0753	2.885	26	108.8947	2.055	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.0644	2.420	9	108.0644	5.857	9	109.0753	2.885	26	108.8947	2.055	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHO)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.9443	0.970	10	109.9443	0.940	10	109.0753	2.885	26	108.8947	2.055	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6,6a]HO)(C[6]O[6]CH)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHO)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6a]HO)(C[6]O[6]CH)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHO)(H){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	H(C[6]C[6]2H)	109.0510	0.000	1	109.0510	0.000	1	109.0753	2.885	26	108.8947	2.055	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:4:1:	4:	C[6]-4:P[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(P[6]O[6]CC)(H)2	C[6](O[6]In[3x6])(C[6]P[6]HH)(CC3)(H)	H(C[6]C[6]P[6]H)	C[6](C[6]O[6]CH)(P[6]O[6]CC)(H)2{1|In<6>}	C[6](O[6]In[3x6])(C[6]P[6]HH)(CC3)(H){2|C<4>,5|O<2>}	H(C[6]C[6]P[6]H)	108.3615	0.178	6	108.3615	0.032	6	108.3814	0.039	10	108.8947	2.055	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:4:1:	4:	C[6]-4:P[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(P[6]O[6]CC)(H)2	C[6](O[6]In[6,6])(C[6]P[6]HH)(CC3)(H)	H(C[6]C[6]P[6]H)	C[6](C[6]O[6]CH)(P[6]O[6]CC)(H)2{1|In<5>}	C[6](O[6]In[6,6])(C[6]P[6]HH)(CC3)(H){2|C<4>,4|O<2>}	H(C[6]C[6]P[6]H)	108.4112	0.248	4	108.4112	0.062	4	108.3814	0.039	10	108.8947	2.055	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]CO)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]CO)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OC){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	108.9004	0.153	5	108.9004	0.023	5	109.1115	0.067	13	109.1115	0.067	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CO)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CO)(H)2{4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OH){1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.2353	0.142	4	109.2353	0.020	4	109.1115	0.067	13	109.1115	0.067	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CO)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OSi)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CO)(H)2{4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OSi){1|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.9865	0.012	2	108.9865	0.000	2	109.1115	0.067	13	109.1115	0.067	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CO)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OSi)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CO)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OSi){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5170	0.018	2	109.5170	0.000	2	109.1115	0.067	13	109.1115	0.067	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(CNO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(CNO){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5010	0.036	3	109.5010	0.001	3	109.3732	0.046	11	109.1800	0.261	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(COO){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1280	0.139	4	109.1280	0.019	4	109.3732	0.046	11	109.1800	0.261	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(CCH){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	109.5225	0.081	4	109.5225	0.007	4	109.3732	0.046	11	109.1800	0.261	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:N-3:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]O[6]CN)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(NCH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]O[6]CN)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(NCH){2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.1175	0.049	2	108.1175	0.002	2	108.1175	0.002	2	109.1800	0.261	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]CC)(H)2	C[6](O[6]N[5a,6])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]CC)(H)2{1|N<2>,1|N<3>,2|C<3>}	C[6](O[6]N[5a,6])(C[6]C[6]HH)(CH3)2{1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6]2H)	108.5570	0.000	1	108.5570	0.000	1	108.5847	0.692	93	108.3951	1.030	107	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]O[6]CC)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CN[5]HH)(CHHO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]O[6]CC)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CN[5]HH)(CHHO){2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.0229	0.436	10	108.0229	0.190	10	108.5847	0.692	93	108.3951	1.030	107	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6]C)(C[6]O[6]CC)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6]C)(C[6]O[6]CC)(H)2{4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	108.5200	0.016	2	108.5200	0.000	2	108.5847	0.692	93	108.3951	1.030	107	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(C[6]O[6]CC)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]C)(C[6]O[6]CC)(H)2{4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	108.3928	0.093	38	108.3928	0.009	38	108.5847	0.692	93	108.3951	1.030	107	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHH)(CHHS)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHH)(CHHS){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	107.1167	1.771	4	107.1167	3.136	4	108.5847	0.692	93	108.3951	1.030	107	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.0983	0.047	3	109.0557	0.701	35	108.5847	0.692	93	108.3951	1.030	107	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0517	0.877	32	109.0557	0.701	35	108.5847	0.692	93	108.3951	1.030	107	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CHHI)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CHHI)(CH3){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0710	0.000	1	109.0710	0.000	1	108.5847	0.692	93	108.3951	1.030	107	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CHHO)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CHHO)(CH3){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5690	2.292	2	109.5690	5.255	2	108.5847	0.692	93	108.3951	1.030	107	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	S[6]-2:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(C[6]S[6]CC)(H)2	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]C)(C[6]S[6]CC)(H)2{4|C<3>}	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CH3)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	107.6085	0.065	11	107.6085	0.004	11	107.6085	0.004	11	108.3951	1.030	107	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:4:4:	4:	C[6]-4:C[6]-4:H-1:I-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)(I)	C[6](O[6]C[6,6a])(C[6]C[6]HI)(CH3)2	H(C[6]C[6]2I)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)(I){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HI)(CH3)2{2|C<3>,2|H<1>}	H(C[6]C[6]2I)	107.3330	0.000	1	107.3330	0.000	1	107.3330	0.000	1	108.3951	1.030	107	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	2:4:4:4:	4:	C[6]-4:P[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]O[6]CC)(P[6]N[6]CC)(H)2	C[6](O[6]Ge[5,6])(C[6]P[6]HH)(CF3)2	H(C[6]C[6]P[6]H)	C[6](C[6]O[6]CC)(P[6]N[6]CC)(H)2{1|Ge<4>}	C[6](O[6]Ge[5,6])(C[6]P[6]HH)(CF3)2{1|N<2>,1|O<2>,1|P<3>,2|C<4>}	H(C[6]C[6]P[6]H)	104.4350	1.689	2	104.4350	2.851	2	104.4350	2.851	2	108.3951	1.030	107	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)2{6|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.4606	0.199	11	109.4606	0.040	11	109.4357	0.059	23	109.4026	0.067	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)2	C[6](C[6a]C[6a]N[6a])(O[6]C[6,6a])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)2{1|N<2>,5|C<3>}	C[6](C[6a]C[6a]N[6a])(O[6]C[6,6a])(C[6]C[6]HH)(H){2|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.6455	0.071	4	109.6455	0.005	4	109.4357	0.059	23	109.4026	0.067	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CC)(H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CC)(H)2{4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.0727	0.123	4	109.0727	0.015	4	109.4357	0.059	23	109.4026	0.067	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HN)(H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HN)(H)2{4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.3660	0.064	2	109.3660	0.004	2	109.4357	0.059	23	109.4026	0.067	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HO)(H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HO)(H)2{4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.6745	0.006	2	109.6745	0.000	2	109.4357	0.059	23	109.4026	0.067	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:S[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]S[6]H)(H)2	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]S[6]H)(H)2{6|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.0220	0.016	2	109.0220	0.000	2	109.0220	0.000	2	109.4026	0.067	25	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:2:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:O[6]-2:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O[6]O)(H)2	C[6](C[6]C[6]N[6])(O[6]C[6,6a])(C[6]C[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O[6]O)(H)2{1|N<3>,5|C<3>}	C[6](C[6]C[6]N[6])(O[6]C[6,6a])(C[6]C[6]HH)(OH){1|O<1>,2|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.7740	0.024	2	109.7740	0.001	2	109.7740	0.001	2	109.2674	0.182	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:2:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:O[6]-2:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]O[6]O)(H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]O[6]O)(H)2{6|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OC){3|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.5010	0.020	2	109.5010	0.000	2	109.1548	0.149	9	109.2674	0.182	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:2:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:O[6]-2:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]O)(H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OSi)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]O)(H)2{6|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OSi){3|H<1>,5|C<3>}	H(C[6]C[6]2H)	108.9675	0.028	2	108.9675	0.001	2	109.1548	0.149	9	109.2674	0.182	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:2:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:O[6]-2:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]CH)(H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OSi)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]CH)(H)2{4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OSi){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.7155	0.016	2	108.7155	0.000	2	109.1548	0.149	9	109.2674	0.182	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:2:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:O[6]-2:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]HO)(H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]HO)(H)2{4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OC){1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.3417	0.441	3	109.3417	0.194	3	109.1548	0.149	9	109.2674	0.182	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:2:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:O[6]-2:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]CC)(H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]CC)(H)2{4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,2|O<2>,3|C<3>}	H(C[6]C[6]2H)	108.1555	0.050	2	108.1555	0.003	2	108.1555	0.003	2	108.1555	0.003	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:2:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]CH)(H)2	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]CH)(H)2{6|C<3>}	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]HH){1|C<4>,5|H<1>,6|C<3>}	H(C[6]C[6]2H)	109.5110	0.034	2	109.5110	0.001	2	109.5110	0.001	2	109.5110	0.001	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:3:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6a]2)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]2)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(C[6]C[6]HH){1|C<4>,1|F<1>,6|C<3>,7|H<1>}	H(C[6]C[6]2H)	108.6369	0.156	11	108.6369	0.024	11	108.6369	0.024	11	108.8694	0.149	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:3:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C[5])(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]C[5])(C[6]C[6]HH)(H)2{1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]2)(C[6]C[6]HH){3|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.3480	0.000	1	109.3480	0.000	1	109.3480	0.000	1	108.8694	0.149	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:3:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]2)(C[6]N[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]2)(C[6]N[6]HH)(H)2{1|C<4>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH){1|N<3>,6|C<3>,7|H<1>}	H(C[6]C[6]2H)	109.4310	0.000	1	109.4310	0.000	1	109.4310	0.000	1	108.8694	0.149	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:3:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]2C[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]2C[6])(C[6]N[6]HH)(H)2{1|S<4>,6|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]C[6]HH){1|N<3>,6|C<3>,7|H<1>}	H(C[6]C[6]2H)	109.2550	0.016	2	109.2550	0.000	2	109.2550	0.000	2	108.8694	0.149	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:3:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]C[6a]2)(C[6]O[6]HO)(H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)2(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]C[6a]2)(C[6]O[6]HO)(H)2{1|N<2>,5|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)2(C[6]C[6]HH){2|O<2>,5|H<1>,6|C<3>}	H(C[6]C[6]2H)	109.6160	0.000	1	109.6160	0.000	1	109.6160	0.000	1	108.8694	0.149	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6,6a]C[5a]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6,6a]C[5a]H)(H)2{1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[5,6]HH)(H){2|H<1>,2|N<3>,6|C<3>}	H(C[6]C[5,6]C[6]H)	109.1125	0.009	2	109.1125	0.000	2	109.1125	0.000	2	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH)(Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]ClH)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH)(Cl)(H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]ClH)(H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2Cl)	105.3770	0.000	1	105.3770	0.000	1	105.3770	0.000	1	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.0385	0.011	2	109.0385	0.000	2	109.0538	0.022	6	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]CO)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]CO)(H)2{1|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.8975	0.016	2	108.8975	0.000	2	109.0538	0.022	6	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(H)2{1|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.2255	0.030	2	109.2255	0.001	2	109.0538	0.022	6	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[5a]H)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[5a]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1893	0.044	3	109.1893	0.002	3	109.2006	0.002	5	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[5a]H)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[5a]H)(C[6]C[6]HH)(H)2{1|H<1>,2|N<3>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.2175	0.049	2	109.2175	0.002	2	109.2006	0.002	5	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[5,6]CH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[5,6]CH)(H)2{6|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.2540	0.004	2	109.2540	0.000	2	109.2562	0.502	20	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[5,6]C[6a]H)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[5,6]C[6a]H)(H)2{8|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.3438	0.073	4	109.3438	0.005	4	109.2562	0.502	20	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CC)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	H(C[6]C[6]2H)	108.7237	0.025	3	108.8172	0.017	5	109.2562	0.502	20	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CC)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CC)(H)2{5|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,7|C<3>}	H(C[6]C[6]2H)	108.9575	0.054	2	108.8172	0.017	5	109.2562	0.502	20	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]ClH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]ClH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,1|S<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.0430	0.018	2	109.0430	0.000	2	109.2562	0.502	20	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]CC)(H)2	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]CC)(H)2{1|N<2>,1|N<3>,2|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|N<2>}	H(C[6]C[6]2H)	108.5590	0.000	1	108.5590	0.000	1	109.2562	0.502	20	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]HH)(H)2{4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	111.2090	0.031	2	111.2090	0.001	2	109.2562	0.502	20	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]HO)(H)2	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]HO)(H)2{1|S<2>,3|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,1|S<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.0230	0.113	4	109.0230	0.013	4	109.2562	0.502	20	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[5]C[5]S[5])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[5]C[5]S[5])(C[6]C[6]HH)(H){1|C<4>,3|H<1>,3|O<1>,4|C<3>}	H(C[6]C[6]2H)	109.7215	0.033	2	109.7215	0.001	2	109.7215	0.001	2	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[5a]N[6]H)(H)2	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[5a]N[6]H)(H)2{1|C<4>,2|H<1>,5|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	H(C[6]C[6]2H)	108.6780	0.004	2	108.6780	0.000	2	108.6780	0.000	2	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O[6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O[6]O)(H)2{1|N<3>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6]2H)	109.3020	0.240	4	109.3020	0.058	4	109.2096	0.053	14	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(H)2{2|H<1>,6|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4165	0.005	2	109.4165	0.000	2	109.2096	0.053	14	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(H)2{4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Br<1>,1|H<1>,1|O<1>,2|O<2>,5|C<3>}	H(C[6]C[6]2H)	108.8783	0.098	3	109.0295	0.032	6	109.2096	0.053	14	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(H)2{4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,4|C<3>}	H(C[6]C[6]2H)	109.1690	0.028	2	109.0295	0.032	6	109.2096	0.053	14	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(H)2{4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6]2H)	109.2040	0.000	1	109.0295	0.032	6	109.2096	0.053	14	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]HO)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]HO)(H)2{1|C<4>,3|C<3>}	C[6](C[6,6]C[5,6]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3585	0.023	2	109.3585	0.001	2	109.2096	0.053	14	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]O[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]O[6]O)(H)2{6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H){1|N<3>,2|H<1>,2|O<2>,5|C<3>}	H(C[6]C[6]2H)	109.5295	0.012	2	109.5295	0.000	2	109.6262	0.383	4	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]HO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]HO)(H)2{1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,3|C<3>,3|O<2>}	H(C[6]C[6]2H)	109.7230	1.054	2	109.7230	1.110	2	109.6262	0.383	4	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|I<1>,4|C<3>}	H(C[6]C[6]2H)	109.5285	0.009	2	109.4822	0.003	4	109.4822	0.003	4	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HH)(H){2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4360	0.023	2	109.4822	0.003	4	109.4822	0.003	4	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,4|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.5012	0.754	4	109.5012	0.569	4	109.3327	0.191	100	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CO)(H)2{1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,6|C<3>}	H(C[6]C[6]2H)	108.9880	0.028	2	108.9880	0.001	2	109.3327	0.191	100	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.4613	0.167	4	109.3445	0.357	19	109.3327	0.191	100	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2{1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4338	0.018	4	109.3445	0.357	19	109.3327	0.191	100	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2{1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.6527	0.061	4	109.3445	0.357	19	109.3327	0.191	100	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2{1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,4|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.3790	0.020	2	109.3445	0.357	19	109.3327	0.191	100	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2{1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){5|C<3>,5|H<1>}	H(C[6]C[6]2H)	108.5873	1.437	3	109.3445	0.357	19	109.3327	0.191	100	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.4170	0.013	2	109.3445	0.357	19	109.3327	0.191	100	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O[6]O)(H)2{1|N<3>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,3|O<2>,4|C<3>}	H(C[6]C[6]2H)	109.7225	0.039	2	109.7225	0.002	2	109.3327	0.191	100	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(H)2{1|C<4>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,4|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.5500	0.016	2	109.2842	0.069	17	109.3327	0.191	100	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(H)2{1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.0500	0.144	6	109.2842	0.069	17	109.3327	0.191	100	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(H)2{1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,4|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.3813	0.236	9	109.2842	0.069	17	109.3327	0.191	100	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)2{1|N<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,4|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.6603	0.040	3	109.4993	0.039	15	109.3327	0.191	100	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)2{6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|H<1>,4|O<2>,5|C<3>}	H(C[6]C[6]2H)	109.5655	0.016	2	109.4993	0.039	15	109.3327	0.191	100	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)2{6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,4|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.4113	0.236	6	109.4993	0.039	15	109.3327	0.191	100	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)2{6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,3|O<2>,5|C<3>}	H(C[6]C[6]2H)	109.4775	0.203	4	109.4993	0.039	15	109.3327	0.191	100	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]O)(H)2{6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,3|O<2>,4|C<3>}	H(C[6]C[6]2H)	108.9905	0.012	2	108.9905	0.000	2	109.3327	0.191	100	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]S[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]S[6]H)(H)2{6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|S<2>,4|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.0295	0.015	2	109.0295	0.000	2	109.3327	0.191	100	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]CC)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,6|C<3>}	H(C[6]C[6]2H)	109.0960	0.188	4	109.0960	0.035	4	109.3327	0.191	100	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,4|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.6040	0.025	2	109.6040	0.001	2	109.3327	0.191	100	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2045	0.035	2	109.2045	0.001	2	109.3327	0.191	100	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CO)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>,3|O<2>}	H(C[6]C[6]2H)	109.1522	0.155	6	109.2204	0.111	18	109.3327	0.191	100	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CO)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,3|O<2>,4|C<3>}	H(C[6]C[6]2H)	109.0161	0.208	8	109.2204	0.111	18	109.3327	0.191	100	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CO)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|O<2>,3|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.7313	0.133	4	109.2204	0.111	18	109.3327	0.191	100	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CO)(H)2	C[6](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CO)(H)2{1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,2|O<2>,5|C<3>}	H(C[6]C[6]2H)	109.6870	0.027	2	109.6870	0.001	2	109.3327	0.191	100	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]FH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]FH)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|F<1>,1|O<2>,3|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.0480	0.025	2	109.0480	0.001	2	109.3327	0.191	100	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HO)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|O<2>}	H(C[6]C[6]2H)	108.8650	1.189	2	109.2802	0.883	5	109.3327	0.191	100	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HO)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|H<1>,3|O<2>}	H(C[6]C[6]2H)	109.9410	0.812	2	109.2802	0.883	5	109.3327	0.191	100	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HO)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.7890	0.000	1	109.2802	0.883	5	109.3327	0.191	100	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HS)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HS)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,1|S<2>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	110.0510	0.006	2	110.0510	0.000	2	109.3327	0.191	100	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]P[5])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6]HH)(H)2{1|P<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]P[5])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4410	0.059	2	109.4410	0.004	2	109.4410	0.004	2	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H){1|C<4>,2|N<2>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4348	0.074	4	109.4348	0.005	4	109.3333	0.028	6	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N[5a]H)(C[6]N[5,6]HH)(H)2	C[6](C[6,6a]C[5,6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]N[5a]H)(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6]C[6]HH)(H){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.1305	0.018	2	109.1305	0.000	2	109.3333	0.028	6	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]P[6,6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]P[6,6])(C[6]C[6]HH)(H){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.8700	0.013	2	109.8700	0.000	2	109.8700	0.000	2	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:F-1:	C[6]-4:	C[6](C[6]C[6a]C[6]F)(C[6]C[6,6a]HH)(H)2	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)(F)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]F)(C[6]C[6,6a]HH)(H)2{1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)(F){4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3372	0.113	4	109.3372	0.013	4	109.3372	0.013	4	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(H)2	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.0135	0.047	2	109.0135	0.002	2	109.2954	0.092	10	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.8465	0.005	2	109.8465	0.000	2	109.2954	0.092	10	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]HO)(H)2	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]HO)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.2057	0.038	6	109.2057	0.001	6	109.2954	0.092	10	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]N[6]H)(H)2	C[6](C[6]C[6]N[6])(N[6]C[6,6a]P)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]N[6]H)(H)2{1|N<3>,1|P<4>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a]P)(C[6]C[6]HH)(H){1|Ir<6>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	110.1610	0.010	2	110.1610	0.000	2	109.8672	0.116	4	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6]C[6]N[6])(N[6]C[6,6]Ru)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6,6]HH)(H)2{1|Ru<5>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6]Ru)(C[6]C[6]HH)(H){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.5735	0.053	2	109.5735	0.003	2	109.8672	0.116	4	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2{1|O<1>,4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]O)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.7040	0.021	4	109.7040	0.000	4	109.7040	0.000	4	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[5a,6a]N[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[5a,6a]N[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.3415	0.026	2	109.3415	0.001	2	109.3415	0.001	2	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]N[6]H)(H)2	C[6](C[6a]C[6a]2)(N[6]C[6,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]N[6]H)(H)2{1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6]O)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.6480	0.014	2	108.6480	0.000	2	108.9860	0.343	3	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]S)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(H)2{1|N<2>,1|S<4>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]S)(C[6]C[6]HH)(H){3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.6620	0.000	1	109.6620	0.000	1	108.9860	0.343	3	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]C[5,6]CC)(H)2	C[6](N[5,6]C[5,6a]O[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[5,6]CC)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6](N[5,6]C[5,6a]O[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,6|C<3>}	H(C[6]C[6]2H)	109.1310	0.110	9	109.1310	0.012	9	109.0615	0.042	23	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6,6a]HH)(H)2	C[6](N[5,6]C[5,6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6](N[5,6]C[5,6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Ir<6>,1|N<3>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.6523	0.079	3	108.6523	0.006	3	109.0615	0.042	23	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]HH)(H)2	C[6](N[5,6]Si[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]HH)(H)2{1|Si<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](N[5,6]Si[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1702	0.145	4	109.1702	0.021	4	109.0615	0.042	23	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6a]C[6]H)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,2|H<1>,5|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.0520	0.007	2	109.0520	0.000	2	109.0615	0.042	23	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6a]N[6]H)(H)2	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6a]N[6]H)(H)2{1|N<2>,5|C<3>}	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.1670	0.240	3	109.1670	0.058	3	109.0615	0.042	23	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]CH)(H)2	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]CH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.9960	0.021	2	108.9960	0.000	2	109.0615	0.042	23	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6a]N[6]H)(H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6a]N[6]H)(H)2{1|H<1>,1|N<2>,5|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.8025	0.012	2	108.8025	0.000	2	108.8025	0.000	2	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](N[5a]C[5a]N[5a])(C[6]C[6a]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5050	0.031	2	109.5050	0.001	2	109.5050	0.001	2	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6,6]ClH)(H)2	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6,6]ClH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.8198	0.342	6	109.8198	0.117	6	109.8198	0.117	6	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[5a]C[5a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[5a]C[5a]2)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1910	0.027	2	109.1910	0.001	2	109.1910	0.001	2	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]N[6]H)(H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]N[6]H)(H)2{1|H<1>,6|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.0310	0.066	6	109.0310	0.004	6	109.2500	0.107	64	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(H)2	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(H)2{1|C<4>,6|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.5390	0.013	2	109.5390	0.000	2	109.2500	0.107	64	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(H)2{1|H<1>,6|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Br<1>,2|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.3483	0.223	4	109.2419	0.045	14	109.2500	0.107	64	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(H)2{1|H<1>,6|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.1994	0.204	10	109.2419	0.045	14	109.2500	0.107	64	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.4228	0.133	5	109.5498	0.111	6	109.2500	0.107	64	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,2|N<3>,4|C<3>}	H(C[6]C[6]2H)	110.1850	0.000	1	109.5498	0.111	6	109.2500	0.107	64	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[5a,6]CH)(H)2	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[5a,6]CH)(H)2{1|H<1>,4|C<3>}	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.9530	0.000	1	108.9530	0.000	1	109.2500	0.107	64	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CC)(H)2	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CC)(H)2{1|C<4>,4|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,6|C<3>}	H(C[6]C[6]2H)	109.0263	0.252	4	109.0263	0.064	4	109.2500	0.107	64	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(H)2	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(H)2{1|C<4>,4|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.1018	0.074	4	109.1018	0.005	4	109.2500	0.107	64	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(H)2{1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4595	0.029	2	109.4595	0.001	2	109.2500	0.107	64	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(H)2	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(H)2{1|S<4>,4|C<3>}	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3980	0.011	2	109.3980	0.000	2	109.2500	0.107	64	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HN)(H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HN)(H)2{1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.6555	0.012	2	109.6555	0.000	2	109.2500	0.107	64	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HO)(H)2	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HO)(H)2{5|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.1690	0.034	2	109.1690	0.001	2	109.2500	0.107	64	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HO)(H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HO)(H)2{1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.6610	0.198	2	109.6610	0.039	2	109.2500	0.107	64	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HS)(H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HS)(H)2{1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|S<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.4500	1.329	2	109.4500	1.767	2	109.2500	0.107	64	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CC)(H)2	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CC)(H)2{1|N<2>,4|C<3>}	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,7|C<3>}	H(C[6]C[6]2H)	109.0567	0.043	4	109.0567	0.002	4	109.2500	0.107	64	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){4|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.8010	0.027	2	109.8010	0.001	2	109.2500	0.107	64	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HN)(H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HN)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.0387	0.073	8	109.0387	0.005	8	109.2500	0.107	64	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6a]N[6]H)(H)2	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6a]N[6]H)(H)2{1|H<1>,1|N<2>,5|C<3>}	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.8590	0.000	1	108.8590	0.000	1	109.2500	0.107	64	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]CH)(H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|N<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.2085	0.067	2	109.8832	2.049	10	109.8832	2.049	10	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]CH)(H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|N<2>,3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2700	0.147	6	109.8832	2.049	10	109.8832	2.049	10	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]CH)(H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){3|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	112.3975	1.587	2	109.8832	2.049	10	109.8832	2.049	10	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:S[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(S[6]O[6]OO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]S[6]HH)(H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6,6a]C[6a]H)(S[6]O[6]OO)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]S[6]HH)(H){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	H(C[6]C[6]S[6]H)	109.8447	0.229	7	109.8447	0.052	7	109.8447	0.052	7	109.3144	0.286	313	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(COO){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1617	0.206	3	109.1617	0.043	3	109.1617	0.043	3	109.1527	0.087	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]2C[6])(C[6]C[6]CH)(H)2	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]2C[6])(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,5|C<3>}	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,5|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.0930	0.004	2	109.0930	0.000	2	108.9693	0.021	4	109.1527	0.087	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,4|C<3>,8|H<1>}	H(C[6]C[6]2H)	108.8455	0.016	2	108.8455	0.000	2	108.9693	0.021	4	109.1527	0.087	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]HH)(H)2	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(COO){4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.6705	0.023	2	109.6705	0.001	2	109.3295	0.155	4	109.1527	0.087	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]HH)(H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(COO){4|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.9885	0.008	2	108.9885	0.000	2	109.3295	0.155	4	109.1527	0.087	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-3:C[5]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5]C[5]N[5])2(C[6]C[6]HH)2	H(C[6]C[6]2H)	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6](C[5]C[5]N[5])2(C[6]C[6]HH)2{1|Co<5>,2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.1615	0.064	8	109.1552	0.021	16	109.1552	0.021	16	108.7832	0.192	362	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-3:C[5]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5]C[5]N[5])2(C[6]C[6]HH)2	H(C[6]C[6]2H)	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6](C[5]C[5]N[5])2(C[6]C[6]HH)2{1|Fe<5>,2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.1489	0.201	8	109.1552	0.021	16	109.1552	0.021	16	108.7832	0.192	362	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[5]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6]C[6]HH)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6]C[6]HH)2{1|C<4>,4|C<3>,7|H<1>}	H(C[6]C[6]2H)	108.4052	1.810	4	108.4052	3.277	4	108.4052	3.277	4	108.7832	0.192	362	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5a]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5a]C[5a]N[5a])2(C[6]C[6]HH)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6](C[5a]C[5a]N[5a])2(C[6]C[6]HH)2{1|C<4>,4|C<3>,8|H<1>}	H(C[6]C[6]2H)	108.8113	0.207	4	108.5630	0.098	43	108.6080	0.110	48	108.7832	0.192	362	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5a]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5a]C[5a]N[5a])2(C[6]C[6]HH)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6](C[5a]C[5a]N[5a])2(C[6]C[6]HH)2{1|Co<4>,1|C<4>,4|C<3>,6|H<1>}	H(C[6]C[6]2H)	108.5375	0.254	11	108.5630	0.098	43	108.6080	0.110	48	108.7832	0.192	362	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5a]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5a]C[5a]N[5a])2(C[6]C[6]HH)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6](C[5a]C[5a]N[5a])2(C[6]C[6]HH)2{1|Cu<4>,1|C<4>,4|C<3>,6|H<1>}	H(C[6]C[6]2H)	108.5654	0.278	14	108.5630	0.098	43	108.6080	0.110	48	108.7832	0.192	362	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5a]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5a]C[5a]N[5a])2(C[6]C[6]HH)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6](C[5a]C[5a]N[5a])2(C[6]C[6]HH)2{1|Fe<4>,1|C<4>,4|C<3>,6|H<1>}	H(C[6]C[6]2H)	108.4508	0.343	13	108.5630	0.098	43	108.6080	0.110	48	108.7832	0.192	362	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5a]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5a]C[5a]N[5a])2(C[6]C[6]HH)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]2C[6])(C[6]C[6]HH)(H)2{2|N<3>,3|C<3>,4|H<1>}	C[6](C[5a]C[5a]N[5a])2(C[6]C[6]HH)2{1|C<4>,1|O<1>,4|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.2750	0.000	1	108.5630	0.098	43	108.6080	0.110	48	108.7832	0.192	362	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5a]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5a]C[5a]O[5a])2(C[6]C[6]HH)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6](C[5a]C[5a]O[5a])2(C[6]C[6]HH)2{1|C<4>,4|C<3>,6|H<1>}	H(C[6]C[6]2H)	108.9954	0.225	5	108.9954	0.051	5	108.6080	0.110	48	108.7832	0.192	362	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]C[5a]C)(C[6]N[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[5a]C)(C[6]N[6]CC)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(CH3){1|H<1>,1|O<2>,2|C<4>,2|N<3>,4|C<3>}	H(C[6]C[6]2H)	108.0590	0.000	1	108.0590	0.000	1	108.0590	0.000	1	108.7832	0.192	362	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]CC)(H)2{2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|C<4>,3|H<1>,6|C<3>}	H(C[6]C[6]2H)	108.7790	0.000	1	108.7790	0.000	1	108.4272	0.295	70	108.7832	0.192	362	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(H)2{1|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3127	0.012	4	109.1497	0.032	8	108.4272	0.295	70	108.7832	0.192	362	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(H)2{1|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6]2H)	108.9868	0.054	4	109.1497	0.032	8	108.4272	0.295	70	108.7832	0.192	362	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CHHN)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(H)2{2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CHHN){1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.3505	0.011	2	109.3505	0.000	2	108.4272	0.295	70	108.7832	0.192	362	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HS)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HS)(H)2{1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|S<4>,4|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.3655	0.008	2	109.3655	0.000	2	108.4272	0.295	70	108.7832	0.192	362	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]N[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]N[6]H)(H)2{1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CCHH){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	H(C[6]C[6]2H)	108.9785	0.028	2	108.9785	0.001	2	108.4272	0.295	70	108.7832	0.192	362	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]N[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]N[6]H)(H)2{1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.1087	0.038	3	109.1087	0.001	3	108.4272	0.295	70	108.7832	0.192	362	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(C[6]O[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]C)(C[6]O[6]CC)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.3949	0.084	38	108.3949	0.007	38	108.4272	0.295	70	108.7832	0.192	362	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(C[6]S[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]C)(C[6]S[6]CC)(H)2{1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|S<3>,2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	107.4100	0.023	2	107.5859	0.012	14	108.4272	0.295	70	108.7832	0.192	362	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(C[6]S[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]C)(C[6]S[6]CC)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|S<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	107.6152	0.086	12	107.5859	0.012	14	108.4272	0.295	70	108.7832	0.192	362	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(H)2	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(H)2{1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|I<1>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.0510	0.178	2	109.0510	0.032	2	108.8263	0.078	4	108.7832	0.192	362	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]N[5a,6]HH)(H)2	C[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]N[5a,6]HH)(H)2{1|O<1>,4|C<3>}	C[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.6015	0.006	2	108.6015	0.000	2	108.8263	0.078	4	108.7832	0.192	362	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]HN)	H(C[6]C[6]2H)	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]HN){2|C<4>,4|C<3>,7|H<1>}	H(C[6]C[6]2H)	109.0335	0.100	2	109.0335	0.010	2	108.9148	0.074	213	108.7832	0.192	362	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]N[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]N[6]HH){1|C<4>,5|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.3395	0.012	2	109.3395	0.000	2	108.9148	0.074	213	108.7832	0.192	362	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{5|C<3>,8|H<1>}	H(C[6]C[6]2H)	108.8576	0.244	15	108.9096	0.074	209	108.9148	0.074	213	108.7832	0.192	362	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{1|C<4>,4|C<3>,8|H<1>}	H(C[6]C[6]2H)	108.9079	0.102	92	108.9096	0.074	209	108.9148	0.074	213	108.7832	0.192	362	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{1|C<4>,4|C<3>,8|H<1>}	H(C[6]C[6]2H)	108.9188	0.366	102	108.9096	0.074	209	108.9148	0.074	213	108.7832	0.192	362	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[5,6]C[6a]C)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6a]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.1270	0.007	2	109.0850	0.002	4	109.0850	0.002	4	108.7832	0.192	362	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[5,6]C[6a]C)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6a]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.0430	0.008	2	109.0850	0.002	4	109.0850	0.002	4	108.7832	0.192	362	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]HH)(H)2	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(CCHH){4|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.8815	0.023	2	108.8815	0.001	2	108.8815	0.001	2	108.7832	0.192	362	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	B[6]-4:C[6]-4:H-1:H-1:	P[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2	C[6](P[6]C[6a]C[6])(C[6]B[6]HH)(H)2	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2{6|C<3>}	C[6](P[6]C[6a]C[6])(C[6]B[6]HH)(H)2{2|O<2>,4|C<3>}	H(C[6]B[6]C[6]H)	108.9910	0.000	1	108.9910	0.000	1	108.9910	0.000	1	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[3,6]C[6]H)	109.9245	0.018	2	109.9245	0.000	2	109.9245	0.000	2	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6,6a]HH)(H)2{2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[3,6]C[6]H)	108.5910	0.000	1	108.5910	0.000	1	109.3914	0.816	28	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2{1|N<3>,2|C<3>,2|F<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	109.7425	0.040	2	108.8416	0.463	13	109.3914	0.816	28	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2{1|N<4>,2|C<3>,2|F<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	108.8360	0.184	2	108.8416	0.463	13	109.3914	0.816	28	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2{2|Cl<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	108.6095	1.593	2	108.8416	0.463	13	109.3914	0.816	28	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2{2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[3,6]C[6]H)	108.7530	0.014	2	108.8416	0.463	13	109.3914	0.816	28	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2{2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	108.6118	0.493	5	108.8416	0.463	13	109.3914	0.816	28	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]N[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]N[6])(C[6]C[6,6a]HH)(H)2{2|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[3,6]C[6]H)	110.3650	0.466	4	110.3650	0.217	4	109.3914	0.816	28	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[3,6]C[6]H)	109.1397	0.048	4	109.1397	0.002	4	109.3914	0.816	28	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6,6a]HH)(H)2{2|Br<1>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[3,6]C[6]H)	109.6890	0.034	2	109.6890	0.001	2	109.3914	0.816	28	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3]2O[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2O[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[3,6]C[6]H)	111.2165	0.158	2	111.2165	0.025	2	109.3914	0.816	28	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[3,6]C[6]H)	109.7990	0.106	2	109.7990	0.011	2	109.3914	0.816	28	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[4,6,6]C[6,6]O[6])(C[6]C[3x6]HH)(H)2	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[3x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4,6,6]C[6,6]O[6])(C[6]C[3x6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[3x6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[3x6]C[6]H)	109.3270	0.000	1	109.3270	0.000	1	109.3270	0.000	1	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6,6a]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[3x6]C[6]H)	107.4575	0.221	2	107.4575	0.049	2	108.8740	1.058	7	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,2|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[3x6]C[6]H)	109.7403	0.047	3	109.7403	0.002	3	108.8740	1.058	7	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6,6a]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[3x6]C[6]H)	108.9910	0.044	2	108.9910	0.002	2	108.8740	1.058	7	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[4,5]C[5,6])(C[6]C[4,6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[4,5]C[5,6])(C[6]C[4,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[4,6]C[6]H)	109.2320	0.000	1	109.2320	0.000	1	108.5830	0.316	3	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[4,6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[4,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[4,6]C[6]H)	108.2585	0.011	2	108.2585	0.000	2	108.5830	0.316	3	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[4,6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[4,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[4,6]C[6]H)	110.0610	0.103	6	110.0610	0.011	6	110.0610	0.011	6	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[4x6]HH)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[4x6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[4x6]C[6]H)	108.6845	0.035	2	108.6198	0.159	12	108.6198	0.159	12	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[4x6]HH)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6,6a]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[4x6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[4x6]C[6]H)	108.6069	0.440	10	108.6198	0.159	12	108.6198	0.159	12	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,5,6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]HH)(H)2{2|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,5,6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[5,5,6]C[6]H)	107.9705	1.341	2	107.9705	1.799	2	107.9705	1.799	2	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]2C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]2C[6])(C[6]C[6,6a]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[5,5,6]C[6]H)	108.9160	0.047	2	108.9160	0.002	2	109.4075	0.071	17	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6,6a]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[5,5,6]C[6]H)	109.7645	0.071	2	109.6710	0.014	6	109.4075	0.071	17	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6,6a]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2{1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[5,5,6]C[6]H)	109.6243	0.112	4	109.6710	0.014	6	109.4075	0.071	17	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]N[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5]N[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[5,5,6]C[6]H)	109.2410	0.030	2	109.2852	0.016	5	109.4075	0.071	17	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]N[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5]N[5])(C[6]C[6,6a]HH)(H)2{2|H<1>,3|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[5,5,6]C[6]H)	109.3147	0.171	3	109.2852	0.016	5	109.4075	0.071	17	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5,5,6]C[6]H)	109.4780	0.020	2	109.4780	0.000	2	109.4075	0.071	17	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{2|H<1>,3|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2{3|C<3>,3|C<4>}	H(C[6]C[5,5,6]C[6]H)	109.3435	0.036	2	109.3435	0.001	2	109.4075	0.071	17	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6,6]C[5,6a]2)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,5,6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6,6]C[5,6a]2)(C[6]N[6,6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|C<3>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,5,6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,5,6]C[6]H)	109.0795	0.036	2	109.0795	0.001	2	109.3260	0.082	4	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5,6a]2)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,5,6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5,6a]2)(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,5|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,5,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[5,5,6]C[6]H)	109.5725	0.013	2	109.5725	0.000	2	109.3260	0.082	4	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5a,6]HH)(H)2{1|C<3>,2|C<4>,2|N<3>,5|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.9490	0.157	2	108.9490	0.025	2	108.9490	0.025	2	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	109.9690	0.004	2	109.9690	0.000	2	109.5341	0.071	11	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6,6a]HH)(H)2{1|N<3>,2|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.2485	0.023	2	109.2485	0.001	2	109.5341	0.071	11	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6a]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[5,6,6]C[6]H)	109.3800	0.041	2	109.3800	0.002	2	109.5341	0.071	11	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.5360	0.175	5	109.5360	0.031	5	109.5341	0.071	11	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[5,6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>,3|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5,6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.3055	0.019	4	109.3055	0.000	4	109.3055	0.000	4	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,3x6]C[5,6a]C[6,6a])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,3x6]C[5,6a]C[6,6a])(C[6]N[6,6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|C<3>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6,6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6,6]C[6]H)	109.2920	0.017	2	109.2920	0.000	2	109.4053	0.108	7	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6,6]HH)(H)2{1|N<2>,3|C<3>,3|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6,6]HH)(H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6,6]C[6]H)	109.7360	0.030	3	109.4506	0.153	5	109.4053	0.108	7	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6,6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6]H)	109.0225	0.029	2	109.4506	0.153	5	109.4053	0.108	7	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[5,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	107.4990	0.430	2	107.4990	0.185	2	108.8812	0.856	14	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[5,6]HH)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.4320	0.025	2	109.4320	0.001	2	108.8812	0.856	14	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]N[5,6,6]O[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6,6]O[5])(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.2370	0.013	2	109.2370	0.000	2	108.8812	0.856	14	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[5,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.7210	0.283	2	108.7210	0.080	2	108.8812	0.856	14	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	108.4125	1.546	2	109.0932	1.171	6	108.8812	0.856	14	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.5815	0.363	2	109.0932	1.171	6	108.8812	0.856	14	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.2855	1.363	2	109.0932	1.171	6	108.8812	0.856	14	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[5a,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(H)2{1|N<3>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	108.1120	0.343	4	108.1120	0.118	4	108.9505	0.347	16	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5,6]C[6]H)	109.1667	0.231	4	109.1487	0.033	7	108.9505	0.347	16	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.1247	0.138	3	109.1487	0.033	7	108.9505	0.347	16	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5a,6]HH)(H)2{1|N<2>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|O<2>,1|S<2>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.8215	0.015	2	109.8215	0.000	2	108.9505	0.347	16	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[5a,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[6]C[5,6]C[6]H)	108.9495	0.026	2	109.0253	0.018	3	108.9505	0.347	16	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[5a,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.1770	0.000	1	109.0253	0.018	3	108.9505	0.347	16	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[3,5]C[5]O[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5]C[5]O[6])(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.3885	0.033	2	109.3885	0.001	2	109.3021	0.498	57	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.4505	0.056	2	109.4505	0.003	2	109.3021	0.498	57	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2{7|C<4>}	H(C[6]C[5,6]C[6]H)	109.2416	0.185	16	109.2687	0.036	22	109.3021	0.498	57	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2{1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.1820	0.091	3	109.2687	0.036	22	109.3021	0.498	57	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2{7|C<4>}	H(C[6]C[5,6]C[6]H)	109.3750	0.000	1	109.2687	0.036	22	109.3021	0.498	57	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2{1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.5625	0.005	2	109.2687	0.036	22	109.3021	0.498	57	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{7|C<4>}	H(C[6]C[5,6]C[6]H)	109.7115	0.762	2	109.7115	0.580	2	109.3021	0.498	57	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|Fe<10>,1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	110.8990	2.428	2	110.8990	5.896	2	109.3021	0.498	57	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	110.3340	0.051	2	110.3340	0.003	2	109.3021	0.498	57	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.5770	0.000	1	109.5770	0.000	1	109.3021	0.498	57	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]H)	108.5745	0.147	8	108.5745	0.022	8	109.3021	0.498	57	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3393	0.050	4	109.3393	0.002	4	109.3021	0.498	57	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	108.9615	0.019	2	108.9615	0.000	2	109.3021	0.498	57	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.2170	0.044	4	109.3290	0.924	10	109.3021	0.498	57	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2{3|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.3130	1.836	2	109.3290	0.924	10	109.3021	0.498	57	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.4490	1.269	4	109.3290	0.924	10	109.3021	0.498	57	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6a]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6a]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	108.8290	0.000	1	108.8290	0.000	1	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	108.8399	0.240	11	108.8399	0.058	11	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]HH)(H)2{2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	108.8421	0.268	8	108.8421	0.072	8	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.4290	0.000	1	109.4290	0.000	1	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.5420	0.000	1	109.5420	0.000	1	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[5,6]HH)(H)2{2|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.2867	0.114	4	109.2867	0.013	4	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(H)2{2|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.6975	0.029	2	109.2767	0.236	4	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(H)2{3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.8560	0.017	2	109.2767	0.236	4	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(H)2{2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.5620	0.000	1	108.5620	0.000	1	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.1105	2.443	2	109.1105	5.969	2	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	110.0370	0.059	2	109.7371	0.198	56	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.1790	0.054	2	109.7371	0.198	56	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.7167	0.134	4	109.7371	0.198	56	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.5650	0.017	2	109.7371	0.198	56	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.9325	0.083	6	109.7371	0.198	56	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.6038	0.171	8	109.7371	0.198	56	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.4545	0.023	2	109.7371	0.198	56	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2275	0.005	2	109.7371	0.198	56	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.4485	0.009	2	109.7371	0.198	56	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3200	0.010	2	109.7371	0.198	56	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.6635	0.037	4	109.7371	0.198	56	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.8900	0.013	2	109.7371	0.198	56	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2377	0.050	4	109.7371	0.198	56	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.7382	0.292	6	109.7371	0.198	56	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3775	0.026	2	109.7371	0.198	56	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2900	0.017	2	109.7371	0.198	56	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.7085	0.043	2	109.7371	0.198	56	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.4795	0.023	2	109.7371	0.198	56	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.6463	0.063	4	109.6463	0.004	4	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[6a]P[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[6a]P[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|P<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.5370	0.056	4	109.5370	0.003	4	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6,6a]HH)(H)2{3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<2>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5,6]C[6]H)	109.6430	0.017	2	109.6430	0.000	2	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.9125	0.037	2	109.7041	0.029	8	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.5970	0.033	2	109.7041	0.029	8	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6a]HH)(H)2{1|S<3>,1|S<4>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.6535	0.166	4	109.7041	0.029	8	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.4421	0.067	7	109.7377	0.149	16	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.7880	0.000	1	109.7377	0.149	16	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.9900	0.394	8	109.7377	0.149	16	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.2700	0.016	2	109.6110	0.131	6	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HH)(H)2{1|N<3>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.5085	0.032	2	109.6110	0.131	6	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	110.0545	0.069	2	109.6110	0.131	6	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|Br<1>,1|O<2>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.4480	0.033	2	109.4480	0.001	2	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.4300	0.010	2	109.4278	0.360	15	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.0700	0.016	2	109.4278	0.360	15	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,1|O<1>,1|S<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.1950	0.088	4	109.4278	0.360	15	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.6420	0.000	1	109.4278	0.360	15	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2{1|O<2>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.2982	0.032	4	109.4278	0.360	15	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2{2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	110.4010	1.594	2	109.4278	0.360	15	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.0560	0.047	2	109.3037	0.028	8	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6,6a]HH)(H)2{1|N<2>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.3683	0.093	4	109.3037	0.028	8	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6,6a]HH)(H)2{1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.4225	0.009	2	109.3037	0.028	8	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.2920	0.031	2	109.4232	0.076	6	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.2040	0.013	2	109.4232	0.076	6	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(H)2{1|N<3>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.7735	0.025	2	109.4232	0.076	6	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.1382	0.044	4	109.1382	0.002	4	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.3505	0.077	13	109.4193	0.014	22	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6,6a]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.5187	0.101	9	109.4193	0.014	22	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.6390	0.000	1	109.6390	0.000	1	109.4862	0.235	187	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	N[3x6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[3x6]C[5]N[5])(C[6]N[3x6]HH)(H)2	C[6](N[3x6]C[4x6]C[6,6])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3x6]C[5]N[5])(C[6]N[3x6]HH)(H)2{1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6](N[3x6]C[4x6]C[6,6])(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.0510	0.041	2	109.0510	0.002	2	109.0510	0.002	2	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]N[5,6]HH)(H)2{5|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	108.9934	0.109	5	108.9934	0.012	5	109.1470	0.022	15	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]N[5,6]HH)(H)2{5|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.3550	0.021	2	109.3550	0.000	2	109.1470	0.022	15	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]N[5,6]HH)(H)2{1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.1690	0.058	2	109.1690	0.003	2	109.1470	0.022	15	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5,6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[5,6]HH)(H)2{1|H<1>,1|S<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.1517	0.063	4	109.1517	0.004	4	109.1470	0.022	15	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.2915	0.012	2	109.2915	0.000	2	109.1470	0.022	15	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5a,6]HH)(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5a,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.6820	0.361	3	109.6820	0.130	3	109.4136	0.200	5	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]N[5a,6]HH)(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]N[5a,6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.0110	0.011	2	109.0110	0.000	2	109.4136	0.200	5	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]N[6,6]HH)(H)2{5|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.3290	0.069	4	109.3290	0.005	4	109.2536	0.031	10	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]N[6,6]HH)(H)2{1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.4575	0.018	2	109.4575	0.000	2	109.2536	0.031	10	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.0763	0.109	4	109.0763	0.012	4	109.2536	0.031	10	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,2|N<2>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.4543	0.208	4	109.4543	0.043	4	109.4543	0.043	4	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1805	0.033	2	109.1920	0.001	6	109.1969	0.074	35	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1977	0.024	4	109.1920	0.001	6	109.1969	0.074	35	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9600	0.000	1	108.9600	0.000	1	109.1969	0.074	35	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{7|C<4>}	H(C[6]C[6,6]C[6]H)	108.7565	0.090	2	108.7565	0.008	2	109.1969	0.074	35	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]N[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8505	0.015	2	108.9010	0.004	4	109.1969	0.074	35	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]N[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6,6]HH)(H)2{3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9515	0.042	2	108.9010	0.004	4	109.1969	0.074	35	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3665	0.032	2	109.3629	0.009	8	109.1969	0.074	35	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.3912	0.132	4	109.3629	0.009	8	109.1969	0.074	35	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{3|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.3025	0.016	2	109.3629	0.009	8	109.1969	0.074	35	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.4721	0.229	8	109.4721	0.052	8	109.1969	0.074	35	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[5,6]HH)(H)2{2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9515	0.009	2	108.9515	0.000	2	109.1969	0.074	35	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2425	0.015	2	109.0203	0.066	4	109.1969	0.074	35	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]HH)(H)2{5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.7980	0.028	2	109.0203	0.066	4	109.1969	0.074	35	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5a,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|S<2>,3|C<4>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.7172	0.033	4	109.7172	0.001	4	109.2988	0.501	28	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5a,6]HH)(H)2{1|C<2>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.4815	0.052	2	109.4815	0.003	2	109.2988	0.501	28	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5a,6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)2{1|S<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.7467	0.028	6	108.7467	0.001	6	109.2988	0.501	28	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5a,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7110	0.006	2	108.7110	0.000	2	109.2988	0.501	28	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	110.2735	1.360	4	110.2735	1.850	4	109.2988	0.501	28	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.1820	0.104	4	109.1820	0.011	4	109.2988	0.501	28	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|N<3>}	H(C[6]C[6,6]C[6]H)	109.4930	0.129	2	109.4930	0.017	2	109.2988	0.501	28	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5a,6]HH)(H)2{4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.7165	0.097	2	108.7165	0.009	2	109.2988	0.501	28	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[5a,6]HH)(H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|N<2>}	H(C[6]C[6,6]C[6]H)	109.1960	0.028	2	109.1960	0.001	2	109.2988	0.501	28	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]FH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(F)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]FH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(F)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.5105	0.005	2	109.5105	0.000	2	109.5105	0.000	2	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	107.3547	0.617	3	107.3547	0.381	3	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.4740	0.000	1	109.4740	0.000	1	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,4|C<4>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.7210	1.174	2	108.7210	1.378	2	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|C<3>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.5955	0.052	2	109.5955	0.003	2	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|Br<1>,1|C<3>,1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8850	0.393	4	109.2574	0.601	266	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|F<1>,1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9104	0.438	14	109.2574	0.601	266	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3355	0.016	2	109.2574	0.601	266	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1990	0.016	2	109.2574	0.601	266	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9305	0.257	2	109.2574	0.601	266	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3989	0.310	113	109.2574	0.601	266	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2571	1.045	31	109.2574	0.601	266	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2180	0.000	1	109.2574	0.601	266	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>,2|N<2>}	H(C[6]C[6,6]C[6]H)	109.2895	0.009	2	109.2574	0.601	266	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9346	1.131	44	109.2574	0.601	266	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.3485	0.052	4	109.2574	0.601	266	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3495	1.146	4	109.2574	0.601	266	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0781	0.149	11	109.2574	0.601	266	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|F<1>,1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.3060	0.051	3	109.2574	0.601	266	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5680	2.488	2	109.2574	0.601	266	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.4445	0.060	2	109.2574	0.601	266	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.8490	0.007	2	109.2574	0.601	266	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1157	0.138	11	109.2574	0.601	266	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	110.0515	0.032	2	109.2574	0.601	266	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0938	0.034	4	109.2574	0.601	266	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.3480	0.008	2	109.2574	0.601	266	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	112.2905	2.891	2	109.2574	0.601	266	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4840	2.891	2	109.2574	0.601	266	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.4840	0.110	2	109.4840	0.012	2	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0395	0.011	2	109.1104	0.035	10	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2320	0.096	6	109.1104	0.035	10	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8165	0.023	2	109.1104	0.035	10	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0825	0.060	2	109.0825	0.004	2	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6]HH)(H)2{3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1137	0.080	4	109.1137	0.006	4	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3210	0.000	1	109.5814	0.059	26	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0435	0.018	2	109.5814	0.059	26	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.7720	0.076	5	109.5814	0.059	26	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.6472	0.182	12	109.5814	0.059	26	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.3893	0.030	4	109.5814	0.059	26	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|C<3>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.7630	0.038	2	109.5814	0.059	26	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.6115	0.016	2	109.6115	0.000	2	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.8400	0.014	2	109.6421	0.041	40	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3468	0.061	4	109.6421	0.041	40	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4480	0.048	2	109.6421	0.041	40	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.6524	0.157	15	109.6421	0.041	40	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.8130	0.017	2	109.6421	0.041	40	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.8555	0.008	2	109.6421	0.041	40	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.6614	0.217	13	109.6421	0.041	40	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.5490	0.000	1	109.5490	0.000	1	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.6285	0.019	4	109.6285	0.000	4	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2{1|C<2>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|O<2>,4|C<3>}	H(C[6]C[6,6]C[6]H)	110.5035	3.549	2	109.5227	1.524	11	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.4503	0.139	3	109.5227	1.524	11	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.4420	0.025	2	109.5227	1.524	11	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1270	0.097	4	109.5227	1.524	11	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	110.7350	1.447	2	110.7350	2.093	2	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.6587	0.036	3	109.6587	0.001	3	109.3244	0.547	381	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[4,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{3|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.5660	0.000	1	109.5660	0.000	1	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.5770	0.088	2	109.5770	0.008	2	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0620	0.034	2	109.0620	0.001	2	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.5995	0.169	6	109.5993	0.865	258	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.7055	0.025	2	109.5993	0.865	258	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.6948	0.234	6	109.5993	0.865	258	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.6495	0.067	2	109.5993	0.865	258	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.3657	0.138	11	109.5993	0.865	258	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.5967	0.986	227	109.5993	0.865	258	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,5|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	110.1545	0.037	2	109.5993	0.865	258	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6]C[6]H)	110.1785	0.040	2	109.5993	0.865	258	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.7405	0.021	2	109.7405	0.000	2	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.2815	0.037	2	109.3953	0.040	3	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.6230	0.000	1	109.3953	0.040	3	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6a]HH)(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9065	0.039	2	108.9157	0.003	7	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(H)2{2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.9194	0.066	5	108.9157	0.003	7	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.8750	2.069	2	109.5792	0.420	41	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.5078	0.048	4	109.5792	0.420	41	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0737	0.831	11	109.5792	0.420	41	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2{2|C<3>,5|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.7055	0.080	4	109.5792	0.420	41	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2{2|C<3>,5|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.9134	0.262	14	109.5792	0.420	41	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2{3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.5553	0.112	4	109.5792	0.420	41	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2{3|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.6625	0.013	2	109.5792	0.420	41	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2{2|C<3>,5|C<4>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.7307	0.052	6	109.7307	0.003	6	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6,6a]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.0175	0.009	2	109.0175	0.000	2	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.1105	0.026	2	109.0817	0.001	4	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.0620	0.000	1	109.0817	0.001	4	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.0440	0.000	1	109.0817	0.001	4	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(H)2{2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.1933	0.094	4	109.1933	0.009	4	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{3|C<3>,4|C<4>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.0505	0.042	2	109.0505	0.002	2	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|C<2>,2|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.5620	0.042	2	109.5667	0.561	211	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.7893	0.091	4	109.5667	0.561	211	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.4589	0.394	25	109.5667	0.561	211	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.7234	0.051	7	109.5667	0.561	211	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.5465	0.012	2	109.5667	0.561	211	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.7510	0.018	2	109.5667	0.561	211	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0655	0.049	4	109.5667	0.561	211	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.8692	0.094	4	109.5667	0.561	211	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	106.0955	0.049	2	109.5667	0.561	211	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.5730	0.031	2	109.5667	0.561	211	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.5959	0.164	10	109.5667	0.561	211	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|N<2>,2|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.8065	0.037	2	109.5667	0.561	211	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.4205	3.232	2	109.5667	0.561	211	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.4775	0.009	2	109.5667	0.561	211	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.7920	0.023	4	109.5667	0.561	211	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|O<2>,2|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.8940	0.034	2	109.5667	0.561	211	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.6225	0.013	2	109.5667	0.561	211	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|O<2>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.6665	0.008	2	109.5667	0.561	211	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.5360	0.000	1	109.5667	0.561	211	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.5451	0.568	12	109.5667	0.561	211	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,5|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.6603	0.138	8	109.5667	0.561	211	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,5|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.6150	1.080	51	109.5667	0.561	211	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.7625	0.374	2	109.5667	0.561	211	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.7527	0.794	3	109.5667	0.561	211	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{3|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.9715	0.008	2	109.5667	0.561	211	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{3|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.7820	0.000	1	109.5667	0.561	211	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{3|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.7204	0.307	49	109.5667	0.561	211	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{3|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.8300	0.027	2	109.5667	0.561	211	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,5|C<4>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.5892	0.096	4	109.5892	0.009	4	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.4140	0.038	2	109.4140	0.001	2	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.4200	0.000	1	109.4200	0.000	1	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6a]HH)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.1505	0.012	2	109.1505	0.000	2	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.3230	0.124	3	109.2238	0.026	5	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.0750	0.008	2	109.2238	0.026	5	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]HH)(H)2{1|O<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]HH)(H)2{1|O<2>,5|C<3>}	H(C[6]C[6,6]C[6]H)	111.5170	1.611	2	111.5170	2.595	2	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.2200	0.016	2	109.2855	0.004	6	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.3525	0.018	2	109.2855	0.004	6	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.2840	0.016	2	109.2855	0.004	6	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.3272	0.021	4	109.3272	0.000	4	109.5614	0.660	571	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.3480	0.018	2	108.3480	0.000	2	108.7705	0.116	6	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6,6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8850	0.034	2	108.8850	0.001	2	108.7705	0.116	6	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.0785	0.069	2	109.0785	0.005	2	108.7705	0.116	6	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]N[5,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.7175	0.091	2	109.7175	0.008	2	109.2497	0.171	18	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6]C)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6,6]C)(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0700	0.068	4	109.0700	0.005	4	109.2497	0.171	18	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5600	0.014	2	109.5600	0.000	2	109.2497	0.171	18	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[5,6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0620	0.025	2	109.0620	0.001	2	109.2497	0.171	18	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5940	0.017	2	109.3337	0.618	4	109.2497	0.171	18	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0735	1.258	2	109.3337	0.618	4	109.2497	0.171	18	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0503	0.063	4	109.0503	0.004	4	109.2497	0.171	18	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]HH)(H)2	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	107.4390	4.429	2	107.4390	19.619	2	107.4390	19.619	2	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.7655	3.191	2	109.7655	10.184	2	108.4215	5.816	4	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(H)2{1|Pd<4>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6,6]C[6]H)	107.0775	0.196	2	107.0775	0.038	2	108.4215	5.816	4	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.1495	0.015	2	109.0525	0.416	20	109.0525	0.416	20	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2{1|C<4>,1|H<1>,1|O<2>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	108.9823	0.086	4	109.0525	0.416	20	109.0525	0.416	20	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2{1|C<4>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.6000	0.056	4	109.0525	0.416	20	109.0525	0.416	20	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2{1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.5760	0.013	2	109.0525	0.416	20	109.0525	0.416	20	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2{1|H<1>,1|O<2>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.4105	0.064	4	109.0525	0.416	20	109.0525	0.416	20	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.9595	0.053	2	109.0525	0.416	20	109.0525	0.416	20	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.8550	2.176	2	109.0525	0.416	20	109.0525	0.416	20	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Br)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]BrH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Br)(H){2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]BrH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2Br)	107.7735	0.132	2	107.7735	0.017	2	107.7735	0.017	2	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6,6a]-3:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]BrH)(C[6]C[6]BrH)(Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(Br)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6,6a]BrH)(C[6]C[6]BrH)(Br)(H){1|Br<1>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(Br)(H){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2Br)	109.5125	0.916	2	109.5125	0.839	2	109.5125	0.839	2	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(Br)(H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]BrH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(Br)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]BrH)(H)2{2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6]2Br)	107.7330	0.000	1	107.7330	0.000	1	107.5785	0.048	2	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(Br)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(H)2{2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6]2Br)	107.4240	0.000	1	107.4240	0.000	1	107.5785	0.048	2	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6,6a]-3:C[6]-4:H-1:O-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]BrH)(Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(H)(O)	H(C[6]C[6]2Br)	C[6](C[6]C[6,6a]HO)(C[6]C[6]BrH)(Br)(H){1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(H)(O){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2Br)	108.8025	0.378	2	108.8025	0.143	2	108.8025	0.143	2	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	N[4,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(Br)(H)	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]BrH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]BrH)(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2Br)	108.8280	0.000	1	108.8280	0.000	1	108.8280	0.000	1	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-3:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]ClH)(C[6]O[6]CC)(Cl)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(Cl)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6,6]ClH)(C[6]O[6]CC)(Cl)(H){2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(Cl)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2Cl)	109.8200	0.000	1	109.8200	0.000	1	109.8200	0.000	1	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2Cl)	108.9740	0.000	1	108.7572	0.026	6	108.6642	0.069	12	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2Cl)	108.7138	0.133	5	108.7572	0.026	6	108.6642	0.069	12	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Cl)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Cl)(H){2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2Cl)	108.5010	0.000	1	108.5712	0.106	6	108.6642	0.069	12	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Cl)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Cl)(H){2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2Cl)	108.5693	0.320	3	108.5712	0.106	6	108.6642	0.069	12	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Cl)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Cl)(H){2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2{1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2Cl)	108.6090	0.561	2	108.5712	0.106	6	108.6642	0.069	12	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6,6a]-3:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]ClH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(Cl)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6,6a]ClH)(C[6]C[6]HH)(Cl)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(Cl)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2Cl)	109.3480	0.000	1	109.3480	0.000	1	109.4170	0.010	2	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6,6a]-3:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]ClH)(C[6]C[6]HO)(Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(Cl)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6,6a]ClH)(C[6]C[6]HO)(Cl)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(Cl)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2Cl)	109.4860	0.000	1	109.4860	0.000	1	109.4170	0.010	2	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(Cl)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(H)2{2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6]2Cl)	108.8030	0.000	1	108.8030	0.000	1	108.8030	0.000	1	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	N[4,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(Cl)(H)	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]ClH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(Cl)(H){2|Cl<1>,1|C<3>,1|C<4>}	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]ClH)(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2Cl)	108.8240	0.000	1	108.8240	0.000	1	108.8240	0.000	1	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	N[5,6]-3:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]ClH)(C[6]C[6]ClH)(Cl)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]ClH)(Cl)(H)	H(C[6]C[6]2Cl)	C[6](C[6]N[5,6]ClH)(C[6]C[6]ClH)(Cl)(H){3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]ClH)(Cl)(H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6]2Cl)	109.2690	0.000	1	109.2690	0.000	1	109.2690	0.000	1	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(Cl)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]ClH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(Cl)(H){4|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]ClH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2Cl)	109.2180	0.365	2	109.2180	0.133	2	109.2180	0.133	2	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:D-1:H-1:	C[5,6]-3:C[6]-4:D-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]DH)(C[6]C[6]DH)(D)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]DH)(D)(H)	H(C[6]C[6]2D)	C[6](C[6]C[5,6]DH)(C[6]C[6]DH)(D)(H){1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]DH)(D)(H){1|Ge<4>,1|D<1>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2D)	109.2620	0.000	1	109.2620	0.000	1	109.2620	0.000	1	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:D-1:H-1:	C[6]-3:C[6]-4:D-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]DH)(C[6]C[6]DH)(D)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]DH)(D)(H)	H(C[6]C[6]2D)	C[6](C[6]C[5,6]DH)(C[6]C[6]DH)(D)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]DH)(D)(H){1|Ge<4>,1|C<3>,1|D<1>,1|H<1>}	H(C[6]C[6]2D)	109.2540	0.000	1	109.2540	0.000	1	109.2540	0.000	1	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(F)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]FH)(H)2	H(C[6]C[6]2F)	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(F)(H){2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]FH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2F)	109.4770	0.000	1	109.4770	0.000	1	109.4770	0.000	1	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(F)(H)	C[6](N[6]C[6,6]S)(C[6]C[6]FH)(H)2	H(C[6]C[6]2F)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(F)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6](N[6]C[6,6]S)(C[6]C[6]FH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2F)	109.0260	0.000	1	109.0260	0.000	1	109.0260	0.000	1	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]CC)(H)2	C[6](C[3x6]C[3x6]C[4x6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[3x6]C[3x6]C[4x6])(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6]2H)	109.0760	0.018	2	109.0760	0.000	2	109.3040	0.039	8	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[3x6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3750	0.024	2	109.3750	0.001	2	109.3040	0.039	8	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2005	0.029	2	109.3825	0.045	4	109.3040	0.039	8	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.5645	0.032	2	109.3825	0.045	4	109.3040	0.039	8	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6065	0.037	2	109.6645	0.005	4	109.5362	0.043	6	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.7225	0.019	2	109.6645	0.005	4	109.5362	0.043	6	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2795	0.043	2	109.2795	0.002	2	109.5362	0.043	6	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1305	0.008	2	109.1855	0.003	6	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1975	0.049	2	109.1855	0.003	6	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<4>,2|C<3>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.2285	0.018	2	109.1855	0.003	6	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C[6](C[5,6]C[5,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]2)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6]2H)	108.8710	0.000	1	108.8710	0.000	1	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|C<2>,1|C<3>,1|C<4>,1|O<2>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6]2H)	108.6520	0.006	2	108.6935	0.002	4	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,4|C<4>}	H(C[6]C[6]2H)	108.7350	0.020	2	108.6935	0.002	4	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	110.1805	0.600	2	110.1805	0.360	2	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	112.6795	7.257	2	112.6795	52.665	2	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	107.1560	1.225	2	107.1560	1.500	2	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2025	0.040	2	109.2025	0.002	2	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{1|Fe<10>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.0860	0.269	3	109.0860	0.073	3	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2540	0.000	1	109.2540	0.000	1	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6,6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[5,6]C[5,6,6]N[5])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	106.3165	1.996	2	106.3165	3.985	2	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]2)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.8470	0.000	1	109.8470	0.000	1	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1185	0.396	4	109.0549	0.601	198	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.2495	0.036	2	109.0549	0.601	198	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,4|H<1>}	H(C[6]C[6]2H)	109.3705	0.028	2	109.0549	0.601	198	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8666	0.531	8	109.0549	0.601	198	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1492	0.132	4	109.0549	0.601	198	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1785	0.049	2	109.0549	0.601	198	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,1|S<4>,3|H<1>}	H(C[6]C[6]2H)	109.1530	2.728	2	109.0549	0.601	198	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2710	0.000	1	109.0549	0.601	198	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.2782	0.060	4	109.0549	0.601	198	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5873	1.807	6	109.0549	0.601	198	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2440	0.017	2	109.0549	0.601	198	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1702	0.094	4	109.0549	0.601	198	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1645	0.213	4	109.0549	0.601	198	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.9720	0.030	2	109.0549	0.601	198	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.0890	0.013	2	109.0549	0.601	198	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2977	0.219	4	109.0549	0.601	198	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Br<1>,1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.3598	0.038	4	109.0549	0.601	198	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6985	0.202	2	109.0549	0.601	198	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.6082	0.637	19	109.0549	0.601	198	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	106.9005	0.005	2	109.0549	0.601	198	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	107.1960	0.000	1	109.0549	0.601	198	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.4720	0.928	5	109.0549	0.601	198	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.8091	0.671	19	109.0549	0.601	198	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4088	0.566	56	109.0549	0.601	198	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<5>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4842	0.186	6	109.0549	0.601	198	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.7715	1.497	2	109.0549	0.601	198	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.3065	0.217	2	109.0549	0.601	198	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2585	0.021	2	109.0549	0.601	198	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.0953	0.919	7	109.0549	0.601	198	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0165	0.442	2	109.0549	0.601	198	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Se<2>,1|B<3>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4510	0.098	4	109.0549	0.601	198	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Se<2>,1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2320	0.017	2	109.0549	0.601	198	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Se<2>,1|C<3>,1|C<4>,1|I<1>,2|H<1>}	H(C[6]C[6]2H)	109.2720	0.014	2	109.0549	0.601	198	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Se<2>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.7725	0.018	2	109.0549	0.601	198	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Se<4>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.5285	0.039	2	109.0549	0.601	198	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	107.4405	0.336	2	109.0549	0.601	198	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|S<2>,3|H<1>}	H(C[6]C[6]2H)	109.6665	0.005	2	109.0549	0.601	198	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|P<2>,1|P<3>,2|H<1>}	H(C[6]C[6]2H)	109.4793	0.023	4	109.3226	0.021	12	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,2|P<2>}	H(C[6]C[6]2H)	109.2442	0.109	8	109.3226	0.021	12	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2414	0.087	5	108.5785	0.763	43	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	106.7773	0.194	3	108.5785	0.763	43	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2110	0.000	1	108.5785	0.763	43	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.2648	0.821	19	108.5785	0.763	43	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2755	0.045	2	108.5785	0.763	43	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	108.8274	0.427	7	108.5785	0.763	43	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3355	0.044	4	108.5785	0.763	43	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2040	0.054	2	108.5785	0.763	43	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5826	1.103	14	108.7320	0.993	24	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2230	0.091	7	108.7320	0.993	24	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.2837	1.480	3	108.7320	0.993	24	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|P<2>,2|H<1>}	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.1700	0.028	6	109.1997	0.004	8	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|P<3>,2|H<1>}	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2{1|Sn<3>,1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.2890	0.004	2	109.1997	0.004	8	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	108.5242	1.520	23	108.5181	2.120	25	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>}	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6]2H)	108.4480	0.078	2	108.5181	2.120	25	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Se<2>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<2>}	H(C[6]C[6]2H)	109.3297	0.049	4	109.2185	0.108	13	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Se<2>,1|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1690	0.389	9	109.2185	0.108	13	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.5983	0.676	6	108.5983	0.457	6	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5640	0.017	4	109.5640	0.000	4	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7280	0.010	4	109.7127	0.006	9	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]HH)(H)2{1|Si<5>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7004	0.103	5	109.7127	0.006	9	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6a]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[5,6]N[5,6a]C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.5627	0.545	3	108.5627	0.297	3	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]Se[5,5]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Se<4>,1|C<3>,2|H<1>}	C[6](C[5,6]Se[5,5]C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.6015	0.015	2	109.6015	0.000	2	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<4>,2|C<3>}	H(C[6]C[6]2H)	108.6035	0.047	2	108.6035	0.002	2	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6,6]HH)(H)2{1|C<4>,2|C<3>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1985	0.043	2	109.1985	0.002	2	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]CH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|S<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	111.3465	1.365	2	111.3465	1.864	2	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3525	0.064	6	109.3525	0.004	6	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	110.0193	0.661	11	109.9769	0.419	12	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5110	0.000	1	109.9769	0.419	12	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{2|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1387	0.099	3	109.1387	0.010	3	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5a,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[5,6]HH)(H)2{3|C<3>}	C[6](C[5,6]C[5,5a,6]C[5])(C[6]C[6]HH)(H)2{1|Se<3>,1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.6800	0.260	3	108.6800	0.068	3	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2{3|C<3>}	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.8115	0.015	2	108.8115	0.000	2	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|H<1>,1|P<4>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.3945	0.009	2	109.3945	0.000	2	109.0219	0.977	407	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[5,6]CH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[5,6]CH)(H)2{1|N<3>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6]2H)	109.1740	0.035	2	109.1740	0.001	2	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[5,6]HH)(H)2	C[6](C[5a,6]C[5,5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[5,6]HH)(H)2{3|C<3>}	C[6](C[5a,6]C[5,5a,6]C[5a])(C[6]C[6]HH)(H)2{1|Se<3>,1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.7670	0.294	4	108.7670	0.086	4	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9840	0.021	2	108.9840	0.000	2	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.7120	0.013	3	108.8754	0.050	5	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1205	0.022	2	108.8754	0.050	5	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.6670	0.023	2	108.5340	0.025	4	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>}	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	108.4010	0.052	2	108.5340	0.025	4	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[5a,6]C[5a,6,6]S[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[5a,6]C[5a,6,6]S[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0240	0.020	2	109.0240	0.000	2	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HO)(H)2	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HO)(H)2{1|C<4>,3|C<3>}	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	108.1112	0.042	4	108.1112	0.002	4	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(H)2	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(H)2{3|C<3>}	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.4096	0.334	16	108.4096	0.111	16	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]HH)(H)2	C[6](C[5a,6]C[5a,6,6a]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]HH)(H)2{1|N<2>,2|C<3>}	C[6](C[5a,6]C[5a,6,6a]N[5a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.4005	1.531	2	108.4005	2.344	2	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CC)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	108.9255	0.894	2	108.9255	0.800	2	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CC)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|H<1>,2|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|S<4>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	108.9285	0.021	2	108.9285	0.000	2	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CC)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.9930	0.020	2	108.9930	0.000	2	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.1960	0.021	2	109.1052	0.009	5	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0447	0.070	3	109.1052	0.009	5	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.4675	0.344	2	109.9600	4.200	4	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,1|S<2>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	111.4525	1.890	2	109.9600	4.200	4	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]2H)	108.9002	0.359	4	109.1116	0.097	10	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6]2H)	109.2925	0.240	4	109.1116	0.097	10	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.1725	0.025	2	109.1116	0.097	10	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CO)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	105.2895	0.978	2	105.2895	0.956	2	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]FH)(H)2	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]FH)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.3820	0.008	2	109.3820	0.000	2	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2514	0.172	23	109.2514	0.030	23	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1555	0.052	2	109.0293	0.936	136	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<2>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.6395	0.069	2	109.0293	0.936	136	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2710	0.021	2	109.0293	0.936	136	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0240	0.054	2	109.0293	0.936	136	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|B<3>,1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	109.3607	0.041	4	109.0293	0.936	136	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	108.7622	0.544	26	109.0293	0.936	136	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|I<1>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.4404	0.127	8	109.0293	0.936	136	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4186	0.382	7	109.0293	0.936	136	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.1020	0.058	2	109.0293	0.936	136	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6760	0.018	2	109.0293	0.936	136	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4795	0.023	2	109.0293	0.936	136	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.8261	2.237	16	109.0293	0.936	136	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.0323	0.222	3	109.0293	0.936	136	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9660	0.021	2	109.0293	0.936	136	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.6949	0.643	50	109.0293	0.936	136	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3750	0.006	2	109.0293	0.936	136	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|Br<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2470	0.023	2	109.0293	0.936	136	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1720	0.007	2	109.0293	0.936	136	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5,5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[5a,6]C[5a,6]N[5,5a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.9660	0.378	8	108.7413	0.286	15	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5,5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5,5a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1167	0.122	3	108.7413	0.286	15	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5,5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5,5a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.0105	0.039	4	108.7413	0.286	15	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0595	0.005	2	108.6863	3.747	57	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	106.5815	0.021	2	108.6863	3.747	57	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.6680	0.016	2	108.6863	3.747	57	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.2393	0.164	3	108.6863	3.747	57	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.0085	0.011	2	108.6863	3.747	57	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.2332	0.359	4	108.6863	3.747	57	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	107.4525	0.011	2	108.6863	3.747	57	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.9900	0.016	3	108.6863	3.747	57	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	104.2240	2.114	2	108.6863	3.747	57	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.2553	0.318	4	108.6863	3.747	57	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6]2H)	105.5975	11.046	2	108.6863	3.747	57	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|S<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4665	0.013	2	108.6863	3.747	57	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2141	0.110	18	108.6863	3.747	57	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.7480	0.420	2	108.6863	3.747	57	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9352	0.246	5	108.6863	3.747	57	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.1685	0.011	2	108.6863	3.747	57	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2845	0.005	2	109.1679	0.260	21	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1115	0.006	2	109.1679	0.260	21	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0706	0.801	8	109.1679	0.260	21	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.9435	0.012	2	109.1679	0.260	21	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0970	0.136	3	109.1679	0.260	21	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4977	0.051	4	109.1679	0.260	21	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.5920	0.024	2	108.9340	0.553	105	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9212	0.745	103	108.9340	0.553	105	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2380	0.124	3	109.0380	0.246	84	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4480	0.006	2	109.0380	0.246	84	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.6990	0.007	2	109.0380	0.246	84	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.2406	0.231	14	109.0380	0.246	84	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9748	0.462	21	109.0380	0.246	84	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2370	0.030	4	109.0380	0.246	84	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.8630	0.646	30	109.0380	0.246	84	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.2574	0.244	5	109.0380	0.246	84	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4060	0.096	3	109.0380	0.246	84	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]N[5a,5a]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]N[5a,5a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0935	0.049	2	109.0935	0.002	2	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0785	0.022	2	109.0785	0.000	2	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2975	1.383	6	109.2975	1.913	6	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.7650	0.013	2	108.7650	0.000	2	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HN)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4880	0.030	2	109.3267	0.197	10	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HN)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2864	0.493	8	109.3267	0.197	10	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HO)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	109.8535	0.032	2	109.8535	0.001	2	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HO)(H)2	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,1|S<2>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	110.0385	0.050	2	110.0385	0.003	2	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]N[6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,2|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5350	0.143	6	109.5350	0.020	6	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]S[6]HH)(H)2	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]S[6]HH)(H)2{1|C<3>,1|S<2>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2{1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9980	0.000	1	108.9980	0.000	1	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]S[6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]S[6]HH)(H)2{2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|S<2>}	H(C[6]C[6]2H)	108.7260	0.007	2	108.7260	0.000	2	108.9641	0.942	546	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<4>,2|C<3>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2140	0.008	2	109.2140	0.000	2	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4288	0.067	4	109.4288	0.004	4	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	110.1340	0.000	1	110.1340	0.000	1	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6]2H)	109.3650	0.030	2	109.1342	0.024	12	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6]2H)	108.8875	0.023	2	109.1342	0.024	12	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6]2H)	109.1381	0.071	8	109.1342	0.024	12	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|N<3>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.6442	0.191	6	108.6442	0.037	6	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.1393	0.290	10	109.1393	0.084	10	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|H<1>,6|C<4>}	H(C[6]C[6]2H)	109.6460	0.676	2	109.6460	0.457	2	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|H<1>,6|C<4>}	H(C[6]C[6]2H)	109.3500	0.041	3	109.3500	0.002	3	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.1216	1.536	5	109.7714	0.705	16	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3915	0.023	2	109.7714	0.705	16	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5550	0.028	2	109.7714	0.705	16	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4780	0.000	1	109.7714	0.705	16	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.7730	0.050	4	109.7714	0.705	16	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.6360	0.054	2	109.7714	0.705	16	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.3085	0.006	2	109.3085	0.000	2	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3430	0.000	1	109.3430	0.000	1	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.8910	0.041	2	109.8910	0.002	2	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3440	0.023	2	109.3720	0.002	4	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4000	0.051	2	109.3720	0.002	4	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.7780	0.007	2	109.7780	0.000	2	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|P<4>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2785	0.035	2	109.6313	0.086	6	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.8077	0.136	4	109.6313	0.086	6	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5a,6]N[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6]C[5a,6]N[6,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6055	0.069	2	109.6055	0.005	2	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4360	0.000	1	108.6954	2.834	10	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.4210	0.485	4	108.6954	2.834	10	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5960	0.000	1	108.6954	2.834	10	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.8500	3.691	2	108.6954	2.834	10	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.2690	0.023	2	108.6954	2.834	10	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3745	0.005	2	109.3035	0.523	215	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5470	0.000	1	109.3035	0.523	215	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.7930	0.018	2	109.3035	0.523	215	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6415	0.015	2	109.3035	0.523	215	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6235	0.016	2	109.3035	0.523	215	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Al<4>,1|Si<4>,1|P<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.0108	0.072	4	109.3035	0.523	215	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|B<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8215	0.047	2	109.3035	0.523	215	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Br<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.2620	0.083	2	109.3035	0.523	215	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.8165	0.073	2	109.3035	0.523	215	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2457	0.261	6	109.3035	0.523	215	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4765	0.016	2	109.3035	0.523	215	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.6667	0.059	4	109.3035	0.523	215	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|P<4>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1677	0.029	3	109.3035	0.523	215	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4887	0.155	7	109.3035	0.523	215	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9155	1.068	13	109.3035	0.523	215	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5360	0.000	1	109.3035	0.523	215	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.8935	0.025	2	109.3035	0.523	215	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5591	0.225	14	109.3035	0.523	215	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.6693	0.186	3	109.3035	0.523	215	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5226	0.133	7	109.3035	0.523	215	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7670	0.025	2	109.3035	0.523	215	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7270	0.016	2	109.3035	0.523	215	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.2065	0.021	2	109.3035	0.523	215	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.7597	0.091	4	109.3035	0.523	215	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.5275	0.006	2	109.3035	0.523	215	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4455	0.025	2	109.3035	0.523	215	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<4>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4102	0.155	12	109.3035	0.523	215	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<3>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.2028	0.447	4	109.3035	0.523	215	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|P<4>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	110.5930	1.735	2	109.3035	0.523	215	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3920	0.000	1	109.3035	0.523	215	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.7535	0.019	2	109.3035	0.523	215	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.1431	0.757	49	109.3035	0.523	215	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.2690	0.053	4	109.3035	0.523	215	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.7525	0.169	4	109.3035	0.523	215	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.8300	0.024	2	109.3035	0.523	215	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.6240	0.611	9	109.3035	0.523	215	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.4446	0.128	7	109.3035	0.523	215	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7040	0.004	2	109.3035	0.523	215	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5655	0.029	2	109.3035	0.523	215	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5225	0.013	2	109.3035	0.523	215	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2214	0.999	18	109.3035	0.523	215	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6]N[5,6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5200	0.028	4	109.5200	0.001	4	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4073	0.302	4	109.4073	0.091	4	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6540	0.027	2	109.3135	0.392	105	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3507	0.064	3	109.3135	0.392	105	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.3243	0.947	7	109.3135	0.392	105	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4542	0.226	16	109.3135	0.392	105	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.3796	0.911	27	109.3135	0.392	105	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2776	0.138	22	109.3135	0.392	105	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4000	0.004	2	109.3135	0.392	105	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6220	0.024	2	109.3135	0.392	105	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1980	0.099	3	109.3135	0.392	105	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.8460	0.018	2	109.3135	0.392	105	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|Ge<2>,1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7250	0.000	1	109.3135	0.392	105	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|Ge<3>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2282	0.055	6	109.3135	0.392	105	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|Ir<6>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0225	0.009	2	109.3135	0.392	105	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|Li<4>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4990	1.030	4	109.3135	0.392	105	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3975	0.133	4	109.3135	0.392	105	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8035	0.076	2	109.3135	0.392	105	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2781	0.473	37	109.3331	0.247	95	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3565	0.518	56	109.3331	0.247	95	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.6960	0.006	2	109.3331	0.247	95	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.9098	0.192	4	109.8258	0.039	6	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6580	0.042	2	109.8258	0.039	6	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.9890	0.021	2	109.9890	0.000	2	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.9037	0.116	3	109.9037	0.013	3	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|N<3>,2|N<2>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	109.6095	0.035	2	109.6095	0.001	2	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.7670	0.006	2	109.5420	0.032	6	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<4>,3|C<3>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.4635	0.006	2	109.5420	0.032	6	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.3955	0.043	2	109.5420	0.032	6	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[6]2H)	109.4930	0.033	2	109.4930	0.001	2	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3970	0.054	2	109.4515	0.005	4	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.5060	0.016	2	109.4515	0.005	4	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,2|C<4>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5450	0.067	4	109.6052	0.006	10	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<4>,2|C<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.6453	0.059	6	109.6052	0.006	10	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2{1|Al<4>,1|Zr<7>,1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Zr<7>,1|C<3>,1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2070	0.305	4	109.2070	0.093	4	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>,3|C<4>}	H(C[6]C[6]2H)	109.7287	0.022	4	109.7287	0.000	4	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.4645	0.029	2	109.6917	1.419	10	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.4025	1.927	2	109.6917	1.419	10	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.1972	1.038	6	109.6917	1.419	10	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.0740	0.010	2	109.1065	0.004	6	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.1350	0.008	2	109.1065	0.004	6	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.1105	0.128	2	109.1065	0.004	6	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.3305	0.037	2	109.3305	0.001	2	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7085	0.016	2	109.7085	0.000	2	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.6180	0.014	2	109.4848	0.028	6	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5645	0.019	2	109.4848	0.028	6	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2720	0.013	2	109.4848	0.028	6	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(H)2{1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.8990	4.651	2	109.8990	21.635	2	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]SeH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]SeH)(H)2{2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Se<2>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.5190	0.041	2	109.5190	0.002	2	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.6175	0.109	8	109.3945	0.116	12	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<4>,2|C<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.9485	0.038	4	109.3945	0.116	12	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[3x6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6,6]C[3x6]N[6])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9125	0.042	2	108.9125	0.002	2	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6,6]HH)(H)2{1|Ru<5>,1|N<3>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.5535	0.037	2	109.5535	0.001	2	109.3481	0.458	597	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]BrH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]BrH)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(Br)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5497	0.199	6	109.5497	0.040	6	109.5497	0.040	6	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]ClH)(C[6]O[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]ClH)(C[6]O[6]CH)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(Cl)(H){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.6070	0.037	2	109.6070	0.001	2	109.6070	0.001	2	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3]O[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3]O[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.8875	0.026	2	109.8875	0.001	2	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]BrH)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]BrH)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	110.0155	0.021	2	110.3332	0.703	4	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]BrH)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]BrH)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	110.6510	1.305	2	110.3332	0.703	4	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]ClH)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]ClH)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.9710	0.000	1	109.7873	2.999	3	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]ClH)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]ClH)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6955	2.439	2	109.7873	2.999	3	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]F)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]F)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.1945	0.037	2	109.1945	0.001	2	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6,6a]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0505	0.012	2	109.1000	0.007	3	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6,6a]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1990	0.000	1	109.1000	0.007	3	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]O[6]C)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]O[6]C)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.4560	0.014	2	109.4560	0.000	2	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]HH)(H)2{1|N<2>,2|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2265	0.360	2	109.2265	0.130	2	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.4695	0.034	4	109.4695	0.001	4	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	108.9255	0.006	2	108.9255	0.000	2	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6,6a]HH)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	108.5870	0.007	2	108.5870	0.000	2	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6]2H)	109.1600	0.023	2	109.3570	0.147	4	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.5540	0.533	2	109.3570	0.147	4	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[3,6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[3,6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.7690	0.041	2	109.7690	0.002	2	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[3x6]HH)(H)2	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[3x6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.4290	0.013	2	109.6123	0.205	19	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[3x6]HH)(H)2	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[3x6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.8120	0.078	15	109.6123	0.205	19	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[3x6]HH)(H)2	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[3x6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2975	0.033	2	109.6123	0.205	19	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[4,6]FH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[4,6]FH)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|F<1>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.4925	0.029	2	109.4925	0.001	2	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[4,6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[4,6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.9060	0.016	2	109.9060	0.000	2	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]CH)(H)2	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.2025	0.025	2	108.2025	0.001	2	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]CH)(H)2{1|C<4>,1|S<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6690	1.042	2	109.6690	1.086	2	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.8555	0.069	2	108.7484	0.035	7	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.3400	0.000	1	108.7484	0.035	7	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.7575	0.016	2	108.7484	0.035	7	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2{3|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.8365	0.036	2	108.7484	0.035	7	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6975	0.046	2	109.7687	0.017	11	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2{1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6060	0.000	1	109.7687	0.017	11	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.8069	0.132	8	109.7687	0.017	11	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HI)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HI)(H)2{2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|I<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.5515	0.257	2	108.5515	0.066	2	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HO)(H)2	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HO)(H)2{1|O<2>,3|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.7228	0.058	4	108.7228	0.003	4	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HO)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5530	0.057	2	109.5530	0.003	2	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]CH)(H)2{1|C<4>,1|S<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.0065	1.094	2	110.0065	1.197	2	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6095	0.050	2	109.2361	0.181	13	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3590	0.208	3	109.2361	0.181	13	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.8090	0.014	2	109.2361	0.181	13	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.8592	0.224	6	109.2361	0.181	13	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	110.0845	0.560	6	109.9909	0.255	8	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2{2|C<3>,2|S<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.7100	0.064	2	109.9909	0.255	8	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]2C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]2C)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	109.0325	0.029	2	109.0325	0.001	2	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.6922	0.149	13	109.6922	0.022	13	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]BrH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]BrH)(H)2{1|H<1>,1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3255	0.071	2	109.1488	0.024	13	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]BrH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]BrH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1167	0.143	11	109.1488	0.024	13	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.0862	0.337	20	109.0699	0.092	26	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	108.8555	0.056	2	109.0699	0.092	26	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.1855	0.042	2	109.0699	0.092	26	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<2>,2|C<3>}	H(C[6]C[6]2H)	109.0060	0.044	2	109.0699	0.092	26	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|N<2>,1|O<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>}	H(C[6]C[6]2H)	108.7842	0.074	5	108.7842	0.005	5	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2{2|C<4>,4|C<3>}	H(C[6]C[6]2H)	108.8110	0.044	2	108.8110	0.002	2	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CF)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CF)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.2152	0.039	4	109.2152	0.002	4	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0537	0.054	3	109.1470	5.115	76	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2800	0.018	2	109.1470	5.115	76	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	110.1065	1.228	2	109.1470	5.115	76	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8520	1.194	6	109.1470	5.115	76	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8530	1.723	2	109.1470	5.115	76	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.4492	2.437	10	109.1470	5.115	76	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.6795	0.609	13	109.1470	5.115	76	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	109.0865	0.025	2	109.1470	5.115	76	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.1495	3.029	34	109.1470	5.115	76	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.4200	0.016	2	109.1470	5.115	76	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.6075	0.008	2	109.6075	0.000	2	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CN)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CN)(H)2{1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.1690	0.006	2	110.6303	5.145	8	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CN)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CN)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]2H)	109.6455	0.008	2	110.6303	5.145	8	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CN)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CN)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<4>,3|C<3>}	H(C[6]C[6]2H)	114.2560	0.853	2	110.6303	5.145	8	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CN)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CN)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6]2H)	109.4505	0.005	2	110.6303	5.145	8	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2{1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	109.2527	0.218	4	109.2344	0.045	15	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	109.2926	0.184	9	109.2344	0.045	15	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.9360	0.069	2	109.2344	0.045	15	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CS)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CS)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|S<2>,4|C<3>}	H(C[6]C[6]2H)	109.2460	0.047	2	109.2460	0.002	2	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]Cl2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]Cl2)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|Cl<1>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.0563	0.233	6	109.0563	0.054	6	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClC)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.2585	0.008	2	109.3803	0.025	4	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClC)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.5020	0.120	2	109.3803	0.025	4	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(H)2{1|Cl<1>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2690	0.004	2	109.4026	0.365	8	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	110.2850	0.392	2	109.4026	0.365	8	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0282	0.288	4	109.4026	0.365	8	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]FH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]FH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7288	0.174	6	109.8513	0.074	8	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]FH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]FH)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|F<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	110.2185	0.101	2	109.8513	0.074	8	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6020	0.072	2	109.1843	0.499	6	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.5985	0.139	2	109.1843	0.499	6	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.3525	0.630	2	109.1843	0.499	6	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.4115	0.075	4	109.4207	0.089	9	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.6870	0.042	2	109.4207	0.089	9	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0805	0.534	2	109.4207	0.089	9	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6050	0.000	1	109.4207	0.089	9	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7777	0.306	4	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2995	0.035	2	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.9633	0.694	20	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4585	0.009	2	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.8415	0.016	2	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.5459	0.635	7	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	110.0395	0.015	2	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6028	0.295	10	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	109.6720	0.011	2	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6648	0.142	38	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2175	0.005	2	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	112.7850	9.543	2	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	109.5138	0.833	8	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5875	0.123	11	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.7858	0.041	5	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	109.7530	0.016	2	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6937	0.033	4	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6548	0.451	24	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6323	0.059	6	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	109.6570	0.065	2	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.3125	0.576	2	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.4780	0.031	2	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.7720	0.051	2	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4844	0.602	19	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|B<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.9950	0.023	2	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.7597	0.020	4	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.7770	0.007	2	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|B<4>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	107.9850	0.007	2	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2602	0.414	4	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.5205	0.083	4	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	109.8859	0.916	15	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4972	0.037	6	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.7190	0.000	1	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5950	0.040	2	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2776	1.013	14	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0705	0.630	11	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	107.7725	0.122	2	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5860	0.023	2	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2958	0.787	68	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.3403	0.508	47	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.3860	0.000	1	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.2360	0.020	2	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.0324	1.289	7	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.4640	0.166	6	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4005	0.025	2	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4639	0.626	15	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.8220	0.000	1	109.5171	0.692	400	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|O<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.8250	1.392	10	109.3691	1.421	64	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	110.4052	1.534	6	109.3691	1.421	64	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.8868	1.630	4	109.3691	1.421	64	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5241	0.686	30	109.3691	1.421	64	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.7575	0.074	2	109.3691	1.421	64	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.3508	1.697	4	109.3691	1.421	64	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6505	0.016	2	109.3691	1.421	64	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5757	1.448	6	109.3691	1.421	64	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.5154	0.031	5	109.5154	0.001	5	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.4940	0.298	4	109.8266	0.554	10	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	110.0483	0.892	6	109.8266	0.554	10	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3640	1.049	10	109.3640	1.101	10	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2{1|C<2>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.8680	0.027	2	110.3448	1.367	9	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5385	0.029	2	110.3448	1.367	9	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.8377	0.042	3	110.3448	1.367	9	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<4>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	112.3885	0.223	2	110.3448	1.367	9	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2{1|N<3>,2|N<2>}	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]2H)	109.9900	0.000	1	109.9900	0.000	1	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	108.5775	0.054	2	109.1190	0.393	4	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.6605	0.059	2	109.1190	0.393	4	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.8580	0.000	1	109.6494	0.068	5	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2{1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.8060	0.017	2	109.6494	0.068	5	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5370	0.000	1	109.6494	0.068	5	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.2400	0.000	1	109.6494	0.068	5	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.0015	1.302	2	109.0015	1.695	2	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HP)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HP)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6080	0.024	2	109.6248	0.001	4	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HP)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HP)(H)2{1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6415	0.011	2	109.6248	0.001	4	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(H)2{1|F<1>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5825	0.025	2	109.7047	0.020	4	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(H)2{1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.8270	0.000	2	109.7047	0.020	4	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]N[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]N[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.0102	1.414	4	108.7252	2.426	6	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]N[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]N[6]H)(H)2{1|N<3>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	110.1550	0.042	2	108.7252	2.426	6	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]O[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]O[6]H)(H)2{1|Cr<9>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.8240	0.033	2	109.8240	0.001	2	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]SeC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]SeC)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Se<2>,1|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.8015	0.045	4	109.8015	0.002	4	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[3x6]HH)(H)2	C[6](C[6,6a]C[3x6,6a]C[6a,6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[3x6]HH)(H)2{1|C<5>,2|C<3>}	C[6](C[6,6a]C[3x6,6a]C[6a,6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	111.3740	3.179	2	111.3740	10.107	2	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[5,6]CH)(H)2	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[5,6]CH)(H)2{1|C<4>,2|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3210	0.136	4	109.3210	0.019	4	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[5,6]HH)(H)2	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[5,6]HH)(H)2{1|P<4>,2|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3345	0.030	2	109.0195	0.062	6	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[5,6]HH)(H)2	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[5,6]HH)(H)2{3|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.8620	0.066	4	109.0195	0.062	6	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[5]O[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[5]O[6]H)(H)2{1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.8992	0.864	4	109.8992	0.747	4	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[5a,6]HH)(H)2	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[5a,6]HH)(H)2{3|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.9000	0.000	1	109.3822	1.857	15	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[5a,6]HH)(H)2	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[5a,6]HH)(H)2{3|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.6590	0.023	2	109.3822	1.857	15	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[5a,6]HH)(H)2	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[5a,6]HH)(H)2{3|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.5429	1.490	12	109.3822	1.857	15	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6,6]HH)(H)2	C[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6,6]HH)(H)2{1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7580	0.244	8	109.7580	0.060	8	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6,6]HH)(H)2	C[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6,6]HH)(H)2{1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3581	1.233	38	109.3581	1.519	38	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6,6]HH)(H)2	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6,6]HH)(H)2{1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4380	0.403	21	109.5250	0.860	118	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6,6]HH)(H)2	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6,6]HH)(H)2{1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.5439	1.006	97	109.5250	0.860	118	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6,6a]HH)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0405	0.042	2	109.4614	0.054	10	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6,6a]HH)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.5666	0.080	8	109.4614	0.054	10	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]CC)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.8880	0.008	2	108.8880	0.000	2	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	110.4880	1.041	2	109.3730	0.198	26	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7195	0.009	2	109.3730	0.198	26	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2{1|P<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3520	0.061	2	109.3730	0.198	26	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	109.1926	0.224	14	109.3730	0.198	26	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3140	0.062	6	109.3730	0.198	26	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.9287	0.165	7	109.9287	0.027	7	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	110.0810	0.000	1	109.5503	0.648	76	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.7362	0.304	10	109.5503	0.648	76	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4920	0.000	1	109.5503	0.648	76	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.5715	0.976	15	109.5503	0.648	76	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.7030	0.024	2	109.5503	0.648	76	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2{1|P<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.5630	0.000	1	109.5503	0.648	76	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2{1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.1331	0.810	8	109.5503	0.648	76	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.5498	0.160	4	109.5503	0.648	76	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.5667	0.945	32	109.5503	0.648	76	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.4720	0.004	2	109.5503	0.648	76	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HO)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2060	0.035	2	109.2060	0.001	2	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	110.3708	1.245	4	110.3708	1.550	4	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.0813	0.050	4	109.4082	0.324	44	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.5347	0.633	14	109.4082	0.324	44	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.1535	0.021	2	109.4082	0.324	44	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.5717	0.881	10	109.4082	0.324	44	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	109.2954	0.183	7	109.4082	0.324	44	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.2941	0.218	7	109.4082	0.324	44	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2{2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2{1|N<2>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.1475	0.056	2	109.1475	0.003	2	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	110.0754	1.560	19	109.9455	2.359	21	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.7115	0.006	2	109.9455	2.359	21	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CO)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|O<2>}	H(C[6]C[6]2H)	109.4275	0.040	2	109.4275	0.002	2	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3365	0.214	6	109.3760	0.038	8	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.4945	0.022	2	109.3760	0.038	8	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]HN)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]HN)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7375	0.006	2	109.7375	0.000	2	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)2(H)2	C[6](C[6,6a]C[6,6a,6a]C[5,6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)2(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[5,6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.5750	0.000	1	109.5675	0.000	2	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)2(H)2	C[6](C[6,6a]C[6,6a,6a]C[5,6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)2(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[5,6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.5600	0.000	1	109.5675	0.000	2	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)2(H)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)2(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6]2H)	110.2505	0.337	4	110.2505	0.114	4	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)2(H)2	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)2(H)2{1|C<3>,2|N<2>}	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5988	0.886	10	109.5988	0.784	10	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(H)2{1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.6890	0.127	2	108.6890	0.016	2	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,2|N<2>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,3|C<3>}	H(C[6]C[6]2H)	109.2675	0.042	2	109.2675	0.002	2	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]F)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]F)(C[6]C[6,6a]HH)(H)2{1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|F<1>,1|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.3445	0.081	4	109.3445	0.007	4	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.4310	0.000	1	109.4233	0.332	11	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.8130	0.014	2	109.4233	0.332	11	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2{1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.6947	0.028	4	109.4233	0.332	11	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	108.2765	0.021	2	109.4233	0.332	11	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6335	0.005	2	109.4233	0.332	11	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.3085	0.305	4	109.3085	0.093	4	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6]2H)	109.0335	0.016	2	109.1880	0.141	6	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]2H)	108.8675	0.013	2	109.1880	0.141	6	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6]2H)	109.6630	0.013	2	109.1880	0.141	6	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(H)2{1|N<2>,1|S<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.6610	0.000	1	109.5067	0.018	3	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(H)2{1|S<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4295	0.012	2	109.5067	0.018	3	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|Fe<10>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.3257	0.167	4	108.3257	0.028	4	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.6813	0.039	4	108.6813	0.002	4	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6a]HH)(H)2{1|Cl<1>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.9840	0.000	1	109.9840	0.000	1	109.4635	0.989	1305	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:O-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)(O){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	96.5482	15.590	2	96.5482	243.048	2	96.5482	243.048	2	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]BrH)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]BrH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(Br)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7820	0.011	2	108.7820	0.000	2	107.9690	1.983	3	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]BrH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]BrH)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(Br)(H){2|C<3>,2|C<4>}	H(C[6]C[6]2H)	106.3430	0.000	1	106.3430	0.000	1	107.9690	1.983	3	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:Cl-1:Cl-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]Cl2)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(Cl)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]Cl2)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(Cl)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1155	0.165	6	109.1155	0.027	6	109.1155	0.027	6	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]FH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(F)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]FH)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(F)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	110.2700	0.089	2	110.2700	0.008	2	110.2700	0.008	2	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0108	1.197	4	109.3302	1.107	6	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.9690	0.110	2	109.3302	1.107	6	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[3,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0303	0.593	6	109.0303	0.351	6	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[3,6]N)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.1495	0.885	2	108.8072	0.838	4	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<4>}	C[6](C[6]C[3,6]N)(C[6]C[6]HH)(H)2{1|C<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4650	0.023	2	108.8072	0.838	4	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.1745	0.422	2	109.2019	0.031	11	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1145	0.021	4	109.2019	0.031	11	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1867	0.022	3	109.2019	0.031	11	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4270	0.011	2	109.2019	0.031	11	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[4x6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[4x6]O)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6]2H)	108.4350	0.000	1	108.4350	0.000	1	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.6178	0.050	8	108.6178	0.002	8	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]Br)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[3x6]Br)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	108.6582	0.052	4	108.6582	0.003	4	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[3x6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9450	0.010	2	108.9450	0.000	2	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[3x6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3885	0.018	2	109.2458	0.017	6	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|O<2>}	C[6](C[6]C[3x6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1745	0.087	4	109.2458	0.017	6	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4x6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[4x6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4465	0.119	4	109.4465	0.014	4	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,3x6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[5,3x6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3205	0.029	2	109.3205	0.001	2	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4860	0.044	2	109.4578	0.002	4	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4295	0.037	2	109.4578	0.002	4	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]C[4,6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0960	0.027	2	109.0960	0.001	2	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,5,6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]C[4,5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6340	0.007	2	109.6340	0.000	2	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,5,5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[4,5,5,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1640	0.699	2	109.1640	0.488	2	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[4,6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	110.7170	0.553	2	110.7170	0.306	2	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1130	0.016	2	109.0022	0.014	5	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0230	0.000	1	109.0022	0.014	5	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8810	0.010	2	109.0022	0.014	5	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[4,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5605	0.016	2	109.5976	1.460	8	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[4,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6100	1.429	6	109.5976	1.460	8	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4x6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[3x6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.4045	0.019	2	109.4045	0.000	2	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]BrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]BrH)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5195	0.360	2	109.5195	0.130	2	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.7940	0.494	2	109.7940	0.244	2	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|N<3>}	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.8840	0.028	2	109.8840	0.001	2	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.2505	0.043	2	108.2505	0.002	2	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6]2H)	109.1655	0.035	2	109.1655	0.001	2	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[5,5,6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5390	0.000	1	109.5390	0.000	1	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9366	0.224	5	108.9366	0.050	5	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2710	0.010	2	109.2710	0.000	2	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7590	0.024	2	109.7837	0.001	4	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|S<3>,3|H<1>}	H(C[6]C[6]2H)	109.8085	0.012	2	109.7837	0.001	4	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3940	0.161	4	109.4622	0.027	6	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5985	0.029	2	109.4622	0.027	6	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7430	0.028	2	108.7430	0.001	2	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2370	0.059	2	109.2370	0.004	2	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[5,5,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>}	H(C[6]C[6]2H)	109.6550	0.103	4	109.6550	0.011	4	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>}	H(C[6]C[6]2H)	109.0760	0.013	2	109.0760	0.000	2	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.7470	0.000	1	108.7470	0.000	1	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.6528	0.170	5	109.6528	0.029	5	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2651	0.605	13	109.1933	0.292	17	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	108.9600	0.045	4	109.1933	0.292	17	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	108.7760	0.006	2	108.7760	0.000	2	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|N<2>,3|C<4>}	C[6](C[6]C[5,6]N)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9485	0.011	2	108.9485	0.000	2	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4390	0.008	2	109.5785	0.020	8	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6250	0.131	6	109.5785	0.020	8	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.5025	0.018	2	109.5025	0.000	2	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[5a]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[5a]2)(C[6]C[6]HH)(H)2{1|H<1>,2|O<2>,5|C<3>}	C[6](C[6]C[5,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|O<2>,3|C<3>}	H(C[6]C[6]2H)	108.5180	0.006	2	108.5180	0.000	2	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.0060	0.044	2	109.0060	0.002	2	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C[6](C[6]C[5,5,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.7147	0.325	6	109.7147	0.106	6	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3693	0.091	6	109.3693	0.008	6	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3250	0.067	4	109.1438	0.192	52	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3260	0.000	1	109.1438	0.192	52	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3234	0.186	14	109.1438	0.192	52	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6425	0.022	2	109.1438	0.192	52	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9952	0.108	18	109.1438	0.192	52	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	108.1587	0.974	4	109.1438	0.192	52	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.0585	0.013	2	109.1438	0.192	52	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Fe<10>,1|C<3>,2|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|Fe<10>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4350	0.011	2	109.1438	0.192	52	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3980	0.011	3	109.1438	0.192	52	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{3|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	109.6565	0.006	2	109.1438	0.192	52	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7755	0.056	2	109.3846	0.455	19	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9195	0.866	2	109.3846	0.455	19	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1980	0.000	1	109.3846	0.455	19	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5864	0.809	8	109.3846	0.455	19	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7765	0.927	2	109.3846	0.455	19	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3690	0.234	4	109.3846	0.455	19	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.7700	0.006	2	109.0499	0.557	58	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.6335	0.037	2	109.0499	0.557	58	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8847	0.550	10	109.0499	0.557	58	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7713	0.946	21	109.0499	0.557	58	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2800	0.034	2	109.0499	0.557	58	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	109.1302	0.501	4	109.0499	0.557	58	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.7205	0.021	2	109.0499	0.557	58	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6040	0.000	1	109.0499	0.557	58	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6225	0.026	2	109.0499	0.557	58	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4453	0.305	7	109.0499	0.557	58	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.3895	1.476	2	109.0499	0.557	58	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9253	0.034	3	109.0499	0.557	58	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3985	2.586	2	109.5590	0.381	23	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5118	0.369	10	109.5590	0.381	23	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|N<3>}	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2785	0.008	2	109.5590	0.381	23	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7094	0.070	9	109.5590	0.381	23	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]S)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,1|S<1>}	C[6](C[6]N[5,6]S)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.4385	0.022	2	108.4385	0.000	2	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	109.1690	0.007	2	109.1690	0.000	2	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.9554	1.146	8	109.9554	1.312	8	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5181	0.286	8	109.5181	0.082	8	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.5830	0.004	2	109.7092	0.043	10	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.6928	0.191	6	109.7092	0.043	10	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.8845	0.325	2	109.7092	0.043	10	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]SS)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]SS)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|S<4>}	H(C[6]C[6]2H)	108.4870	0.025	2	108.4870	0.001	2	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]N[5a,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.1352	0.108	9	109.1352	0.012	9	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{3|C<3>}	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.2437	0.226	6	109.2506	0.037	8	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{3|C<3>}	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.2715	0.030	2	109.2506	0.037	8	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{3|C<3>}	C[6](C[6]C[5a,6]C[5])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.1485	0.004	2	109.1485	0.000	2	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>}	C[6](C[6]C[5a,6]N)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.6415	0.005	2	108.6608	0.001	4	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>}	C[6](C[6]C[5a,6]N)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.6800	0.006	2	108.6608	0.001	4	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.8194	0.833	28	108.9644	0.505	54	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0165	0.771	10	108.9644	0.505	54	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.2528	0.244	13	108.9644	0.505	54	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	108.6920	0.034	2	108.9644	0.505	54	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3020	0.000	1	108.9644	0.505	54	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]S)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|S<1>}	C[6](C[6]C[5a,6]S)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4350	0.004	2	109.4350	0.000	2	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.3850	0.017	2	109.3850	0.000	2	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{4|C<4>}	H(C[6]C[6]2H)	109.1131	0.135	8	109.0864	0.017	10	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	108.9795	0.025	2	109.0864	0.017	10	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6]2H)	108.9365	0.054	2	108.8766	0.172	25	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	108.9378	0.240	10	108.8766	0.172	25	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6]2H)	108.8204	0.542	13	108.8766	0.172	25	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]Br)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6,6]Br)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.7453	0.126	6	109.7453	0.016	6	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3185	0.025	2	109.1938	0.020	6	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1315	0.135	4	109.1938	0.020	6	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.3620	0.016	2	109.3435	0.026	10	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3389	0.182	8	109.3435	0.026	10	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<2>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1345	0.013	2	109.1109	0.062	19	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2045	0.030	2	109.1109	0.062	19	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0250	0.841	2	109.1109	0.062	19	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.0765	0.043	2	109.1109	0.062	19	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.9515	0.039	2	109.1109	0.062	19	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1847	0.233	6	109.1109	0.062	19	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0717	0.060	3	109.1109	0.062	19	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	108.6323	2.103	6	109.3881	2.155	18	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	110.1362	0.953	6	109.3881	2.155	18	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3958	0.800	6	109.3881	2.155	18	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.5450	0.004	2	108.5450	0.000	2	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	109.1550	0.000	1	108.5444	0.080	11	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.4833	0.209	10	108.5444	0.080	11	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.2440	0.129	3	109.2440	0.017	3	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]O)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.3395	0.015	2	109.3395	0.000	2	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2004	0.920	8	109.2772	0.411	16	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3655	0.054	2	109.2772	0.411	16	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|O<2>}	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5115	0.050	2	109.2772	0.411	16	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2698	0.137	4	109.2772	0.411	16	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,2|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.2835	1.842	2	109.3358	0.389	94	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6355	0.074	4	109.3358	0.389	94	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6940	0.013	2	109.3358	0.389	94	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6245	0.021	2	109.3358	0.389	94	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.7810	0.000	1	109.3358	0.389	94	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3350	0.429	30	109.3358	0.389	94	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2759	0.080	9	109.3358	0.389	94	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4445	0.028	2	109.3358	0.389	94	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2567	0.089	12	109.3358	0.389	94	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.4865	0.008	2	109.3358	0.389	94	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.5083	0.315	6	109.3358	0.389	94	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.9485	0.015	2	109.3358	0.389	94	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6330	0.055	2	109.3358	0.389	94	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{3|C<3>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.9639	1.091	18	109.3358	0.389	94	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6402	0.865	12	109.4638	0.571	37	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.4320	0.008	2	109.4638	0.571	37	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5594	0.120	7	109.4638	0.571	37	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5015	0.040	2	109.4638	0.571	37	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.6815	0.006	2	109.4638	0.571	37	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5043	0.090	10	109.4638	0.571	37	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.6455	2.235	2	109.4638	0.571	37	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5690	0.106	2	109.1391	0.561	54	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.5240	0.000	1	109.1391	0.561	54	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<4>}	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4200	0.016	2	109.1391	0.561	54	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>}	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.1430	0.744	49	109.1391	0.561	54	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7795	0.021	2	109.3214	0.230	291	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8580	0.000	1	109.3214	0.230	291	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.5640	0.008	2	109.3214	0.230	291	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1408	0.227	6	109.3214	0.230	291	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.4315	0.204	2	109.3214	0.230	291	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6030	0.000	1	109.3214	0.230	291	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.8155	0.011	2	109.3214	0.230	291	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.6865	0.021	2	109.3214	0.230	291	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6320	0.000	1	109.3214	0.230	291	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3530	0.490	4	109.3214	0.230	291	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3298	0.671	76	109.3214	0.230	291	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1855	0.148	4	109.3214	0.230	291	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3503	0.362	86	109.3214	0.230	291	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	110.3687	0.935	3	109.3214	0.230	291	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7710	0.531	6	109.3214	0.230	291	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0615	0.026	2	109.3214	0.230	291	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3162	0.079	6	109.3214	0.230	291	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1242	0.505	9	109.3214	0.230	291	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1140	0.000	1	109.3214	0.230	291	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4770	0.006	2	109.3214	0.230	291	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.1890	0.028	2	109.3214	0.230	291	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1527	0.059	4	109.3214	0.230	291	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4045	0.264	4	109.3214	0.230	291	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3732	0.155	17	109.3214	0.230	291	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2912	0.192	24	109.3214	0.230	291	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2397	0.179	10	109.3214	0.230	291	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8893	0.161	4	109.3214	0.230	291	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3556	0.199	8	109.3214	0.230	291	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6745	1.115	2	109.9496	0.063	35	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.1360	0.011	2	109.9496	0.063	35	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.9950	0.030	2	109.9496	0.063	35	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.9526	0.157	29	109.9496	0.063	35	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]S)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|S<1>}	C[6](C[6]N[6,6]S)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.2955	0.754	2	108.2955	0.569	2	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5640	0.025	2	108.5640	0.001	2	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[5,6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.2800	0.000	1	109.2800	0.000	1	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	110.0565	0.009	2	109.8890	0.038	4	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7215	0.047	2	109.8890	0.038	4	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<4>}	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2720	3.209	2	109.2720	10.297	2	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.1045	0.006	2	109.3602	0.025	15	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.4863	0.065	7	109.3602	0.025	15	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.3743	0.102	3	109.3602	0.025	15	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2223	0.043	3	109.3602	0.025	15	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.8525	0.107	6	109.8525	0.012	6	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.4695	0.019	2	109.4695	0.000	2	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2{1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.6043	0.404	6	109.6043	0.164	6	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.4578	0.124	5	109.3360	0.082	21	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4330	0.020	2	109.3360	0.082	21	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2786	0.332	14	109.3360	0.082	21	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{3|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.0810	1.663	2	108.0810	2.766	2	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>}	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4736	0.455	24	109.5034	0.168	30	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6227	0.068	6	109.5034	0.168	30	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|O<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.7177	1.399	9	109.3428	0.715	42	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.8265	0.018	2	109.3428	0.715	42	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5428	0.032	5	109.3428	0.715	42	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.4925	0.026	2	109.3428	0.715	42	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4828	0.624	24	109.3428	0.715	42	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.6810	0.153	13	109.6810	0.023	13	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.7072	0.086	13	109.7072	0.007	13	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.2280	0.014	2	109.5625	0.081	6	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.7297	0.150	4	109.5625	0.081	6	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	109.0550	0.013	2	109.0550	0.000	2	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<2>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	110.0930	0.768	2	109.7696	0.253	5	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,4|C<3>}	H(C[6]C[6]2H)	109.4570	0.000	1	109.7696	0.253	5	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.6025	0.244	2	109.7696	0.253	5	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0270	0.099	3	109.0270	0.010	3	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|N<2>,1|S<4>}	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	109.4785	0.030	2	109.4785	0.001	2	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CO)(H)2	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CO)(H)2{1|N<2>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	109.3145	0.134	4	109.3145	0.018	4	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HO)(H)2	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HO)(H)2{1|N<2>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.7275	0.016	2	109.7275	0.000	2	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,1|O<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.4170	0.018	2	109.4170	0.000	2	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.8440	0.024	2	109.7773	0.010	4	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.7105	0.104	2	109.7773	0.010	4	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]S[6]CC)(H)2	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]S[6]CC)(H)2{1|C<3>,1|N<2>,2|O<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|S<4>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.8580	0.031	2	108.8580	0.001	2	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]B[5a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|B<4>,1|C<4>,2|H<1>}	C[6](C[6]B[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4030	0.017	4	109.4030	0.000	4	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[3,5,5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[3,5,5]C[6])(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.8285	1.295	4	108.8285	1.676	4	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	110.9835	0.647	2	110.1885	0.982	4	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3935	0.013	2	110.1885	0.982	4	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[3]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[3]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3629	0.144	7	109.3629	0.021	7	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[4]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[4]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1550	0.000	1	109.2320	0.013	4	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[4]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[4]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	109.2577	0.126	3	109.2320	0.013	4	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[5,6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.7950	2.461	8	109.7950	6.057	8	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6030	0.004	2	108.3932	7.124	6	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5550	0.014	2	108.3932	7.124	6	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	106.0215	4.330	2	108.3932	7.124	6	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2155	0.229	4	109.3171	0.021	28	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1245	0.019	2	109.3171	0.021	28	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3461	0.115	20	109.3171	0.021	28	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4230	0.006	2	109.3171	0.021	28	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,4|H<1>}	H(C[6]C[6]2H)	109.2653	0.050	3	109.2575	0.242	15	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.8575	0.028	2	109.2575	0.242	15	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.2050	0.023	2	109.2575	0.242	15	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	109.0400	0.038	2	109.2575	0.242	15	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4305	0.021	2	109.2575	0.242	15	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3805	0.006	2	109.2575	0.242	15	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6195	0.060	2	109.2575	0.242	15	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3557	0.101	7	109.3557	0.010	7	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3948	0.205	6	109.2860	0.058	26	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2583	0.347	8	109.2860	0.058	26	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5320	0.011	2	109.2860	0.058	26	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|O<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1665	0.126	6	109.2860	0.058	26	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<1>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2348	0.090	4	109.2860	0.058	26	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5170	0.006	2	109.4400	0.008	4	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|C<3>}	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3630	0.020	2	109.4400	0.008	4	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<4>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)2{1|In<4>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3845	0.080	2	109.5542	0.021	6	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<4>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)2{1|In<5>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6970	0.010	2	109.5542	0.021	6	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5810	0.021	2	109.5542	0.021	6	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7200	0.007	2	109.4543	0.140	12	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6115	0.012	2	109.4543	0.140	12	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.3585	0.005	2	109.4543	0.140	12	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.3453	0.503	6	109.4543	0.140	12	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|Rh<8>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.3260	0.000	1	108.3260	0.000	1	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[5a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6420	0.021	2	109.6420	0.000	2	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]C)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]2H)	109.2610	0.536	2	109.2610	0.287	2	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3537	0.169	3	109.3537	0.029	3	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.1290	0.000	1	108.1290	0.000	1	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|N<2>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]2H)	109.3545	0.035	2	109.3545	0.001	2	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(H)2{4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,4|C<3>}	H(C[6]C[6]2H)	109.3025	0.005	2	109.3025	0.000	2	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5440	0.045	2	109.5440	0.002	2	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4357	0.066	4	109.4357	0.004	4	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.3220	0.000	1	109.3220	0.000	1	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5,6]N)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|N<3>}	H(C[6]C[6]2H)	109.3960	0.122	4	109.3960	0.015	4	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>}	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.5860	0.057	3	109.5860	0.003	3	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{3|C<3>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.3725	0.036	2	109.5028	0.015	5	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{3|C<3>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.5897	0.023	3	109.5028	0.015	5	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]Si[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]Si[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(H)2{1|Si<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.4750	1.209	2	108.4750	1.462	2	109.3013	0.412	1438	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[3x6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[3x6]HH)(H)2	C[6](N[3x6]C[4,4,6,6]C[3x6,6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[3x6]HH)(H)2{1|C<5>,2|C<3>}	C[6](N[3x6]C[4,4,6,6]C[3x6,6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2675	3.408	2	109.2675	11.611	2	109.4385	2.340	6	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[3x6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[3x6]HH)(C[6]C[6]HH)(H)2	C[6](N[3x6]C[4x6]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[3x6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[3x6]C[4x6]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5240	0.014	4	109.5240	0.000	4	109.4385	2.340	6	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[4,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0070	0.152	5	109.0070	0.023	5	109.1722	0.387	17	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[4,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2	C[6](N[4,6]C[4,6]S[4])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](N[4,6]C[4,6]S[4])(C[6]C[6]HH)(H)2{2|C<4>,2|O<1>,3|H<1>}	H(C[6]C[6]2H)	109.4315	0.012	2	109.4315	0.000	2	109.1722	0.387	17	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[4,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[4,6]HH)(C[6]N[6,6]HH)(H)2	C[6](N[4,6]C[4,6,6]S[4])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[4,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>}	C[6](N[4,6]C[4,6,6]S[4])(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.5635	1.225	4	109.5635	1.502	4	109.1722	0.387	17	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[4,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[4,6]HH)(C[6]N[6]HH)(H)2	C[6](N[4,6]Ga[4,6]C[4])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[4,6]HH)(C[6]N[6]HH)(H)2{1|Ga<5>,1|C<3>,2|C<4>}	C[6](N[4,6]Ga[4,6]C[4])(C[6]C[6]HH)(H)2{2|Cl<1>,1|C<3>,1|N<3>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	108.5840	0.018	2	108.5840	0.000	2	109.1722	0.387	17	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[4,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[4,6]HH)(C[6]N[6]HH)(H)2	C[6](N[4,6]Nb[5x3,4,6]Si[4])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[4,6]HH)(C[6]N[6]HH)(H)2{1|Nb<10>,1|Si<4>,2|H<1>}	C[6](N[4,6]Nb[5x3,4,6]Si[4])(C[6]C[6]HH)(H)2{3|Cl<1>,1|N<4>,2|H<1>,7|C<4>}	H(C[6]C[6]2H)	109.0955	0.022	2	109.0955	0.000	2	109.1722	0.387	17	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[4,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[4,6]HH)(C[6]S[6]HH)(H)2	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[4,6]HH)(C[6]S[6]HH)(H)2{1|C<3>,1|C<4>}	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	109.2085	0.046	2	109.2085	0.002	2	109.1722	0.387	17	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6,6]HH)(C[6]C[6,6]HH)(H)2	C[6](N[5,6,6]C[5,5,3x6]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6,6]HH)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>}	C[6](N[5,6,6]C[5,5,3x6]C[5,6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.9025	0.015	2	109.9025	0.000	2	109.9025	0.000	2	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[3,5,6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6,6]HH)(C[6]N[5,6]HH)(H)2{1|C<3>,3|C<4>}	C[6](N[5,6]C[3,5,6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	110.1485	1.005	2	110.1485	1.010	2	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[4,5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]N[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](N[5,6]C[4,5,6]C[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5630	0.014	2	109.5630	0.000	2	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]N[5,6]HH)(H)2{4|C<4>}	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.6038	0.218	6	109.6038	0.047	6	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]HH)(H)2{4|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	107.3970	0.252	2	108.7433	1.105	6	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]HH)(H)2{4|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4165	0.091	4	108.7433	1.105	6	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[5,6]HH)(H)2{1|C<3>,3|C<4>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8037	0.030	3	109.8029	0.006	7	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[5,6]HH)(H)2{1|C<3>,3|C<4>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.8023	0.104	4	109.8029	0.006	7	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5780	1.643	2	109.5780	2.700	2	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]N[5,6]HH)(H)2{2|C<3>,2|C<4>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7140	0.027	2	109.7140	0.001	2	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]N[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,4|C<3>}	H(C[6]C[6]2H)	109.5850	0.072	2	109.5850	0.005	2	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2{1|C<3>,3|C<4>}	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.3610	0.000	1	109.3610	0.000	1	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2{1|C<3>,3|C<4>}	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8360	0.000	1	109.9393	0.042	39	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2{1|C<3>,3|C<4>}	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5672	0.355	5	109.9393	0.042	39	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2{1|C<3>,3|C<4>}	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.9951	0.094	31	109.9393	0.042	39	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2{4|C<4>}	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.0550	0.035	2	109.9393	0.042	39	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2{1|C<3>,3|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7070	0.053	4	109.4567	0.093	24	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2{1|C<3>,3|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4760	0.000	1	109.4567	0.093	24	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2{1|O<2>,3|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7030	0.000	1	109.4567	0.093	24	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2{1|O<2>,3|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.1873	0.221	4	109.4567	0.093	24	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2{2|C<3>,2|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4065	0.021	2	109.4567	0.093	24	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2{4|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4494	0.354	12	109.4567	0.093	24	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]N[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1510	0.000	1	109.1510	0.000	1	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]N[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2H)	110.5295	2.300	2	110.5295	5.291	2	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[5,6]HH)(H)2{3|C<3>}	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.8817	0.080	3	108.8817	0.006	3	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6,6a]P[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[5,6]HH)(H)2{1|P<4>,2|C<3>}	C[6](N[5,6]C[5,6,6a]P[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3655	0.086	2	109.3655	0.007	2	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N[5a]H)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]N[5a]H)(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.1460	0.020	2	109.1460	0.000	2	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2540	0.088	5	109.2540	0.008	5	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]CH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2930	0.048	2	109.2930	0.002	2	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]CH)(H)2	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.0206	0.230	7	109.0206	0.053	7	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,5,6]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[5,6]C[5,5,6]C[5,6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4170	0.000	1	109.4170	0.000	1	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,5,6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](N[5,6]C[5,5,6]O[5])(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.6235	0.012	2	109.6235	0.000	2	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.5085	0.009	2	109.4034	0.022	25	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3100	0.004	2	109.4034	0.022	25	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4610	0.058	4	109.4034	0.022	25	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3884	0.171	17	109.4034	0.022	25	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.3525	0.016	2	109.3525	0.000	2	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6,6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](N[5,6]C[5,6,6]N[5])(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.8725	1.034	2	108.8725	1.070	2	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>}	C[6](N[5,6]C[5,6]2)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5320	0.000	1	109.3754	0.017	7	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]2)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3493	0.120	6	109.3754	0.017	7	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|H<1>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	107.3520	1.611	2	109.3276	0.232	55	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.3875	0.040	2	109.3276	0.232	55	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3630	0.000	1	109.3276	0.232	55	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Ir<6>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4960	0.048	2	109.3276	0.232	55	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Rh<6>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4783	0.065	6	109.3276	0.232	55	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3340	0.028	2	109.3276	0.232	55	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.3972	0.066	4	109.3276	0.232	55	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3950	0.021	2	109.3276	0.232	55	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7480	0.069	6	109.3276	0.232	55	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3433	0.081	7	109.3276	0.232	55	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8975	0.243	2	109.3276	0.232	55	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5135	0.015	2	109.3276	0.232	55	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5255	0.025	2	109.3276	0.232	55	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3585	0.019	2	109.3276	0.232	55	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2993	0.080	3	109.3276	0.232	55	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2645	0.095	2	109.3276	0.232	55	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.2585	0.015	2	109.3276	0.232	55	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.3610	0.018	2	109.3276	0.232	55	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4335	0.042	2	109.3276	0.232	55	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1270	0.042	2	109.3276	0.232	55	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.3140	0.074	2	109.4938	0.088	8	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5537	0.324	6	109.4938	0.088	8	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](N[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3668	0.209	6	109.3668	0.044	6	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|H<1>}	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,1|S<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3530	0.126	3	109.3530	0.016	3	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.9413	1.046	3	107.9413	1.095	3	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6a]N[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](N[5,6]C[5,6a]N[5,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.3789	0.361	12	109.3789	0.130	12	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.0607	0.609	4	109.2331	0.132	12	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.5290	0.034	2	109.2331	0.132	12	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|Cu<2>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2020	0.020	2	109.2331	0.132	12	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2730	0.100	4	109.2331	0.132	12	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(H)2{2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6915	2.187	2	108.6915	4.783	2	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]N[6,6]HH)(H)2	C[6](N[5,6]C[5,6,6]B[5,5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]N[6,6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>}	C[6](N[5,6]C[5,6,6]B[5,5])(C[6]C[6]HH)(H)2{1|B<4>,1|C<2>,2|H<1>,3|N<3>}	H(C[6]C[6]2H)	109.7593	0.114	6	109.7623	0.016	20	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]N[6,6]HH)(H)2	C[6](N[5,6]C[5,6,6]B[5,5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]N[6,6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>}	C[6](N[5,6]C[5,6,6]B[5,5])(C[6]C[6]HH)(H)2{1|B<4>,1|O<2>,2|H<1>,3|N<3>}	H(C[6]C[6]2H)	109.8195	0.118	6	109.7623	0.016	20	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]N[6,6]HH)(H)2	C[6](N[5,6]C[5,6,6]B[5,5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]N[6,6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>}	C[6](N[5,6]C[5,6,6]B[5,5])(C[6]C[6]HH)(H)2{1|B<4>,2|H<1>,4|N<3>}	H(C[6]C[6]2H)	109.7216	0.140	8	109.7623	0.016	20	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.3150	0.078	2	109.1679	0.506	20	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6060	0.000	1	109.1679	0.506	20	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.0560	1.088	3	109.1679	0.506	20	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6167	0.020	4	109.1679	0.506	20	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3940	0.000	1	109.1679	0.506	20	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5577	0.271	3	109.1679	0.506	20	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.2915	0.005	2	109.1679	0.506	20	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	109.3410	0.020	2	109.1679	0.506	20	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<2>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5780	0.018	2	109.1679	0.506	20	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|P<4>}	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2{1|Co<7>,1|C<3>,1|N<2>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.6980	0.130	4	109.4876	0.060	8	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{1|Sb<5>,1|C<3>,1|P<3>}	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|N<3>}	H(C[6]C[6]2H)	109.2772	0.077	4	109.4876	0.060	8	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]O[6]CH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5415	0.016	2	109.5415	0.000	2	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2	C[6](N[5,6]C[5,5,6,6]S[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|S<4>}	C[6](N[5,6]C[5,5,6,6]S[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6]2H)	110.3830	1.956	2	110.7470	3.058	4	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2	C[6](N[5,6]C[5,5,6,6]S[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|S<4>}	C[6](N[5,6]C[5,5,6,6]S[5])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,2|O<1>,3|C<4>}	H(C[6]C[6]2H)	111.1110	2.195	2	110.7470	3.058	4	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8165	1.708	2	109.3920	0.870	6	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3490	0.038	2	109.3920	0.870	6	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<6>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	110.0105	0.059	2	109.3920	0.870	6	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8215	0.018	2	109.8215	0.000	2	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2	C[6](N[5,6]P[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|P<4>}	C[6](N[5,6]P[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.4580	0.007	2	109.4580	0.000	2	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(H)2{2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	109.0355	0.006	2	109.0355	0.000	2	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)2(H)2	C[6](N[5,6]C[5,5,6]As[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)2(H)2{1|As<3>,1|C<3>,1|P<3>}	C[6](N[5,6]C[5,5,6]As[5])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.1390	0.085	4	109.1390	0.007	4	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)2(H)2	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)2(H)2{1|C<4>,2|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	109.4980	0.033	2	109.3381	0.021	10	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)2(H)2	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)2(H)2{1|C<4>,2|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	109.5070	0.045	2	109.3381	0.021	10	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)2(H)2	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)2(H)2{1|C<4>,2|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.2285	0.041	6	109.3381	0.021	10	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)2(H)2	C[6](N[5,6]C[5,5,6]P[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)2(H)2{1|As<3>,1|C<3>,1|P<3>}	C[6](N[5,6]C[5,5,6]P[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|N<3>}	H(C[6]C[6]2H)	109.1912	0.047	4	109.1912	0.002	4	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)2(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)2(H)2{1|H<1>,3|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,6|H<1>}	H(C[6]C[6]2H)	109.3077	0.232	12	109.3077	0.054	12	109.4427	0.314	353	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]N[5a,6]HH)(H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]N[5a,6]HH)(H)2{1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.0290	0.013	2	109.0290	0.000	2	108.8492	2.755	65	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[5a,6]HH)(H)2	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[5a,6]HH)(H)2{3|C<3>}	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.7857	0.106	6	108.7857	0.011	6	108.8492	2.755	65	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[5a,6]HH)(H)2	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[5a,6]HH)(H)2{3|C<3>}	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.1250	1.138	6	108.0859	0.931	10	108.8492	2.755	65	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[5a,6]HH)(H)2	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[5a,6]HH)(H)2{3|C<3>}	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.7110	0.006	2	108.0859	0.931	10	108.8492	2.755	65	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[5a,6]HH)(H)2	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[5a,6]HH)(H)2{3|C<3>}	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]2H)	107.3435	0.074	2	108.0859	0.931	10	108.8492	2.755	65	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]N[5a,6]HH)(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]N[5a,6]HH)(H)2{1|O<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,5|C<3>}	H(C[6]C[6]2H)	108.6135	0.015	2	108.6135	0.000	2	108.8492	2.755	65	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]CH)(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	109.1830	0.008	2	109.1830	0.000	2	108.8492	2.755	65	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	105.0070	7.422	2	105.0070	55.082	2	108.8492	2.755	65	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4930	0.030	2	109.3930	0.245	14	108.8492	2.755	65	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.8418	0.158	4	109.3930	0.245	14	108.8492	2.755	65	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.8767	0.237	3	109.3930	0.245	14	108.8492	2.755	65	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7670	0.000	1	109.3930	0.245	14	108.8492	2.755	65	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.9160	0.008	2	109.3930	0.245	14	108.8492	2.755	65	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9600	0.034	2	109.3930	0.245	14	108.8492	2.755	65	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.6145	0.061	4	109.6145	0.004	4	108.8492	2.755	65	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.3770	0.000	1	108.1293	9.653	7	108.8492	2.755	65	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3880	0.011	2	108.1293	9.653	7	108.8492	2.755	65	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	107.1880	4.068	4	108.1293	9.653	7	108.8492	2.755	65	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	109.4791	0.056	7	109.4791	0.003	7	108.8492	2.755	65	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2{1|Co<5>,2|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	109.3790	0.013	2	109.3418	0.002	5	108.8492	2.755	65	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2{2|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|O<1>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	109.3170	0.037	3	109.3418	0.002	5	108.8492	2.755	65	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.6075	0.022	2	109.5083	0.014	4	108.8492	2.755	65	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.4090	0.033	2	109.5083	0.014	4	108.8492	2.755	65	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]N[6,6]HH)(H)2{1|O<2>,3|C<4>}	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6395	0.030	2	109.6395	0.001	2	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6,6]HH)(H)2{1|C<4>,2|C<3>}	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1595	0.005	2	108.8980	0.092	4	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,3|C<4>}	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6365	0.040	2	108.8980	0.092	4	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.0940	0.014	2	109.0940	0.000	2	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,3|C<4>}	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6045	0.042	2	109.6045	0.002	2	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4055	0.054	2	109.5731	0.134	83	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3555	0.069	2	109.5731	0.134	83	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,2|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5502	0.052	5	109.5731	0.134	83	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,3|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5405	0.065	10	109.5731	0.134	83	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,3|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.7263	0.129	3	109.5731	0.134	83	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<4>,2|C<3>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.6420	0.051	7	109.5731	0.134	83	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,3|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8190	0.035	3	109.5731	0.134	83	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,3|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5480	0.016	2	109.5731	0.134	83	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,3|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6040	0.023	4	109.5731	0.134	83	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,3|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3810	0.031	2	109.5731	0.134	83	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,3|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5547	0.128	19	109.5731	0.134	83	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,3|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7567	0.044	4	109.5731	0.134	83	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|O<2>,3|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.7575	0.042	2	109.5731	0.134	83	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{4|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5226	0.760	18	109.5731	0.134	83	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[4,3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,3|C<4>}	C[6](N[6,6]C[4,3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3400	0.000	1	109.3400	0.000	1	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6240	0.052	2	109.2182	0.055	10	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9935	0.008	2	109.2182	0.055	10	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2230	0.020	2	109.2182	0.055	10	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.1252	0.090	4	109.2182	0.055	10	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[5,3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,3|C<4>}	C[6](N[6,6]C[5,3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4115	0.052	2	109.4115	0.003	2	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,4|H<1>}	H(C[6]C[6]2H)	109.3307	0.064	3	109.3888	0.188	11	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4097	0.020	3	109.3888	0.188	11	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0800	0.000	1	109.3888	0.188	11	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<1>,4|H<1>}	H(C[6]C[6]2H)	109.4610	0.018	2	109.3888	0.188	11	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{2|C<4>,2|S<2>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5270	1.308	2	109.3888	0.188	11	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,3|C<4>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6]2H)	109.3517	0.049	4	109.3671	0.002	7	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3877	0.016	3	109.3671	0.002	7	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]N[5]H)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]N[5]H)(C[6]N[6,6]HH)(H)2{1|H<1>,1|N<3>,4|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.1015	0.006	2	109.1015	0.000	2	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]N[6,6]HH)(H)2{1|C<4>,2|C<3>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3207	0.283	19	109.3207	0.080	19	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6,6]HH)(H)2{1|C<4>,2|C<3>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.6151	0.896	157	109.6151	0.802	157	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[4,6]HH)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[4,6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[4,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>}	C[6](N[6,6]C[4,6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	108.5333	0.462	4	108.5333	0.213	4	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[5,3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6,6]HH)(C[6]N[6,6]HH)(H)2{4|C<4>}	C[6](N[6,6]C[5,3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<4>,5|H<1>}	H(C[6]C[6]2H)	109.6651	0.137	8	109.6651	0.019	8	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]N[6,6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>}	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.7653	0.135	16	109.7653	0.018	16	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.3325	0.018	2	109.3325	0.000	2	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[3x6]S[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](N[6,6]C[3x6]S[6])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|N<3>,2|O<1>}	H(C[6]C[6]2H)	109.3070	0.000	1	109.3070	0.000	1	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4190	0.034	4	109.4073	0.008	10	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.3995	0.115	6	109.4073	0.008	10	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|H<1>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.7640	1.532	2	109.4621	0.277	118	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4633	0.050	4	109.4621	0.277	118	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4280	0.000	1	109.4621	0.277	118	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6]C[6]2H)	109.2995	0.005	2	109.4621	0.277	118	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.5215	0.210	2	109.4621	0.277	118	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5824	0.122	27	109.4621	0.277	118	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6330	0.040	2	109.4621	0.277	118	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.7627	1.061	6	109.4621	0.277	118	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4329	1.185	9	109.4621	0.277	118	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Pd<4>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3695	0.056	2	109.4621	0.277	118	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.6080	0.185	5	109.4621	0.277	118	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4290	0.000	1	109.4621	0.277	118	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.6770	0.077	4	109.4621	0.277	118	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5352	0.072	4	109.4621	0.277	118	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.5360	0.040	2	109.4621	0.277	118	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.6681	0.044	13	109.4621	0.277	118	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2725	0.555	24	109.4621	0.277	118	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5263	0.014	3	109.4621	0.277	118	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<2>,1|S<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4265	0.019	2	109.4621	0.277	118	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6097	0.016	3	109.4621	0.277	118	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](N[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5550	0.008	2	109.5550	0.000	2	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]S[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](N[6,6]C[6,6]S[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|O<1>,3|H<1>}	H(C[6]C[6]2H)	109.5440	0.000	1	109.5440	0.000	1	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2687	0.345	4	109.2687	0.119	4	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.5140	0.007	2	109.5574	3.233	14	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.6368	0.066	4	109.5574	3.233	14	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.5450	0.029	4	109.5574	3.233	14	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,1|P<4>,2|H<1>}	H(C[6]C[6]2H)	109.5120	3.740	4	109.5574	3.233	14	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]N[6,6]P[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,1|P<4>,2|H<1>}	C[6](N[6,6]N[6,6]P[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|S<1>,2|H<1>}	H(C[6]C[6]2H)	108.1615	1.575	4	108.1615	2.482	4	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]CH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4885	3.443	2	109.7364	1.145	12	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]CH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.7860	0.258	10	109.7364	1.145	12	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]B[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|B<3>,1|C<4>,1|P<3>}	C[6](N[6,6]B[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.5642	0.054	6	109.6611	0.024	27	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]B[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|B<3>,1|C<4>,1|P<4>}	C[6](N[6,6]B[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.6889	0.164	21	109.6611	0.024	27	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4050	0.014	2	109.4050	0.000	2	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7772	0.159	5	109.7446	0.057	11	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	110.1065	0.026	2	109.7446	0.057	11	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5230	0.015	4	109.7446	0.057	11	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Al<4>,1|C<3>,1|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	110.1621	0.109	8	109.8631	0.539	450	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|B<3>,1|C<3>,1|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.5340	0.011	2	109.8631	0.539	450	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.8745	0.028	2	109.8631	0.539	450	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.7146	0.807	72	109.8631	0.539	450	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|W<6>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	110.3010	1.534	6	109.8631	0.539	450	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.7827	0.417	23	109.8631	0.539	450	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.7081	1.177	49	109.8631	0.539	450	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.8549	0.136	10	109.8631	0.539	450	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	110.0474	0.503	24	109.8631	0.539	450	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Ce<13>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Ce<13>,1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.8110	0.083	3	109.8631	0.539	450	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Cu<2>,1|C<3>,1|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	110.1700	0.822	4	109.8631	0.539	450	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Cu<3>,1|C<3>,1|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.9988	0.043	4	109.8631	0.539	450	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Cu<4>,1|C<3>,1|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.8193	0.047	3	109.8631	0.539	450	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Cu<4>,1|C<3>,1|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.9725	0.073	4	109.8631	0.539	450	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Fe<4>,1|C<3>,1|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	110.3385	0.062	4	109.8631	0.539	450	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.9500	0.031	2	109.8631	0.539	450	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.9450	0.000	1	109.8631	0.539	450	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	110.4645	0.435	2	109.8631	0.539	450	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Ir<6>,1|C<3>,1|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	110.4625	0.080	2	109.8631	0.539	450	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Li<4>,1|C<3>,1|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.1475	0.068	4	109.8631	0.539	450	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Mn<9>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Mn<9>,1|C<4>,1|N<3>,1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.7905	0.005	2	109.8631	0.539	450	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Mo<6>,1|C<3>,1|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.6595	0.012	2	109.8631	0.539	450	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Pd<4>,1|C<3>,1|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.8610	0.102	6	109.8631	0.539	450	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Pd<4>,1|C<3>,1|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	110.0103	0.088	7	109.8631	0.539	450	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Pd<5>,1|C<3>,1|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	110.0655	0.190	11	109.8631	0.539	450	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Re<6>,1|C<3>,1|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.4622	0.605	8	109.8631	0.539	450	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Ru<5>,1|C<3>,1|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.8934	0.277	44	109.8631	0.539	450	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Ru<6>,1|C<3>,1|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.8965	0.113	6	109.8631	0.539	450	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Ru<7>,1|C<3>,1|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.9744	0.589	21	109.8631	0.539	450	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Ru<8>,1|C<3>,1|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	110.0288	0.082	4	109.8631	0.539	450	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Ru<9>,1|C<3>,1|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.9133	0.152	8	109.8631	0.539	450	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.3665	0.021	2	109.8631	0.539	450	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	110.0934	0.436	40	109.8631	0.539	450	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Si<5>,1|C<3>,1|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	110.1887	0.137	3	109.8631	0.539	450	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Sm<14>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Sm<14>,1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	108.2698	1.902	4	109.8631	0.539	450	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Ta<7>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Ta<7>,1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.3777	0.202	3	109.8631	0.539	450	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|U<14>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|U<14>,1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	110.0071	0.445	21	109.8631	0.539	450	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|U<15>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|U<15>,1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	110.0012	2.368	8	109.8631	0.539	450	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Zn<4>,1|C<3>,1|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	110.0218	0.219	9	109.8631	0.539	450	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.7145	0.005	2	109.8631	0.539	450	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6570	0.000	1	109.8631	0.539	450	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{2|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.8140	0.016	2	109.8631	0.539	450	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{2|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|O<1>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	109.1483	0.363	3	109.8631	0.539	450	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{2|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5350	0.018	2	109.8631	0.539	450	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{2|Mn<9>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Mn<9>,1|C<4>,1|N<3>,1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.7990	0.010	2	109.8631	0.539	450	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5855	0.011	2	109.7142	0.016	6	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{2|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<2>}	H(C[6]C[6]2H)	109.7785	0.101	4	109.7142	0.016	6	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]O[6]CH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]O[6]CH)(H)2{2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3155	0.665	4	109.3155	0.443	4	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]O[6]HH)(H)2	C[6](N[6,6]B[5,6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]O[6]HH)(H)2{1|B<4>,1|C<3>}	C[6](N[6,6]B[5,6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.1180	0.000	1	109.1180	0.000	1	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]O[6]HH)(H)2	C[6](N[6,6]B[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]O[6]HH)(H)2{1|B<4>,1|C<3>}	C[6](N[6,6]B[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,3|O<2>}	H(C[6]C[6]2H)	109.4380	0.061	2	109.4380	0.004	2	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]O[6]HH)(H)2	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.9550	0.040	2	109.9550	0.002	2	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]S[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]S[6]HH)(H)2{1|C<3>,1|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	109.2885	0.249	6	109.3019	0.045	8	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]S[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]S[6]HH)(H)2{2|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3420	0.052	2	109.3019	0.045	8	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)2(H)2	C[6](N[6,6]B[5,6,6]C[3x6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)2(H)2{1|B<4>,1|C<3>,1|C<4>}	C[6](N[6,6]B[5,6,6]C[3x6])(C[6]C[6]HH)(H)2{1|O<2>,1|O<3>,2|H<1>,3|N<3>}	H(C[6]C[6]2H)	110.0223	0.073	3	110.0223	0.005	3	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)2(H)2	C[6](N[6,6]B[6,6]C[3x6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)2(H)2{1|B<4>,1|C<3>,1|C<4>}	C[6](N[6,6]B[6,6]C[3x6])(C[6]C[6]HH)(H)2{1|O<2>,1|O<3>,2|H<1>,3|N<3>}	H(C[6]C[6]2H)	110.0685	0.019	2	110.0685	0.000	2	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)2(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)2(H)2{1|B<4>,1|C<3>,1|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.9988	0.079	6	109.7328	0.147	49	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)2(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)2(H)2{1|C<3>,2|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.5413	0.775	8	109.7328	0.147	49	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)2(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)2(H)2{1|C<4>,2|C<3>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.6970	0.016	2	109.7328	0.147	49	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)2(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)2(H)2{1|C<4>,2|C<3>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.7240	0.035	2	109.7328	0.147	49	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)2(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)2(H)2{1|H<1>,3|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3395	0.005	2	109.7328	0.147	49	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)2(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)2(H)2{1|Si<4>,1|C<3>,1|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	110.0500	0.035	2	109.7328	0.147	49	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)2(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)2(H)2{3|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.9313	0.049	7	109.7328	0.147	49	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)2(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)2(H)2{3|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.7705	0.369	8	109.7328	0.147	49	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)2(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)2(H)2{3|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4353	0.022	3	109.7328	0.147	49	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)2(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)2(H)2{4|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.6637	0.067	9	109.7328	0.147	49	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)2(H)2	C[6](N[6,6]C[3x6]Si[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)2(H)2{1|Si<4>,1|C<3>,1|C<4>}	C[6](N[6,6]C[3x6]Si[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	110.0435	0.013	2	110.0435	0.000	2	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)2(H)2	C[6](N[6,6]C[6,6a]C[3x6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)2(H)2{1|C<3>,2|C<4>}	C[6](N[6,6]C[6,6a]C[3x6])(C[6]C[6]HH)(H)2{2|C<3>,2|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4382	0.520	8	109.4382	0.270	8	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)2(H)2	C[6](N[6,6]Ga[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)2(H)2{1|Ga<5>,2|C<3>}	C[6](N[6,6]Ga[3x6]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	108.8710	0.000	1	108.8710	0.000	1	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)2(H)2	C[6](N[6,6]In[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)2(H)2{1|In<5>,2|C<3>}	C[6](N[6,6]In[3x6]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	108.5386	0.074	7	108.5386	0.005	7	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6a]HH)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6a]HH)(C[6]N[6,6]HH)(H)2{3|C<3>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	110.0310	0.013	2	110.0310	0.000	2	109.6689	0.511	1085	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6,6a]HH)(H)2	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6,6a]HH)(H)2{3|C<3>}	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.4725	0.238	10	109.4725	0.057	10	109.3306	0.473	33	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6a]HH)(H)2	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6a]HH)(H)2{2|H<1>,4|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6]2H)	109.4808	0.168	4	109.4808	0.028	4	109.3306	0.473	33	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.9967	0.931	14	108.9967	0.866	14	109.3306	0.473	33	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6a]HH)(C[6]N[6,6]HH)(H)2	C[6](N[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6a]HH)(C[6]N[6,6]HH)(H)2{3|C<3>}	C[6](N[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|S<1>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.9490	0.000	1	109.9490	0.000	1	109.3306	0.473	33	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6a]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6a]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.8890	0.016	2	109.8395	0.004	4	109.3306	0.473	33	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6a]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6a]HH)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7900	0.044	2	109.8395	0.004	4	109.3306	0.473	33	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.0680	0.049	2	109.8368	0.065	5	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4530	0.000	1	109.8368	0.065	5	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2{1|O<2>,3|C<4>}	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.7975	0.025	2	109.8368	0.065	5	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[3x6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](N[6]C[3x6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6050	0.000	1	109.4213	1.545	9	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[3x6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[3x6]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3984	1.327	8	109.4213	1.545	9	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HO)(C[6]N[6]HH)(H)2	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HO)(C[6]N[6]HH)(H)2{4|C<4>}	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2H)	110.0300	0.035	4	110.0300	0.001	4	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,4x6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,4x6]HH)(C[6]N[6]HH)(H)2{4|C<4>}	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1990	0.017	2	109.1990	0.000	2	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5373	1.373	4	109.5373	1.885	4	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>}	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5065	0.011	2	109.5065	0.000	2	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5,6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2{4|C<4>}	C[6](N[6]C[5,6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9860	0.085	4	108.9860	0.007	4	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5,6,6]S)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	C[6](N[6]C[5,6,6]S)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2840	0.013	2	109.2840	0.000	2	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3930	0.000	1	109.3930	0.000	1	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6835	0.026	2	109.8143	0.477	6	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5290	0.031	2	109.8143	0.477	6	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2{4|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.2305	1.356	2	109.8143	0.477	6	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.1565	0.115	4	109.1565	0.013	4	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4853	0.143	4	109.5617	0.026	6	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7145	0.011	2	109.5617	0.026	6	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5,6]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](N[6]C[5,6]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4570	0.000	1	109.4570	0.000	1	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.3675	0.037	2	109.3675	0.001	2	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3755	0.059	6	109.4527	0.045	7	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.9160	0.000	1	109.4527	0.045	7	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]N[6]HH)(H)2	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.9620	0.962	2	107.9620	0.925	2	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]N[6]H)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]N[6]H)(C[6]N[6]HH)(H)2{1|Fe<10>,2|C<4>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.7922	0.221	6	109.7922	0.049	6	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.5246	0.139	5	109.5246	0.019	5	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3780	0.263	3	109.3780	0.069	3	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1135	0.049	2	109.1135	0.002	2	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]S)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]N[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|S<4>}	C[6](N[6]C[6,6]S)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	110.0270	2.804	2	110.0270	7.865	2	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.4895	1.329	2	110.4895	1.765	2	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]S)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[6](N[6]C[6,6]S)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.8800	0.010	2	108.8800	0.000	2	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5,6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](N[6]C[5,6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.0540	0.000	2	109.0540	0.000	2	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5,6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[5,6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2650	0.010	2	109.2650	0.000	2	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2435	0.037	2	109.4913	0.225	39	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2075	1.074	6	109.4913	0.225	39	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3835	0.005	2	109.4913	0.225	39	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.6310	0.004	2	109.4913	0.225	39	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7365	0.042	4	109.4913	0.225	39	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7375	0.098	2	109.4913	0.225	39	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4995	0.026	2	109.4913	0.225	39	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.9003	0.051	7	109.4913	0.225	39	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3575	0.007	4	109.4913	0.225	39	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{4|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2810	0.127	8	109.4913	0.225	39	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4130	0.013	2	109.4130	0.000	2	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.6640	1.107	2	109.3238	2.121	6	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.1538	0.609	4	109.3238	2.121	6	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]P)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|P<3>,2|C<4>}	C[6](N[6]C[6,6]P)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3210	0.021	2	109.3210	0.000	2	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]S)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[6](N[6]C[6,6]S)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5375	0.028	2	109.5375	0.001	2	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.6256	0.098	9	109.6377	0.010	10	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7470	0.000	1	109.6377	0.010	10	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.1063	0.167	3	109.1063	0.028	3	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.1877	0.170	4	109.1877	0.029	4	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.4260	0.000	1	109.4260	0.000	1	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6]C)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6]C)(C[6]N[6]HH)(H)2{1|C<4>,4|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{1|C<2>,3|C<3>}	H(C[6]C[6]2H)	109.2970	0.021	2	109.2970	0.000	2	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]2)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]2)(C[6]N[6]HH)(H)2{1|C<4>,6|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{4|C<3>}	H(C[6]C[6]2H)	109.4260	0.000	1	109.4260	0.000	1	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.5905	0.015	2	109.5905	0.000	2	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6014	0.641	19	109.0281	2.257	46	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2{3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.6246	1.792	27	109.0281	2.257	46	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2{3|C<3>}	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.9360	0.038	4	109.8660	0.013	6	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2{3|C<3>}	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.7260	0.007	2	109.8660	0.013	6	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4052	1.252	20	109.4052	1.569	20	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6a]P)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2{1|P<4>,2|C<3>}	C[6](N[6]C[6,6a]P)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5300	0.000	1	109.5300	0.000	1	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6a]S)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2{1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]S)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0957	0.811	8	109.0957	0.658	8	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9430	0.974	2	108.9430	0.949	2	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2204	0.196	9	109.2204	0.038	9	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2488	0.168	4	109.2046	0.017	8	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1605	0.082	4	109.2046	0.017	8	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3047	0.123	4	109.3214	0.061	22	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.5793	0.178	3	109.3214	0.061	22	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2554	0.273	11	109.3214	0.061	22	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5335	0.042	2	109.3214	0.061	22	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|N<3>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.1190	0.013	2	109.3214	0.061	22	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.8512	0.379	4	109.8512	0.144	4	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6070	0.556	2	109.6070	0.309	2	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[4,5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[4,5]C[6])(C[6]C[6]HH)(H)2{1|B<4>,1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4653	0.065	3	109.4653	0.004	3	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4929	0.182	8	109.5008	0.016	22	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5147	0.086	7	109.5008	0.016	22	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5210	0.112	4	109.5008	0.016	22	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2{1|Sn<5>,1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4627	0.092	3	109.5008	0.016	22	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[4a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[4a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4631	0.064	7	109.4631	0.004	7	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5490	0.205	3	109.5746	0.022	5	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|S<2>,3|C<4>}	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.6130	0.006	2	109.5746	0.022	5	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5407	0.069	6	109.3526	0.157	128	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|B<4>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2875	0.148	4	109.3526	0.157	128	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4690	0.051	4	109.3526	0.157	128	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,4|H<1>}	H(C[6]C[6]2H)	109.4018	0.135	47	109.3526	0.157	128	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.4451	0.116	17	109.3526	0.157	128	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4504	0.175	10	109.3526	0.157	128	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|S<2>,4|H<1>}	H(C[6]C[6]2H)	109.4703	0.346	4	109.3526	0.157	128	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|Fe<10>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4760	0.000	1	109.3526	0.157	128	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4070	0.035	4	109.3526	0.157	128	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4450	0.114	4	109.3526	0.157	128	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|Se<2>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6]2H)	107.2938	0.194	4	109.3526	0.157	128	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3987	0.017	3	109.3526	0.157	128	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|Ti<13>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3814	0.136	8	109.3526	0.157	128	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3931	0.096	12	109.3526	0.157	128	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.4115	0.302	24	109.3904	0.048	79	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,4|H<1>}	H(C[6]C[6]2H)	109.3554	0.137	24	109.3904	0.048	79	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,4|H<1>}	H(C[6]C[6]2H)	109.3657	0.175	27	109.3904	0.048	79	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.6410	0.165	4	109.3904	0.048	79	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2452	0.132	4	109.3409	0.016	10	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4047	0.081	6	109.3409	0.016	10	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5380	0.054	4	109.5380	0.003	4	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]S)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6](N[6]C[6,6]S)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3892	0.168	5	109.3892	0.028	5	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]N[4])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|N<4>,2|H<1>}	C[6](N[6]C[6]N[4])(C[6]C[6]HH)(H)2{2|Ga<4>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4583	0.190	13	109.4583	0.036	13	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]P[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|P<4>,2|H<1>}	C[6](N[6]C[6]P[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<2>,4|H<1>}	H(C[6]C[6]2H)	109.5258	0.063	4	109.4818	0.003	11	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]P[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|P<4>,2|H<1>}	C[6](N[6]C[6]P[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|N<2>,4|H<1>}	H(C[6]C[6]2H)	109.4830	0.020	3	109.4818	0.003	11	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]P[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|P<4>,2|H<1>}	C[6](N[6]C[6]P[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|N<2>,4|H<1>}	H(C[6]C[6]2H)	109.4370	0.043	4	109.4818	0.003	11	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.3403	0.115	12	109.3253	0.214	551	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.3545	0.026	2	109.3253	0.214	551	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6]2H)	109.3818	0.343	124	109.3253	0.214	551	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.3805	0.188	19	109.3253	0.214	551	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2994	0.547	336	109.3253	0.214	551	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<2>,4|H<1>}	H(C[6]C[6]2H)	109.3539	0.139	50	109.3253	0.214	551	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3145	0.005	2	109.3253	0.214	551	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<2>,4|H<1>}	H(C[6]C[6]2H)	109.2675	0.057	2	109.3253	0.214	551	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.8555	0.057	2	109.3253	0.214	551	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3415	0.023	2	109.3253	0.214	551	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4470	0.000	1	109.5523	0.035	12	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4639	0.106	8	109.5523	0.035	12	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.8233	0.084	3	109.5523	0.035	12	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4467	0.243	4	109.4245	0.026	8	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.4022	0.030	4	109.4245	0.026	8	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	115.2321	13.722	8	115.2321	188.298	8	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4200	0.008	2	109.4200	0.000	2	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]OO)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]OO)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.2240	0.221	4	109.2240	0.049	4	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2510	0.013	2	109.2510	0.000	2	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4373	0.304	4	109.3680	0.143	6	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6]2H)	109.2295	0.614	2	109.3680	0.143	6	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	109.1985	0.005	2	109.1985	0.000	2	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5,6]B[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>}	C[6](N[6]C[5,6]B[5a])(C[6]C[6]HH)(H)2{1|B<4>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.7575	1.108	2	109.7575	1.228	2	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.6068	0.020	4	109.5915	0.026	10	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.6562	0.235	4	109.5915	0.026	10	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4315	0.009	2	109.5915	0.026	10	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.6010	0.000	1	108.8336	0.929	7	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.3595	1.072	4	108.8336	0.929	7	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.3980	0.030	2	108.8336	0.929	7	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5,6]Sb)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{1|Sb<5>,1|C<3>,1|P<3>}	C[6](N[6]C[5,6]Sb)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.2193	0.076	3	109.2193	0.006	3	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>}	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.6130	0.020	2	109.6130	0.000	2	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5a,6]Co)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2{1|Co<5>,2|C<3>}	C[6](N[6]C[5a,6]Co)(C[6]C[6]HH)(H)2{1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	109.3880	0.031	2	109.3880	0.001	2	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5a,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>}	C[6](N[6]C[5a,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.4365	0.008	2	109.4365	0.000	2	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]B[6,6]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|B<3>,1|C<3>,1|C<4>}	C[6](N[6]B[6,6]C[6,6])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.5520	0.006	2	109.5520	0.000	2	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|B<3>,1|C<4>,1|P<3>}	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.5650	0.072	4	109.4741	0.088	47	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|B<3>,1|C<4>,1|P<4>}	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.6985	0.164	23	109.4741	0.088	47	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,1|H<1>,1|P<4>}	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2{1|F<1>,1|N<3>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	109.2542	0.108	4	109.4741	0.088	47	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,1|H<1>,1|P<4>}	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2{1|F<1>,2|H<1>,2|N<4>}	H(C[6]C[6]2H)	109.6805	0.006	2	109.4741	0.088	47	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,1|H<1>,1|P<4>}	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2{1|N<3>,1|N<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.1126	0.096	14	109.4741	0.088	47	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]Al)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Al<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6,6]Al)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	110.1306	0.100	8	110.1306	0.010	8	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	110.0673	0.682	46	110.0122	0.485	50	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.3782	0.592	4	110.0122	0.485	50	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|N<3>}	H(C[6]C[6]2H)	110.1491	0.166	16	110.1491	0.028	16	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	110.1380	0.411	6	109.9726	0.090	15	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,2|N<2>}	H(C[6]C[6]2H)	109.8623	0.133	9	109.9726	0.090	15	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]Ce)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Ce<13>,2|C<4>}	C[6](N[6]C[6,6]Ce)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.8513	0.039	3	109.8513	0.002	3	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]Cu)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Cu<2>,1|C<3>,1|C<4>}	C[6](N[6]C[6,6]Cu)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	111.0910	1.428	4	110.2068	0.694	16	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]Cu)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Cu<3>,1|C<3>,1|C<4>}	C[6](N[6]C[6,6]Cu)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.9653	0.087	6	110.2068	0.694	16	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]Cu)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Cu<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6,6]Cu)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.8017	0.051	4	110.2068	0.694	16	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]Cu)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Cu<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6,6]Cu)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.9730	0.049	2	110.2068	0.694	16	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]Fe)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Fe<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6,6]Fe)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	110.3275	0.054	4	110.3275	0.003	4	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.8230	0.187	11	109.8084	0.623	92	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.5880	0.023	4	109.8084	0.623	92	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.8437	0.882	70	109.8084	0.623	92	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.9517	0.028	3	109.8084	0.623	92	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.5520	0.006	2	109.8084	0.623	92	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9730	0.905	2	109.8084	0.623	92	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]Ir)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Ir<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6,6]Ir)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	110.1585	0.029	2	110.1585	0.001	2	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]Li)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Li<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6,6]Li)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.1805	0.092	4	109.1805	0.009	4	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]Mn)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Mn<9>,2|C<4>}	C[6](N[6]C[6,6]Mn)(C[6]C[6]HH)(H)2{1|N<3>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	109.8045	0.030	2	109.8045	0.001	2	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]Mo)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Mo<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6,6]Mo)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.6880	0.103	2	109.6880	0.011	2	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]Pd)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Pd<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6,6]Pd)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.8964	0.131	5	110.0094	0.034	27	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]Pd)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Pd<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6,6]Pd)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	110.0485	0.091	8	110.0094	0.034	27	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]Pd)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Pd<5>,1|C<3>,1|C<4>}	C[6](N[6]C[6,6]Pd)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	110.0274	0.229	14	110.0094	0.034	27	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]Re)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Re<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6,6]Re)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.4561	0.598	8	109.4561	0.357	8	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]Ru)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Ru<5>,1|C<3>,1|C<4>}	C[6](N[6]C[6,6]Ru)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.8985	0.272	43	109.9725	0.311	85	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]Ru)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Ru<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6,6]Ru)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.9200	0.120	6	109.9725	0.311	85	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]Ru)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Ru<7>,1|C<3>,1|C<4>}	C[6](N[6]C[6,6]Ru)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	110.1303	0.999	23	109.9725	0.311	85	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]Ru)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Ru<8>,1|C<3>,1|C<4>}	C[6](N[6]C[6,6]Ru)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.9844	0.039	5	109.9725	0.311	85	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]Ru)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Ru<9>,1|C<3>,1|C<4>}	C[6](N[6]C[6,6]Ru)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.9481	0.139	8	109.9725	0.311	85	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]Si)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6,6]Si)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.4450	0.027	2	110.0649	0.711	47	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]Si)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6,6]Si)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	110.0901	0.893	41	110.0649	0.711	47	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]Si)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Si<5>,1|C<3>,1|C<4>}	C[6](N[6]C[6,6]Si)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	110.1167	0.086	4	110.0649	0.711	47	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]Sm)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Sm<14>,2|C<4>}	C[6](N[6]C[6,6]Sm)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	108.3448	1.957	4	108.3448	3.828	4	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]Ta)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Ta<7>,2|C<4>}	C[6](N[6]C[6,6]Ta)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.3280	0.191	4	109.3280	0.036	4	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]U)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|U<14>,2|C<4>}	C[6](N[6]C[6,6]U)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.9283	0.586	23	109.7320	2.337	31	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]U)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|U<15>,2|C<4>}	C[6](N[6]C[6,6]U)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.1676	2.906	8	109.7320	2.337	31	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]W)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|W<6>}	C[6](N[6]C[6,6]W)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	110.0547	1.659	6	110.0547	2.754	6	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]Zn)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Zn<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6,6]Zn)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	110.0350	0.200	10	110.0350	0.040	10	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6a]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6a]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.9180	0.018	2	109.9180	0.000	2	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6a]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6a]HH)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.7780	0.006	2	109.7780	0.000	2	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2{3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6680	0.279	2	109.6680	0.078	2	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|P<4>}	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,2|N<2>}	H(C[6]C[6]2H)	109.4165	0.008	2	109.4165	0.000	2	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{1|H<1>,1|P<4>}	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,2|N<2>}	H(C[6]C[6]2H)	109.2234	0.449	44	109.2234	0.201	44	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	C[6](N[6]P[6,6]P[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{2|P<4>}	C[6](N[6]P[6,6]P[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|O<2>,2|H<1>,4|N<2>}	H(C[6]C[6]2H)	109.2237	0.068	6	109.2237	0.005	6	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](N[6]B[5a]Ge[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Ge<2>,2|B<3>}	C[6](N[6]B[5a]Ge[6])(C[6]C[6]HH)(H)2{2|H<1>,3|N<3>}	H(C[6]C[6]2H)	108.9195	0.006	2	108.8278	0.011	4	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](N[6]B[5a]Ge[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Ge<4>,2|B<3>}	C[6](N[6]B[5a]Ge[6])(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,3|N<3>}	H(C[6]C[6]2H)	108.7360	0.004	2	108.8278	0.011	4	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](N[6]C[5,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<3>,2|C<4>}	C[6](N[6]C[5,6]C[6])(C[6]C[6]HH)(H)2{1|Pd<4>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.3730	0.096	4	110.3730	0.009	4	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<2>,1|C<3>,1|P<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3310	1.042	4	109.7242	0.391	184	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<2>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	110.0468	0.037	6	109.7242	0.391	184	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<3>,1|C<4>,1|P<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.6400	0.051	2	109.7242	0.391	184	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<4>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.9822	0.039	4	109.7242	0.391	184	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<4>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4310	0.373	6	109.7242	0.391	184	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<4>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Si<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.7800	0.047	3	109.7242	0.391	184	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Pd<4>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.5880	0.016	2	109.7242	0.391	184	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Al<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6702	1.112	20	109.7242	0.391	184	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|B<3>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9409	1.077	8	109.7242	0.391	184	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|B<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	110.3380	1.309	4	109.7242	0.391	184	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7046	0.158	17	109.7242	0.391	184	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3050	0.011	2	109.7242	0.391	184	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Ga<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4386	0.311	7	109.7242	0.391	184	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|In<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4068	0.030	4	109.7242	0.391	184	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Ir<3>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	110.1382	1.024	4	109.7242	0.391	184	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Ir<6>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	110.0247	0.043	3	109.7242	0.391	184	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|P<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	110.3787	0.054	4	109.7242	0.391	184	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6026	0.176	17	109.7242	0.391	184	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Ni<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.9114	0.041	7	109.7242	0.391	184	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Ni<3>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.8657	0.137	7	109.7242	0.391	184	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Ni<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.9598	0.223	18	109.7242	0.391	184	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Ni<7>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	110.1137	0.072	13	109.7242	0.391	184	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Pd<5>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.9494	0.169	7	109.7242	0.391	184	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Rh<6>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2577	0.584	11	109.7242	0.391	184	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Sb<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.9283	0.028	4	109.7242	0.391	184	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](N[6]Ga[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Ga<4>,1|C<3>,1|C<4>}	C[6](N[6]Ga[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|P<3>,2|H<1>,3|N<3>}	H(C[6]C[6]2H)	110.3850	0.011	2	110.3850	0.000	2	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<4>,1|H<1>,1|P<4>}	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	H(C[6]C[6]2H)	108.9029	1.095	37	109.0892	0.605	87	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<4>,1|P<4>}	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,3|N<2>}	H(C[6]C[6]2H)	109.1443	0.150	12	109.0892	0.605	87	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<4>,2|P<4>}	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	H(C[6]C[6]2H)	109.5750	0.024	2	109.0892	0.605	87	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|P<4>,2|C<4>}	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	H(C[6]C[6]2H)	109.2353	0.416	36	109.0892	0.605	87	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<4>,1|H<1>,1|P<4>}	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	H(C[6]C[6]2H)	109.1001	0.763	36	109.0369	0.659	40	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|P<4>,2|H<1>}	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	H(C[6]C[6]2H)	108.4675	1.141	4	109.0369	0.659	40	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](N[6]P[6,6]P[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<4>,2|P<4>}	C[6](N[6]P[6,6]P[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|H<1>,4|N<2>}	H(C[6]C[6]2H)	109.5185	0.033	2	109.5185	0.001	2	109.5166	1.228	2065	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	O[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)2(H)2	C[6](O[6]P[6,6]P[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)2(H)2{2|P<4>}	C[6](O[6]P[6,6]P[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|O<2>,2|H<1>,4|N<2>}	H(C[6]C[6]2H)	109.3370	0.000	1	109.3370	0.000	1	109.3370	0.000	1	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	S[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]S[6]HH)(H)2	C[6](S[6]B[4x3,4x5,4x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]S[6]HH)(H)2{1|B<5>,1|C<4>,2|H<1>}	C[6](S[6]B[4x3,4x5,4x6]C[6])(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>,4|B<6>}	H(C[6]C[6]2H)	109.5270	1.755	4	109.5270	3.081	4	109.0300	0.980	12	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	S[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]S[6]HH)(H)2	C[6](S[6]B[5x3,5x5,20x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]S[6]HH)(H)2{1|B<6>,1|C<4>,2|H<1>}	C[6](S[6]B[5x3,5x5,20x6]C[6])(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>,5|B<6>}	H(C[6]C[6]2H)	108.7652	0.093	6	108.7652	0.009	6	109.0300	0.980	12	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	S[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)2(H)2	C[6](S[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)2(H)2{1|C<4>,1|O<1>}	C[6](S[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8305	0.033	2	108.8305	0.001	2	109.0300	0.980	12	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	Se[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]Se[6,6]HH)2(H)2	C[6](Se[6,6]Ga[4x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]Se[6,6]HH)2(H)2{1|Ga<6>,2|C<4>}	C[6](Se[6,6]Ga[4x6]C[6])(C[6]C[6]HH)(H)2{2|Cl<1>,3|Se<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.1902	0.135	13	108.1902	0.018	13	108.0228	0.064	21	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	Se[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]Se[6,6]HH)2(H)2	C[6](Se[6,6]In[4x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]Se[6,6]HH)2(H)2{1|In<6>,2|C<4>}	C[6](Se[6,6]In[4x6]C[6])(C[6]C[6]HH)(H)2{2|Cl<1>,3|Se<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2H)	107.7506	0.122	8	107.7506	0.015	8	108.0228	0.064	21	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)(I)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HI)(H)2	H(C[6]C[6]2I)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)(I){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HI)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2I)	108.1590	0.000	1	108.1590	0.000	1	107.7495	0.335	2	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)(I)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HI)(H)2	H(C[6]C[6]2I)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)(I){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HI)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2I)	107.3400	0.000	1	107.3400	0.000	1	107.7495	0.335	2	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)(I)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HI)(H)2	H(C[6]C[6]2I)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)(I){4|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HI)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2I)	108.5195	0.361	2	108.5195	0.131	2	108.5195	0.131	2	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)(I)	C[6](N[6]C[6a]C[6])(C[6]C[6]HI)(H)2	H(C[6]C[6]2I)	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)(I){1|S<4>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HI)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[6]2I)	108.0000	0.000	1	108.0000	0.000	1	108.0000	0.000	1	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2O)	107.3460	1.390	2	107.3460	1.933	2	107.3460	1.933	2	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(H)2	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.2095	0.030	2	109.2095	0.001	2	109.4428	0.700	25	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.0880	0.025	2	109.0880	0.001	2	109.4428	0.700	25	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>,2|O<2>}	H(C[6]C[6]N[6]H)	109.2998	0.035	5	109.2998	0.001	5	109.4428	0.700	25	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4950	0.023	2	109.8560	3.900	4	109.4428	0.700	25	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]N[6]H)	110.2170	3.343	2	109.8560	3.900	4	109.4428	0.700	25	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5980	1.919	2	109.5980	3.683	2	109.4428	0.700	25	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3959	0.152	8	109.4357	0.025	10	109.4428	0.700	25	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5950	0.013	2	109.4357	0.025	10	109.4428	0.700	25	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]2)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	109.8370	0.034	2	109.8370	0.001	2	109.8370	0.001	2	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6]H)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6890	0.000	1	109.6890	0.000	1	110.1291	2.485	16	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]CH)(H)2	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3290	0.014	2	109.3290	0.000	2	110.1291	2.485	16	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]CC)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.1050	0.044	3	109.1050	0.002	3	110.1291	2.485	16	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.1755	0.060	2	109.1755	0.004	2	110.1291	2.485	16	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	112.2715	1.975	4	111.0066	3.524	8	110.1291	2.485	16	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7417	0.236	4	111.0066	3.524	8	110.1291	2.485	16	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-3:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(N[6]C[6]HS)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(Br)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]BrH)(N[6]C[6]HS)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(Br)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2485	0.042	2	109.2485	0.002	2	109.2485	0.002	2	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	108.9232	1.531	4	109.3090	1.191	9	109.3090	1.191	9	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6176	0.597	5	109.3090	1.191	9	109.3090	1.191	9	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(N[6]B[6]CH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[5,6]HH)(N[6]B[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3720	0.018	2	109.3720	0.000	2	109.3720	0.000	2	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,1|P<4>,2|H<1>}	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2{1|Se<1>,2|H<1>,2|N<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.2274	0.090	12	109.2274	0.008	12	109.5965	0.233	702	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6356	0.107	7	109.6039	0.016	14	109.5965	0.233	702	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5721	0.146	7	109.6039	0.016	14	109.5965	0.233	702	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2848	0.172	4	109.6431	0.068	15	109.5965	0.233	702	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7735	0.125	11	109.6431	0.068	15	109.5965	0.233	702	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4995	0.137	26	109.5526	0.341	207	109.5965	0.233	702	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6244	0.148	8	109.5526	0.341	207	109.5965	0.233	702	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5449	0.638	168	109.5526	0.341	207	109.5965	0.233	702	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	110.4135	0.104	2	109.5526	0.341	207	109.5965	0.233	702	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<4>,2|N<2>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6767	0.074	3	109.5526	0.341	207	109.5965	0.233	702	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.0793	0.095	4	109.0793	0.009	4	109.5965	0.233	702	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6]N[6]H)	110.2809	0.565	12	109.6294	0.196	450	109.5965	0.233	702	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6156	0.442	398	109.6294	0.196	450	109.5965	0.233	702	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|N<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5855	0.159	35	109.6294	0.196	450	109.5965	0.233	702	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4730	0.422	5	109.6294	0.196	450	109.5965	0.233	702	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:S[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(S[6]C[5,6]OO)(H)2	C[6](N[5,6]C[5,6]O[5])(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]N[5,6]HH)(S[6]C[5,6]OO)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](N[5,6]C[5,6]O[5])(C[6]S[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<1>}	H(C[6]C[6]S[6]H)	109.2655	0.039	2	109.2655	0.002	2	109.2655	0.002	2	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:S[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(S[6]C[6]OO)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]N[6,6]HH)(S[6]C[6]OO)(H)2{2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2{2|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]S[6]H)	109.4120	0.000	1	109.4120	0.000	1	110.9780	1.044	7	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:S[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(S[6]N[6,6]OO)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]N[6,6]HH)(S[6]N[6,6]OO)(H)2{3|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2{1|N<3>,1|O<2>,2|O<1>,4|H<1>}	H(C[6]C[6]S[6]H)	110.7255	0.766	2	111.2390	0.681	6	110.9780	1.044	7	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:S[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(S[6]N[6,6]OO)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]N[6,6]HH)(S[6]N[6,6]OO)(H)2{3|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2{2|N<3>,2|O<1>,4|H<1>}	H(C[6]C[6]S[6]H)	111.4958	0.822	4	111.2390	0.681	6	110.9780	1.044	7	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	N[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,5,6,6]C[5,5,6]C[5,6]2)(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,5,6,6]HH)(H)2	H(C[6]N[5,5,6,6]C[6]H)	C[6](N[5,5,6,6]C[5,5,6]C[5,6]2)(C[6]C[5a,6]HH)(H)2{2|C<3>,4|C<4>,4|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,5,6,6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>}	H(C[6]N[5,5,6,6]C[6]H)	109.3160	0.025	2	109.3160	0.001	2	109.3160	0.001	2	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,4|C<3>}	H(C[6]N[5,6]C[6]H)	109.4325	0.016	2	109.5620	0.012	6	109.6574	0.040	8	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,4|C<3>}	H(C[6]N[5,6]C[6]H)	109.6268	0.058	4	109.5620	0.012	6	109.6574	0.040	8	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.9435	0.012	2	109.9435	0.000	2	109.6574	0.040	8	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5]C)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5]C)(C[6]N[5,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	H(C[6]N[5,6]C[6]H)	109.0650	0.016	2	109.1293	0.004	6	109.1293	0.004	6	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5]C)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5]C)(C[6]N[5,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2{1|N<4>,3|H<1>,4|C<4>}	H(C[6]N[5,6]C[6]H)	109.1615	0.044	4	109.1293	0.004	6	109.1293	0.004	6	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]N[6,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]N[6,6]C[6]H)	109.0220	0.000	1	109.0220	0.000	1	109.3347	0.018	20	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]N[6,6]C[6]H)	109.4588	0.079	6	109.3779	0.012	15	109.3347	0.018	20	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]N[6,6]C[6]H)	109.3240	0.090	9	109.3779	0.012	15	109.3347	0.018	20	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]N[6,6]C[6]H)	109.2507	0.095	4	109.2507	0.009	4	109.3347	0.018	20	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]N[6,6]C[6]H)	109.5000	0.000	1	109.5000	0.000	1	109.8251	0.028	9	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	109.9122	0.106	6	109.8658	0.015	8	109.8251	0.028	9	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	109.7265	0.025	2	109.8658	0.015	8	109.8251	0.028	9	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<4>}	H(C[6]N[6,6]C[6]H)	108.8740	0.000	1	109.3569	0.031	11	109.3545	0.026	13	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|N<4>,3|H<1>,4|C<4>}	H(C[6]N[6,6]C[6]H)	109.4052	0.079	10	109.3569	0.031	11	109.3545	0.026	13	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6]Cu)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6]Cu)(C[6]N[6,6]HH)(H)2{1|N<4>,2|H<1>,4|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|Cu<6>,1|C<5>,1|H<1>,1|N<4>,4|C<4>}	H(C[6]N[6,6]C[6]H)	109.3410	0.021	2	109.3410	0.000	2	109.3545	0.026	13	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]AlC)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]AlC)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|Al<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.1125	0.903	6	108.1125	0.815	6	108.8725	0.541	22	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CuH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CuH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|Cu<4>,1|C<4>,2|N<2>,3|H<1>}	H(C[6]C[6]N[6]H)	109.1575	0.410	16	109.1575	0.168	16	108.8725	0.541	22	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	P[5,6]-4:C[6]-4:H-1:H-1:	B[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[5,6]C[5,6]C[6a]C[5])(C[6]B[6]HH)(H)2	C[6](B[6]C[6a]O[6])(C[6]P[5,6]HH)(H)2	H(C[6]P[5,6]C[6]H)	C[6](P[5,6]C[5,6]C[6a]C[5])(C[6]B[6]HH)(H)2{1|B<4>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](B[6]C[6a]O[6])(C[6]P[5,6]HH)(H)2{2|C<4>,3|C<3>}	H(C[6]P[5,6]C[6]H)	109.4865	0.018	2	109.4865	0.000	2	109.4865	0.000	2	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	P[6]-4:C[6]-4:H-1:H-1:	B[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6]C[6a]C[6]B)(C[6]B[6]HH)(H)2	C[6](B[6]C[6a]C[6])(C[6]P[6]HH)(H)2	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]C[6]B)(C[6]B[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](B[6]C[6a]C[6])(C[6]P[6]HH)(H)2{1|B<4>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]P[6]H)	108.5830	0.043	4	108.5830	0.002	4	108.5562	0.022	6	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	P[6]-4:C[6]-4:H-1:H-1:	B[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6]C[6a]C[6]H)(C[6]B[6]HH)(H)2	C[6](B[6]C[6a]O[6])(C[6]P[6]HH)(H)2	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]C[6]H)(C[6]B[6]HH)(H)2{1|B<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](B[6]C[6a]O[6])(C[6]P[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]P[6]H)	108.5025	0.310	2	108.5025	0.096	2	108.5562	0.022	6	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	P[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6]C[6,6a]C[6a]2)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6a]C[6a])(C[6]P[6]HH)(H)2	H(C[6]C[6]P[6]H)	C[6](P[6]C[6,6a]C[6a]2)(C[6]N[6]HH)(H)2{7|C<3>}	C[6](N[6]C[6,6a]C[6a])(C[6]P[6]HH)(H)2{6|C<3>}	H(C[6]C[6]P[6]H)	110.4338	0.137	4	110.4338	0.019	4	110.4338	0.019	4	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:1:1:	4:	S[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](S[6]C[5,6]OO)(C[6]N[6]HH)(H)2	C[6](N[6]C[5,6]H)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](S[6]C[5,6]OO)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[5,6]H)(C[6]S[6]HH)(H)2{1|H<1>,2|C<4>,2|O<1>}	H(C[6]C[6]S[6]H)	109.5815	0.021	2	109.5815	0.000	2	109.5815	0.000	2	109.4090	0.831	10373	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HO)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(OO)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HO)(H)2{1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(OO)(H){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.5030	0.017	2	109.5030	0.000	2	109.5030	0.000	2	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]HH)(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.3315	0.056	2	109.3315	0.003	2	109.3315	0.003	2	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(H)2{3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(OC)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.6235	0.006	2	109.6235	0.000	2	109.6235	0.000	2	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[4,6,6]C[5,6])(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6,6]HO)(H)2{2|C<3>,5|C<4>}	C[6](C[6,6]C[4,6,6]C[5,6])(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	110.0075	0.050	2	110.0075	0.003	2	109.3486	0.207	33	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3152	0.043	4	109.1136	0.049	8	109.3486	0.207	33	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H){2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9120	0.056	4	109.1136	0.049	8	109.3486	0.207	33	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OC)(H){7|C<4>}	H(C[6]C[6,6]C[6]H)	108.7970	0.074	2	108.7970	0.005	2	109.3486	0.207	33	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OH)(H){7|C<4>}	H(C[6]C[6,6]C[6]H)	108.2990	0.045	2	108.2990	0.002	2	109.3486	0.207	33	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.6635	0.019	2	109.9053	0.078	4	109.3486	0.207	33	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(OH)(H){1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	110.1470	0.013	2	109.9053	0.078	4	109.3486	0.207	33	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,6|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OH)(H){1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.6115	0.057	2	109.6115	0.003	2	109.3486	0.207	33	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{2|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OC)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.4890	0.047	2	109.4890	0.002	2	109.3486	0.207	33	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H){3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3083	0.143	7	109.4151	0.045	11	109.3486	0.207	33	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{2|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.4425	0.009	2	109.4151	0.045	11	109.3486	0.207	33	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{2|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.7615	0.045	2	109.4151	0.045	11	109.3486	0.207	33	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CN)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]CH)(H)2{2|C<3>,5|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CN)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.8575	0.008	2	109.8575	0.000	2	109.8575	0.000	2	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HO)(H)2{2|C<3>,5|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.5500	0.000	1	109.5500	0.000	1	109.5500	0.000	1	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6a]O[6]H)(H)2	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6a]O[6]H)(H)2{2|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6]HH)(O[6]C[6])(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3550	0.000	1	109.3550	0.000	1	109.3550	0.000	1	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HO)(H)2	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6]C[6,6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HO)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6]C[6,6]HH)(OC)(H){3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.6930	0.013	2	108.6930	0.000	2	108.6930	0.000	2	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HO)(H)2	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HO)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OC)(H){3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	107.8152	0.038	4	107.8152	0.001	4	108.5787	0.505	17	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HO)(H)2	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HO)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OH)(H){2|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	108.2875	0.036	2	108.3013	0.008	7	108.5787	0.505	17	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HO)(H)2	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HO)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OH)(H){3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.3068	0.110	5	108.3013	0.008	7	108.5787	0.505	17	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]HO)(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(OH)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.4113	0.448	6	109.4113	0.201	6	108.5787	0.505	17	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]HO)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]HO)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(OC)(H){1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7185	0.005	2	108.7185	0.000	2	108.5487	0.018	6	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]HO)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]HO)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(OH)(H){1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.4638	0.032	4	108.4638	0.001	4	108.5487	0.018	6	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(NS)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(Br)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(NS)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2Br)	108.3810	0.000	1	108.3810	0.000	1	108.3810	0.000	1	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[5,6]HO)(Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6,6a]HO)(C[6]C[5,6]HO)(Br)(H){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2Br)	110.8120	0.000	1	110.8120	0.000	1	108.2399	1.608	16	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]BrH)(Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6,6a]HO)(C[6]C[6]BrH)(Br)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2Br)	106.6840	1.744	2	106.6840	3.041	2	108.2399	1.608	16	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]BrH)(Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6,6a]HO)(C[6]C[6]BrH)(Br)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2Br)	106.5225	1.107	2	106.5225	1.225	2	108.2399	1.608	16	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(Br)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2Br)	108.7805	0.305	2	108.7805	0.093	2	108.2399	1.608	16	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(Br)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2Br)	108.7333	0.481	3	108.7333	0.231	3	108.2399	1.608	16	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(Br)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2Br)	108.5987	0.134	3	108.5987	0.018	3	108.2399	1.608	16	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]O[6]CC)(Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6,6a]HO)(C[6]O[6]CC)(Br)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H){1|C<3>,1|N<2>,2|C<4>,2|O<2>}	H(C[6]C[6]2Br)	108.3420	0.000	1	108.3420	0.000	1	108.2399	1.608	16	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]O[6]CC)(Br)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]BrH)(OC)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6,6a]HO)(C[6]O[6]CC)(Br)(H){2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]BrH)(OC)(H){2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6]2Br)	108.0690	0.000	1	108.0690	0.000	1	108.2399	1.608	16	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]O[6]CC)(Br)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]BrH)(OH)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6,6a]HO)(C[6]O[6]CC)(Br)(H){2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]BrH)(OH)(H){2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6]2Br)	108.6460	0.000	1	108.6460	0.000	1	108.2399	1.608	16	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(Cl)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]ClH)(OH)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]ClH)(OH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2Cl)	108.8120	0.000	1	108.8120	0.000	1	108.8120	0.000	1	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6,6]HO)(Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(OH)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6,6a]HO)(C[6]C[6,6]HO)(Cl)(H){2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(OH)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[6]C[6]2Cl)	108.0460	0.000	1	108.0460	0.000	1	108.3940	0.242	2	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(OH)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(Cl)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2Cl)	108.7420	0.000	1	108.7420	0.000	1	108.3940	0.242	2	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2930	0.030	2	109.2930	0.001	2	108.8424	1.021	14	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(OSi)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6795	0.023	2	109.6795	0.001	2	108.8424	1.021	14	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6080	0.028	2	108.6080	0.001	2	108.8424	1.021	14	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[5,6]HO)(H)2{3|C<3>}	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	108.5791	1.242	8	108.5791	1.542	8	108.8424	1.021	14	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[3,6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HO)(C[6]C[3,6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.1640	0.010	2	109.1640	0.000	2	108.7537	0.381	17	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HH)(H)2	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.6760	0.016	2	108.6760	0.000	2	108.7537	0.381	17	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HH)(H)2	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	108.8960	0.031	2	108.8960	0.001	2	108.7537	0.381	17	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HH)(H)2	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	108.7855	0.032	2	108.7855	0.001	2	108.7537	0.381	17	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6]CC)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]CC)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.7000	0.025	2	108.7000	0.001	2	108.7537	0.381	17	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.3690	0.008	2	109.2837	0.022	3	108.7537	0.381	17	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1130	0.000	1	109.2837	0.022	3	108.7537	0.381	17	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	107.2280	0.024	2	108.1298	1.084	4	108.7537	0.381	17	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0315	0.016	2	108.1298	1.084	4	108.7537	0.381	17	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[5a]O[6]H)(C[6]C[6a]C[6]H)(H)2	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]O[6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3787	0.075	3	109.4874	0.025	5	109.4874	0.025	5	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[5a]O[6]H)(C[6]C[6a]C[6]H)(H)2	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]O[6]H)(C[6]C[6a]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.6505	0.012	2	109.4874	0.025	5	109.4874	0.025	5	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.6830	0.083	4	109.6830	0.007	4	109.4137	0.078	49	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.7730	0.028	2	109.7730	0.001	2	109.4137	0.078	49	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.2250	0.008	2	109.2250	0.000	2	109.4137	0.078	49	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6]2H)	109.4995	0.098	4	109.4995	0.010	4	109.4137	0.078	49	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.8505	0.005	2	108.8505	0.000	2	109.4137	0.078	49	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.6255	0.097	2	108.6255	0.009	2	109.4137	0.078	49	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1455	0.005	2	109.3136	0.011	8	109.4137	0.078	49	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3920	0.031	2	109.3136	0.011	8	109.4137	0.078	49	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3585	0.027	4	109.3136	0.011	8	109.4137	0.078	49	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4944	0.074	8	109.4044	0.038	16	109.4137	0.078	49	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6390	0.033	2	109.4044	0.038	16	109.4137	0.078	49	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1670	0.178	4	109.4044	0.038	16	109.4137	0.078	49	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2850	0.016	2	109.4044	0.038	16	109.4137	0.078	49	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]N[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6239	0.081	9	109.6239	0.007	9	109.4137	0.078	49	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NS)(H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1510	0.226	2	108.8692	2.345	4	109.4117	0.377	26	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NS)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.5875	2.582	2	108.8692	2.345	4	109.4117	0.377	26	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NC)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.3560	0.027	2	109.3560	0.001	2	109.4117	0.377	26	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NN)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4658	0.242	12	109.4658	0.059	12	109.4117	0.377	26	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6158	0.164	8	109.6158	0.027	8	109.4117	0.377	26	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[5,6]HO)(H)2	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[5,6]HO)(H)2{3|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6]2H)	108.7140	0.063	4	108.7140	0.004	4	109.2269	0.569	83	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[5,6]HO)(H)2	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[5,6]HO)(H)2{3|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6]2H)	107.6943	1.735	4	107.6943	3.010	4	109.2269	0.569	83	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(H)2	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	109.0957	0.025	4	109.0957	0.001	4	109.2269	0.569	83	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	110.6540	1.232	2	110.6540	1.517	2	109.2269	0.569	83	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]CO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CO)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.2695	0.023	2	108.2695	0.001	2	109.2269	0.569	83	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]CO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CO)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC[6])(H){1|C<4>,2|O<2>,3|C<3>}	H(C[6]C[6]2H)	108.8347	0.051	3	108.8347	0.003	3	109.2269	0.569	83	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]CO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CO)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	109.6330	0.027	2	109.6330	0.001	2	109.2269	0.569	83	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4048	0.038	4	109.4865	0.011	19	109.2269	0.569	83	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,1|I<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5104	0.143	7	109.4865	0.011	19	109.2269	0.569	83	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.5064	0.067	8	109.4865	0.011	19	109.2269	0.569	83	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4680	0.000	1	109.6937	0.032	16	109.2269	0.569	83	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6785	0.169	13	109.6937	0.032	16	109.2269	0.569	83	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.9055	0.005	2	109.6937	0.032	16	109.2269	0.569	83	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.3689	0.916	8	108.3689	0.838	8	109.2269	0.569	83	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4862	0.201	6	109.4862	0.040	6	109.2269	0.569	83	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]N[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.3680	0.042	2	109.3680	0.002	2	109.2269	0.569	83	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]N[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5050	0.025	2	109.5050	0.001	2	109.2269	0.569	83	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HO)(H)2{1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.3490	0.000	1	109.3490	0.000	1	109.2269	0.569	83	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HO)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.9145	0.197	2	108.9145	0.039	2	109.2269	0.569	83	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HO)(H)2{5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.1610	0.006	2	109.1610	0.000	2	109.2269	0.569	83	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HO)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.6650	0.000	1	109.6650	0.000	1	109.2269	0.569	83	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]HO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]HO)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6]2H)	109.3600	0.451	3	109.3600	0.204	3	109.2269	0.569	83	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HS)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(SC[6a])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HS)(C[6]C[6]HH)(H)2{1|H<1>,1|S<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(SC[6a])(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5540	0.117	11	109.5540	0.014	11	109.5540	0.014	11	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NC[5])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NC[5])(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4076	0.082	8	109.4076	0.007	8	109.4076	0.007	8	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HO)(H)2{3|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.8440	0.000	1	108.8440	0.000	1	109.4166	0.083	81	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(OSi)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4045	0.029	2	109.4045	0.001	2	109.4166	0.083	81	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HO)(H)2{1|C<2>,1|C<3>,1|N<3>}	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	108.9530	0.024	2	108.9530	0.001	2	109.4166	0.083	81	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.7945	0.021	2	108.7945	0.000	2	109.4166	0.083	81	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H){1|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9600	0.048	2	108.9600	0.002	2	109.4166	0.083	81	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2{1|O<1>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7107	0.202	9	109.7107	0.041	9	109.4166	0.083	81	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2{1|O<1>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5583	0.016	3	109.5583	0.000	3	109.4166	0.083	81	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OC)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5285	0.005	2	109.5285	0.000	2	109.4166	0.083	81	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3610	0.100	6	109.4312	0.043	12	109.4166	0.083	81	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6510	0.038	2	109.4312	0.043	12	109.4166	0.083	81	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1545	0.030	2	109.4312	0.043	12	109.4166	0.083	81	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6990	0.018	2	109.4312	0.043	12	109.4166	0.083	81	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2105	0.045	8	109.2105	0.002	8	109.4166	0.083	81	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7295	0.046	2	109.6024	0.019	5	109.4166	0.083	81	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OC)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5177	0.102	3	109.6024	0.019	5	109.4166	0.083	81	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7662	0.032	6	109.7918	0.012	9	109.4166	0.083	81	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.9545	0.037	2	109.7918	0.012	9	109.4166	0.083	81	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6200	0.000	1	109.7918	0.012	9	109.4166	0.083	81	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|O<1>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2207	0.165	4	109.2207	0.027	4	109.4166	0.083	81	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3281	0.179	8	109.3281	0.032	8	109.4166	0.083	81	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2{3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2665	0.037	2	109.2665	0.001	2	109.4166	0.083	81	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(OC)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.1200	0.080	4	109.1200	0.006	4	109.4166	0.083	81	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5290	0.111	4	109.5290	0.012	4	109.4166	0.083	81	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4580	0.017	2	109.4580	0.000	2	109.4166	0.083	81	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]O[6]HO)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]O[6]HO)(H)2{3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(H){2|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.8180	0.063	3	109.8180	0.004	3	109.4765	0.169	6	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6a]N[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[5,6])(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6a]N[6]H)(H)2{1|N<2>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[5,6])(H){2|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.1350	0.262	3	109.1350	0.069	3	109.4765	0.169	6	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]O[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6,6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]O[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6,6])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.9283	0.360	6	108.9283	0.130	6	109.3755	1.035	112	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]O[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]O[6]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.5900	0.013	4	108.5900	0.000	4	109.3755	1.035	112	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(H)2{1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.4098	0.209	4	109.3942	0.822	16	109.3755	1.035	112	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(H)2{1|C<2>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.5585	0.056	6	109.3942	0.822	16	109.3755	1.035	112	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.0015	1.937	4	109.3942	0.822	16	109.3755	1.035	112	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(H)2{1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){3|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.6555	0.030	2	109.3942	0.822	16	109.3755	1.035	112	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]O[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]O[6]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.1480	0.000	1	109.1480	0.000	1	109.3755	1.035	112	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]O[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]O[6]H)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.7480	0.018	2	109.7480	0.000	2	109.3755	1.035	112	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]CC)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6,6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]CC)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6,6])(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.2928	0.240	11	109.2928	0.057	11	109.3755	1.035	112	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]CN)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]CN)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.8300	5.750	2	109.8300	33.065	2	109.3755	1.035	112	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(H)2{1|Cr<9>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H){1|Cr<9>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5915	0.243	4	109.5915	0.059	4	109.3755	1.035	112	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]2F)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]2F)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|F<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3465	0.171	4	109.3465	0.029	4	109.3755	1.035	112	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CC)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.7410	0.024	2	108.7410	0.001	2	109.3755	1.035	112	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5570	0.007	2	109.5570	0.000	2	109.3755	1.035	112	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CN)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CN)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0350	0.220	3	109.3066	0.135	7	109.3755	1.035	112	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CN)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CN)(H)2{2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5102	0.330	4	109.3066	0.135	7	109.3755	1.035	112	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CN)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CN)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6])(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.5702	0.310	6	109.5702	0.096	6	109.3755	1.035	112	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]ClH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]ClH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.8300	0.028	2	109.8300	0.001	2	109.3755	1.035	112	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.3295	0.011	2	109.3295	0.000	2	109.3755	1.035	112	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8585	0.052	2	109.6306	0.019	11	109.3755	1.035	112	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6550	0.065	2	109.6306	0.019	11	109.3755	1.035	112	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.6580	0.030	2	109.6306	0.019	11	109.3755	1.035	112	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.4823	0.016	3	109.6306	0.019	11	109.3755	1.035	112	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5735	0.033	2	109.6306	0.019	11	109.3755	1.035	112	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6])(H){3|C<3>,4|H<1>}	H(C[6]C[6]2H)	110.1955	0.107	2	110.1955	0.011	2	109.3755	1.035	112	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HN)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HN)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8460	0.023	2	109.7600	0.010	4	109.3755	1.035	112	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HN)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HN)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.6740	0.007	2	109.7600	0.010	4	109.3755	1.035	112	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HN)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HN)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.1420	0.008	2	109.1420	0.000	2	109.3755	1.035	112	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.4273	4.297	4	109.4273	18.467	4	109.3755	1.035	112	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.5660	0.011	2	109.5787	0.000	4	109.3755	1.035	112	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.5915	0.015	2	109.5787	0.000	4	109.3755	1.035	112	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]N[6]CH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]N[6]CH)(H)2{3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.8380	0.024	2	109.8380	0.001	2	109.3755	1.035	112	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]O[6]CC)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]P[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]CC)(H)2{1|P<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]P[6])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	108.8280	0.000	1	108.8280	0.000	1	109.3755	1.035	112	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)2(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]P[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)2(H)2{1|P<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]P[6])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.0799	0.162	11	109.0799	0.026	11	109.3755	1.035	112	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]S[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]S[6]H)(H)2{1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H){2|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2863	0.282	6	109.2863	0.079	6	107.8285	3.055	16	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6]CO)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6,6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6]CO)(H)2{1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6,6])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.7565	0.006	2	108.7565	0.000	2	107.8285	3.055	16	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6,6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6,6])(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	105.6235	0.518	4	105.6853	0.170	6	107.8285	3.055	16	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6,6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6,6])(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	105.8090	0.034	2	105.6853	0.170	6	107.8285	3.055	16	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]S[6]H)(C[6]N[6]CO)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]S[6]H)(C[6]N[6]CO)(H)2{3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.9565	0.018	2	108.9565	0.000	2	107.8285	3.055	16	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:Se[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]Se[6]H)(C[6]N[6]CO)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(Se[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]Se[6]H)(C[6]N[6]CO)(H)2{3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(Se[6]C[6])(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.8113	0.096	4	108.8113	0.009	4	108.8113	0.009	4	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]CH)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]CH)(H)2{1|H<1>,3|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CC)(H){3|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.2970	0.007	2	109.2970	0.000	2	109.2970	0.000	2	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HO)(H)2	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HO)(H)2{1|C<3>,3|C<4>}	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.3945	0.016	2	109.3945	0.000	2	109.2716	0.019	14	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]HO)(H)2	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]HO)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]HH)(OH)(H){1|H<1>,2|O<1>,4|C<3>}	H(C[6]C[6]2H)	109.1735	0.062	8	109.1735	0.004	8	109.2716	0.019	14	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[5,6]HO)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.3120	0.065	2	109.3120	0.004	2	109.2716	0.019	14	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[5,6]HO)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.5005	0.013	2	109.5005	0.000	2	109.2716	0.019	14	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(H)2	C[6](N[5]C[5]N[5])(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6](N[5]C[5]N[5])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4000	0.025	2	109.4000	0.001	2	109.4000	0.001	2	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]N[5a,6]HO)(H)2	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[5a,6]HO)(H)2{1|N<3>,5|C<3>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6]2H)	109.1620	0.086	4	109.1620	0.007	4	109.1620	0.007	4	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[5a]O[6]H)(H)2	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5a]O[6]H)(H)2{1|H<1>,1|N<2>,5|C<3>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.6825	0.047	2	109.6825	0.002	2	109.7336	0.163	23	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]N[5a]O[6]H)(C[6]C[5]C[6]H)(H)2	C[6](N[5a]C[5a,6a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]O[6]H)(C[6]C[5]C[6]H)(H)2{1|Fe<10>,1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>}	C[6](N[5a]C[5a,6a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.7410	0.038	2	108.7410	0.001	2	109.7336	0.163	23	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HH)(H)2	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,2|N<2>,5|H<1>}	H(C[6]C[6]2H)	109.7560	0.209	6	109.7560	0.044	6	109.7336	0.163	23	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HH)(H)2	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	110.1365	0.049	2	110.1117	0.004	6	109.7336	0.163	23	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HH)(H)2	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	110.0992	0.067	4	110.1117	0.004	6	109.7336	0.163	23	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(H)2	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.8364	0.167	5	109.8364	0.028	5	109.7336	0.163	23	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]N[5a]O[6]H)(C[6]C[6]N[5]H)(H)2	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]N[5]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	H(C[6]C[6]2H)	109.3185	0.062	2	109.3185	0.004	2	109.7336	0.163	23	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]N[6])(C[6]C[6]HH)(CN)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](N[6,6]C[6,6]N[6])(C[6]C[6]HH)(CN)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.2475	2.299	6	108.2475	5.285	6	108.5709	4.134	8	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(CN)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(CN)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5410	0.041	2	109.5410	0.002	2	108.5709	4.134	8	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]N[6,6]HN)(C[6]C[6]HH)(H)2	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(NN)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HN)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(NN)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5090	0.062	4	109.5090	0.004	4	109.5090	0.004	4	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[6,6]HO)(C[6]C[6]HH)(H)2	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4067	0.220	6	109.4067	0.049	6	109.4067	0.049	6	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[6,6a]HO)(C[6]O[6]CH)(H)2	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6a]HO)(C[6]O[6]CH)(H)2{2|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.0270	0.028	2	109.0270	0.001	2	109.0270	0.001	2	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HO)(H)2	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HO)(H)2{3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2705	0.036	2	109.2705	0.001	2	109.2310	0.008	7	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HO)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(OO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(OO)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2690	0.093	3	109.2690	0.009	3	109.2310	0.008	7	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(H)2{5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(OH)(H){2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.1345	0.039	2	109.1345	0.002	2	109.2310	0.008	7	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]N[6a]O[6]H)(C[6]C[6]HH)(H)2	C[6](N[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H)	H(C[6]C[6]2H)	C[6](C[6]N[6a]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8510	0.000	1	109.8510	0.000	1	109.8532	0.011	10	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]N[6a]O[6]H)(C[6]C[6]HH)(H)2	C[6](N[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]N[6a]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](N[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7708	0.038	5	109.8057	0.005	7	109.8532	0.011	10	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]N[6a]O[6]H)(C[6]C[6]HH)(H)2	C[6](N[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]N[6a]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](N[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,5|H<1>}	H(C[6]C[6]2H)	109.8930	0.047	2	109.8057	0.005	7	109.8532	0.011	10	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]N[6a]O[6]H)(C[6]C[6]HH)(H)2	C[6](N[6a]C[6a]N[6a])(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]N[6a]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](N[6a]C[6a]N[6a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	110.0205	0.006	2	110.0205	0.000	2	109.8532	0.011	10	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)(I)	C[6](C[6a]C[6a]2)(C[6]C[6]HI)(O[6]C[6])(H)	H(C[6]C[6]2I)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)(I){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HI)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6]2I)	107.3700	0.000	1	107.3700	0.000	1	107.3700	0.000	1	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(N[6]C[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(OH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HO)(N[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.9057	1.390	4	110.9057	1.931	4	110.9057	1.931	4	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6]CH)(H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4840	0.011	2	109.4840	0.000	2	109.4840	0.000	2	109.2425	0.712	609	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O[6]O)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(O[6]C[6,6])(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O[6]O)(H)2{1|N<3>,5|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(O[6]C[6,6])(OH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.2878	0.154	4	109.2878	0.024	4	109.2878	0.024	4	108.6499	1.715	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:	C[6](C[6]C[6a]O[6]O)(C[6]C[5,6]CO)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]O[6])(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]O)(C[6]C[5,6]CO)(H)2{1|O<2>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]O[6])(OH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0625	0.018	2	109.0625	0.000	2	109.0625	0.000	2	108.6499	1.715	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:2:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:	C[6](C[6]C[6a]O[6]O)(N[6]C[6]CC)(H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(OH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]O[6]O)(N[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(OH){2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	107.5243	1.985	3	107.5243	3.939	3	107.5243	3.939	3	108.6499	1.715	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-2:C-4:	C[6]-4:	C[6](C[6]C[6a]N[6]C)(C[6]O[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(CHHI)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]C)(C[6]O[6]HH)(H)2{3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(CHHI){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.8872	0.017	4	109.8872	0.000	4	109.4411	0.240	8	109.4907	0.157	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-2:C-4:	C[6]-4:	C[6](C[6]C[6a]N[6]C)(C[6]S[6]CH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]C)(C[6]S[6]CH)(H)2{3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(CH3){1|C<4>,1|F<1>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9950	0.170	4	108.9950	0.029	4	109.4411	0.240	8	109.4907	0.157	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]C)(H)2{1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CH3){3|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.0545	0.042	2	109.0545	0.002	2	109.5403	0.092	8	109.4907	0.157	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CH3){4|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.6525	0.030	2	109.6525	0.001	2	109.5403	0.092	8	109.4907	0.157	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(C[6]N[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CHHI)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]C)(C[6]N[6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CHHI){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.7155	0.036	2	109.7155	0.001	2	109.5403	0.092	8	109.4907	0.157	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:2:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(C[6]O[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CHHI)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]C)(C[6]O[6]HH)(H)2{3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CHHI){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.7385	0.009	2	109.7385	0.000	2	109.5403	0.092	8	109.4907	0.157	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[5,6]CH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(COO)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[5,6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(COO)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[3,6]C[6]H)	109.5285	0.012	2	109.5285	0.000	2	109.5285	0.000	2	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6,6a]C[6a]H)(Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]BrH)(C[6a]C[6a]2)(H)	H(C[6]C[5,6]C[6]Br)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6,6a]C[6a]H)(Br)(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]BrH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]Br)	109.7480	0.000	1	109.7480	0.000	1	109.7480	0.000	1	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]N[5]S[6])(C[6]C[5a,6]C[6a]H)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]N[5]S[6])(C[6]C[5a,6]C[6a]H)(H)2{1|S<4>,6|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|S<2>,2|H<1>,5|C<3>}	H(C[6]C[5,6]C[6]H)	108.8160	0.000	1	108.8160	0.000	1	108.8160	0.000	1	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HN)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(NC[6a]O)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HN)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(NC[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.3260	0.000	1	109.3260	0.000	1	109.3260	0.000	1	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]C[6a]H)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]C[6a]H)(H)2{1|C<2>,1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){2|C<3>,3|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	108.7445	0.210	2	108.7687	0.016	4	108.7687	0.016	4	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]C[6a]H)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]C[6a]H)(H)2{1|H<1>,1|O<2>,3|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){3|C<3>,3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	108.7930	0.030	2	108.7687	0.016	4	108.7687	0.016	4	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6a]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC[5]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6a]CH)(H)2{3|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(C[6]C[5,6]C[6]H)	108.6527	0.156	4	108.6527	0.024	4	108.6527	0.024	4	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]C[6a]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]C[6a]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,5|C<3>}	H(C[6]C[5,6]C[6]H)	108.3690	0.041	2	108.3690	0.002	2	109.0938	0.367	6	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6a]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6a]H)(H)2{9|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	H(C[6]C[5,6]C[6]H)	109.0260	0.000	1	109.0260	0.000	1	109.0938	0.367	6	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6]C[6,6a]C[6a]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6]C[6,6a]C[6a]H)(H)2{1|C<4>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){2|O<2>,3|H<1>,5|C<3>}	H(C[6]C[5,6]C[6]H)	109.5997	0.073	3	109.5997	0.005	3	109.0938	0.367	6	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HN)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(NHS)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HN)(H)2{2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(NHS)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.4702	0.022	8	109.4702	0.000	8	109.4026	0.021	10	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6]C[6,6a]HN)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(NC[6a]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6]C[6,6a]HN)(H)2{1|C<4>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(NC[6a]H)(H){2|O<2>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.1320	0.048	2	109.1320	0.002	2	109.4026	0.021	10	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]CH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(COO)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(COO)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.8220	0.013	2	109.8220	0.000	2	109.8220	0.000	2	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[5,6]C[6a]H)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[5,6]C[6a]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){3|C<3>,3|N<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1580	0.010	2	109.1580	0.000	2	109.1580	0.000	2	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6]2S[6])(C[6]C[5a,6]CH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(COO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2S[6])(C[6]C[5a,6]CH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(COO)(H){1|N<3>,1|S<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.5555	0.019	4	108.5555	0.000	4	108.5555	0.000	4	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[5a,6]C[6a]H)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[5a,6]C[6a]H)(H)2{1|C<4>,2|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.0320	0.092	4	109.0320	0.008	4	109.0320	0.008	4	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6,6a]C[6a]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6,6a]C[6a]H)(H)2{1|C<4>,1|N<3>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	108.6955	0.019	2	108.6955	0.000	2	109.1332	0.254	10	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]C[6a]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]C[6a]H)(H)2{1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	H(C[6]C[6,6]C[6]H)	108.6510	0.030	2	108.6510	0.001	2	109.1332	0.254	10	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6a]C[6a]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6a]C[6a]H)(H)2{1|N<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	109.9690	0.008	2	109.9690	0.000	2	109.1332	0.254	10	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]O[6]2)(C[6]C[6,6a]C[6a]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]O[6]2)(C[6]C[6,6a]C[6a]H)(H)2{7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){2|O<2>,3|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	109.1753	0.107	4	109.1753	0.011	4	109.1332	0.254	10	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]N[6,6]H)(C[6]C[6,6a]N[5]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(N[5]C[5]2)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]N[6,6]H)(C[6]C[6,6a]N[5]H)(H)2{2|C<4>,2|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	110.2475	0.033	2	110.2475	0.001	2	110.2475	0.001	2	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]CH)(H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(CCH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]CH)(H)2{1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(CCH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.6395	1.540	4	108.4068	1.927	6	108.4068	1.927	6	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]CH)(H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(CCH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]CH)(H)2{1|C<3>,1|N<2>,1|O<2>,4|C<4>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(CCH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	107.9415	1.367	2	108.4068	1.927	6	108.4068	1.927	6	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]C[6a]H)(H)2	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]C[6a]H)(H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,3|C<4>,5|C<3>}	H(C[6]C[6,6]C[6]H)	108.1520	0.032	4	108.1520	0.001	4	108.1520	0.001	4	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HN)(H)2	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(NCC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HN)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(NCC)(H){3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	107.9985	0.077	2	107.9985	0.006	2	107.9985	0.006	2	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]N[5a]C[6]H)(H)2	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]N[5a]C[6]H)(H)2{1|C<3>,1|N<2>,1|O<1>,2|H<1>,4|C<4>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]O)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0050	0.042	2	109.0050	0.002	2	109.0050	0.002	2	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2{1|C<4>,2|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.6460	0.023	2	109.6460	0.001	2	109.6460	0.001	2	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]2S[6])(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]2S[6])(H)2{1|C<4>,4|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|N<3>,1|S<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	108.3358	0.140	5	108.3358	0.019	5	108.3358	0.019	5	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]2)(H)2{1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.4698	0.246	8	109.4894	0.049	10	109.4894	0.049	10	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]2)(H)2{1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){2|O<2>,3|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	109.5680	0.013	2	109.4894	0.049	10	109.4894	0.049	10	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(F)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FH)(NSS)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(F)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FH)(NSS)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2F)	109.1530	0.429	3	109.1530	0.184	3	109.1530	0.184	3	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	N[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HO)(F)(H)	C[6](N[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]H)(H)	H(C[6]C[6]2F)	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HO)(F)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[6]2F)	109.6840	0.000	1	109.6840	0.000	1	109.6840	0.000	1	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(NCH)(H){3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8773	0.149	4	108.8773	0.022	4	108.8773	0.022	4	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]C[6]CC)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]CC)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CCH)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.5200	0.041	2	108.5200	0.002	2	109.0153	0.249	6	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(COO)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8630	0.000	1	108.8630	0.000	1	109.0153	0.249	6	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]O[6]HO)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6]O[6]HO)(H)2{2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(COO)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	H(C[6]C[6]2H)	109.6160	0.044	2	109.6160	0.002	2	109.0153	0.249	6	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[5a,6]CH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[5a,6]CH)(H)2{1|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(COO)(H){1|C<2>,1|H<1>,2|C<3>,2|N<3>}	H(C[6]C[6]2H)	108.9570	0.000	1	108.9570	0.000	1	109.0153	0.249	6	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NHS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NHS)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0415	0.006	2	109.1308	0.011	4	108.9650	0.073	6	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NHS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NHS)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2200	0.024	2	109.1308	0.011	4	108.9650	0.073	6	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HN)(C[6]S[6]CH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HN)(C[6]S[6]CH)(H)2{2|C<3>,2|O<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(NCH)(H){1|C<3>,1|C<4>,1|S<2>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	108.6335	0.019	2	108.6335	0.000	2	108.9650	0.073	6	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.2765	0.018	2	109.2143	0.004	6	109.2492	0.011	12	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1833	0.051	4	109.2143	0.004	6	109.2492	0.011	12	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1200	0.010	2	109.1200	0.000	2	109.2492	0.011	12	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]O)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4120	0.010	2	109.3660	0.003	4	109.2492	0.011	12	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]O)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.3200	0.010	2	109.3660	0.003	4	109.2492	0.011	12	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]S)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]S)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0073	0.233	3	109.0073	0.054	3	108.9779	0.479	7	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[5a]N[5a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[5a]N[5a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>,2|N<2>}	H(C[6]C[6]2H)	108.9557	0.959	4	108.9557	0.920	4	108.9779	0.479	7	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CCC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8790	0.004	2	108.8790	0.000	2	108.6584	0.359	8	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCC)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4675	0.026	2	109.4675	0.001	2	108.6584	0.359	8	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]N[6]CO)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CNO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]N[6]CO)(H)2{1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CNO)(H){1|O<1>,1|O<2>,2|C<4>,2|N<3>}	H(C[6]C[6]2H)	108.2450	0.044	2	108.1435	0.014	4	108.6584	0.359	8	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]N[6]CO)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CNO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]N[6]CO)(H)2{2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CNO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|N<2>}	H(C[6]C[6]2H)	108.0420	0.008	2	108.1435	0.014	4	108.6584	0.359	8	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NRuC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NRuC)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.9300	0.000	1	109.9300	0.000	1	109.9300	0.000	1	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(OAl2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(OAl2)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.0935	1.500	4	108.0935	2.250	4	108.0935	2.250	4	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6875	0.011	2	109.6875	0.000	2	108.9928	0.197	9	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]N[5,6]CH)(H)2	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]N[5,6]CH)(H)2{3|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(COO)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.5740	0.006	2	108.5740	0.000	2	108.9928	0.197	9	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]S[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]S[6]HH)(H)2{2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO)(H){1|S<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.8038	0.161	4	108.8038	0.026	4	108.9928	0.197	9	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]CH)(H)2{1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.1970	0.000	1	109.1970	0.000	1	108.9928	0.197	9	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.4350	0.023	2	109.4350	0.001	2	109.4744	0.051	39	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3644	0.251	15	109.3644	0.063	15	109.4744	0.051	39	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCP)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCP)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6997	0.098	4	109.6997	0.010	4	109.4744	0.051	39	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NHS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NHS)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4115	0.019	2	109.4115	0.000	2	109.4744	0.051	39	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(NCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(NCC)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6980	0.017	2	109.6980	0.000	2	109.4744	0.051	39	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HO)(H)2{1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6280	0.004	2	109.6280	0.000	2	109.4744	0.051	39	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]N[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HN)(C[6]N[6]CH)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	109.2155	0.016	2	109.2155	0.000	2	109.4744	0.051	39	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NHS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NHS)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	109.5025	0.147	4	109.5025	0.022	4	109.4744	0.051	39	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NHS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NHS)(H){1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.7730	0.054	2	109.7730	0.003	2	109.4744	0.051	39	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HN)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HN)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]2H)	109.6195	0.009	2	109.6195	0.000	2	109.4744	0.051	39	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HN)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HN)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.3330	0.096	2	109.3330	0.009	2	109.4744	0.051	39	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.8560	0.177	10	109.8560	0.031	10	109.7533	0.087	18	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	110.1980	0.048	2	109.6249	0.136	8	109.7533	0.087	18	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.4338	0.124	6	109.6249	0.136	8	109.7533	0.087	18	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-3:Cl-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]ClC)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(COO)(Cl)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClC)(H)2{1|O<1>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(COO)(Cl){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0785	0.008	2	109.0785	0.000	2	109.3300	0.085	4	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-3:Cl-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClC)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(COO)(Cl)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClC)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(COO)(Cl){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5815	0.056	2	109.5815	0.003	2	109.3300	0.085	4	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8394	0.159	10	108.8394	0.025	10	109.1550	0.118	27	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(COO)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1950	0.000	1	109.2774	0.042	5	109.1550	0.118	27	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(COO)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.2980	0.231	4	109.2774	0.042	5	109.1550	0.118	27	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[3,6,6]O)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|O<1>,3|C<4>}	C[6](C[6]C[3,6,6]O)(C[6]C[6]HH)(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2135	0.005	2	109.2135	0.000	2	109.1550	0.118	27	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CCC)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7160	0.040	2	109.7160	0.002	2	109.1550	0.118	27	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCC)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6390	0.053	3	109.6390	0.003	3	109.1550	0.118	27	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CHN)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3935	0.006	2	109.3935	0.000	2	109.1550	0.118	27	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCC)(H){1|C<4>,1|S<4>,4|C<3>}	H(C[6]C[6]2H)	109.0040	0.007	2	109.0040	0.000	2	109.1550	0.118	27	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(CC[6a]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(CC[6a]C)(H){3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8320	0.000	1	108.8320	0.000	1	109.1550	0.118	27	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2940	0.013	2	109.2940	0.000	2	109.2940	0.000	2	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(NCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(NCC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8930	0.000	1	108.8930	0.000	1	109.4056	0.212	21	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(NCH)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5815	0.112	4	109.5815	0.012	4	109.4056	0.212	21	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HI)(C[6]C[6]HN)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(NHS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HI)(C[6]C[6]HN)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(NHS)(H){1|H<1>,1|I<1>,2|C<4>}	H(C[6]C[6]2H)	108.7733	0.075	4	108.7733	0.006	4	109.4056	0.212	21	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]N[6,6]N)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|N<3>,2|N<2>}	C[6](C[6]N[6,6]N)(C[6]C[6]HH)(NCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6625	0.021	2	109.6625	0.000	2	109.4056	0.212	21	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(NCH)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0863	0.084	4	109.0863	0.007	4	109.4056	0.212	21	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(NCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(NCO)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.9090	0.066	2	109.9090	0.004	2	109.4056	0.212	21	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(NHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(NHN)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.8585	0.012	2	109.8585	0.000	2	109.4056	0.212	21	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2	C[6](C[6]N[6,6a]N)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2{1|N<3>,2|N<2>}	C[6](C[6]N[6,6a]N)(C[6]C[6]HH)(NCH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	110.0005	0.009	2	110.0005	0.000	2	109.4056	0.212	21	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[5,6]HI)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[5,6]HI)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(N[5]C[5]2)(H){1|H<1>,1|I<1>,2|C<3>,2|C<4>,2|O<1>}	H(C[6]C[6]2H)	109.1055	0.343	8	109.1055	0.117	8	109.1055	0.117	8	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:F-1:	C[6]-4:	C[6](C[6]C[6a]C[6]F)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(F)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]F)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(F){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.8295	0.005	2	109.8295	0.000	2	109.4553	0.187	4	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:F-1:	C[6]-4:	C[6](C[6]C[6a]C[6]F)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(F)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]F)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(F){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.0810	0.034	2	109.0810	0.001	2	109.4553	0.187	4	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CO)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CO)(H)2{1|C<4>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.8175	0.024	4	108.8175	0.001	4	109.6060	0.518	74	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CO)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CO)(H)2{1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.4015	0.005	2	109.4015	0.000	2	109.6060	0.518	74	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HO)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HO)(H)2{1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2420	0.018	2	109.2420	0.000	2	109.6060	0.518	74	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2680	0.010	2	109.3055	0.002	4	109.6060	0.518	74	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.3430	0.006	2	109.3055	0.002	4	109.6060	0.518	74	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.4110	0.116	5	109.4110	0.013	5	109.6060	0.518	74	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7090	0.004	2	109.5210	0.047	4	109.6060	0.518	74	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3330	0.025	2	109.5210	0.047	4	109.6060	0.518	74	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.2265	0.019	2	109.2265	0.000	2	109.6060	0.518	74	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.2705	0.022	2	109.2705	0.000	2	109.6060	0.518	74	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.6635	0.009	2	109.6635	0.000	2	109.6060	0.518	74	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2{2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.0940	0.008	2	109.0940	0.000	2	109.6060	0.518	74	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]C)(H)2{1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.1020	0.018	2	109.1020	0.000	2	109.6060	0.518	74	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(H)2{1|C<2>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.5682	0.026	5	109.5682	0.001	5	109.6060	0.518	74	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(H)2{1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|Cl<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.6295	0.026	2	109.6295	0.001	2	109.6060	0.518	74	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.3790	0.004	2	109.3790	0.000	2	109.6060	0.518	74	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(H)2{5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1335	0.026	2	109.1335	0.001	2	109.6060	0.518	74	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(H)2{1|H<1>,1|S<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.1510	0.075	2	110.5217	3.505	4	109.6060	0.518	74	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	111.8925	1.730	2	110.5217	3.505	4	109.6060	0.518	74	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(H)2{1|C<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.5700	0.023	2	109.5700	0.001	2	109.6060	0.518	74	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2{1|C<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6]2H)	109.3992	0.359	4	109.3992	0.129	4	109.6060	0.518	74	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2{1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){2|H<1>,2|O<2>,4|C<3>}	H(C[6]C[6]2H)	109.5930	0.000	1	109.5930	0.000	1	109.6060	0.518	74	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2{1|C<4>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.9895	0.059	4	110.3770	0.938	12	109.6060	0.518	74	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2{1|C<4>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	111.6310	0.372	4	110.3770	0.938	12	109.6060	0.518	74	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2{1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	H(C[6]C[6]2H)	109.5105	0.025	4	110.3770	0.938	12	109.6060	0.518	74	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.4530	0.103	5	109.4530	0.011	5	109.6060	0.518	74	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(H)2{1|C<4>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H){2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.7465	0.012	2	109.7205	0.001	4	109.6060	0.518	74	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(H)2{1|C<4>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H){1|O<1>,2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.6945	0.023	2	109.7205	0.001	4	109.6060	0.518	74	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(H)2{1|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	108.7215	0.033	2	108.7215	0.001	2	109.1856	0.318	131	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(H)2{1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	108.8250	0.056	4	108.8250	0.003	4	109.1856	0.318	131	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[5,6]HH)(H)2{2|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	108.8200	0.071	2	108.8200	0.005	2	109.1856	0.318	131	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]BrH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]BrH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.6785	0.035	2	109.6785	0.001	2	109.1856	0.318	131	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3803	0.037	4	108.9723	0.424	10	109.1856	0.318	131	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5870	0.016	2	108.9723	0.424	10	109.1856	0.318	131	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.2570	0.337	4	108.9723	0.424	10	109.1856	0.318	131	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.5422	0.031	4	108.5422	0.001	4	109.1856	0.318	131	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]ClH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]ClH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	108.9440	0.000	1	108.9440	0.000	1	109.1856	0.318	131	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]ClH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]ClH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.4210	0.017	2	109.4210	0.000	2	109.1856	0.318	131	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]ClH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]ClH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.2905	0.009	2	109.2905	0.000	2	109.1856	0.318	131	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]FH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]FH)(H)2{1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.3460	0.048	4	108.9705	0.163	8	109.1856	0.318	131	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]FH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]FH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	108.5950	0.043	4	108.9705	0.163	8	109.1856	0.318	131	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]FH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]FH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.4380	0.007	2	109.4380	0.000	2	109.1856	0.318	131	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.4875	0.030	2	109.3478	0.741	21	109.1856	0.318	131	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.3750	0.372	6	109.3478	0.741	21	109.1856	0.318	131	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.2851	0.079	8	109.3478	0.741	21	109.1856	0.318	131	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{2|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	110.1785	3.396	2	109.3478	0.741	21	109.1856	0.318	131	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{3|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	108.8133	0.344	3	109.3478	0.741	21	109.1856	0.318	131	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.3716	0.052	8	109.4956	0.040	14	109.1856	0.318	131	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.6570	0.007	2	109.4956	0.040	14	109.1856	0.318	131	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|F<1>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.8945	0.006	2	109.4956	0.040	14	109.1856	0.318	131	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.4315	0.006	2	109.4956	0.040	14	109.1856	0.318	131	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.9692	0.049	6	109.0045	0.010	12	109.1856	0.318	131	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	108.9952	0.018	4	109.0045	0.010	12	109.1856	0.318	131	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|S<4>,2|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.1290	0.233	2	109.0045	0.010	12	109.1856	0.318	131	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|N<2>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(H){3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3610	0.031	2	109.6287	0.103	7	109.1856	0.318	131	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.7358	0.324	5	109.6287	0.103	7	109.1856	0.318	131	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5400	0.027	2	109.5400	0.001	2	109.1856	0.318	131	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HO)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	108.6895	0.038	4	108.6895	0.001	4	109.1856	0.318	131	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HS)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HS)(H)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,1|S<2>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.0255	0.011	2	109.0255	0.000	2	109.1856	0.318	131	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6]O)(H)2{2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|N<3>,1|O<2>,1|S<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.8455	1.143	2	108.8455	1.307	2	109.1856	0.318	131	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]O[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]O[6]H)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.7775	0.009	2	109.7775	0.000	2	109.1856	0.318	131	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]S[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]S[6]H)(H)2{1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|N<3>,1|S<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2808	0.219	6	109.2808	0.048	6	109.1856	0.318	131	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CC)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CC)(H)2{1|C<4>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(H){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	H(C[6]C[6]2H)	109.7175	0.005	2	109.7175	0.000	2	109.1856	0.318	131	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]S[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CH)(H)2{1|S<4>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]S[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,3|H<1>}	H(C[6]C[6]2H)	109.0010	0.000	1	109.0010	0.000	1	109.1856	0.318	131	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(H)2{2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,1|S<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6740	0.023	2	109.6740	0.001	2	109.1856	0.318	131	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CC)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CC)(H)2{1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7053	0.836	7	108.7053	0.699	7	109.1856	0.318	131	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]O[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]O[6]HH)(H)2{1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.9595	0.320	2	109.9595	0.103	2	109.1856	0.318	131	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]O[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]S[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]O[6]HH)(H)2{1|H<1>,1|S<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]S[6]H)(H){1|O<2>,2|C<3>,2|O<1>,4|H<1>}	H(C[6]C[6]2H)	109.1580	0.092	4	109.1580	0.008	4	109.1856	0.318	131	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)2(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]S[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)2(H)2{1|S<4>,2|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]S[6]C)(H){1|N<3>,2|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.9460	0.010	2	108.9460	0.000	2	109.1856	0.318	131	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[4,6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]N[4,6]CH)(C[6]C[6]ClC)(H)2	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]N[4,6]CH)(C[6]C[6]ClC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]HH)(COO)(H){1|Cl<1>,1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.2100	0.000	1	108.2100	0.000	1	108.2100	0.000	1	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]N[5,6]CH)(C[6]C[6]ClC)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]CH)(C[6]C[6]ClC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(COO)(H){1|Cl<1>,1|H<1>,1|O<1>,4|C<4>}	H(C[6]C[6]2H)	108.1850	0.037	2	108.1850	0.001	2	109.0159	0.314	8	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(COO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6155	0.097	2	109.6155	0.009	2	109.0159	0.314	8	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|I<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(COO)(H){1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1315	0.106	4	109.1315	0.011	4	109.0159	0.314	8	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:S-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[5,6]HS)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(SCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[5,6]HS)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(SCO)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[6]C[6]2H)	108.8060	0.016	2	108.8060	0.000	2	108.8060	0.000	2	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](N[5a]N[5a]2)(C[6]C[6]HH)(C[6]N[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|N<2>}	C[6](N[5a]N[5a]2)(C[6]C[6]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	110.0050	0.013	2	110.0050	0.000	2	110.0050	0.000	2	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7835	1.556	2	109.7835	2.422	2	109.7835	2.422	2	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(C[6]C[6]2)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(C[6]C[6]2)(H){1|N<3>,4|C<4>,8|H<1>}	H(C[6]C[6]2H)	109.4175	0.053	4	109.4175	0.003	4	109.4175	0.003	4	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]CH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(COO)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.7875	0.026	2	109.7875	0.001	2	109.4278	0.481	12	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(COO)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1842	0.155	6	109.1842	0.024	6	109.4278	0.481	12	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]N[6]CH)(H)2	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(COO)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.4135	0.012	2	109.4135	0.000	2	109.4278	0.481	12	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]N[6]CH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(COO)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.8135	2.063	2	109.8135	4.254	2	109.4278	0.481	12	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](N[6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5132	0.075	4	109.5132	0.006	4	109.5132	0.006	4	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P[6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]P[6]CH)(H)2	C[6](P[6]C[6a]C[6])(C[6]C[6]HH)(CCP)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]P[6]CH)(H)2{1|H<1>,2|C<3>}	C[6](P[6]C[6a]C[6])(C[6]C[6]HH)(CCP)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.7767	0.045	3	108.7767	0.002	3	108.7767	0.002	3	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]CH)(H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]2)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]2)(H){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6340	0.008	2	109.6340	0.000	2	109.6340	0.000	2	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](N[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CNO)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CNO)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	110.6110	0.247	2	110.6110	0.061	2	110.6110	0.061	2	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:1:	4:	S[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]HN)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(NHH)(H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]HN)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(NHH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	H(C[6]C[6]S[6]H)	111.7630	0.334	2	111.7630	0.111	2	111.7630	0.111	2	109.2696	0.403	517	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]CO)(H)2	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(COO)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]CO)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(COO)(OH){3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.1520	2.130	2	108.1520	4.536	2	108.1520	4.536	2	109.0955	0.544	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]CO)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(COO)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]CO)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(COO)(OH){1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7400	0.076	2	108.7400	0.006	2	108.7400	0.006	2	109.0955	0.544	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6]C[6,6a]C[6]C)(C[6]N[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CN)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6]C)(C[6]N[6]HH)(H)2{1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CN){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.3010	0.040	2	109.3010	0.002	2	109.3010	0.002	2	109.0955	0.544	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(COO)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CO)(H)2{1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(COO)(OC){1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.0170	0.013	2	109.0170	0.000	2	109.0170	0.000	2	109.0955	0.544	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-3:S-2:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CS)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(COO)(SC)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CS)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(COO)(SC){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2030	0.013	2	109.2030	0.000	2	109.2030	0.000	2	109.0955	0.544	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-3:Se-2:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]SeC)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(COO)(SeC)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]SeC)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(COO)(SeC){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7227	0.125	3	109.7227	0.016	3	109.7227	0.016	3	109.0955	0.544	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CC)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CC){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.1150	0.016	2	109.1150	0.000	2	109.1150	0.000	2	109.0955	0.544	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(OH){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.0678	0.019	4	109.0678	0.000	4	109.0678	0.000	4	109.0955	0.544	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6]O)(H)2{2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(OH){1|N<3>,1|S<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2550	1.707	2	109.2550	2.914	2	109.2550	2.914	2	109.0955	0.544	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CC)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(COO)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CC)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(COO)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.6120	0.000	1	109.6120	0.000	1	109.6120	0.000	1	109.1224	0.293	73	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(COO)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6167	0.061	3	109.6167	0.004	3	109.4104	0.082	5	109.1224	0.293	73	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(COO)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1010	0.011	2	109.1010	0.000	2	109.4104	0.082	5	109.1224	0.293	73	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6,6]C[6]N)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(C[6]C[6]2)(NC[6a]Al)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(C[6]C[6]2)(NC[6a]Al){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3997	0.134	4	109.3997	0.018	4	109.3997	0.018	4	109.1224	0.293	73	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:B[5]-3:B[5]-3:	C[6]-4:	C[6](C[6]C[6,6a]B[5]2)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(B[5]O[5]2)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]B[5]2)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,4|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(B[5]O[5]2)2{2|C<3>,3|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.2765	0.028	2	109.2765	0.001	2	109.2765	0.001	2	109.1224	0.293	73	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CC)(H)2{1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.0487	0.309	4	109.0487	0.096	4	109.0487	0.096	4	109.1224	0.293	73	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6,6a]C[6]N)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(C[6]C[6]2)(NC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(C[6]C[6]2)(NC[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1000	0.033	2	109.1000	0.001	2	109.1000	0.001	2	109.1224	0.293	73	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N-3:C-3:	C[6]-4:	C[6](C[6]C[6,6a]CN)(C[6]N[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CN)(C[6]N[6]CC)(H)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(COO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]2H)	109.0080	1.063	6	109.0080	1.131	6	109.0080	1.131	6	109.1224	0.293	73	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CC)(H)2{5|C<3>}	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(COO)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	108.9655	0.013	2	108.9655	0.000	2	108.8081	0.141	7	109.1224	0.293	73	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)2(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)2(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(COO)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	108.2670	0.044	2	108.2670	0.002	2	108.8081	0.141	7	109.1224	0.293	73	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CC)(H)2{1|N<2>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(COO)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]2H)	109.0640	0.070	3	109.0640	0.005	3	108.8081	0.141	7	109.1224	0.293	73	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-3:N-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CN)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CNS)(NCN)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CN)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CNS)(NCN){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4315	0.006	2	109.4315	0.000	2	109.4315	0.000	2	109.1224	0.293	73	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:N-3:N-3:	C[6]-4:	C[6](C[6]C[6]HS)(C[6]C[6]NN)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NOO)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HS)(C[6]C[6]NN)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NOO)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6]2H)	110.6005	0.025	2	110.6005	0.001	2	110.6005	0.001	2	109.1224	0.293	73	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(COO){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4510	0.010	2	109.4510	0.000	2	109.4510	0.000	2	109.1224	0.293	73	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(NHS)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(NHS){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.2050	0.041	2	109.2050	0.002	2	108.8437	0.102	27	109.1224	0.293	73	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NCH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NCH){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	108.8277	0.072	3	108.8277	0.005	3	108.8437	0.102	27	109.1224	0.293	73	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NHH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NHH){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	108.7788	0.136	8	108.8404	0.020	12	108.8437	0.102	27	109.1224	0.293	73	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NHH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NHH){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.9638	0.008	4	108.8404	0.020	12	108.8437	0.102	27	109.1224	0.293	73	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NOO)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NOO){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.3977	0.394	3	109.3977	0.155	3	108.8437	0.102	27	109.1224	0.293	73	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HO)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NHH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HO)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NHH){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.5157	0.167	7	108.5157	0.028	7	108.8437	0.102	27	109.1224	0.293	73	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(CHO)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(CHO){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3960	0.024	2	109.3960	0.001	2	109.7558	0.110	5	109.1224	0.293	73	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6a]N[6]C)(C[6]O[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]C)(C[6]O[6]HH)(H)2{1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(COO){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.9957	0.070	3	109.9957	0.005	3	109.7558	0.110	5	109.1224	0.293	73	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]CC)(H)2	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]CC)(H)2{1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(COO)2{1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.1240	0.229	4	109.1240	0.052	4	109.1240	0.052	4	109.1224	0.293	73	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:C-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6,6a]C[6a]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(CCHH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6,6a]C[6a]C)(H)2{1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(CCHH){1|N<3>,1|O<2>,2|H<1>,6|C<3>}	H(C[6]C[5,6]C[6]H)	108.2515	0.015	2	108.2515	0.000	2	108.2515	0.000	2	108.7800	0.842	52	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.1605	0.037	2	109.1605	0.001	2	109.1605	0.001	2	108.7800	0.842	52	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6]C)(C[6]O[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6]C)(C[6]O[6]CC)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.4225	0.111	2	108.4225	0.012	2	108.6420	0.151	3	108.7800	0.842	52	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6]C)(C[6]O[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6]C)(C[6]O[6]CH)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CH3){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.0810	0.000	1	109.0810	0.000	1	108.6420	0.151	3	108.7800	0.842	52	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]BrC)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]Br)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]BrC)(H)2{1|Br<1>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]Br)(CH3){1|Br<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.5970	0.000	1	108.5970	0.000	1	109.0754	0.248	21	108.7800	0.842	52	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]O[6]O)(CCHH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]O[6]O)(CCHH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.2160	0.011	2	109.2160	0.000	2	109.0754	0.248	21	108.7800	0.842	52	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(CHHN)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(CHHN){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.4570	0.004	2	108.4570	0.000	2	109.0754	0.248	21	108.7800	0.842	52	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(CHHI)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(CHHI){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	108.5825	0.060	2	108.5825	0.004	2	109.0754	0.248	21	108.7800	0.842	52	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	108.7115	0.028	2	108.7115	0.001	2	109.0754	0.248	21	108.7800	0.842	52	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,2|C<3>,2|I<1>,4|H<1>}	H(C[6]C[6]2H)	108.8005	0.043	2	108.7640	0.002	4	109.0754	0.248	21	108.7800	0.842	52	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.7275	0.005	2	108.7640	0.002	4	109.0754	0.248	21	108.7800	0.842	52	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(CCHH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(CCHH){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.9610	0.028	2	109.6655	0.117	4	109.0754	0.248	21	108.7800	0.842	52	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(CCHH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|O<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(CCHH){3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.3700	0.004	2	109.6655	0.117	4	109.0754	0.248	21	108.7800	0.842	52	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]S)(CCHH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]S)(CCHH){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5835	0.057	4	109.5835	0.003	4	109.0754	0.248	21	108.7800	0.842	52	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:N-4:	C[6]-4:	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NCHH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NCHH){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	108.2342	1.602	10	108.2342	2.237	14	108.5736	1.596	22	108.7800	0.842	52	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:N-4:	C[6]-4:	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NCHH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NCHH){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	108.2343	1.411	4	108.2342	2.237	14	108.5736	1.596	22	108.7800	0.842	52	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:N-4:	C[6]-4:	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NH3)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NH3){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1292	0.019	4	109.1292	0.000	4	108.5736	1.596	22	108.7800	0.842	52	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:N-4:	C[6]-4:	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HO)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NH3)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HO)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NH3){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2060	0.012	4	109.2060	0.000	4	108.5736	1.596	22	108.7800	0.842	52	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:3:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(CH3){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	108.3025	0.032	2	108.3025	0.001	2	108.3025	0.001	2	108.7800	0.842	52	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(CCCH)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]CH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(CCCH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	109.2765	0.053	2	109.2765	0.003	2	108.6720	0.306	5	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(CH3)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]CH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	108.2690	0.026	3	108.2690	0.001	3	108.6720	0.306	5	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,4,6]2O)(C[6]N[6]CH)(H)2	C[6](N[6]C[4,6,6]C)(C[6]C[3,6]HH)(CCHH)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,4,6]2O)(C[6]N[6]CH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](N[6]C[4,6,6]C)(C[6]C[3,6]HH)(CCHH)(H){1|O<2>,4|C<4>}	H(C[6]C[3,6]C[6]H)	109.2575	0.418	2	109.2575	0.175	2	109.2575	0.175	2	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3x6]C[4,6,6]C[6,6]O[6])(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[3x6]HH)(CCCH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4,6,6]C[6,6]O[6])(C[6]C[5,6]CH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[3x6]HH)(CCCH)(H){1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[3x6]C[6]H)	108.9781	0.153	7	108.9781	0.023	7	108.9781	0.023	7	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3x6]C[4,6,6]C[6,6]O[6])(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(CCCH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4,6,6]C[6,6]O[6])(C[6]C[6,6]CH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[3x6]C[6]H)	108.8675	0.005	2	108.8675	0.000	2	108.8976	0.001	5	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3x6]C[4,6,6]C[6,6]O[6])(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(CCHH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4,6,6]C[6,6]O[6])(C[6]C[6,6]CH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(CCHH)(H){1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[3x6]C[6]H)	108.9177	0.032	3	108.9177	0.001	3	108.8976	0.001	5	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3x6]C[6,6a]C[6,6]O[6,6])(C[6]C[6,6a]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(CHHN)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[6,6]O[6,6])(C[6]C[6,6a]CH)(H)2{1|C<4>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(CHHN)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[3x6]C[6]H)	109.0165	0.039	2	109.0165	0.002	2	109.0165	0.002	2	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]CH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(CCHO)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]CH)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(CCHO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5,6]C[6]H)	109.0640	0.013	2	109.0640	0.000	2	108.9195	0.015	6	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]CH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(CC[6a]HO)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(CC[6a]HO)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[5,6]C[6]H)	108.8965	0.045	2	108.8965	0.002	2	108.9195	0.015	6	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5a,6]CH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(CCHH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5a,6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.7980	0.013	2	108.7980	0.000	2	108.9195	0.015	6	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a]C[6]H)(H)2	C[6](C[5a]C[5a]O[5a])(C[6]C[5,6]HH)(C[6]C[6]HW)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<2>,1|W<7>,2|C<4>,4|H<1>}	C[6](C[5a]C[5a]O[5a])(C[6]C[5,6]HH)(C[6]C[6]HW)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.9225	0.005	2	109.9225	0.000	2	109.9225	0.000	2	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[3,5]C[5]O[6])(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCCH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5]C[5]O[6])(C[6]C[6,6]CH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCCH)(H){1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.0640	0.008	2	109.0640	0.000	2	108.7779	0.113	11	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[3,5]C[5]O[6])(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCHH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5]C[5]O[6])(C[6]C[6,6]CH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCHH)(H){1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.1505	0.046	2	109.1505	0.002	2	108.7779	0.113	11	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6,6]CH)(H)2{1|C<4>,1|O<2>,4|C<3>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.3787	0.139	3	108.5897	0.074	7	108.7779	0.113	11	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6,6]CH)(H)2{1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.5420	0.020	2	108.5897	0.074	7	108.7779	0.113	11	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6,6]CH)(H)2{1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	108.9540	0.013	2	108.5897	0.074	7	108.7779	0.113	11	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]CH)(H)2{1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC3)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[5,6]C[6]H)	107.9750	0.072	2	107.9750	0.005	2	108.8950	0.528	6	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]CH)(H)2{1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.2020	0.007	2	109.2020	0.000	2	108.8950	0.528	6	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CClHH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CClHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.5080	0.018	2	109.5080	0.000	2	108.8950	0.528	6	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[5]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]C[5]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[5]C[5]2H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]C[5]H)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[5]C[5]2H)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.2265	0.045	2	109.2265	0.002	2	109.2265	0.002	2	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5a]C[6]H)(H)2	C[6](N[5a]C[5a]N[5a])(C[6]C[5,6]HH)(C[6]C[6]HW)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5a]C[6]H)(H)2{1|C<3>,1|N<2>,1|N<3>,1|W<7>,2|C<4>,3|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[5,6]HH)(C[6]C[6]HW)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.7460	0.017	2	109.7460	0.000	2	109.7460	0.000	2	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	C[6](C[5]C[3,5,6,6]C[5])(C[6]C[6,6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[6](C[5]C[3,5,6,6]C[5])(C[6]C[6,6]HH)2(H){1|C<3>,2|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.7215	0.032	4	108.7215	0.001	4	108.6829	0.004	7	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	C[6](C[5]C[5,6]C[5])(C[6]C[6,6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[6](C[5]C[5,6]C[5])(C[6]C[6,6]HH)2(H){1|C<3>,2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.6313	0.059	3	108.6313	0.003	3	108.6829	0.004	7	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CH3)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.7198	0.183	5	108.7198	0.034	5	108.7932	0.031	9	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CCHH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6]CH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7705	0.043	2	108.7705	0.002	2	108.7932	0.031	9	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CCCH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]CH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CCCH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.9995	0.037	2	108.9995	0.001	2	108.7932	0.031	9	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]CH)(H)2{2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.7150	2.121	2	109.7150	4.500	2	109.7150	4.500	2	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6a]C[6]H)(H)2	C[6](C[6a]C[6a,6a]N[6a])(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6a]C[6]H)(H)2{1|C<3>,1|N<2>,4|C<4>,4|H<1>}	C[6](C[6a]C[6a,6a]N[6a])(C[6]C[6,6]HH)(C[6]C[6]HH)(H){3|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8320	0.018	2	108.8320	0.000	2	108.8320	0.000	2	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[5,6]CH)(H)2	C[6](N[5,6]C[5,6]S[5])(C[6]C[6,6]HH)(CCHH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[5,6]CH)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[6](N[5,6]C[5,6]S[5])(C[6]C[6,6]HH)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.7620	0.006	2	109.7620	0.000	2	109.7620	0.000	2	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]N[5a]C[6]H)(H)2	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]CO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]N[5a]C[6]H)(H)2{1|H<1>,1|N<2>,1|O<2>,2|C<3>,5|C<4>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]CO)(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.5100	0.069	2	109.5100	0.005	2	109.5100	0.005	2	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(Br)(H)	C[6](N[5]C[5]S[5])(C[6]C[6]BrH)(C[6]C[6]HH)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6](N[5]C[5]S[5])(C[6]C[6]BrH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|O<1>,4|H<1>}	H(C[6]C[6]2Br)	108.6650	0.000	1	108.6650	0.000	1	108.6650	0.000	1	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(Cl)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]ClH)(CH3)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(Cl)(H){1|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]ClH)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2Cl)	107.6520	0.000	1	107.6520	0.000	1	107.6520	0.000	1	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HH)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HH)(H){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	H(C[6]C[6]2F)	108.7100	0.148	2	109.1132	0.224	4	109.1920	0.139	9	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HH)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HH)(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2F)	109.5165	0.009	2	109.1132	0.224	4	109.1920	0.139	9	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)2(H)	H(C[6]C[6]2F)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]FH)2(H){1|C<4>,2|C<3>,2|F<1>,4|H<1>}	H(C[6]C[6]2F)	109.1565	0.260	4	109.1565	0.068	4	109.1920	0.139	9	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(F)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HO)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(F)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HO)(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2F)	109.6490	0.000	1	109.6490	0.000	1	109.1920	0.139	9	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	B[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](B[5]C[5,6a]P[5])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,4|H<1>}	C[6](B[5]C[5,6a]P[5])(C[6]C[6]HH)2(H){3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3667	0.108	4	109.3667	0.012	4	109.4030	0.010	10	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	B[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](B[5]C[5]N[5])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,4|H<1>}	C[6](B[5]C[5]N[5])(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3330	0.006	2	109.4272	0.009	6	109.4030	0.010	10	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	B[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](B[5]C[5]N[5])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6](B[5]C[5]N[5])(C[6]C[6]HH)2(H){1|P<4>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4742	0.082	4	109.4272	0.009	6	109.4030	0.010	10	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[3]C[3,6]C[3])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[3]C[3,6]C[3])(C[6]C[6]HH)2(H){1|C<4>,2|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.2165	0.053	4	109.2165	0.003	4	109.2165	0.003	4	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[4,6]CH)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4,5,6]C[4])(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[4,6]C[4,5,6]C[4])(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9645	0.013	2	108.9645	0.000	2	108.9645	0.000	2	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[5,6]CH)(H)2{2|C<3>,2|C<4>}	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.2491	0.476	8	108.2491	0.227	8	108.7885	0.160	39	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0725	0.032	2	109.0725	0.001	2	108.7885	0.160	39	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(CH3)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.4277	0.044	3	108.4277	0.002	3	108.7885	0.160	39	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.6940	0.000	1	108.6940	0.000	1	108.7885	0.160	39	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0230	0.054	4	109.0210	0.004	8	108.7885	0.160	39	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCCH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.0190	0.076	4	109.0210	0.004	8	108.7885	0.160	39	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7981	0.058	8	108.8429	0.008	11	108.7885	0.160	39	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	108.9623	0.012	3	108.8429	0.008	11	108.7885	0.160	39	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CC[6a]CH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CC[6a]CH)(H){1|Se<2>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.1833	0.014	4	109.1833	0.000	4	108.7885	0.160	39	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]O[6]CH)(H)2	C[6](C[5,6]C[5,6]2)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>}	C[6](C[5,6]C[5,6]2)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.2315	0.021	2	109.2315	0.000	2	108.7885	0.160	39	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3062	0.067	6	109.3062	0.004	6	109.2057	0.074	7	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	108.6030	0.000	1	108.6030	0.000	1	109.2057	0.074	7	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5,6,6]S[5])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[6](C[5]C[5,6,6]S[5])(C[6]C[6]HH)2(H){1|C<3>,1|S<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1527	0.062	3	109.1527	0.004	3	109.3963	0.036	30	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5,6a]C[5])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[5]C[5,6a]C[5])(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3030	0.092	4	109.3030	0.009	4	109.3963	0.036	30	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5]N[5])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[5]C[5]N[5])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	H(C[6]C[6]2H)	109.3834	0.095	20	109.3834	0.009	20	109.3963	0.036	30	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]N[5]O[5])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[5]N[5]O[5])(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8497	0.033	3	109.8497	0.001	3	109.3963	0.036	30	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[5]C[5]2C)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[5]C[5]2C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	108.9075	0.012	2	108.9075	0.000	2	108.9075	0.000	2	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]C[6]CC)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]2H)	108.9270	0.038	2	108.9270	0.001	2	109.0565	0.170	17	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]C[6]FF)(H)2	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]FF)(H)2{1|N<2>,1|N<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|C<3>,2|F<1>}	H(C[6]C[6]2H)	109.6710	0.006	2	109.6710	0.000	2	109.0565	0.170	17	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2195	0.023	2	109.2195	0.001	2	109.0565	0.170	17	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9865	0.019	2	108.9865	0.000	2	109.0565	0.170	17	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CClHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CClHH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.3515	0.022	2	109.3515	0.000	2	109.0565	0.170	17	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCoHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCoHH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.0837	0.103	3	109.0837	0.011	3	109.0565	0.170	17	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]C[6]HO)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HO)(H)2{1|C<2>,1|C<3>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	108.8590	0.021	2	108.8590	0.000	2	109.0565	0.170	17	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]C[6]HO)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CHHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CHHN)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[6]C[6]2H)	108.3400	0.754	2	108.3400	0.568	2	109.0565	0.170	17	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HN)(C[6]S[6]CH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(NCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HN)(C[6]S[6]CH)(H)2{2|C<3>,2|O<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(NCHH)(H){1|C<3>,1|C<4>,1|S<2>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	108.8340	0.018	2	108.8340	0.000	2	108.8340	0.000	2	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[5a]N[6]H)(H)2	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[5a]N[6]H)(H)2{1|C<4>,2|H<1>,5|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H){2|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.6540	0.000	1	108.6540	0.000	1	109.3681	0.284	115	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5190	0.000	1	108.5190	0.000	1	109.3681	0.284	115	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CO)(H)2	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CO)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H){1|C<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8220	0.016	2	108.8220	0.000	2	109.3681	0.284	115	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5a]C[5a,6a]C[5,5a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[5a]C[5a,6a]C[5,5a])(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3355	0.315	4	109.3355	0.099	4	109.3681	0.284	115	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CN)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|H<1>,3|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	106.9920	2.667	2	106.9920	7.114	2	109.3681	0.284	115	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H){1|C<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2245	0.006	2	109.4858	0.058	5	109.3681	0.284	115	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.6600	0.042	3	109.4858	0.058	5	109.3681	0.284	115	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]HW)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|W<7>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]HW)(H){3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.1360	0.047	2	109.1360	0.002	2	109.3681	0.284	115	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4117	1.094	4	109.5323	0.534	8	109.3681	0.284	115	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.6527	0.100	4	109.5323	0.534	8	109.3681	0.284	115	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)2(H){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3786	0.073	7	109.3786	0.005	7	109.3681	0.284	115	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5a]N[5a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[5a]N[5a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3715	0.502	4	109.3715	0.252	4	109.3681	0.284	115	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5a]N[5a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[5a]N[5a]2)(C[6]C[6]HH)2(H){2|C<4>,2|N<2>,4|H<1>}	H(C[6]C[6]2H)	109.6125	0.068	4	109.6125	0.005	4	109.3681	0.284	115	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5a]N[5a]O[5a])(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[5a]N[5a]O[5a])(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7657	0.284	4	109.7657	0.081	4	109.3681	0.284	115	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5a]N[5a]O[5a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[6](C[5a]N[5a]O[5a])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6]2H)	109.4695	0.025	4	109.4557	0.026	10	109.3681	0.284	115	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5a]N[5a]O[5a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[6](C[5a]N[5a]O[5a])(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4465	0.213	6	109.4557	0.026	10	109.3681	0.284	115	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,4|H<1>}	C[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3487	0.069	4	109.3487	0.005	4	109.3681	0.284	115	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]CH)(H)2	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H){2|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.8045	0.009	2	109.8045	0.000	2	109.3681	0.284	115	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H){1|N<3>,1|N<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.1853	0.111	3	109.1853	0.012	3	109.3681	0.284	115	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2(H){1|N<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.9137	0.962	3	109.4065	0.173	23	109.3681	0.284	115	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2(H){1|N<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4243	0.056	4	109.4065	0.173	23	109.3681	0.284	115	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.9766	0.097	5	109.4065	0.173	23	109.3681	0.284	115	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2(H){1|N<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5845	0.101	4	109.4065	0.173	23	109.3681	0.284	115	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3255	0.082	4	109.4065	0.173	23	109.3681	0.284	115	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2(H){2|C<3>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.4630	0.062	3	109.4065	0.173	23	109.3681	0.284	115	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.2740	0.048	4	109.2740	0.002	4	109.3681	0.284	115	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[5a]N[5a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[5a]N[5a]2)(C[6]C[6]HH)2(H){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3773	0.215	3	109.3773	0.046	3	109.3681	0.284	115	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[5a]N[5a]O[5a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[5a]N[5a]O[5a])(C[6]C[6]HH)2(H){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.4601	0.188	11	109.4601	0.035	11	109.3681	0.284	115	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|S<2>,2|H<1>}	C[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4391	0.139	11	109.4391	0.019	11	109.3681	0.284	115	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[4]O[6]C)(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4]O[6]C)(C[6]C[6,6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.1240	0.010	2	108.1240	0.000	2	108.8358	0.322	26	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[4]O[6]C)(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4]O[6]C)(C[6]C[6,6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H){1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.2539	0.154	9	108.2539	0.024	9	108.8358	0.322	26	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCCH)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4165	0.012	2	109.2728	0.028	4	108.8358	0.322	26	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCCH)(H){3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1290	0.049	2	109.2728	0.028	4	108.8358	0.322	26	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.0540	0.017	2	109.0857	0.002	7	108.8358	0.322	26	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.1287	0.038	3	109.0857	0.002	7	108.8358	0.322	26	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0530	0.006	2	109.0857	0.002	7	108.8358	0.322	26	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]O[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]O[6]HH)(H)2{2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6268	0.057	4	109.6268	0.003	4	108.8358	0.322	26	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.2733	0.166	4	109.2733	0.028	4	109.2733	0.028	4	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NIrHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NIrHH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6690	0.013	2	109.6690	0.000	2	109.7205	0.019	11	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NMnCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NMnCH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6136	0.060	5	109.6136	0.004	5	109.7205	0.019	11	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NRuCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NRuCH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.8665	0.098	2	109.8665	0.010	2	109.7205	0.019	11	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NRuHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NRuHH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.8935	0.032	2	109.8935	0.001	2	109.7205	0.019	11	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HP)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(PC[6a]2O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HP)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(PC[6a]2O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	106.7610	1.469	2	106.7610	2.159	2	106.7610	2.159	2	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]BrH)(C[6]C[6,6a]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]BrH)(C[6]C[6,6a]CH)(H)2{1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.6400	0.000	1	109.6400	0.000	1	109.1319	0.390	120	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]O)(C[6]C[6,6a]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]O)(C[6]C[6,6a]CH)(H)2{1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	109.2005	0.019	2	109.2005	0.000	2	109.1319	0.390	120	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(H)2	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(H)2{3|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H){3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.4010	0.334	16	108.4010	0.111	16	109.1319	0.390	120	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]FH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]FH)(H)2{1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	108.7500	0.028	2	109.0512	0.174	6	109.1319	0.390	120	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]FH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]FH)(H)2{1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	H(C[6]C[6]2H)	108.8150	0.017	2	109.0512	0.174	6	109.1319	0.390	120	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]FH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]FH)(H)2{1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.5885	0.009	2	109.0512	0.174	6	109.1319	0.390	120	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9460	0.034	2	108.9460	0.001	2	109.1319	0.390	120	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.1480	0.000	1	109.1480	0.000	1	109.1319	0.390	120	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3010	0.006	2	109.3010	0.000	2	109.1319	0.390	120	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CClHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CClHH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.3594	0.115	5	109.3594	0.013	5	109.1319	0.390	120	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.7570	0.112	6	109.5427	0.082	12	109.1319	0.390	120	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.1972	0.162	4	109.5427	0.082	12	109.1319	0.390	120	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.5905	0.023	2	109.5427	0.082	12	109.1319	0.390	120	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHO)(H){3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4535	0.009	2	109.4535	0.000	2	109.1319	0.390	120	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]CC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]CC)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.6612	1.583	8	108.6612	2.506	8	109.1319	0.390	120	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.4640	0.010	2	109.4640	0.000	2	109.1319	0.390	120	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7120	0.007	2	109.7120	0.000	2	109.1319	0.390	120	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHOP)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHOP)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2420	0.008	2	109.2420	0.000	2	109.1319	0.390	120	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2480	0.016	2	109.2480	0.000	2	109.1319	0.390	120	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HS)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HS)(H)2{1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|C<3>}	H(C[6]C[6]2H)	109.2175	0.023	2	109.3839	0.049	20	109.1319	0.390	120	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HS)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HS)(H)2{1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4023	0.226	18	109.3839	0.049	20	109.1319	0.390	120	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]N[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]CC)(H)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.6675	0.019	2	108.6675	0.000	2	109.1319	0.390	120	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	110.7030	1.293	2	110.7030	1.671	2	109.1319	0.390	120	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9555	0.005	2	108.9555	0.000	2	109.1319	0.390	120	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4135	0.019	2	109.4135	0.000	2	109.1319	0.390	120	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1520	0.062	2	109.1520	0.004	2	109.1319	0.390	120	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]CO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]CO)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[6]C[6]2H)	108.9343	0.156	3	108.9343	0.024	3	109.1319	0.390	120	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]CO)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CHHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]CO)(H)2{2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CHHN)(H){1|C<4>,2|O<2>,3|C<3>}	H(C[6]C[6]2H)	108.8235	0.008	2	108.8235	0.000	2	109.1319	0.390	120	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]HN)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]HN)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4460	0.028	2	109.4460	0.001	2	109.1319	0.390	120	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]HO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]HO)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H){2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	108.7805	0.019	2	108.7805	0.000	2	109.1319	0.390	120	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]HO)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CCHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]HO)(H)2{2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CCHO)(H){1|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6]2H)	109.0890	0.030	2	109.0890	0.001	2	109.1319	0.390	120	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]CH)(H)2{6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6]2H)	109.5550	0.074	2	109.5550	0.005	2	109.1319	0.390	120	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]CH)(H)2{1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.0155	0.034	4	109.0155	0.001	4	109.1319	0.390	120	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(H)2{1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.1178	0.098	4	109.2260	0.034	6	109.1319	0.390	120	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.4425	0.016	2	109.2260	0.034	6	109.1319	0.390	120	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]CH)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|O<1>,2|C<3>,3|O<2>}	H(C[6]C[6]2H)	108.7600	0.041	2	108.7600	0.002	2	109.1319	0.390	120	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCHH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2813	0.134	3	109.2813	0.018	3	109.2813	0.018	3	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[5]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2H)(H){2|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6]2H)	109.3675	0.013	2	109.3675	0.000	2	109.3675	0.000	2	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HP)(C[6]N[6]HP)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(PC[6a]2O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HP)(C[6]N[6]HP)(H)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(PC[6a]2O)(H){1|N<3>,1|P<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4540	0.034	2	109.4540	0.001	2	109.4540	0.001	2	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HS)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HS)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.1355	3.477	2	109.1355	12.088	2	109.1355	12.088	2	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:B-4:H-1:	C[6]-4:	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(BC[6a]2C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(BC[6a]2C)(H){3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6390	0.010	2	108.6390	0.000	2	108.6390	0.000	2	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:F-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CF)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HN)(F)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CF)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HN)(F){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2283	0.028	4	109.2283	0.001	4	109.2283	0.001	4	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CC[5]HO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CC[5]HO)(H){2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.1005	0.086	2	108.1005	0.007	2	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	108.8413	0.022	3	108.9202	0.013	5	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.0385	0.059	2	108.9202	0.013	5	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(H){1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3345	0.088	4	109.3345	0.008	4	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4540	0.035	2	109.2473	0.034	6	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCCH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1440	0.116	4	109.2473	0.034	6	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CCHH)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4265	0.032	2	109.4265	0.001	2	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9195	0.033	2	108.9195	0.001	2	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CH3)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5745	0.011	2	109.5745	0.000	2	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	109.1645	0.018	2	109.1645	0.000	2	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.7700	0.018	2	109.7700	0.000	2	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5a,6]N)(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,1|S<2>}	C[6](C[6]C[5a,6]N)(C[6]C[6]HH)(CHHO)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.4060	1.942	2	108.4060	3.770	2	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.9170	0.281	4	108.9170	0.079	4	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.4340	0.033	4	109.4340	0.001	4	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.8820	0.014	2	108.8820	0.000	2	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1730	0.018	2	109.3439	0.099	8	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5913	0.244	4	109.3439	0.099	8	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0200	0.017	2	109.3439	0.099	8	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7905	0.029	2	109.2483	0.102	13	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4427	0.069	3	109.2483	0.102	13	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0399	0.155	8	109.2483	0.102	13	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	108.8580	0.611	2	108.8580	0.373	2	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	108.6780	0.047	9	108.6780	0.002	9	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CCCH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0740	0.018	3	109.0740	0.000	3	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[5]CH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[5]CH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0475	0.026	2	109.0475	0.001	2	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[6a]CH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[6a]CH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2555	0.066	8	109.2555	0.004	8	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[6a]HN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[6a]HN)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0870	0.034	2	109.0870	0.001	2	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6285	1.216	2	109.6285	1.477	2	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]C[5])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{3|C<3>}	C[6](C[6]C[6,6a]C[5])(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.1875	0.011	2	108.9940	0.050	4	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]C[5])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{3|C<3>}	C[6](C[6]C[6,6a]C[5])(C[6]C[6]HH)(CH3)(H){2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.8005	0.032	2	108.9940	0.050	4	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{3|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	110.4440	1.502	4	110.4440	2.257	4	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{3|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.2665	1.328	6	109.2665	1.765	6	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{3|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	107.8837	2.121	6	107.8837	4.497	6	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|N<2>,2|C<3>}	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1045	0.013	2	109.1045	0.000	2	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CCHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|N<2>,2|C<3>}	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CCHO)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3255	0.037	2	109.3255	0.001	2	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CC[6a]HO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|N<2>,2|C<3>}	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CC[6a]HO)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9867	0.139	3	108.9867	0.019	3	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|N<2>,2|C<3>}	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CHHO)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	110.9135	2.778	2	110.9135	7.719	2	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6350	0.021	2	109.6350	0.000	2	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6]HH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2732	0.332	4	109.2732	0.110	4	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7789	0.528	7	109.7789	0.279	7	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HO)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6325	0.016	2	109.6325	0.000	2	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.5785	0.009	2	108.5785	0.000	2	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	109.3765	0.021	2	109.3765	0.000	2	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCCH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3417	0.129	3	109.3417	0.017	3	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CC[6a]CH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CC[6a]CH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5950	0.054	2	109.5950	0.003	2	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CC[6a]HN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CC[6a]HN)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	107.5175	2.675	2	107.5175	7.156	2	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CF3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CF3)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.1860	0.010	2	109.1860	0.000	2	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CC[6a]CH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CC[6a]CH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8937	0.196	4	108.8937	0.038	4	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CHHO)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.3320	0.024	2	109.3320	0.001	2	109.1659	0.706	151	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]2H)(H)2	C[6](C[6]C[5,6]C[6])(C[6]C[5,6]CO)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]2H)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[6](C[6]C[5,6]C[6])(C[6]C[5,6]CO)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.1575	0.039	2	109.2173	0.006	4	109.1014	0.726	60	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]2H)(H)2	C[6](C[6]C[5,6]C[6])(C[6]C[5,6]CO)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]2H)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[6](C[6]C[5,6]C[6])(C[6]C[5,6]CO)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2770	0.027	2	109.2173	0.006	4	109.1014	0.726	60	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]2H)(H)2	C[6](C[6]C[3,6,6]C)(C[6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]2H)(H)2{2|C<3>,5|C<4>}	C[6](C[6]C[3,6,6]C)(C[6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.3155	0.036	2	108.3155	0.001	2	109.1014	0.726	60	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]2H)(H)2{3|C<3>,4|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6395	0.023	2	108.6395	0.001	2	109.1014	0.726	60	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.7998	0.076	4	109.6598	0.026	13	109.1014	0.726	60	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.4165	0.009	2	109.6598	0.026	13	109.1014	0.726	60	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6494	0.127	7	109.6598	0.026	13	109.1014	0.726	60	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.2511	0.061	8	109.2450	0.003	12	109.1014	0.726	60	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]HH)2(H){1|N<3>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.2328	0.058	4	109.2450	0.003	12	109.1014	0.726	60	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]N[6])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6]C[6,6a]N[6])(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2341	0.116	7	109.2341	0.013	7	109.1014	0.726	60	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]O[6])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[6]O[6])(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	108.2824	1.585	12	108.5266	2.033	16	109.1014	0.726	60	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]O[6])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[6]O[6])(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2590	0.057	4	108.5266	2.033	16	109.1014	0.726	60	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]O[6])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[6](C[6]N[6]O[6])(C[6]C[6]HH)2(H){3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4310	0.114	4	109.4310	0.013	4	109.1014	0.726	60	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HS)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(SC[6a]OO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HS)(H)2{1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(SC[6a]OO)(H){1|C<4>,3|C<3>}	H(C[6]C[6]2H)	109.3155	0.023	2	109.3155	0.001	2	109.3155	0.001	2	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]O[6]H)(C[6]C[6a]C[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]O[6]H)(C[6]C[6a]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.6280	0.030	2	109.6280	0.001	2	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]O[6]H)(C[6]C[6a]C[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]O[6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.3520	0.038	2	109.4273	0.008	4	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]O[6]H)(C[6]C[6a]C[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]O[6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){2|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5025	0.018	2	109.4273	0.008	4	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.2823	0.032	3	110.0141	1.346	15	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.5730	0.133	4	110.0141	1.346	15	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	110.5091	1.436	8	110.0141	1.346	15	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]BrH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]BrH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.5765	0.006	2	109.5765	0.000	2	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CC)(H)2	C[6](C[6a]C[6a,6a]N[6a])(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CC)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a,6a]N[6a])(C[6]C[6,6]HH)(C[6]C[6]HH)(H){3|C<3>,5|C<4>}	H(C[6]C[6]2H)	108.6275	0.049	2	108.6275	0.002	2	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.4470	0.059	2	109.2049	0.030	10	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.1444	0.130	8	109.2049	0.030	10	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.6460	0.033	2	109.6460	0.001	2	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(H)2{1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.0815	0.023	2	109.1448	0.006	4	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(H)2{2|C<4>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2080	0.006	2	109.1448	0.006	4	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2O)(H)2{1|N<3>,4|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.4215	0.019	2	109.4215	0.000	2	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]BrC)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]BrC)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]2H)(C[6]C[6]HH)(H){1|Br<1>,3|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.8345	0.043	2	108.8345	0.002	2	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]BrH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]CH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]BrH)(H)2{1|Cl<1>,1|H<1>,1|S<2>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]CH)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.4740	0.049	2	108.4740	0.002	2	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4333	0.177	4	109.4333	0.031	4	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H)2{3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<2>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0810	0.000	1	109.1630	0.006	5	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H)2{3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1835	0.070	4	109.1630	0.006	5	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.9587	0.089	4	109.0673	0.033	6	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<4>,2|C<2>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2845	0.008	2	109.0673	0.033	6	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.0030	0.023	2	108.9960	0.001	4	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.9890	0.028	2	108.9960	0.001	4	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.0950	0.022	4	108.9773	0.012	10	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.8690	0.074	2	108.9773	0.012	10	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.8685	0.030	2	108.9773	0.012	10	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9590	0.013	2	108.9773	0.012	10	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.3825	0.043	2	109.2543	0.011	6	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(C[6]N[6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.1902	0.025	4	109.2543	0.011	6	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CN)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CN)(H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.2040	0.000	1	109.2040	0.000	1	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CN)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CN)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.5860	0.000	1	108.5860	0.000	1	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(H)2{3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4600	0.021	2	109.4600	0.000	2	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CS)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CS)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|S<2>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.9880	0.008	2	108.8570	0.023	4	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CS)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CS)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|S<3>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.7260	0.035	2	108.8570	0.023	4	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2(H){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5160	0.125	7	109.5160	0.016	7	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.2450	0.017	2	109.2450	0.000	2	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3492	0.068	4	109.3492	0.005	4	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.1587	0.027	4	108.8555	0.270	6	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.2490	0.494	2	108.8555	0.270	6	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.1034	0.088	7	109.1034	0.008	7	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HH)(H){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.4985	0.057	4	109.4985	0.003	4	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.1267	0.044	3	109.1288	0.069	21	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.1291	0.285	18	109.1288	0.069	21	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]CC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]CC)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6130	0.024	2	109.6130	0.001	2	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1530	0.315	2	109.2590	0.049	4	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3650	0.044	2	109.2590	0.049	4	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HO)(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.6700	0.000	1	109.6700	0.000	1	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]CH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]CH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4260	0.000	1	109.4260	0.000	1	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.7027	0.093	6	109.7851	0.030	8	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]HH)(H){3|C<3>,4|H<1>}	H(C[6]C[6]2H)	110.0325	0.026	2	109.7851	0.030	8	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]CH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|S<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]CH)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	H(C[6]C[6]2H)	108.7965	0.075	4	108.7965	0.006	4	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.5110	0.160	3	109.3220	0.615	321	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.7120	0.000	1	109.3220	0.615	321	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|S<2>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1765	0.008	2	109.3220	0.615	321	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|S<3>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.7270	0.028	2	109.3220	0.615	321	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.3537	0.101	4	109.3220	0.615	321	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2433	0.035	4	109.3220	0.615	321	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.3910	0.050	7	109.3220	0.615	321	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.4319	0.184	51	109.3220	0.615	321	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4460	0.006	2	109.3220	0.615	321	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.1724	0.204	10	109.3220	0.615	321	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.3130	0.102	125	109.3220	0.615	321	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.3560	0.078	6	109.3220	0.615	321	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3107	0.085	15	109.3220	0.615	321	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.2860	0.021	2	109.3220	0.615	321	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){3|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.3987	0.165	3	109.3220	0.615	321	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.2716	1.665	28	109.3220	0.615	321	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|F<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.4285	0.117	2	109.3220	0.615	321	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.2969	0.124	9	109.3220	0.615	321	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.2962	1.772	37	109.3220	0.615	321	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.2737	0.114	6	109.3220	0.615	321	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){3|C<3>,5|H<1>}	H(C[6]C[6]2H)	108.0535	0.071	2	109.3220	0.615	321	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[6]C[6]2H)	109.4578	0.073	6	109.3839	0.206	51	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.2981	0.035	7	109.3839	0.206	51	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3982	0.017	4	109.3839	0.206	51	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	108.6112	0.997	4	109.3839	0.206	51	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.4902	0.392	30	109.3839	0.206	51	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]O[6a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6a]C[6a]O[6a])(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.6170	0.021	2	109.6170	0.000	2	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.7300	0.042	4	109.7300	0.002	4	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HH)(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1512	0.103	6	109.1512	0.011	6	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]OO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]OO)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.5040	0.030	2	108.5040	0.001	2	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2{3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.8265	0.047	2	109.8265	0.002	2	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]OO)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]OO)(H)2{2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<1>,2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6]2H)	109.5205	0.015	2	109.5205	0.000	2	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<2>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.1165	0.152	6	109.1165	0.023	6	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2{1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.5703	0.675	8	109.5496	0.413	18	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2{1|C<4>,2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.0415	0.005	2	109.5496	0.413	18	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2{1|C<4>,2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.7858	0.749	6	109.5496	0.413	18	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2{1|C<4>,2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	H(C[6]C[6]2H)	109.2660	0.034	2	109.5496	0.413	18	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2{1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.2095	0.021	2	109.2095	0.000	2	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(H)2{1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	108.8380	0.019	4	108.8027	0.003	6	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(H)2{1|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	108.7320	0.025	2	108.8027	0.003	6	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.4750	0.525	4	109.4750	0.275	4	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	108.7825	0.025	2	109.1730	0.141	5	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(H)2{3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4333	0.168	3	109.1730	0.141	5	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2(H){1|N<2>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.5367	0.055	3	109.5367	0.003	3	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.1853	0.084	3	109.3147	0.141	30	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.1965	0.039	2	109.3147	0.141	30	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.3170	0.672	2	109.3147	0.141	30	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.8210	0.000	1	109.3147	0.141	30	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.2841	0.220	18	109.3147	0.141	30	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.7308	0.770	4	109.3147	0.141	30	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.4897	0.009	3	109.4106	0.085	35	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.4290	0.308	4	109.4106	0.085	35	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.6635	0.021	2	109.4106	0.085	35	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.5760	0.013	2	109.4106	0.085	35	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.5521	0.094	14	109.4106	0.085	35	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.2331	0.179	8	109.4106	0.085	35	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.5570	0.267	2	109.4106	0.085	35	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.2465	0.043	4	109.3712	0.015	12	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.4336	0.098	8	109.3712	0.015	12	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.3785	0.164	4	109.5083	0.057	6	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(H)2{2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.7680	0.008	2	109.5083	0.057	6	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.5525	0.050	2	109.5525	0.003	2	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.5533	0.222	4	109.5533	0.049	4	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.2675	0.091	4	109.5564	0.778	12	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.6995	1.267	6	109.5564	0.778	12	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){2|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.7050	0.020	2	109.5564	0.778	12	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<3>,2|O<2>,5|H<1>}	H(C[6]C[6]2H)	109.5040	0.049	4	109.5040	0.002	4	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)2(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)2(H)2{4|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.5200	0.016	2	109.5145	0.000	4	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)2(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)2(H)2{4|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.5090	0.020	2	109.5145	0.000	4	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)2(H)2	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)2(H)2{1|C<4>,2|C<3>,2|N<2>,4|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.6895	1.639	24	109.6895	2.685	24	109.3448	0.479	728	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(N[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(N[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6700	0.027	2	109.6700	0.001	2	109.6700	0.001	2	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[3]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[3]H)(C[6]C[6]HH)(H)2	C[6](N[3]B[3,4]C[3])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[3]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](N[3]B[3,4]C[3])(C[6]C[6]HH)2(H){1|Fe<8>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.5467	0.054	6	109.5467	0.003	6	109.2523	0.100	15	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[3]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[3]H)(C[6]C[6]HH)(H)2	C[6](N[3]B[3]C[3])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[3]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](N[3]B[3]C[3])(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9510	0.299	4	108.9510	0.089	4	109.2523	0.100	15	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[3]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[3]H)(C[6]C[6]HH)(H)2	C[6](N[3]C[3,6]Nb[3])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[3]H)(C[6]C[6]HH)(H)2{1|Nb<5>,2|C<4>,4|H<1>}	C[6](N[3]C[3,6]Nb[3])(C[6]C[6]HH)2(H){2|N<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2853	0.073	3	109.2853	0.005	3	109.2523	0.100	15	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[3]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[3]H)(C[6]C[6]HH)(H)2	C[6](N[3]C[3]N[3])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[3]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[6](N[3]C[3]N[3])(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.9220	0.078	2	108.9220	0.006	2	109.2523	0.100	15	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[4,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[4,6]CH)(C[6]C[6]HH)(H)2	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]N[4,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]HH)(CH3)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0500	0.000	1	109.0500	0.000	1	109.0500	0.000	1	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[4]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	C[6](N[4]B[3,4]C[4])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](N[4]B[3,4]C[4])(C[6]C[6]HH)2(H){1|Cr<6>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3911	0.180	7	109.3911	0.033	7	109.4479	0.040	107	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[4]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	C[6](N[4]B[4]C[4])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|B<3>,1|C<3>,1|C<4>,4|H<1>}	C[6](N[4]B[4]C[4])(C[6]C[6]HH)2(H){1|B<3>,1|N<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4820	0.081	4	109.5186	0.017	39	109.4479	0.040	107	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[4]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	C[6](N[4]B[4]C[4])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|B<3>,1|C<3>,1|C<4>,4|H<1>}	C[6](N[4]B[4]C[4])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.5446	0.133	5	109.5186	0.017	39	109.4479	0.040	107	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[4]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	C[6](N[4]B[4]C[4])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|B<3>,1|C<3>,1|C<4>,4|H<1>}	C[6](N[4]B[4]C[4])(C[6]C[6]HH)2(H){1|Mn<8>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5520	0.118	6	109.5186	0.017	39	109.4479	0.040	107	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[4]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	C[6](N[4]B[4]C[4])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](N[4]B[4]C[4])(C[6]C[6]HH)2(H){2|Br<1>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5433	0.073	8	109.5186	0.017	39	109.4479	0.040	107	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[4]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	C[6](N[4]B[4]C[4])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](N[4]B[4]C[4])(C[6]C[6]HH)2(H){2|Cl<1>,1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.5956	0.088	9	109.5186	0.017	39	109.4479	0.040	107	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[4]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	C[6](N[4]B[4]C[4])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](N[4]B[4]C[4])(C[6]C[6]HH)2(H){2|Cl<1>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3654	0.154	7	109.5186	0.017	39	109.4479	0.040	107	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[4]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	C[6](N[4]Ga[4]C[4])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|Ga<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](N[4]Ga[4]C[4])(C[6]C[6]HH)2(H){1|Cl<1>,1|Fe<8>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3443	0.064	6	109.4117	0.058	53	109.4479	0.040	107	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[4]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	C[6](N[4]Ga[4]C[4])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|Ga<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](N[4]Ga[4]C[4])(C[6]C[6]HH)2(H){1|Ga<4>,1|I<1>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4213	0.273	26	109.4117	0.058	53	109.4479	0.040	107	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[4]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	C[6](N[4]Ga[4]C[4])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|Ga<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](N[4]Ga[4]C[4])(C[6]C[6]HH)2(H){1|N<3>,2|C<4>,2|I<1>,4|H<1>}	H(C[6]C[6]2H)	109.3119	0.183	7	109.4117	0.058	53	109.4479	0.040	107	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[4]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	C[6](N[4]Ga[4]C[4])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|Ga<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](N[4]Ga[4]C[4])(C[6]C[6]HH)2(H){2|Ga<4>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4727	0.246	14	109.4117	0.058	53	109.4479	0.040	107	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[4]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	C[6](N[4]In[4]C[4])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|In<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](N[4]In[4]C[4])(C[6]C[6]HH)2(H){1|Br<1>,1|Fe<8>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3919	0.095	8	109.3919	0.009	8	109.4479	0.040	107	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[4a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[4a]C[6]H)(C[6]C[6]HH)(H)2	C[6](N[4a]C[4a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]N[4a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[4a]C[4a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,2|N<2>,4|H<1>}	H(C[6]C[6]2H)	109.5078	0.060	5	109.5078	0.004	5	109.5078	0.004	5	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[5,6,6]CH)(C[6]C[3x6]HH)(H)2	C[6](N[5,6,6]C[5,5,6,6]C[5,3x6])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6,6]CH)(C[6]C[3x6]HH)(H)2{1|H<1>,3|C<4>}	C[6](N[5,6,6]C[5,5,6,6]C[5,3x6])(C[6]C[6]HH)(CH3)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.1815	0.188	6	109.1815	0.035	6	109.1815	0.035	6	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[6](N[5,6]C[5,6,6a]C[5])(C[5]C[5]2Fe)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|Fe<10>,2|C<4>,3|C<3>}	C[6](N[5,6]C[5,6,6a]C[5])(C[5]C[5]2Fe)(C[6]C[6]HH)(H){1|Ir<6>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.3720	0.134	3	108.3720	0.018	3	108.3720	0.018	3	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]N[5,6]CH)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]N[5,6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.3700	0.018	2	109.3700	0.000	2	109.4518	0.335	36	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]N[5,6]CH)(H)2	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]N[5,6]CH)(H)2{3|C<3>}	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6]2H)	108.5460	0.006	2	108.5460	0.000	2	109.4518	0.335	36	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[5,6]CH)(H)2	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[5,6]CH)(H)2{1|C<4>,2|C<3>}	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CCCH)(H){1|O<2>,1|P<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3690	0.198	4	109.3690	0.039	4	109.4518	0.335	36	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,5,6]O[5])(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](N[5,6]C[5,5,6]O[5])(C[6]C[6]HH)(CCHH)(H){2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.7669	0.650	8	109.7669	0.422	8	109.4518	0.335	36	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CCHH)(H){2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.6190	0.000	1	109.6190	0.000	1	109.4518	0.335	36	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CHHO)(H){2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.5139	0.098	7	109.5139	0.010	7	109.4518	0.335	36	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0399	0.138	7	109.0399	0.019	7	109.4518	0.335	36	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]O[5])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](N[5,6]C[5,6]O[5])(C[6]C[6]HH)(CH3)(H){3|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.8345	0.704	2	110.8345	0.495	2	109.4518	0.335	36	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]CH)(C[6]C[6]HN)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[6a]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[6a]HH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.8040	0.000	1	108.8040	0.000	1	109.4518	0.335	36	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]CH)(C[6]N[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CHHO)(H){1|N<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4270	0.066	2	109.4270	0.004	2	109.4518	0.335	36	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.2390	0.005	4	109.2390	0.000	4	109.2390	0.000	4	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]CH)(H)2	C[6](N[5]C[5]N[5])(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6](N[5]C[5]N[5])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|Pd<4>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6965	0.264	43	108.6965	0.069	43	109.3548	0.813	210	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](N[5]B[5]C[5])(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](N[5]B[5]C[5])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	H(C[6]C[6]2H)	109.1860	0.027	8	109.1860	0.001	8	109.3548	0.813	210	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](N[5]B[5]C[5])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|B<3>,1|C<3>,1|C<4>,4|H<1>}	C[6](N[5]B[5]C[5])(C[6]C[6]HH)2(H){1|B<4>,1|C<4>,3|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.4960	0.119	4	109.6130	0.030	8	109.3548	0.813	210	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](N[5]B[5]C[5])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](N[5]B[5]C[5])(C[6]C[6]HH)2(H){2|Cl<1>,1|B<3>,1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.7300	0.140	4	109.6130	0.030	8	109.3548	0.813	210	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1550	0.045	2	109.1550	0.002	2	109.3548	0.813	210	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.5475	0.025	4	109.5793	0.032	11	109.3548	0.813	210	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5767	0.151	3	109.5793	0.032	11	109.3548	0.813	210	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6130	0.298	4	109.5793	0.032	11	109.3548	0.813	210	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](N[5]C[5,6]C[5])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[5]C[5,6]C[5])(C[6]C[6]HH)2(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.8192	1.103	4	109.8192	1.218	4	109.3548	0.813	210	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5673	0.097	6	109.5673	0.009	6	109.3548	0.813	210	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)2(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	106.1185	5.004	4	109.3513	3.720	34	109.3548	0.813	210	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.6995	0.113	6	109.3513	3.720	34	109.3548	0.813	210	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.7070	0.043	5	109.3513	3.720	34	109.3548	0.813	210	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8284	0.070	19	109.3513	3.720	34	109.3548	0.813	210	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](N[5]C[5,6a]C[5])(C[6]C[6]N[5]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[5]C[5,6a]C[5])(C[6]C[6]N[5]H)(C[6]C[6]HH)(H){1|Pd<4>,1|C<4>,1|N<3>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.7177	0.324	4	109.7177	0.105	4	109.3548	0.813	210	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](N[5]C[5,6a]Se[5])(C[6]C[6]N[5]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|Se<2>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](N[5]C[5,6a]Se[5])(C[6]C[6]N[5]H)(C[6]C[6]HH)(H){1|Se<2>,1|C<4>,1|N<2>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3612	0.115	4	109.3612	0.013	4	109.3548	0.813	210	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](N[5]C[5]N[5])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](N[5]C[5]N[5])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.8567	0.149	6	109.7535	0.079	23	109.3548	0.813	210	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](N[5]C[5]N[5])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](N[5]C[5]N[5])(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.7171	0.310	17	109.7535	0.079	23	109.3548	0.813	210	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](N[5]C[5]O[5])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](N[5]C[5]O[5])(C[6]C[6]HH)2(H){1|B<4>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3960	0.129	3	109.3960	0.017	3	109.3548	0.813	210	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](N[5]C[5]P[5])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|P<2>,4|H<1>}	C[6](N[5]C[5]P[5])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.5534	0.233	25	109.5534	0.054	25	109.3548	0.813	210	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](N[5]C[5]S[5])(C[6]C[6]BrH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6](N[5]C[5]S[5])(C[6]C[6]BrH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|O<1>,4|H<1>}	H(C[6]C[6]2H)	109.4770	0.010	2	109.4770	0.000	2	109.3548	0.813	210	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](N[5]Ga[4,5]C[5])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|Ga<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](N[5]Ga[4,5]C[5])(C[6]C[6]HH)2(H){1|Cl<1>,1|C<3>,1|C<4>,2|N<4>,5|H<1>}	H(C[6]C[6]2H)	108.4603	0.955	4	108.4603	0.912	4	109.3548	0.813	210	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](N[5]Ga[5]C[5])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|Ga<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](N[5]Ga[5]C[5])(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.6542	0.046	6	109.6542	0.002	6	109.3548	0.813	210	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](N[5]Ge[5]C[5])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|Ge<3>,1|C<3>,1|C<4>,4|H<1>}	C[6](N[5]Ge[5]C[5])(C[6]C[6]HH)2(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<6>,4|H<1>}	H(C[6]C[6]2H)	109.7670	0.075	3	109.7670	0.006	3	109.3548	0.813	210	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](N[5]Se[5]C[5])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|Se<2>,1|C<3>,1|C<4>,4|H<1>}	C[6](N[5]Se[5]C[5])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.8155	0.087	13	109.7580	0.022	16	109.3548	0.813	210	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](N[5]Se[5]C[5])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|Se<2>,1|C<3>,1|C<4>,4|H<1>}	C[6](N[5]Se[5]C[5])(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5087	0.056	3	109.7580	0.022	16	109.3548	0.813	210	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](N[5]Si[5]C[5])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](N[5]Si[5]C[5])(C[6]C[6]HH)2(H){1|C<4>,1|N<2>,2|C<3>,2|C<6>,4|H<1>}	H(C[6]C[6]2H)	109.5083	0.163	4	109.5083	0.027	4	109.3548	0.813	210	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.7200	0.070	4	109.7200	0.005	4	109.3671	0.515	96	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6a]ClH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6a]HH)(H)2{1|Cl<1>,1|H<1>,1|N<2>,3|C<3>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6a]ClH)(C[6]C[6]HH)(H){1|N<2>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	110.0005	0.016	2	110.0005	0.000	2	109.3671	0.515	96	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](N[5a]C[5,5a]C[5a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[5a]C[5,5a]C[5a])(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,2|N<2>,4|H<1>}	H(C[6]C[6]2H)	109.2432	0.140	4	109.2432	0.020	4	109.3671	0.515	96	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](N[5a]C[5a,5a]C[5a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[5a]C[5a,5a]C[5a])(C[6]C[6]HH)2(H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5270	0.031	4	109.5270	0.001	4	109.3671	0.515	96	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.5020	0.055	4	109.5020	0.003	4	109.3671	0.515	96	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.6174	0.308	8	109.5787	0.066	12	109.3671	0.515	96	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,2|N<2>,4|H<1>}	H(C[6]C[6]2H)	109.5012	0.086	4	109.5787	0.066	12	109.3671	0.515	96	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](N[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3967	0.075	3	109.3967	0.006	3	109.3671	0.515	96	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](N[5a]C[5a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[5a]C[5a]2)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.2850	0.096	4	109.5526	0.067	10	109.3671	0.515	96	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](N[5a]C[5a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[5a]C[5a]2)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,2|N<2>,4|H<1>}	H(C[6]C[6]2H)	109.8540	0.025	3	109.5526	0.067	10	109.3671	0.515	96	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](N[5a]C[5a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[5a]C[5a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	H(C[6]C[6]2H)	109.6080	0.029	3	109.5526	0.067	10	109.3671	0.515	96	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](N[5a]C[5a]N[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	H(C[6]C[6]2H)	109.3580	0.007	2	109.3580	0.000	2	109.3671	0.515	96	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	H(C[6]C[6]2H)	109.7895	0.050	4	108.9757	1.406	29	109.3671	0.515	96	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2590	0.024	2	108.9757	1.406	29	109.3671	0.515	96	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,2|N<2>,4|H<1>}	H(C[6]C[6]2H)	107.8075	2.257	4	108.9757	1.406	29	109.3671	0.515	96	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5655	0.105	4	108.9757	1.406	29	109.3671	0.515	96	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){2|C<4>,2|N<2>,4|H<1>}	H(C[6]C[6]2H)	108.8752	1.009	15	108.9757	1.406	29	109.3671	0.515	96	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](N[5a]N[5a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|N<2>,3|H<1>}	C[6](N[5a]N[5a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6]2H)	109.7230	0.000	1	109.7230	0.000	1	109.3671	0.515	96	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](N[5a]N[5a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|N<2>,4|H<1>}	C[6](N[5a]N[5a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7090	0.017	2	109.7090	0.000	2	109.3671	0.515	96	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]N[6]HH)(H)2	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H){1|O<1>,2|C<3>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.4831	0.154	15	109.4831	0.024	15	109.3671	0.515	96	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]N[6]HH)(H)2	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.5530	0.291	4	109.5530	0.085	4	109.3671	0.515	96	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]CH)(C[6]C[6]CH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CHHO)(H){1|S<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	106.7235	2.344	2	106.7235	5.495	2	108.6603	0.801	20	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H){1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0715	0.028	4	109.0715	0.001	4	108.6603	0.801	20	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.7180	0.087	4	108.7180	0.008	4	108.6603	0.801	20	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4515	0.016	2	109.4515	0.000	2	108.6603	0.801	20	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.4805	0.005	2	108.7122	0.032	8	108.6603	0.801	20	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2{2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7895	0.127	6	108.7122	0.032	8	108.6603	0.801	20	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[5]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]N[6]H)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[5]C[5]2Fe)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]N[6]H)(C[6]N[6]HH)(H)2{1|Fe<10>,2|C<4>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[5]C[5]2Fe)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7537	0.236	6	109.7537	0.056	6	109.7537	0.056	6	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]CH)(H)2	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|S<4>}	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	107.0930	1.400	2	107.0930	1.960	2	109.1152	0.634	65	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1053	0.849	6	109.1053	0.721	6	109.1152	0.634	65	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(H)2	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2H)	107.7920	1.885	2	107.7920	3.554	2	109.1152	0.634	65	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(H)2	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	108.9600	0.000	1	108.9600	0.000	1	109.1152	0.634	65	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2{3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CCCH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4035	0.011	2	109.4035	0.000	2	109.1152	0.634	65	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.5200	2.290	2	108.5200	5.242	2	109.1152	0.634	65	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2{3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2337	0.266	18	109.2337	0.071	18	109.1152	0.634	65	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7215	0.033	2	109.7215	0.001	2	109.1152	0.634	65	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2	C[6](N[6]C[6,6a]P)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2{1|P<3>,2|C<3>}	C[6](N[6]C[6,6a]P)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3455	0.062	2	109.3455	0.004	2	109.1152	0.634	65	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]N[6]CH)(H)2	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.5340	0.000	1	109.5340	0.000	1	109.1152	0.634	65	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]N[6]CH)(H)2	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(CC[6a]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|N<2>}	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(CC[6a]HH)(H){2|C<4>,3|C<3>}	H(C[6]C[6]2H)	108.6515	0.011	2	108.5902	0.005	4	109.1152	0.634	65	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]N[6]CH)(H)2	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(CC[6a]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]N[6]CH)(H)2{1|N<2>,2|C<3>}	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(CC[6a]HH)(H){2|C<4>,3|C<3>}	H(C[6]C[6]2H)	108.5290	0.010	2	108.5902	0.005	4	109.1152	0.634	65	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(CCHH)(H){1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.5025	0.033	2	108.5025	0.001	2	109.1152	0.634	65	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(CH3)(H){2|C<4>,2|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.8197	0.200	4	109.8197	0.040	4	109.1152	0.634	65	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](N[6]C[5,6]O)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](N[6]C[5,6]O)(C[6]C[6]HH)(CCHH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3845	0.019	2	109.3845	0.000	2	109.1152	0.634	65	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]CH)(H)2	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]CH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,2|N<3>}	H(C[6]C[6]2H)	108.9915	0.018	2	108.9915	0.000	2	109.1152	0.634	65	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]CH)(H)2	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CC[6a]2H)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CC[6a]2H)(H){1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.4790	0.437	2	109.0990	0.576	4	109.1152	0.634	65	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]CH)(H)2	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CC[6a]2H)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CC[6a]2H)(H){2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.7190	0.014	2	109.0990	0.576	4	109.1152	0.634	65	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]CH)(H)2	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CHHS)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CHHS)(H){2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.7987	0.302	7	109.7987	0.091	7	109.1152	0.634	65	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CBHH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2{3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CBHH)(H){1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.5115	0.841	2	108.5115	0.707	2	109.1152	0.634	65	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](N[6]B[6]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|B<3>,1|C<2>,1|C<4>,4|H<1>}	C[6](N[6]B[6]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.4667	0.131	7	109.4305	0.027	15	109.5293	0.035	63	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](N[6]B[6]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](N[6]B[6]C[6])(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3989	0.194	8	109.4305	0.027	15	109.5293	0.035	63	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|N<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4410	0.043	3	109.6283	0.037	15	109.5293	0.035	63	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.7140	0.222	4	109.6283	0.037	15	109.5293	0.035	63	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)2(H){1|N<2>,4|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.6557	0.178	8	109.6283	0.037	15	109.5293	0.035	63	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](N[6]C[6,6a]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6,6a]C[6])(C[6]C[6]HH)2(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6775	0.136	8	109.6775	0.018	8	109.5293	0.035	63	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](N[6]In[6]C[6])(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|In<4>,1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](N[6]In[6]C[6])(C[6]C[6]HH)(C[6]C[6]HN)(H){2|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6325	0.021	2	109.4629	0.025	15	109.5293	0.035	63	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](N[6]In[6]C[6])(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|In<4>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](N[6]In[6]C[6])(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4368	0.153	13	109.4629	0.025	15	109.5293	0.035	63	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]N[6])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|S<4>,2|H<1>}	C[6](N[6]C[6]N[6])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[6]C[6]2H)	109.6880	0.252	2	109.6880	0.063	2	109.5293	0.035	63	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]N[6]HH)(H)2	C[6](N[6]In[6]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]N[6]HH)(H)2{1|In<4>,1|C<3>,2|C<4>,2|H<1>}	C[6](N[6]In[6]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4657	0.140	8	109.4657	0.019	8	109.5293	0.035	63	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HP)(C[6]N[6]HP)(H)2	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(PC[6a]2O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HP)(C[6]N[6]HP)(H)2{1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(PC[6a]2O)(H){1|H<1>,1|P<4>,2|C<3>}	H(C[6]C[6]2H)	109.4850	0.008	2	109.4850	0.000	2	109.4850	0.000	2	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](N[6a]C[6,6a]C[6a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6a]C[6,6a]C[6a])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.6257	0.164	4	109.6257	0.027	4	109.6585	0.037	37	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](N[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2(H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.9780	0.030	2	109.6219	0.060	13	109.6585	0.037	37	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](N[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.5572	0.204	11	109.6219	0.060	13	109.6585	0.037	37	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](N[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,4|H<1>}	H(C[6]C[6]2H)	109.4735	0.045	4	109.6887	0.027	20	109.6585	0.037	37	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](N[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	H(C[6]C[6]2H)	109.7426	0.135	16	109.6887	0.027	20	109.6585	0.037	37	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PC[3x3,4,3x5,14x6]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PC[3x3,4,3x5,14x6]C[6])(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3353	0.162	13	109.3353	0.026	13	109.3353	0.026	13	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P[3]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]P[3]H)(C[6]C[6]HH)(H)2	C[6](P[3]C[3,3]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[3]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](P[3]C[3,3]2)(C[6]C[6]HH)2(H){1|P<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5812	0.115	6	109.5812	0.013	6	109.5812	0.013	6	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	C[6](P[5]As[5]P[5])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|As<2>,1|C<4>,1|P<3>,4|H<1>}	C[6](P[5]As[5]P[5])(C[6]C[6]HH)2(H){2|C<4>,2|P<3>,4|H<1>}	H(C[6]C[6]2H)	109.2237	0.085	6	109.2467	0.008	13	109.2467	0.008	13	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	C[6](P[5]As[5]P[5])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|As<3>,1|C<4>,1|P<3>,4|H<1>}	C[6](P[5]As[5]P[5])(C[6]C[6]HH)2(H){1|Li<4>,2|C<4>,2|P<3>,4|H<1>}	H(C[6]C[6]2H)	109.2664	0.098	7	109.2467	0.008	13	109.2467	0.008	13	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]P[6]H)(C[6]C[6]CH)(H)2	C[6](P[6]C[6,6a]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](P[6]C[6,6a]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.6270	0.010	2	108.6270	0.000	2	108.6270	0.000	2	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	S[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]S[6]CH)(C[6]S[6]HH)(H)2	C[6](S[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]S[6]CH)(C[6]S[6]HH)(H)2{1|C<4>,1|O<1>}	C[6](S[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)(H){1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8877	0.301	4	108.8877	0.090	4	108.8647	0.056	6	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	S[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]S[6]CH)(C[6]S[6]HH)(H)2	C[6](S[6]C[6,6]O)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]S[6]CH)(C[6]S[6]HH)(H)2{1|C<4>,1|O<1>}	C[6](S[6]C[6,6]O)(C[6]C[6]HH)(CH3)(H){1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8185	0.015	2	108.8185	0.000	2	108.8647	0.056	6	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(N[6]C[6]CH)(H)2	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HO)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HO)(C[6]N[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.8795	0.023	2	108.8795	0.001	2	108.8795	0.001	2	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(N[6]C[6]PdC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CPdHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]PdC)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CPdHH)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	110.4050	0.006	2	110.4050	0.000	2	110.4050	0.000	2	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]CH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]CH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]HH)(H){1|F<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4340	0.042	2	109.4340	0.002	2	109.3104	0.035	5	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]CH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	109.1105	0.050	2	109.1105	0.003	2	109.3104	0.035	5	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]N[6]H)	109.4630	0.000	1	109.4630	0.000	1	109.3104	0.035	5	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	S[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCCH)(H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]CH)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCCH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	H(C[6]C[6]S[6]H)	110.2925	0.006	2	110.2925	0.000	2	110.3882	0.063	12	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	S[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCHH)(H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]CH)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCHH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	H(C[6]C[6]S[6]H)	110.5293	0.104	8	110.5293	0.011	8	110.3882	0.063	12	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:1:	4:	S[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CHHS)(H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]CH)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CHHS)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	H(C[6]C[6]S[6]H)	109.9195	0.009	2	109.9195	0.000	2	110.3882	0.063	12	109.2895	0.474	2171	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]FH)(F)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)2(OH)	H(C[6]C[6]2F)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]FH)2(OH){1|C<4>,2|C<3>,2|F<1>,4|H<1>}	H(C[6]C[6]2F)	109.2400	0.270	2	109.2400	0.073	2	109.1693	0.065	4	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(F)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HH)(OH)	H(C[6]C[6]2F)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(F)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HH)(OH){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2F)	109.0985	0.320	2	109.0985	0.103	2	109.1693	0.065	4	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(OH){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3670	0.047	2	109.2825	0.006	6	109.2825	0.006	6	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(OH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2715	0.009	2	109.2825	0.006	6	109.2825	0.006	6	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(OH){3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.2090	0.064	2	109.2825	0.006	6	109.2825	0.006	6	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[5]C[5]N[5])(C[6]C[6]HH)2(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[5]C[5]N[5])(C[6]C[6]HH)2(OH){1|Pd<4>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1513	0.169	15	109.1513	0.028	15	109.1513	0.028	15	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:C-2:	C[6]-4:	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)(CC)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)(CC){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3620	0.013	2	109.3620	0.000	2	109.3620	0.000	2	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CO)(H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CF3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CO)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CF3)(OH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.5265	0.022	2	109.5265	0.000	2	109.5265	0.000	2	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[5a]C[6]C)(C[6]N[6]HH)(H)2	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(CN)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]C)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(CN){1|N<3>,1|S<2>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.1797	0.021	3	109.1797	0.000	3	109.1797	0.000	3	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2(OH){1|C<4>,1|N<2>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.0374	0.154	20	109.0374	0.024	20	109.0168	0.562	35	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	H(C[6]C[6]2H)	109.2000	0.114	4	109.2000	0.013	4	109.0168	0.562	35	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)2(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)2(OH){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	H(C[6]C[6]2H)	109.2747	0.113	7	109.2747	0.013	7	109.0168	0.562	35	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HO)(H)2	C[6](C[5a]N[5a]2)(C[6]C[6]HH)2(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HO)(H)2{1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[6](C[5a]N[5a]2)(C[6]C[6]HH)2(OH){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.2788	2.291	4	108.2788	5.249	4	109.0168	0.562	35	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]C[5]O)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[5]O)(C[6]C[6]HH)(H)2{1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.0493	0.134	6	109.0493	0.018	6	109.0493	0.018	6	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]CO)(C[6]C[5,6]HO)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CO)(C[6]C[5,6]HO)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[6]C[6]2H)	108.9775	0.043	2	108.9775	0.002	2	109.5395	1.680	6	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCFF)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCFF)(OH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2105	0.012	2	109.2105	0.000	2	109.5395	1.680	6	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]CO)(C[6]O[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[5a]CH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CO)(C[6]O[6]HH)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[5a]CH)(OH){1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	110.4305	2.442	2	110.4305	5.962	2	109.5395	1.680	6	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[3,6]O)(C[6]C[6]HH)(CN)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[3,6]O)(C[6]C[6]HH)(CN){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1600	0.031	4	109.1600	0.001	4	109.1600	0.001	4	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|F<1>,2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.3985	0.037	2	108.3985	0.001	2	108.3985	0.001	2	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CC[5]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CC[5]HH)(OH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7908	0.071	4	108.7908	0.005	4	108.9995	0.683	31	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(OH){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5410	0.025	2	108.5410	0.001	2	108.9995	0.683	31	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)(OC){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8073	0.549	3	108.8073	0.301	3	108.9995	0.683	31	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)(OH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2678	2.352	4	109.2678	5.532	4	108.9995	0.683	31	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)(OO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)(OO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7420	0.025	2	108.7420	0.001	2	108.9995	0.683	31	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CHHO)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CHHO)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	108.6130	0.021	2	108.6130	0.000	2	108.9995	0.683	31	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2{1|N<2>,2|C<3>}	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CH3)(OH){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2645	0.217	4	109.2645	0.047	4	108.9995	0.683	31	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(OC){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4145	0.036	2	109.4145	0.001	2	108.9995	0.683	31	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(OH){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.5075	0.091	2	108.5075	0.008	2	108.9995	0.683	31	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(OC){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4880	0.010	2	109.4880	0.000	2	108.9995	0.683	31	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(OH){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1940	0.006	2	109.1940	0.000	2	108.9995	0.683	31	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HH)(OH){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1350	0.023	2	109.1350	0.001	2	108.9995	0.683	31	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2O)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]HH)2(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2O)(H)2{1|N<3>,4|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)2(OH){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	H(C[6]C[6]2H)	109.3790	0.000	1	109.3790	0.000	1	109.3790	0.000	1	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(H)2	C[6](C[6a]C[5a,6a]N[6a])(C[6]C[6,6a]HH)(C[6]C[6]HH)(CN)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]C[5a,6a]N[6a])(C[6]C[6,6a]HH)(C[6]C[6]HH)(CN){2|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.3120	0.011	2	109.3120	0.000	2	109.2048	0.016	13	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CN)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CN){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.1448	0.045	4	109.1516	0.006	7	109.2048	0.016	13	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CN)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CN){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.1607	0.121	3	109.1516	0.006	7	109.2048	0.016	13	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]N[6]CH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CN)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]N[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CN){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.0865	0.013	2	109.0865	0.000	2	109.2048	0.016	13	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]N[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CN)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CN){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.4020	0.054	2	109.4020	0.003	2	109.2048	0.016	13	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<2>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1172	0.133	6	108.9880	0.895	15	109.0334	0.419	248	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2{1|C<4>,2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.0400	0.031	2	108.9880	0.895	15	109.0334	0.419	248	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2{1|C<4>,2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.8624	1.427	7	108.9880	0.895	15	109.0334	0.419	248	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2{1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2040	0.040	2	109.2040	0.002	2	109.0334	0.419	248	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2{2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.0660	0.006	2	109.0660	0.000	2	109.0334	0.419	248	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2{1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.2034	0.661	8	109.2034	0.436	8	109.0334	0.419	248	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[5,6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.1540	0.014	2	109.1540	0.000	2	109.0334	0.419	248	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[5,6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[5,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	107.0055	2.454	4	107.0055	6.024	4	109.0334	0.419	248	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CC)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HS)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CC)(H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HS)(OH){2|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	107.6453	1.790	4	107.6453	3.204	4	109.0334	0.419	248	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CO)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CO)(H)2{1|O<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	107.7975	0.537	2	107.7975	0.288	2	109.0334	0.419	248	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CO)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HS)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CO)(H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HS)(OH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6720	0.011	2	108.6720	0.000	2	109.0334	0.419	248	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2(OH){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.6538	0.239	4	108.6538	0.057	4	109.0334	0.419	248	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(OSi)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(OSi){4|C<3>,5|H<1>}	H(C[6]C[6]2H)	108.1690	0.000	1	108.1690	0.000	1	109.0334	0.419	248	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1275	0.571	2	108.8435	0.079	12	109.0334	0.419	248	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	108.7867	0.197	10	108.8435	0.079	12	109.0334	0.419	248	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HH)(OH){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.1503	0.027	3	109.1503	0.001	3	109.0334	0.419	248	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.0533	0.124	6	109.0533	0.015	6	109.0334	0.419	248	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	107.7610	1.813	4	108.1578	2.351	6	109.0334	0.419	248	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OH){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.9515	0.032	2	108.1578	2.351	6	109.0334	0.419	248	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]CH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]CH)(OH){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2275	0.156	4	109.2275	0.024	4	109.0334	0.419	248	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.0191	0.189	16	109.0191	0.036	16	109.0334	0.419	248	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC[6])	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC[6]){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.0694	0.069	8	109.0694	0.005	8	109.0334	0.419	248	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4093	0.042	4	109.1009	0.091	16	109.0334	0.419	248	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	108.7458	0.353	4	109.1009	0.091	16	109.0334	0.419	248	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.1163	0.136	6	109.1009	0.091	16	109.0334	0.419	248	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1485	0.019	2	109.1009	0.091	16	109.0334	0.419	248	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]O[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]O[6]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2155	0.062	2	109.2155	0.004	2	109.0334	0.419	248	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2400	0.000	1	109.2400	0.000	1	109.0334	0.419	248	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	108.9820	0.998	4	109.1992	0.049	123	109.0334	0.419	248	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|N<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.3137	0.123	17	109.1992	0.049	123	109.0334	0.419	248	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2767	0.155	11	109.1992	0.049	123	109.0334	0.419	248	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.1863	0.215	10	109.1992	0.049	123	109.0334	0.419	248	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|N<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.1770	0.138	81	109.1992	0.049	123	109.0334	0.419	248	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]O[6]CH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]O[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.6215	0.023	2	109.6215	0.001	2	109.0334	0.419	248	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]O[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC){1|O<2>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.3407	0.217	3	109.3407	0.047	3	109.0334	0.419	248	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:S-2:	C[6]-4:	C[6](C[6]C[6a]C[6]S)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(SC[6a])	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]S)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(SC[6a]){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.0812	0.361	8	109.0812	0.130	8	109.0812	0.130	8	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]CO)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]CO)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CH3)(OH){1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9790	0.050	4	108.9790	0.002	4	108.9790	0.002	4	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]N[5a,6]CO)(C[6]C[6]CC)(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]CO)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CH3)(OH){1|N<2>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	107.2045	1.778	2	107.2045	3.163	2	107.2045	3.163	2	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6]N[5a]C[6]C)(C[6]C[6]HH)(H)2	C[6](N[5a]C[5a]2)(C[6]C[6]HH)2(CC)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[5a]C[5a]2)(C[6]C[6]HH)2(CC){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	H(C[6]C[6]2H)	109.4043	0.081	3	109.4043	0.007	3	109.4043	0.007	3	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C-4:C-2:	C[6]-4:	C[6](C[6]N[6,6]CC)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(CN)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(CN){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	106.3860	1.544	2	106.3860	2.385	2	106.3860	2.385	2	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]N[6]CO)(H)2	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CCHN)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]N[6]CO)(H)2{1|H<1>,2|C<3>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CCHN)(OH){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	108.2255	0.062	2	108.2255	0.004	2	108.2255	0.004	2	109.0332	0.466	399	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6,6a]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)(CCH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6,6a]CC)(H)2{5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)(CCH){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.2055	0.021	2	109.2055	0.000	2	109.2055	0.000	2	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CH3)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CH3)(COO){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2130	0.034	2	109.2130	0.001	2	109.2130	0.001	2	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)(CCH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.0545	0.267	4	109.0545	0.071	4	109.0545	0.071	4	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[5a]C[6]N)(C[6]C[6]HH)(H)2	C[6](C[5a]N[5a]2)(C[6]C[6]HH)2(NHN)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[5a]N[5a]2)(C[6]C[6]HH)2(NHN){2|C<4>,2|N<2>,4|H<1>}	H(C[6]C[6]2H)	109.1576	0.144	8	109.1576	0.021	8	109.1885	0.017	12	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[5a]C[6]N)(C[6]N[6]HH)(H)2	C[6](C[5a]N[5a]2)(C[6]C[6]HH)2(NC[3]H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]N)(C[6]N[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[5a]N[5a]2)(C[6]C[6]HH)2(NC[3]H){1|C<4>,1|N<3>,2|N<2>,4|H<1>}	H(C[6]C[6]2H)	109.2502	0.086	4	109.2502	0.007	4	109.1885	0.017	12	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6,6]CC)(H)2	C[6](C[6,6]C[3,6,6]C[6])(C[6]C[6]HH)(CH3)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6,6]CC)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[3,6,6]C[6])(C[6]C[6]HH)(CH3)(COO){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3105	0.023	2	109.3105	0.001	2	109.3165	0.068	10	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[4,4,6,6]C[6,6])(C[6]C[6]HH)(CH3)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[4,4,6,6]C[6,6])(C[6]C[6]HH)(CH3)(CHH){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.8760	0.066	2	108.8760	0.004	2	109.3165	0.068	10	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(COO){1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5720	0.017	2	109.4340	0.026	4	109.3165	0.068	10	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(COO){3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2960	0.011	2	109.4340	0.026	4	109.3165	0.068	10	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CHHO)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CHHO)(COO){1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5280	0.007	2	109.5280	0.000	2	109.3165	0.068	10	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6,6]C[6]N)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]MgH)(C[6]C[6]2)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]MgH)(C[6]C[6]2){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.8293	0.136	4	108.8293	0.018	4	108.8293	0.018	4	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(COO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4798	0.158	6	109.4874	0.017	9	109.3803	0.029	15	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(COO){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.5027	0.074	3	109.4874	0.017	9	109.3803	0.029	15	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(COO){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.2197	0.053	6	109.2197	0.003	6	109.3803	0.029	15	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:N-3:	C[6]-4:	C[6](C[6]C[6,6a]CN)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)(NHS)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CN)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)(NHS){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.0030	0.035	2	109.0030	0.001	2	109.0030	0.001	2	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(CH3)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(CH3)(COO){1|I<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0371	0.063	7	109.0886	0.008	12	109.0039	0.155	70	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(CH3)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(CH3)(COO){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1606	0.074	5	109.0886	0.008	12	109.0039	0.155	70	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]CC)(H)2{1|Fe<10>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(COO){1|Fe<10>,4|C<4>}	H(C[6]C[6]2H)	108.1165	0.015	2	108.1165	0.000	2	109.0039	0.155	70	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCCH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCCH)(COO){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1460	0.358	2	109.1460	0.128	2	109.0039	0.155	70	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0875	0.244	8	109.1185	0.054	24	109.0039	0.155	70	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0655	0.088	2	109.1185	0.054	24	109.0039	0.155	70	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1437	0.249	14	109.1185	0.054	24	109.0039	0.155	70	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(COO){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5705	0.004	2	109.5705	0.000	2	109.0039	0.155	70	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9735	0.008	2	108.9735	0.000	2	109.0039	0.155	70	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	108.2683	0.387	3	108.3776	0.182	8	109.0039	0.155	70	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.3210	0.454	4	108.3776	0.182	8	109.0039	0.155	70	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.9320	0.000	1	108.3776	0.182	8	109.0039	0.155	70	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCCH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCCH)(COO){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2292	0.129	4	109.2292	0.017	4	109.0039	0.155	70	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(COO){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.8855	0.332	8	108.8855	0.110	8	109.0039	0.155	70	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHHN)(CNO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHHN)(CNO){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4377	0.061	3	109.4377	0.004	3	109.0039	0.155	70	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHHN)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHHN)(COO){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4005	0.009	2	109.4005	0.000	2	109.0039	0.155	70	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)(COO){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6200	0.000	1	108.6200	0.000	1	109.0039	0.155	70	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:N-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CN)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(NOO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CN)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(NOO){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6120	0.020	2	109.6120	0.000	2	109.6120	0.000	2	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:O-3:	C[6]-4:	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]HH)2(ORu2)	H(C[6]C[6]2H)	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)2(ORu2){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.0010	0.077	3	109.0010	0.006	3	109.0010	0.006	3	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CC)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CCO)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CC)(H)2{3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CCO){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.0380	0.000	1	108.0380	0.000	1	108.8897	0.107	55	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(H)2{3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(COO){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.3060	0.000	1	109.3060	0.000	1	108.8897	0.107	55	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]HH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]HH)(COO){3|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.0000	0.031	2	109.0000	0.001	2	108.8897	0.107	55	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(CC[6a]O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(CC[6a]O){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	108.9320	0.040	2	108.9320	0.002	2	108.8897	0.107	55	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CHO)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CHO){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.0658	0.070	4	109.0658	0.005	4	108.8897	0.107	55	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CNO)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CNO){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	108.7834	0.309	7	108.8469	0.075	30	108.8897	0.107	55	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CNO)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CNO){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	108.9202	0.268	4	108.8469	0.075	30	108.8897	0.107	55	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CNO)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CNO){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.0225	0.160	8	108.8469	0.075	30	108.8897	0.107	55	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CNO)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CNO){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	108.7330	0.277	11	108.8469	0.075	30	108.8897	0.107	55	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(COO){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	108.9679	0.128	9	108.9679	0.016	9	108.8897	0.107	55	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]N[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|C<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(CCH){1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	108.9870	1.228	2	108.9870	1.507	2	108.8897	0.107	55	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]N[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(COO){1|N<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	108.8423	0.501	4	108.8423	0.251	4	108.8897	0.107	55	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)(H)2{4|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,2|C<3>,2|O<1>,3|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.4305	0.011	2	109.4305	0.000	2	109.4305	0.000	2	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6]N[5a]C[6]N)(C[6]C[6]HH)(H)2	C[6](N[5a]N[5a]2)(C[6]C[6]HH)2(NOO)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,2|N<2>,4|H<1>}	C[6](N[5a]N[5a]2)(C[6]C[6]HH)2(NOO){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4903	0.130	4	109.4903	0.017	4	109.4903	0.017	4	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]CN)(C[6]N[6]CC)(H)2	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CN)(C[6]N[6]CC)(H)2{1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(COO){1|N<3>,3|C<3>}	H(C[6]C[6]2H)	107.9328	2.206	6	107.9328	4.864	6	107.9328	4.864	6	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6a]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](N[6a]C[6a]2)(C[6]C[6]HH)2(CCO)	H(C[6]C[6]2H)	C[6](C[6]N[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6a]C[6a]2)(C[6]C[6]HH)2(CCO){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	H(C[6]C[6]2H)	109.0348	0.366	4	109.0348	0.134	4	109.0348	0.134	4	109.0178	0.287	197	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]CC)(H)2{1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[5,6]C[6]H)	108.1120	0.018	2	108.1120	0.000	2	108.1120	0.000	2	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	P[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]P[6]CC)(H)2	C[6](P[6]C[6a]C[6])(C[6]C[5,6]HH)(CH3)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]P[6]CC)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](P[6]C[6a]C[6])(C[6]C[5,6]HH)(CH3)2{2|C<3>,2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	107.7280	0.179	4	107.7280	0.032	4	107.7280	0.032	4	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]CC)(H)2{1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2{1|O<1>,2|O<2>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.3000	0.062	6	108.3000	0.004	6	108.4637	0.146	30	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[6]C[6,6]C[6]H)	108.5047	0.417	24	108.5047	0.174	24	108.4637	0.146	30	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]BrH)(CH3)2	H(C[6]C[6]2Br)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]BrH)(CH3)2{1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2Br)	106.9700	0.000	1	106.9700	0.000	1	106.9700	0.000	1	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(CH3){1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5745	0.067	2	108.6367	0.014	3	108.5214	0.343	32	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7610	0.000	1	108.6367	0.014	3	108.5214	0.343	32	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[5a]HO)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[5a]HO)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7865	0.008	2	108.7865	0.000	2	108.5214	0.343	32	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8378	0.460	6	108.5784	0.359	16	108.5214	0.343	32	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.4228	0.640	10	108.5784	0.359	16	108.5214	0.343	32	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	108.0800	0.758	4	108.0800	0.574	4	108.5214	0.343	32	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|C<4>}	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.2020	0.691	4	108.2020	0.478	4	108.5214	0.343	32	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CCHH)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CCHH)2{1|Pt<5>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.2370	0.000	1	109.2370	0.000	1	108.5214	0.343	32	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HO)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HO)(H)2{3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	108.7910	0.013	2	108.7910	0.000	2	108.5214	0.343	32	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.0790	0.000	1	109.1212	0.015	10	109.1136	0.011	14	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2{2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.2270	0.129	4	109.1212	0.015	10	109.1136	0.011	14	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2{3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.0693	0.050	3	109.1212	0.015	10	109.1136	0.011	14	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.0085	0.011	2	109.1212	0.015	10	109.1136	0.011	14	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(CHHO)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(CHHO)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0860	0.004	2	109.0860	0.000	2	109.1136	0.011	14	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(CN[5a]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(CN[5a]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1035	0.037	2	109.1035	0.001	2	109.1136	0.011	14	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5a]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[5a]N[5a]O[5a])(C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]C)(C[6]C[6,6]HH)(H)2{1|N<2>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5a]N[5a]O[5a])(C[6]C[6,6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1410	0.029	3	109.1410	0.001	3	109.1410	0.001	3	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:N[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5a]N[6]C)(C[6]C[6]HH)(H)2	C[6](C[5a]N[5a]2)(C[6]C[6]HH)(N[6]C[6]HH)(CC[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[5a]N[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[5a]N[5a]2)(C[6]C[6]HH)(N[6]C[6]HH)(CC[6]HH){2|C<4>,2|N<2>,4|H<1>}	H(C[6]C[6]2H)	108.9290	0.025	2	108.9290	0.001	2	108.9290	0.001	2	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[5]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[3x6]C[6])(C[5]C[5]O[5]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6])(C[5]C[5]O[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.3555	0.045	2	108.3555	0.002	2	108.3555	0.002	2	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CC)(H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.4300	2.884	2	107.4980	11.425	4	108.6504	1.382	60	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CC)(H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CH3)2{3|H<1>,4|C<4>}	H(C[6]C[6]2H)	106.5660	4.742	2	107.4980	11.425	4	108.6504	1.382	60	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.1740	1.109	2	108.1740	1.229	2	108.6504	1.382	60	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6923	0.135	4	108.6923	0.018	4	108.6504	1.382	60	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0647	0.121	3	108.7902	1.159	33	108.6504	1.382	60	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3490	0.201	6	108.7902	1.159	33	108.6504	1.382	60	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7985	0.040	2	108.7902	1.159	33	108.6504	1.382	60	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8640	0.145	8	108.7902	1.159	33	108.6504	1.382	60	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5305	0.759	2	108.7902	1.159	33	108.6504	1.382	60	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.4348	1.714	12	108.7902	1.159	33	108.6504	1.382	60	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.0400	0.137	5	108.7715	0.175	13	108.6504	1.382	60	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CH3)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.6036	0.453	8	108.7715	0.175	13	108.6504	1.382	60	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]O[6]CO)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]O[6]CO)(H)2{2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<4>,1|O<1>,2|N<3>,2|O<2>}	H(C[6]C[6]2H)	108.5065	0.018	2	108.5065	0.000	2	108.6504	1.382	60	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]N[6]O[6]C)(C[6]C[6,6]CC)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]N[6]O[6]C)(C[6]C[6,6]CC)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|N<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.3980	0.016	2	108.3980	0.000	2	108.6504	1.382	60	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CN)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NCdCH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CN)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NCdCH)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3145	0.053	2	109.3145	0.003	2	109.3145	0.003	2	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[5,6]HH)(H)2	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.1860	0.037	2	108.2170	0.054	4	108.7496	0.607	169	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[5,6]HH)(H)2	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.2480	0.396	2	108.2170	0.054	4	108.7496	0.607	169	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6,6]HH)(H)2	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CCCH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CCCH)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.8415	0.019	2	108.8415	0.000	2	108.7496	0.607	169	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a,6a]C[5,6a])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6,6a]HH)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[5,6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.6185	0.028	2	108.6185	0.001	2	108.7496	0.607	169	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]BrH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]BrH)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|Br<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	106.0730	0.154	2	106.0730	0.024	2	108.7496	0.607	169	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.3365	0.038	4	108.3365	0.001	4	108.7496	0.607	169	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.6949	0.550	7	107.6949	0.303	7	108.7496	0.607	169	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5890	0.836	2	108.5890	0.699	2	108.7496	0.607	169	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.1472	0.056	4	108.8957	0.680	75	108.7496	0.607	169	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.0450	0.028	2	108.8957	0.680	75	108.7496	0.607	169	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.8792	0.981	52	108.8957	0.680	75	108.7496	0.607	169	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.4877	0.035	3	108.8957	0.680	75	108.7496	0.607	169	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.9510	0.180	14	108.8957	0.680	75	108.7496	0.607	169	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(CHHO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(CHHO){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.8875	0.029	2	108.8875	0.001	2	108.7496	0.607	169	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.0192	0.067	6	109.0735	0.012	12	108.7496	0.607	169	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|H<1>,2|N<2>}	H(C[6]C[6]2H)	109.1278	0.123	6	109.0735	0.012	12	108.7496	0.607	169	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]HS)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HS)(H)2{1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3130	0.010	2	109.3130	0.000	2	108.7496	0.607	169	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]N[6,6]HH)(H)2	C[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]N[6,6]HH)(H)2{1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(CH3)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1250	0.130	4	109.1250	0.017	4	108.7496	0.607	169	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]N[6,6]HH)(H)2	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]N[6,6]HH)(H)2{1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4343	0.476	6	109.4061	0.111	14	108.7496	0.607	169	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]N[6,6]HH)(H)2	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]N[6,6]HH)(H)2{1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3849	0.206	8	109.4061	0.111	14	108.7496	0.607	169	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]N[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]N[6]CC)(H)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.0270	0.184	4	108.0270	0.034	4	108.7496	0.607	169	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]N[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.1045	0.124	4	109.1483	0.018	8	108.7496	0.607	169	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]N[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.1920	0.148	4	109.1483	0.018	8	108.7496	0.607	169	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]N[6]O[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]N[6]O[6]C)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|O<2>}	H(C[6]C[6]2H)	108.1560	0.024	2	108.1560	0.001	2	108.7496	0.607	169	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]O[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]O[6]CC)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.0526	0.439	10	108.2011	0.158	16	108.7496	0.607	169	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]O[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]O[6]CC)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6]2H)	108.4485	0.089	6	108.2011	0.158	16	108.7496	0.607	169	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]O[6]CN)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]O[6]CN)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|O<2>}	H(C[6]C[6]2H)	108.1175	0.035	2	108.1175	0.001	2	108.7496	0.607	169	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]CC)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,1|O<1>,2|C<3>,2|O<2>}	H(C[6]C[6]2H)	108.2170	0.000	1	108.2170	0.000	1	108.7496	0.607	169	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHI)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CC)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHI)(CH3){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.1090	0.078	4	109.1090	0.006	4	108.7496	0.607	169	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7500	0.014	2	108.7500	0.000	2	108.8469	0.078	63	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(CH3)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6883	0.026	3	108.6883	0.001	3	108.8469	0.078	63	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]CC)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.0640	0.017	2	108.0640	0.000	2	108.8469	0.078	63	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHO)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHO)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5325	0.015	2	108.5325	0.000	2	108.8469	0.078	63	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|Mn<8>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)(CH3){1|Mn<8>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5785	0.040	2	108.5785	0.002	2	108.8469	0.078	63	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CCHH)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CCHH)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0645	0.019	2	109.0645	0.000	2	108.8469	0.078	63	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(CCHH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(CCHH){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1860	0.024	2	109.1860	0.001	2	108.8469	0.078	63	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCHO)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCHO)(CH3){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0887	0.107	6	109.0887	0.011	6	108.8469	0.078	63	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2595	0.023	2	109.1820	0.018	3	108.8469	0.078	63	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.0270	0.000	1	109.1820	0.018	3	108.8469	0.078	63	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|N<3>,2|C<3>}	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.6540	0.084	6	108.6540	0.007	6	108.8469	0.078	63	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8095	0.011	2	108.9041	0.068	22	108.8469	0.078	63	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9980	0.018	4	108.9041	0.068	22	108.8469	0.078	63	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9643	0.318	12	108.9041	0.068	22	108.8469	0.078	63	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7225	0.016	2	108.9041	0.068	22	108.8469	0.078	63	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6315	0.016	2	108.9041	0.068	22	108.8469	0.078	63	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCCH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCCH)(CH3){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.8330	0.000	1	108.8330	0.000	1	108.8469	0.078	63	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.8370	0.000	1	108.8370	0.000	1	108.8469	0.078	63	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|N<2>,1|O<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.7187	0.057	3	108.7187	0.003	3	108.8469	0.078	63	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHHO)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|N<2>,1|O<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHHO)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9350	0.016	2	108.9350	0.000	2	108.8469	0.078	63	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0825	0.053	2	109.0825	0.003	2	108.8469	0.078	63	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]N[6]CH)(H)2	C[6](C[6]C[5a]N[6])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]N[6]CH)(H)2{1|N<2>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<2>}	H(C[6]C[6]2H)	108.5910	0.006	2	108.5910	0.000	2	108.8469	0.078	63	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]2C)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]2C)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.0340	0.008	2	109.0340	0.000	2	109.0340	0.000	2	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:N-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CN)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(NHHN)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CN)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(NHHN)(CH3){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	107.1365	0.275	2	107.1365	0.076	2	107.1365	0.076	2	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[5]C[5]2H)(C[6]C[6]HH)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,4|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[5]C[5]2H)(C[6]C[6]HH)2{1|C<4>,2|O<1>,4|C<3>,6|H<1>}	H(C[6]C[6]2H)	108.8305	0.297	4	108.8305	0.088	4	108.8305	0.088	4	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CHHO)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(H)2{3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CHHO){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.0225	2.497	2	109.0225	6.234	2	108.7204	0.457	35	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]CH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]CH)(CH3){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	107.1965	1.681	2	107.1965	2.825	2	108.7204	0.457	35	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CCHH){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	108.8370	0.044	4	108.8325	0.005	8	108.7204	0.457	35	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CCHH){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	108.8280	0.101	4	108.8325	0.005	8	108.7204	0.457	35	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CH3){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	108.8913	0.022	3	108.8913	0.000	3	108.7204	0.457	35	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CHHN)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CHHN){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3655	0.056	2	109.3655	0.003	2	108.7204	0.457	35	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CHHO)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CHHO){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	108.6711	0.140	10	108.6711	0.020	10	108.7204	0.457	35	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]O[6]H)(H)2	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2(CHHN)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]O[6]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2(CHHN){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.5320	0.017	4	108.5320	0.000	4	108.7204	0.457	35	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]O[6]HH)(H)2	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2(CHHN)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2(CHHN){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.9680	0.006	4	108.9680	0.000	4	108.7204	0.457	35	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]2H)(C[6]C[6]HH)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)(H)2{1|C<4>,4|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]2H)(C[6]C[6]HH)2{1|C<4>,2|C<3>,2|O<1>,2|O<2>,6|H<1>}	H(C[6]C[6]2H)	109.0764	0.146	21	109.0149	0.067	25	109.0149	0.067	25	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]2H)(C[6]C[6]HH)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)(H)2{1|C<4>,4|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]2H)(C[6]C[6]HH)2{1|C<4>,2|C<3>,2|O<1>,3|O<2>,5|H<1>}	H(C[6]C[6]2H)	108.6920	0.478	4	109.0149	0.067	25	109.0149	0.067	25	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:N[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]N[6])(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(N[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]N[6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(N[6]C[6]2H){10|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.1028	0.290	4	109.1028	0.084	4	109.1028	0.084	4	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6a]C[6]S)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]S)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(SC[6a]OO){1|F<1>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.5545	0.029	8	109.5292	0.002	12	109.5292	0.002	12	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6a]C[6]S)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]S)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(SC[6a]OO){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.4785	0.038	4	109.5292	0.002	12	109.5292	0.002	12	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]N[6,6]CC)(C[6]N[6,6]CH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]CC)(C[6]N[6,6]CH)(H)2{1|Cu<6>,3|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)2{1|C<5>,1|N<4>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5880	0.000	1	109.5880	0.000	1	109.5880	0.000	1	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]N[6]CC)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]N[6]CC)(H)2{1|C<2>,1|C<3>,2|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3590	0.000	1	109.4927	0.014	3	108.7150	0.238	46	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]N[6]CC)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]N[6]CC)(H)2{2|C<3>,2|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2{1|Rh<4>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5595	0.023	2	109.4927	0.014	3	108.7150	0.238	46	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]CC)(H)2	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]CC)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.3512	1.240	4	108.3512	1.538	4	108.7150	0.238	46	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]N[6]CC)(H)2	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]N[6]CC)(H)2{1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.0393	0.153	3	108.0393	0.023	3	108.7150	0.238	46	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]N[6]CC)(H)2	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]CC)(H)2{1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	108.6695	0.015	2	108.6695	0.000	2	108.7150	0.238	46	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]C[5a]C)(C[6]N[6]CC)(H)2	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[5a]C)(C[6]N[6]CC)(H)2{1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	108.0735	0.015	2	108.0735	0.000	2	108.7150	0.238	46	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]CC)(H)2	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]CC)(H)2{3|C<3>}	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)(CH3){2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.9310	0.018	2	108.9310	0.000	2	108.7150	0.238	46	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](N[6]B[3,3]C[6])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|B<4>,1|C<4>,2|H<1>}	C[6](N[6]B[3,3]C[6])(C[6]C[6]HH)(CH3)2{1|Si<5>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.6350	0.043	4	108.6350	0.002	4	108.7150	0.238	46	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(CH3)2{2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.6175	0.011	2	108.4420	0.034	5	108.7150	0.238	46	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(CH3)2{2|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.3250	0.128	3	108.4420	0.034	5	108.7150	0.238	46	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.8947	0.093	21	108.8947	0.009	21	108.7150	0.238	46	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	P[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]P[6]CC)(H)2	C[6](P[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]P[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](P[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.4581	0.191	8	108.4581	0.036	8	108.4581	0.036	8	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	S[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(C[6]S[6]CC)(H)2	C[6](S[6]C[6,6a]O)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]C)(C[6]S[6]CC)(H)2{1|O<1>,4|C<3>}	C[6](S[6]C[6,6a]O)(C[6]C[6]HH)(CH3)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	107.4440	0.025	2	107.4440	0.001	2	107.4440	0.001	2	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	Si[6]-3:C[6]-4:Si-4:Si-4:	C[6]-4:	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2	C[6](Si[6]C[6a]Si[6])(C[6]C[6]HH)(SiC3)2	H(C[6]C[6]2H)	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2{1|Si<3>,2|Si<4>,1|C<3>}	C[6](Si[6]C[6a]Si[6])(C[6]C[6]HH)(SiC3)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	107.9243	0.061	4	107.9147	0.003	6	108.0091	0.036	23	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	Si[6]-3:C[6]-4:Si-4:Si-4:	C[6]-4:	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2	C[6](Si[6]C[6a]Si[6])(C[6]C[6]HH)(SiC3)2	H(C[6]C[6]2H)	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2{1|Si<3>,2|Si<4>,1|C<3>}	C[6](Si[6]C[6a]Si[6])(C[6]C[6]HH)(SiC3)2{1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	107.8955	0.029	2	107.9147	0.003	6	108.0091	0.036	23	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	Si[6]-3:C[6]-4:Si-4:Si-4:	C[6]-4:	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2	C[6](Si[6]Si[6]2)(C[6]C[6]HH)(SiC3)2	H(C[6]C[6]2H)	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2{2|Si<3>,2|Si<4>}	C[6](Si[6]Si[6]2)(C[6]C[6]HH)(SiC3)2{1|Si<3>,1|Si<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.7883	0.024	3	107.7883	0.001	3	108.0091	0.036	23	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	Si[6]-3:C[6]-4:Si-4:Si-4:	C[6]-4:	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2	C[6](Si[6]Si[6]Si)(C[6]C[6]HH)(SiC3)2	H(C[6]C[6]2H)	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2{1|Si<2>,3|Si<4>}	C[6](Si[6]Si[6]Si)(C[6]C[6]HH)(SiC3)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.1170	0.000	1	108.0969	0.037	14	108.0091	0.036	23	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	Si[6]-3:C[6]-4:Si-4:Si-4:	C[6]-4:	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2	C[6](Si[6]Si[6]Si)(C[6]C[6]HH)(SiC3)2	H(C[6]C[6]2H)	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2{1|Si<3>,3|Si<4>}	C[6](Si[6]Si[6]Si)(C[6]C[6]HH)(SiC3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.7075	0.043	2	108.0969	0.037	14	108.0091	0.036	23	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	Si[6]-3:C[6]-4:Si-4:Si-4:	C[6]-4:	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2	C[6](Si[6]Si[6]Si)(C[6]C[6]HH)(SiC3)2	H(C[6]C[6]2H)	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2{1|Si<3>,3|Si<4>}	C[6](Si[6]Si[6]Si)(C[6]C[6]HH)(SiC3)2{1|Si<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.3200	0.070	3	108.0969	0.037	14	108.0091	0.036	23	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	Si[6]-3:C[6]-4:Si-4:Si-4:	C[6]-4:	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2	C[6](Si[6]Si[6]Si)(C[6]C[6]HH)(SiC3)2	H(C[6]C[6]2H)	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2{1|Si<3>,3|Si<4>}	C[6](Si[6]Si[6]Si)(C[6]C[6]HH)(SiC3)2{1|Si<4>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.1081	0.036	8	108.0969	0.037	14	108.0091	0.036	23	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(N[6]C[6]FeC)(H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)2(CFeTeH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]FeC)(H)2{1|N<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)2(CFeTeH){1|C<5>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.1508	0.105	4	110.1508	0.011	4	110.1508	0.011	4	108.7153	0.525	552	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[3,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[3,3x6]C[3,6,6]C[4,6,6]N[3,6])(C[6]O[6]HH)(H)2	C[6](C[6]C[3,3x6]HH)(O[6]C[6])(H)2	H(C[6]C[3,3x6]C[6]H)	C[6](C[3,3x6]C[3,6,6]C[4,6,6]N[3,6])(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[3,3x6]HH)(O[6]C[6])(H)2{1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[3,3x6]C[6]H)	110.4835	0.013	2	110.4835	0.000	2	110.4835	0.000	2	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[3,5,6]C[5,6a]C[3,5]C[3,6])(C[6]O[6]HH)(H)2	C[6](C[6]C[3,5,6]HH)(O[6]C[6])(H)2	H(C[6]C[3,5,6]C[6]H)	C[6](C[3,5,6]C[5,6a]C[3,5]C[3,6])(C[6]O[6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[3,5,6]HH)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[3,5,6]C[6]H)	109.4892	0.058	4	109.4892	0.003	4	109.4892	0.003	4	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6]N[3,6]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]C[3,6,6]HH)(O[6]C[6])(H)2	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6]N[3,6]C[6])(C[6]O[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[3,6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[3,6,6]C[6]H)	109.4260	0.006	2	109.4260	0.000	2	109.4260	0.000	2	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,4,6]O[3]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[3,6]HH)(O[6]C[4,6])(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,4,6]O[3]H)(C[6]O[6]HH)(H)2{2|C<4>}	C[6](C[6]C[3,6]HH)(O[6]C[4,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	110.2445	1.923	2	110.2445	3.696	2	109.5573	0.350	20	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<3>}	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[3,6]C[6]H)	109.4560	0.055	2	109.3192	0.017	5	109.5573	0.350	20	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]HH)(H)2{1|C<3>,1|S<3>,2|H<1>}	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[3,6]C[6]H)	109.2085	0.039	2	109.3192	0.017	5	109.5573	0.350	20	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[3,6]C[6]H)	109.2670	0.000	1	109.3192	0.017	5	109.5573	0.350	20	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(C[6]O[6]HH)(H)2	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[3,6]C[6]H)	109.9706	0.183	5	109.9706	0.033	5	109.5573	0.350	20	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[6]O[3]P[3])(C[6]O[6]HH)(H)2	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[6]O[3]P[3])(C[6]O[6]HH)(H)2{1|W<6>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<2>,1|P<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	109.2458	0.034	4	109.2458	0.001	4	109.5573	0.350	20	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[3,6]N[3,6]C[6a]C[3])(C[6]O[6]HH)(H)2	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]N[3,6]C[6a]C[3])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2{1|C<2>,1|C<3>,1|N<3>,2|C<4>}	H(C[6]C[3,6]C[6]H)	109.3063	0.102	4	109.3063	0.010	4	109.5573	0.350	20	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[3x6]HH)(O[6]C[6,6])(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]O[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3x6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	108.5598	0.717	4	108.5598	0.514	4	108.8132	0.706	5	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[6,6]O[6,6]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]C[3x6]HH)(O[6]C[6])(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]O[6,6]C[6])(C[6]O[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3x6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[3x6]C[6]H)	109.8270	0.000	1	109.8270	0.000	1	108.8132	0.706	5	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[4,6]HH)(O[6]C[6])(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[4,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]H)	107.9010	1.387	2	108.6033	1.300	4	108.6033	1.300	4	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[4,6]HH)(O[6]C[6])(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]O[6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[4,6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	H(C[6]C[4,6]C[6]H)	109.3055	0.063	2	108.6033	1.300	4	108.6033	1.300	4	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]O[6,6]2)(C[6]S[6]HH)(H)2	C[6](C[6]C[4x6]HH)(S[6]C[6])(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]O[6,6]2)(C[6]S[6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[4x6]HH)(S[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[4x6]C[6]H)	108.6830	0.014	2	108.6830	0.000	2	108.6830	0.000	2	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]O[6]HH)(H)2	C[6](C[6]C[5,5,6,6]HH)(O[6]C[6])(H)2	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]O[6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[5,5,6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,5,6,6]C[6]H)	109.2285	0.022	2	109.2285	0.000	2	109.0802	0.030	4	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]O[6]HH)(H)2	C[6](C[6]C[5,5,6,6]HH)(O[6]S[6])(H)2	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]O[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[5,5,6,6]HH)(O[6]S[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|O<1>}	H(C[6]C[5,5,6,6]C[6]H)	108.9320	0.040	2	108.9320	0.002	2	109.0802	0.030	4	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(O[6]C[6])(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]O[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]HH)(O[6]C[6])(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	107.9000	0.703	4	107.9000	0.495	4	108.7332	1.020	8	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(O[6]C[6])(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]O[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6,6]HH)(O[6]C[6])(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	109.7245	0.026	2	109.7245	0.001	2	108.7332	1.020	8	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]O[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(O[6]C[6])(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]O[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.4085	0.009	2	109.4085	0.000	2	108.7332	1.020	8	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]O[6]HH)(Br)(H)	C[6](C[6]C[5,6]BrH)(O[6]C[6])(H)2	H(C[6]C[5,6]C[6]Br)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]O[6]HH)(Br)(H){1|C<3>,1|N<3>,2|C<4>}	C[6](C[6]C[5,6]BrH)(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]Br)	112.8230	0.000	1	112.8230	0.000	1	112.8230	0.000	1	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6])(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]N[6]HH)(H)2{1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(N[6]C[6])(H)2{1|O<2>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.5833	0.111	6	109.5833	0.012	6	109.5833	0.012	6	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[3,5]C[5]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.3597	0.067	4	109.3597	0.004	4	109.5502	0.366	72	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.6005	0.496	2	110.6005	0.246	2	109.5502	0.366	72	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6,6])(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]HH)(O[6]C[6,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3115	0.026	2	109.2470	0.007	4	109.5502	0.366	72	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6,6])(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(O[6]C[6,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1825	0.056	2	109.2470	0.007	4	109.5502	0.366	72	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.0750	0.017	2	109.5877	0.106	12	109.5502	0.366	72	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.8210	0.091	6	109.5877	0.106	12	109.5502	0.366	72	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.7365	0.016	2	109.5877	0.106	12	109.5502	0.366	72	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2{3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.2515	0.005	2	109.5877	0.106	12	109.5502	0.366	72	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]HH)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.2880	0.057	2	109.2880	0.003	2	109.5502	0.366	72	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]HH)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.1141	0.497	7	110.1141	0.247	7	109.5502	0.366	72	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]HH)(H)2{1|H<1>,1|S<4>,3|C<4>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.1630	0.381	4	110.1630	0.145	4	109.5502	0.366	72	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	109.3940	0.025	2	109.3940	0.001	2	109.5502	0.366	72	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]S[5]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]O[6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.1830	0.041	2	110.1830	0.002	2	109.5502	0.366	72	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.0360	0.016	2	109.0060	0.369	13	109.5502	0.366	72	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[6]C[5,6]C[6]H)	108.8239	0.706	8	109.0060	0.369	13	109.5502	0.366	72	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[6]C[5,6]C[6]H)	109.3410	0.000	1	109.0060	0.369	13	109.5502	0.366	72	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(H)2{1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[6]C[5,6]C[6]H)	109.5370	0.021	2	109.0060	0.369	13	109.5502	0.366	72	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]O[6]HH)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]O[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2368	0.104	4	109.2368	0.011	4	109.5502	0.366	72	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]O[6]HH)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]O[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.9423	1.336	4	109.9423	1.784	4	109.5502	0.366	72	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[5,6]HH)(O[6]S[6])(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]C[5,6]HH)(O[6]S[6])(H)2{1|C<4>,1|H<1>,1|N<3>,2|O<1>}	H(C[6]C[5,6]C[6]H)	109.4591	0.200	10	109.4591	0.040	10	109.5502	0.366	72	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]C)(C[6]O[6]HH)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]C)(C[6]O[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(H)2{1|C<2>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.6850	0.027	2	109.6850	0.001	2	109.5502	0.366	72	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]S[6]HH)(H)2	C[6](C[6]C[5,6]HH)(S[6]C[6])(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]S[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(S[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.8083	0.183	3	108.8083	0.034	3	108.8429	0.022	10	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]O)(C[6]S[6]HH)(H)2	C[6](C[6]C[5,6]HH)(S[6]C[6])(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]O)(C[6]S[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>}	C[6](C[6]C[5,6]HH)(S[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	108.7060	0.004	2	108.7060	0.000	2	108.8429	0.022	10	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]S[5]H)(C[6]S[6]HH)(H)2	C[6](C[6]C[5,6]HH)(S[6]C[6])(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]S[6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.9363	0.137	4	108.9363	0.019	4	108.8429	0.022	10	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5a,6]C[5]O[5])(C[6]S[6]HH)(H)2	C[6](C[6]C[5,6]HH)(S[6]C[5a,6])(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5a,6]C[5]O[5])(C[6]S[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[5,6]HH)(S[6]C[5a,6])(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>}	H(C[6]C[5,6]C[6]H)	108.8470	0.000	1	108.8470	0.000	1	108.8429	0.022	10	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]S[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6])(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]S[6])(C[6]N[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6]HH)(N[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<3>,1|S<2>}	H(C[6]C[6,6]C[6]H)	108.9185	0.571	2	108.9185	0.326	2	109.1721	0.770	10	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2S[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6])(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2S[6])(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6])(H)2{1|N<3>,1|S<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.2355	0.959	8	109.2355	0.920	8	109.1721	0.770	10	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.7138	0.019	4	109.7138	0.000	4	109.3768	0.481	93	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5x6]C[6]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[3x6])(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5x6]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[3x6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.0090	0.501	2	108.0090	0.251	2	109.3768	0.481	93	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]O[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.6290	0.096	4	109.6235	0.006	6	109.3768	0.481	93	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]O[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.6125	0.008	2	109.6235	0.006	6	109.3768	0.481	93	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]2)(C[6]O[6]HH)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9460	0.081	2	108.9460	0.006	2	109.3768	0.481	93	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]O[6]HH)(H)2{1|Br<1>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.6740	0.011	2	108.6740	0.000	2	109.3768	0.481	93	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6]HH)(O[6]B[6])(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{1|B<3>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(O[6]B[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.1995	0.005	2	109.1995	0.000	2	109.3768	0.481	93	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[5,6,6])(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[5,6,6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.7830	0.048	2	109.7830	0.002	2	109.3768	0.481	93	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[5,6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.3552	0.031	4	109.3552	0.001	4	109.3768	0.481	93	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.9360	0.105	3	109.4535	0.981	26	109.3768	0.481	93	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.1091	1.477	11	109.4535	0.981	26	109.3768	0.481	93	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.5945	0.019	2	109.4535	0.981	26	109.3768	0.481	93	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.4265	0.067	2	109.4535	0.981	26	109.3768	0.481	93	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.7175	0.106	8	109.4535	0.981	26	109.3768	0.481	93	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.7645	0.015	2	109.5919	0.045	8	109.3768	0.481	93	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.6700	0.074	4	109.5919	0.045	8	109.3768	0.481	93	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HH)(H)2{4|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2630	0.017	2	109.5919	0.045	8	109.3768	0.481	93	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[3x6])(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[3x6])(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3800	0.017	2	109.3800	0.000	2	109.3768	0.481	93	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.4655	0.011	2	109.4655	0.000	2	109.3768	0.481	93	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.4298	0.331	10	109.4298	0.109	10	109.3768	0.481	93	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]2)(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]O[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.0362	0.082	4	109.1212	0.041	5	109.3768	0.481	93	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]2)(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]O[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.4610	0.000	1	109.1212	0.041	5	109.3768	0.481	93	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6]HH)(O[6]S[6])(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]O[6]HH)(H)2{1|C<4>,1|S<3>,2|C<3>}	C[6](C[6]C[6,6]HH)(O[6]S[6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.8260	1.157	2	109.8260	1.338	2	109.3768	0.481	93	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]O[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3452	0.033	4	109.3452	0.001	4	109.3768	0.481	93	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.2790	0.035	2	108.3593	1.129	4	109.3768	0.481	93	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]O[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	107.4395	0.059	2	108.3593	1.129	4	109.3768	0.481	93	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]O[6]HH)(H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.5473	0.010	4	109.5473	0.000	4	109.3768	0.481	93	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]H)	110.0140	0.718	2	110.0140	0.516	2	109.3768	0.481	93	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]S[6]HH)(H)2	C[6](C[6]C[6,6]HH)(S[6]C[6])(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]S[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(S[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0080	0.000	1	109.0080	0.000	1	108.9828	0.026	12	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[5a,6]N[6])(C[6]S[6]HH)(H)2	C[6](C[6]C[6,6]HH)(S[6]C[6,6a])(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]N[5a,6]N[6])(C[6]S[6]HH)(H)2{1|H<1>,1|N<2>,4|C<3>}	C[6](C[6]C[6,6]HH)(S[6]C[6,6a])(H)2{2|C<3>,2|N<3>}	H(C[6]C[6,6]C[6]H)	109.1195	0.013	2	109.1195	0.000	2	108.9828	0.026	12	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]N[6]2)(C[6]S[6]HH)(H)2	C[6](C[6]C[6,6]HH)(S[6]C[6])(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]N[6]2)(C[6]S[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(S[6]C[6])(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6,6]C[6]H)	108.8648	0.152	4	108.8648	0.023	4	108.9828	0.026	12	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]S[6]HH)(H)2	C[6](C[6]C[6,6]HH)(S[6]C[6])(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]S[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]C[6,6]HH)(S[6]C[6])(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0176	0.174	5	109.0176	0.030	5	108.9828	0.026	12	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]O[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(O[6]O[6])(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6]2C)(C[6]O[6]HH)(Br)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]BrH)(O[6]O[6])(H)2{3|C<4>}	H(C[6]C[6]2Br)	108.2500	0.000	1	108.2500	0.000	1	108.8154	0.104	12	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]O[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(O[6]C[6])(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6a]N[6]H)(C[6]O[6]HH)(Br)(H){1|S<4>,3|C<3>}	C[6](C[6]C[6]BrH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2Br)	109.0687	0.265	4	109.0687	0.070	4	108.8154	0.104	12	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]O[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(O[6]C[6])(H)2	H(C[6]C[6]2Br)	C[6](C[6]N[6]CH)(C[6]O[6]HH)(Br)(H){1|C<3>,1|S<4>}	C[6](C[6]C[6]BrH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2Br)	108.7675	0.252	6	108.7514	0.055	7	108.8154	0.104	12	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]O[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(O[6]C[6])(H)2	H(C[6]C[6]2Br)	C[6](C[6]N[6]CH)(C[6]O[6]HH)(Br)(H){1|C<3>,1|S<4>}	C[6](C[6]C[6]BrH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2Br)	108.6550	0.000	1	108.7514	0.055	7	108.8154	0.104	12	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(C[6]C[6])(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.9115	0.022	2	109.5140	0.146	6	109.7125	0.150	10	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|P<4>}	C[6](C[6]C[6]HH)(C[6]C[6])(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3152	0.292	4	109.5140	0.146	6	109.7125	0.150	10	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6])(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	110.0102	0.091	4	110.0102	0.008	4	109.7125	0.150	10	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[5,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{3|C<3>}	C[6](C[6]C[6]HH)(N[6]C[5,6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2685	0.029	2	109.2685	0.001	2	109.3817	0.336	119	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.4515	0.050	2	109.4515	0.003	2	109.3817	0.336	119	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.3295	0.356	4	108.5269	0.991	8	109.3817	0.336	119	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6])(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	107.7242	0.684	4	108.5269	0.991	8	109.3817	0.336	119	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[5,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(N[6]C[5,6])(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	109.3290	0.048	2	109.3290	0.002	2	109.3817	0.336	119	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[5,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|P<4>}	C[6](C[6]C[6]HH)(N[6]C[5,6])(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.7030	0.086	3	109.5611	0.031	7	109.3817	0.336	119	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[5,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{2|C<3>}	C[6](C[6]C[6]HH)(N[6]C[5,6])(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.5755	0.063	2	109.5611	0.031	7	109.3817	0.336	119	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[5,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{2|C<3>}	C[6](C[6]C[6]HH)(N[6]C[5,6])(H)2{1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	109.3340	0.065	2	109.5611	0.031	7	109.3817	0.336	119	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6,6])(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.7463	0.354	24	109.7461	0.094	35	109.3817	0.336	119	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{2|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6,6])(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.7194	0.146	7	109.7461	0.094	35	109.3817	0.336	119	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{2|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6,6])(H)2{1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	109.7913	0.243	4	109.7461	0.094	35	109.3817	0.336	119	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{1|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.9005	0.012	2	108.9005	0.000	2	109.3817	0.336	119	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]P[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{1|P<4>}	C[6](C[6]C[6]HH)(N[6]P[6,6])(H)2{1|O<2>,2|H<1>,2|N<2>}	H(C[6]C[6]2H)	109.3163	0.188	19	109.3163	0.036	19	109.3817	0.336	119	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2{1|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6])(H)2{2|H<1>,2|S<2>}	H(C[6]C[6]2H)	108.7213	0.383	3	108.7213	0.147	3	109.3817	0.336	119	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.4644	0.858	14	109.3991	0.614	25	109.3817	0.336	119	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6])(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.9640	0.042	3	109.3991	0.614	25	109.3817	0.336	119	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6])(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.4390	0.069	2	109.3991	0.614	25	109.3817	0.336	119	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6])(H)2{1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.4875	0.022	2	109.3991	0.614	25	109.3817	0.336	119	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<3>,1|N<3>}	C[6](C[6]C[6]HH)(N[6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.6827	0.830	4	109.3991	0.614	25	109.3817	0.336	119	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]P[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<4>,1|P<4>}	C[6](C[6]C[6]HH)(N[6]P[6,6])(H)2{1|N<3>,2|H<1>,2|N<2>}	H(C[6]C[6]2H)	109.1514	0.156	14	109.1514	0.024	14	109.3817	0.336	119	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]CH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]CH)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.7190	0.018	2	109.7190	0.000	2	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.9440	0.000	1	109.9440	0.000	1	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[4,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[4,6])(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8770	0.017	2	109.8770	0.000	2	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HO)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[4,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HO)(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[4,6])(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1770	0.392	2	109.6561	4.745	10	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HO)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[4,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HO)(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[4,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7759	2.449	8	109.6561	4.745	10	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]O[6]HH)(H)2{3|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8265	0.070	2	109.6603	0.039	4	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]O[6]HH)(H)2{3|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4940	0.011	2	109.6603	0.039	4	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]N[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]O[6]HH)(H)2{1|N<3>,2|C<3>}	C[6](C[6]C[6]HH)(O[6]N[6])(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	109.1205	0.043	4	109.1205	0.002	4	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2259	1.470	16	109.3012	1.021	52	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9596	0.871	12	109.3012	1.021	52	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.6360	0.000	1	109.3012	1.021	52	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0070	0.021	2	109.3012	1.021	52	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.7165	0.013	2	109.3012	1.021	52	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8370	0.000	1	109.3012	1.021	52	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7430	0.061	4	109.3012	1.021	52	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.8912	0.719	6	109.3012	1.021	52	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1747	1.040	4	109.3012	1.021	52	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{2|C<3>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1485	0.100	4	109.3012	1.021	52	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.9910	0.000	2	109.9910	0.000	2	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7860	0.007	2	109.7860	0.000	2	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]O[6]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]O[6]H)(C[6]O[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.6420	0.044	4	109.6420	0.002	4	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6020	0.007	2	109.6404	0.004	5	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]O[6]HH)(H)2{2|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.6660	0.076	3	109.6404	0.004	5	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6440	0.024	2	109.7750	4.213	67	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7090	0.024	2	109.7750	4.213	67	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6280	0.016	2	109.7750	4.213	67	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6815	0.029	2	109.7750	4.213	67	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	106.0880	2.703	2	109.7750	4.213	67	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	119.8450	5.445	2	109.7750	4.213	67	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6245	0.037	2	109.7750	4.213	67	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|O<2>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.4115	0.011	2	109.7750	4.213	67	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6538	0.100	28	109.7750	4.213	67	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4845	0.195	4	109.7750	4.213	67	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.7568	0.574	5	109.7750	4.213	67	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6640	0.024	2	109.7750	4.213	67	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5470	0.038	4	109.7750	4.213	67	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7615	1.058	4	109.7750	4.213	67	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{2|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2525	0.006	2	109.7750	4.213	67	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{3|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7825	0.011	2	109.7750	4.213	67	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.6830	0.438	2	109.6830	0.192	2	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2F)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2F)(C[6]O[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|F<1>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	111.6153	4.857	4	111.6153	23.587	4	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3860	0.032	4	109.6999	0.066	21	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]O[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.8820	0.163	8	109.6999	0.066	21	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]O[6]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.8880	0.027	2	109.6999	0.066	21	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6174	0.246	7	109.6999	0.066	21	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1660	0.139	4	109.1660	0.019	4	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	110.0930	3.992	4	109.6009	2.362	22	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4673	0.110	4	109.6009	2.362	22	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.1880	0.256	2	109.6009	2.362	22	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6079	0.115	9	109.6009	2.362	22	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3773	0.155	3	109.6009	2.362	22	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	109.2830	0.065	4	109.2830	0.004	4	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.8488	1.304	6	108.9633	1.260	8	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.3065	0.029	2	108.9633	1.260	8	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.0145	0.021	2	110.0145	0.000	2	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FeC)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]FeC)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|Fe<7>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.2385	0.005	2	109.2385	0.000	2	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FeC)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]FeC)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|Fe<7>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.7695	0.037	2	109.7695	0.001	2	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.4488	0.280	4	109.6831	0.230	14	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8863	0.663	6	109.6831	0.230	14	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.6970	0.000	1	109.6831	0.230	14	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6790	0.025	2	109.6831	0.230	14	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{2|Cl<1>,1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.3960	0.000	1	109.6831	0.230	14	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6825	0.011	2	109.6575	0.021	15	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4780	0.000	1	109.6575	0.021	15	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7152	0.137	8	109.6575	0.021	15	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.7065	0.011	2	109.6575	0.021	15	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4425	0.016	2	109.6575	0.021	15	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<2>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3230	0.033	2	109.6294	0.179	208	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.6885	0.094	2	109.6294	0.179	208	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5305	0.008	2	109.6294	0.179	208	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.2980	0.083	2	109.6294	0.179	208	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6540	0.255	4	109.6294	0.179	208	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6598	0.031	4	109.6294	0.179	208	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4505	0.016	2	109.6294	0.179	208	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6540	0.025	2	109.6294	0.179	208	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5300	0.000	1	109.6294	0.179	208	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|N<2>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.8536	0.237	5	109.6294	0.179	208	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.6430	0.010	2	109.6294	0.179	208	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4460	0.106	4	109.6294	0.179	208	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|Ru<6>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8565	0.049	2	109.6294	0.179	208	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5840	0.033	2	109.6294	0.179	208	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6470	0.031	2	109.6294	0.179	208	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.0180	0.000	1	109.6294	0.179	208	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5159	0.452	20	109.6294	0.179	208	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5185	0.634	6	109.6294	0.179	208	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|P<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8475	0.050	2	109.6294	0.179	208	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|S<2>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6450	0.000	1	109.6294	0.179	208	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|S<2>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6615	0.012	2	109.6294	0.179	208	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|Se<2>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3585	0.111	2	109.6294	0.179	208	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5015	0.037	2	109.6294	0.179	208	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|O<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6130	0.041	3	109.6294	0.179	208	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.8678	0.361	8	109.6294	0.179	208	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5703	0.076	4	109.6294	0.179	208	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	109.7575	0.042	2	109.6294	0.179	208	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5549	0.091	15	109.6294	0.179	208	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.6936	0.652	22	109.6294	0.179	208	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	109.7114	0.240	7	109.6294	0.179	208	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.9038	0.761	16	109.6294	0.179	208	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7873	0.121	8	109.6294	0.179	208	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8718	0.043	4	109.6294	0.179	208	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4048	0.486	21	109.6294	0.179	208	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|Cl<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5790	0.023	2	109.6294	0.179	208	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|Cl<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7915	0.008	2	109.6294	0.179	208	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1377	0.362	4	109.6294	0.179	208	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4530	0.010	2	109.6294	0.179	208	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|N<3>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6620	0.024	2	109.6294	0.179	208	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|Se<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6195	0.080	4	109.6294	0.179	208	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{2|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8965	0.005	2	109.6294	0.179	208	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{2|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.7650	0.040	2	109.6294	0.179	208	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{2|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.6940	0.007	2	109.6294	0.179	208	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{2|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6525	0.062	2	109.6294	0.179	208	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3242	0.330	12	109.5014	0.134	20	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.7673	0.242	8	109.5014	0.134	20	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	110.9322	1.810	6	110.6587	2.596	8	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.8385	0.005	2	110.6587	2.596	8	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HS)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HS)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[6]2H)	109.9338	0.102	4	109.9338	0.010	4	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]O[6]HH)(H)2{2|H<1>,4|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	108.9290	0.000	1	108.9290	0.000	1	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.9575	0.019	4	108.9575	0.000	4	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5157	0.212	4	109.4598	0.041	21	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1887	0.111	4	109.4598	0.041	21	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5719	0.163	8	109.4598	0.041	21	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4524	0.124	5	109.4598	0.041	21	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.2512	0.238	4	109.2512	0.057	4	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]C)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]C)(C[6]O[6]HH)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.9862	0.070	4	109.9566	0.003	8	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]C)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]C)(C[6]O[6]HH)(H)2{3|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|N<2>,2|C<4>}	H(C[6]C[6]2H)	109.9270	0.020	4	109.9566	0.003	8	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]O[6]HH)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.9205	1.012	2	109.9205	1.024	2	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]S[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]O[6]HH)(H)2{1|H<1>,1|S<4>,2|C<3>}	C[6](C[6]C[6]HH)(O[6]S[6])(H)2{1|C<3>,1|H<1>,1|N<3>,2|O<1>}	H(C[6]C[6]2H)	109.2043	0.082	3	109.2043	0.007	3	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]C)(C[6]O[6]HH)(H)2{3|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.7810	0.007	2	109.7810	0.000	2	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	110.6522	1.815	4	110.3251	1.819	7	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|C<3>,1|C<6>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	110.0230	0.000	1	110.3251	1.819	7	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8220	0.054	2	110.3251	1.819	7	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]P[5,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|P<4>}	C[6](C[6]C[6]HH)(O[6]P[5,6])(H)2{1|O<1>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.4415	0.009	2	109.4415	0.000	2	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]B[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]O[6]HH)(H)2{1|B<4>,1|C<3>}	C[6](C[6]C[6]HH)(O[6]B[6,6])(H)2{1|N<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.4085	0.045	2	109.4779	0.037	9	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]B[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]O[6]HH)(H)2{1|B<4>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]B[6,6])(H)2{1|C<3>,1|N<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4977	0.216	7	109.4779	0.037	9	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.9840	0.014	2	109.9840	0.000	2	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.9350	0.023	2	109.8240	0.010	6	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]O[6]HH)(H)2{1|C<3>,1|S<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.7685	0.063	4	109.8240	0.010	6	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.2825	0.159	2	108.9308	0.377	6	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{1|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	108.8695	0.077	2	108.9308	0.377	6	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.6405	0.019	2	108.9308	0.377	6	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]Ga[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{1|Ga<4>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]Ga[6])(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7870	0.095	4	108.7870	0.009	4	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|P<4>}	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2{1|N<3>,2|H<1>,2|N<2>}	H(C[6]C[6]2H)	109.4785	0.036	2	109.2594	0.124	71	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{1|H<1>,1|P<4>}	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2{1|N<3>,2|H<1>,2|N<2>}	H(C[6]C[6]2H)	109.2410	0.427	45	109.2594	0.124	71	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{1|P<4>}	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2{2|H<1>,3|N<2>}	H(C[6]C[6]2H)	109.3048	0.167	18	109.2594	0.124	71	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{2|P<4>}	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2{1|N<3>,2|H<1>,2|N<2>}	H(C[6]C[6]2H)	109.1885	0.070	6	109.2594	0.124	71	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]P[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|P<4>}	C[6](C[6]C[6]HH)(O[6]P[6])(H)2{1|N<3>,2|H<1>,2|N<2>}	H(C[6]C[6]2H)	109.0455	0.060	2	109.3120	0.044	6	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]P[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{1|H<1>,1|P<4>}	C[6](C[6]C[6]HH)(O[6]P[6])(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.4710	0.016	2	109.3120	0.044	6	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]P[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{1|H<1>,1|P<4>}	C[6](C[6]C[6]HH)(O[6]P[6])(H)2{1|O<1>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.4195	0.016	2	109.3120	0.044	6	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2{1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.4665	0.251	2	109.4665	0.063	2	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2{1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.5135	0.016	2	109.8007	0.030	33	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2{1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8193	0.160	31	109.8007	0.030	33	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]S[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2{1|S<3>}	C[6](C[6]C[6]HH)(O[6]S[6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.3145	0.042	2	109.3145	0.002	2	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)(C[6]S[6]HH)(H)2{1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	108.6755	2.559	2	108.6755	6.549	2	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)2(H)2	C[6](C[6]C[6]HH)(O[6]B[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)2(H)2{1|B<4>}	C[6](C[6]C[6]HH)(O[6]B[6,6])(H)2{1|C<4>,1|N<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	107.9955	3.173	4	107.9955	10.066	4	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)2(H)2	C[6](C[6]C[6]HH)(O[6]B[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)2(H)2{1|B<3>}	C[6](C[6]C[6]HH)(O[6]B[6])(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4658	0.031	5	109.4829	0.001	9	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)2(H)2	C[6](C[6]C[6]HH)(O[6]B[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)2(H)2{1|B<3>}	C[6](C[6]C[6]HH)(O[6]B[6])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.5042	0.029	4	109.4829	0.001	9	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)2(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)2(H)2{1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.9835	0.029	4	109.9835	0.001	4	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)2(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)2(H)2{1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	107.4107	16.279	16	108.3233	134.031	31	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)2(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)2(H)2{1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2269	1.291	7	108.3233	134.031	31	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)2(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)2(H)2{1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|O<2>,2|H<1>,2|S<2>}	H(C[6]C[6]2H)	109.6265	0.472	4	108.3233	134.031	31	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)2(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)2(H)2{1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{2|H<1>,3|O<2>}	H(C[6]C[6]2H)	109.0897	1.526	4	108.3233	134.031	31	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)2(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)2(H)2{1|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	110.2105	0.006	2	109.8227	0.480	158	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)2(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)2(H)2{1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.8481	0.094	49	109.8227	0.480	158	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)2(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)2(H)2{1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.8768	0.111	75	109.8227	0.480	158	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)2(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)2(H)2{1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<2>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	109.3055	4.016	4	109.8227	0.480	158	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)2(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)2(H)2{1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5537	0.177	12	109.8227	0.480	158	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)2(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)2(H)2{1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.7739	1.232	16	109.8227	0.480	158	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)2(H)2	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)2(H)2{1|P<4>}	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2{1|O<2>,2|H<1>,2|N<2>}	H(C[6]C[6]2H)	109.4533	0.088	31	109.4433	0.009	33	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)2(H)2	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)2(H)2{2|P<4>}	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2{1|O<3>,2|H<1>,2|N<2>}	H(C[6]C[6]2H)	109.2875	0.008	2	109.4433	0.009	33	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)2(H)2	C[6](C[6]C[6]HH)(O[6]P[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)2(H)2{1|P<4>}	C[6](C[6]C[6]HH)(O[6]P[6])(H)2{1|Se<2>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.3367	5.317	4	109.0666	3.389	27	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)2(H)2	C[6](C[6]C[6]HH)(O[6]P[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)2(H)2{1|P<4>}	C[6](C[6]C[6]HH)(O[6]P[6])(H)2{1|Se<2>,1|O<2>,1|S<1>,2|H<1>}	H(C[6]C[6]2H)	109.0197	0.368	23	109.0666	3.389	27	109.5563	5.176	958	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]S[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4555	0.026	2	109.4555	0.001	2	108.8956	4.121	582	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]S[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|O<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6178	0.096	8	108.6178	0.009	8	108.8956	4.121	582	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]S[6]HH)(H)2{1|C<2>,1|C<3>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	110.2980	0.083	2	109.9807	0.306	3	108.8956	4.121	582	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]S[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3460	0.000	1	109.9807	0.306	3	108.8956	4.121	582	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]S[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.8645	0.057	4	108.3445	0.654	6	108.8956	4.121	582	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]S[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	107.3045	0.118	2	108.3445	0.654	6	108.8956	4.121	582	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[4,6]HH)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)(S[6]C[4,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[4,6]HH)(C[6]S[6]HH)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(S[6]C[4,6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.2475	0.023	2	109.2475	0.001	2	108.8956	4.121	582	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(H)2{2|C<3>}	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	108.9900	0.013	2	108.9900	0.000	2	108.8956	4.121	582	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]S[6]HH)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3232	0.256	6	109.3140	0.047	8	108.8956	4.121	582	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]S[6]HH)(H)2{2|C<3>}	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.2865	0.006	2	109.3140	0.047	8	108.8956	4.121	582	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]CO)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]CO)(C[6]S[6]HH)(H)2{1|C<3>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>}	H(C[6]C[6]2H)	109.1155	0.015	2	109.1155	0.000	2	108.8956	4.121	582	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|N<3>,1|S<1>,2|H<1>}	H(C[6]C[6]2H)	109.4578	0.043	5	109.1540	0.272	18	108.8956	4.121	582	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.8145	0.036	2	109.1540	0.272	18	108.8956	4.121	582	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.4574	0.603	5	109.1540	0.272	18	108.8956	4.121	582	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2{1|C<3>,1|N<3>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|N<3>,1|S<1>,2|H<1>}	H(C[6]C[6]2H)	109.2445	0.009	2	109.1540	0.272	18	108.8956	4.121	582	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2{1|C<3>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|N<2>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	108.5195	0.360	4	109.1540	0.272	18	108.8956	4.121	582	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)(C[6]S[6]HH)(H)2{1|C<4>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4805	0.100	2	109.4805	0.010	2	108.8956	4.121	582	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]CH)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]S[6]CH)(C[6]S[6]HH)(H)2{1|C<4>,1|O<1>}	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2{1|H<1>,1|S<3>,3|C<4>}	H(C[6]C[6]2H)	108.8595	0.202	6	108.8595	0.041	6	108.8956	4.121	582	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]CH)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]S[6]CH)(C[6]S[6]HH)(H)2{1|C<4>,1|O<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|H<1>,1|S<3>,3|C<4>}	H(C[6]C[6]2H)	108.5950	0.000	1	108.5950	0.000	1	108.8956	4.121	582	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)2(H)2	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)2(H)2{1|C<4>}	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	109.1622	0.088	5	109.0702	1.080	36	108.8956	4.121	582	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)2(H)2	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)2(H)2{1|C<4>}	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2{1|C<3>,1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	108.9320	0.031	3	109.0702	1.080	36	108.8956	4.121	582	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)2(H)2	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)2(H)2{1|C<4>}	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2{1|C<3>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	108.9552	0.052	10	109.0702	1.080	36	108.8956	4.121	582	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)2(H)2	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)2(H)2{1|C<4>}	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2{1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1315	1.484	18	109.0702	1.080	36	108.8956	4.121	582	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)2(H)2	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)2(H)2{1|C<4>,1|O<1>}	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2{1|S<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8245	0.013	2	108.9926	0.478	70	108.8956	4.121	582	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)2(H)2	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)2(H)2{1|C<4>}	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	108.7638	0.041	4	108.9926	0.478	70	108.8956	4.121	582	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)2(H)2	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)2(H)2{1|C<4>}	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2{1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9965	0.626	60	108.9926	0.478	70	108.8956	4.121	582	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)2(H)2	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)2(H)2{1|C<4>}	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2{1|S<2>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.2475	1.767	4	108.9926	0.478	70	108.8956	4.121	582	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)2(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)2(H)2{1|C<3>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	108.7358	4.307	108	108.8775	5.472	408	108.8956	4.121	582	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)2(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)2(H)2{1|C<3>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	108.9279	0.245	32	108.8775	5.472	408	108.8956	4.121	582	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)2(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)2(H)2{1|C<3>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|S<1>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	108.7811	0.368	7	108.8775	5.472	408	108.8956	4.121	582	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)2(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)2(H)2{1|C<4>,1|O<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<2>,1|S<3>,3|H<1>}	H(C[6]C[6]2H)	109.7672	0.679	8	108.8775	5.472	408	108.8956	4.121	582	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)2(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)2(H)2{1|C<4>,1|O<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|S<3>,3|H<1>}	H(C[6]C[6]2H)	109.5635	3.023	4	108.8775	5.472	408	108.8956	4.121	582	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)2(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)2(H)2{1|C<4>,1|O<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|S<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7680	0.089	4	108.8775	5.472	408	108.8956	4.121	582	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)2(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)2(H)2{1|C<4>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	108.9059	0.114	49	108.8775	5.472	408	108.8956	4.121	582	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)2(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)2(H)2{1|C<4>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	108.7955	1.313	65	108.8775	5.472	408	108.8956	4.121	582	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)2(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)2(H)2{1|C<4>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	108.8414	0.674	50	108.8775	5.472	408	108.8956	4.121	582	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)2(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)2(H)2{1|C<4>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0413	0.930	66	108.8775	5.472	408	108.8956	4.121	582	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)2(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)2(H)2{1|C<4>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|Si<4>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	108.8439	0.110	7	108.8775	5.472	408	108.8956	4.121	582	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)2(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)2(H)2{1|Pd<4>,1|C<3>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|S<3>,2|H<1>}	H(C[6]C[6]2H)	108.5397	0.185	4	108.8775	5.472	408	108.8956	4.121	582	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)2(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)2(H)2{1|Rh<8>,1|C<4>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|S<3>,4|H<1>}	H(C[6]C[6]2H)	109.2480	1.299	4	108.8775	5.472	408	108.8956	4.121	582	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)2(H)2	C[6](C[6]C[6]HH)(S[6]P[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)2(H)2{1|P<4>}	C[6](C[6]C[6]HH)(S[6]P[6])(H)2{1|Se<2>,1|O<1>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	107.7018	2.682	4	107.0798	7.007	8	108.8956	4.121	582	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)2(H)2	C[6](C[6]C[6]HH)(S[6]P[6])(H)2	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)2(H)2{1|P<4>}	C[6](C[6]C[6]HH)(S[6]P[6])(H)2{1|Se<2>,1|S<1>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	106.4578	2.850	4	107.0798	7.007	8	108.8956	4.121	582	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6])(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7993	0.091	4	109.7993	0.008	4	109.7993	0.008	4	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2{1|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|N<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.4400	0.014	2	109.5395	0.740	62	109.9162	1.319	772	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.5429	0.874	60	109.5395	0.740	62	109.9162	1.319	772	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6245	0.022	2	109.7893	0.535	225	109.9162	1.319	772	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7908	0.735	223	109.7893	0.535	225	109.9162	1.319	772	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]CN)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]CN)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7851	1.016	8	109.7851	1.033	8	109.9162	1.319	772	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]CO)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]CO)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6791	0.123	7	109.6459	0.014	11	109.9162	1.319	772	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]CO)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]CO)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5877	0.098	4	109.6459	0.014	11	109.9162	1.319	772	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]CW)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]CW)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|W<9>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4684	0.047	7	109.4684	0.002	7	109.9162	1.319	772	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	110.0448	1.340	459	110.0448	1.795	459	109.9162	1.319	772	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]S[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(S[6]C[6])(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3161	0.133	17	109.3161	0.018	17	109.3161	0.018	17	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(S[6]C[6]OO)(H)2	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]O[6]HH)(S[6]C[6]OO)(H)2{2|C<3>}	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|O<1>}	H(C[6]C[6]S[6]H)	110.1365	0.005	2	110.1365	0.000	2	109.7744	0.581	10	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(S[6]C[6]WW)(H)2	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]O[6]HH)(S[6]C[6]WW)(H)2{1|C<4>,2|H<1>}	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{1|C<4>,2|H<1>,2|W<6>}	H(C[6]C[6]S[6]H)	109.6839	0.837	8	109.6839	0.700	8	109.7744	0.581	10	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6]WW)(H)2	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6]WW)(H)2{1|C<4>,2|H<1>}	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|C<4>,2|H<1>,2|W<6>}	H(C[6]C[6]S[6]H)	108.7413	0.791	19	108.7413	0.626	19	108.7413	0.626	19	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[4,4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[4,4,6]C[3x4]2C[6])(C[6]O[6]HH)(H)2	C[6](C[6]N[4,4,6]HH)(O[6]C[6])(H)2	H(C[6]N[4,4,6]C[6]H)	C[6](N[4,4,6]C[3x4]2C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|C<6>,1|H<2>,3|H<1>}	C[6](C[6]N[4,4,6]HH)(O[6]C[6])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]N[4,4,6]C[6]H)	109.0790	0.072	4	109.0790	0.005	4	109.0790	0.005	4	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[4,6]C[4,6,6]B[4]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]N[4,6]HH)(O[6]C[6])(H)2	H(C[6]N[4,6]C[6]H)	C[6](N[4,6]C[4,6,6]B[4]C[6])(C[6]O[6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]N[4,6]HH)(O[6]C[6])(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]N[4,6]C[6]H)	109.0050	0.039	4	109.0050	0.002	4	109.0050	0.002	4	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2	C[6](C[6]N[5,6]HH)(O[6]C[6])(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2{2|H<1>,4|C<4>}	C[6](C[6]N[5,6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	109.4030	0.044	2	109.4030	0.002	2	109.4402	0.007	6	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5]C[6]N[5])(C[6]O[6]HH)(H)2	C[6](C[6]N[5,6]HH)(O[6]C[6])(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5]C[6]N[5])(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]N[5,6]HH)(O[6]C[6])(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.4587	0.096	4	109.4587	0.009	4	109.4402	0.007	6	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]C)(C[6]O[6]HH)(H)2	C[6](C[6]N[6,6]HH)(O[6]C[6,6])(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]C)(C[6]O[6]HH)(H)2{2|C<4>,4|H<1>}	C[6](C[6]N[6,6]HH)(O[6]C[6,6])(H)2{1|N<3>,1|O<2>,3|C<4>}	H(C[6]N[6,6]C[6]H)	109.3715	0.068	12	109.3715	0.005	12	109.2618	0.038	24	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6]3)(C[6]O[6]HH)(H)2	C[6](C[6]N[6,6]HH)(O[6]C[6])(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6]3)(C[6]O[6]HH)(H)2{3|C<4>,6|H<1>}	C[6](C[6]N[6,6]HH)(O[6]C[6])(H)2{2|H<1>,3|C<4>}	H(C[6]N[6,6]C[6]H)	109.1522	0.222	12	109.1522	0.049	12	109.2618	0.038	24	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[3,6]C[6]H)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[3,6]C[6]H)(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	111.8927	3.061	4	110.9070	6.198	7	109.2973	0.429	366	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[3,6]C[6]H)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[3,6]C[6]H)(C[6]O[6]HH)(H)2{2|H<1>,4|C<4>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5927	0.049	3	110.9070	6.198	7	109.2973	0.429	366	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[3]C[6]H)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[3]C[6]H)(C[6]O[6]HH)(H)2{2|H<1>,4|C<4>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7234	0.156	7	109.7234	0.024	7	109.2973	0.429	366	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[5]C[6]H)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6]H)(C[6]O[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5647	0.133	3	109.6011	0.032	7	109.2973	0.429	366	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[5]C[6]H)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6]H)(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6285	0.224	4	109.6011	0.032	7	109.2973	0.429	366	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{3|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5280	0.089	4	109.5280	0.008	4	109.2973	0.429	366	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CdC)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CdC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Cd<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5007	0.026	4	109.5371	0.013	20	109.2973	0.429	366	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CdC)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CdC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Cd<5>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5089	0.129	8	109.5371	0.013	20	109.2973	0.429	366	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CdC)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CdC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Cd<6>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5835	0.118	8	109.5371	0.013	20	109.2973	0.429	366	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CoC)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CoC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Co<4>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5520	0.040	3	109.2980	0.073	10	109.2973	0.429	366	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CoC)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CoC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Co<6>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.1891	0.250	7	109.2980	0.073	10	109.2973	0.429	366	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CoH)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CoH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Co<6>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6472	0.098	4	109.6472	0.010	4	109.2973	0.429	366	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CuC)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CuC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Cu<4>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5146	0.225	7	109.1697	0.126	27	109.2973	0.429	366	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CuC)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CuC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Cu<5>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.0489	0.312	20	109.1697	0.126	27	109.2973	0.429	366	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CuH)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CuH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Cu<4>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2835	0.050	4	109.3038	0.032	42	109.2973	0.429	366	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CuH)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CuH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Cu<5>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3059	0.187	38	109.3038	0.032	42	109.2973	0.429	366	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]EuC)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]EuC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Eu<13>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7365	0.124	4	109.7365	0.015	4	109.2973	0.429	366	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]FeC)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]FeC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Fe<4>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4421	0.089	7	109.4327	0.305	16	109.2973	0.429	366	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]FeC)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]FeC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Fe<5>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4254	0.752	9	109.4327	0.305	16	109.2973	0.429	366	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]IrC)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]IrC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Ir<6>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.0087	0.291	15	109.0087	0.085	15	109.2973	0.429	366	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]IrH)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]IrH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Ir<8>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6868	0.077	4	109.6868	0.006	4	109.2973	0.429	366	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]MnC)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]MnC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Mn<5>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3188	0.127	4	109.4285	0.013	17	109.2973	0.429	366	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]MnC)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]MnC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Mn<6>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4477	0.086	9	109.4285	0.013	17	109.2973	0.429	366	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]MnC)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]MnC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Mn<7>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4950	0.099	4	109.4285	0.013	17	109.2973	0.429	366	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]NiC)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]NiC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Ni<4>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.9969	0.169	29	109.1429	0.071	59	109.2973	0.429	366	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]NiC)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]NiC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Ni<5>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.1820	0.110	3	109.1429	0.071	59	109.2973	0.429	366	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]NiC)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]NiC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Ni<6>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2955	0.280	27	109.1429	0.071	59	109.2973	0.429	366	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]PdC)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]PdC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Pd<4>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.0187	0.170	19	109.0187	0.029	19	109.2973	0.429	366	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]PdH)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]PdH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Pd<4>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2500	0.024	3	109.2500	0.001	3	109.2973	0.429	366	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]PtC)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]PtC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Pt<4>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.8203	0.140	4	108.8203	0.019	4	109.2973	0.429	366	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]PtH)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]PtH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Pt<6>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.8443	0.096	4	108.8443	0.009	4	109.2973	0.429	366	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]RuC)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]RuC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Ru<6>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.8887	0.183	34	108.8887	0.033	34	109.2973	0.429	366	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]SiB)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]SiB)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Si<4>,1|B<4>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	111.4780	1.162	4	111.4780	1.350	4	109.2973	0.429	366	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]TeC)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]TeC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Te<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3829	0.229	7	109.3829	0.052	7	109.2973	0.429	366	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]ZnC)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]ZnC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Zn<4>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6054	0.162	8	109.3445	0.050	32	109.2973	0.429	366	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]ZnC)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]ZnC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Zn<5>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2575	0.168	24	109.3445	0.050	32	109.2973	0.429	366	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]ZnH)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]ZnH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Zn<4>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.1109	2.406	8	109.1469	2.703	16	109.2973	0.429	366	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]ZnH)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]ZnH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Zn<5>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.1600	0.041	3	109.1469	2.703	16	109.2973	0.429	366	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]ZnH)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]ZnH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Zn<6>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.1966	0.034	5	109.1469	2.703	16	109.2973	0.429	366	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CoH)(C[6]S[6]HH)(H)2	C[6](C[6]N[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CoH)(C[6]S[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(S[6]C[6])(H)2{1|Co<6>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.8425	0.012	2	108.8425	0.000	2	108.6003	0.036	6	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]ZnC)(C[6]S[6]HH)(H)2	C[6](C[6]N[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]ZnC)(C[6]S[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(S[6]C[6])(H)2{1|Zn<5>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.4792	0.036	4	108.4792	0.001	4	108.6003	0.036	6	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](S[6]C[3,6]OO)(C[6]O[6]HH)(H)2	C[6](C[6]S[6]HH)(O[6]C[3,6])(H)2	H(C[6]C[6]S[6]H)	C[6](S[6]C[3,6]OO)(C[6]O[6]HH)(H)2{3|C<4>}	C[6](C[6]S[6]HH)(O[6]C[3,6])(H)2{2|O<1>,3|C<4>}	H(C[6]C[6]S[6]H)	109.6700	0.000	1	109.6700	0.000	1	109.4017	0.140	16	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](S[6]C[5,6]OO)(C[6]O[6]HH)(H)2	C[6](C[6]S[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]S[6]H)	C[6](S[6]C[5,6]OO)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]S[6]HH)(O[6]C[5,6])(H)2{1|H<1>,2|C<4>,2|O<1>}	H(C[6]C[6]S[6]H)	109.6540	0.021	2	109.6540	0.000	2	109.4017	0.140	16	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](S[6]C[6,6]OO)(C[6]O[6]HH)(H)2	C[6](C[6]S[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]S[6]H)	C[6](S[6]C[6,6]OO)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]S[6]HH)(O[6]C[6,6])(H)2{1|H<1>,2|C<4>,2|O<1>}	H(C[6]C[6]S[6]H)	109.5705	0.067	2	109.5705	0.005	2	109.4017	0.140	16	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](S[6]C[6]Os2)(C[6]O[6]HH)(H)2	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]S[6]H)	C[6](S[6]C[6]Os2)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{1|Os<4>,1|Os<5>,1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	109.4983	0.383	3	109.3007	0.173	11	109.4017	0.140	16	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:1:1:	4:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](S[6]C[6]Os2)(C[6]O[6]HH)(H)2	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]S[6]H)	C[6](S[6]C[6]Os2)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{2|Os<3>,1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	109.2266	0.426	8	109.3007	0.173	11	109.4017	0.140	16	109.4577	2.861	3184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]O[6]HO)(H)2	C[6](C[6]C[3,6]HH)(O[6]C[6])(OC)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]O[6]HO)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[3,6]HH)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	109.1287	0.133	4	109.1287	0.018	4	109.1287	0.018	4	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]O[6]HO)(H)2	C[6](C[6]C[3x6]HH)(O[6]C[6,6a])(OC)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]O[6]HO)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[3x6]HH)(O[6]C[6,6a])(OC)(H){1|C<4>,3|C<3>}	H(C[6]C[3x6]C[6]H)	107.9525	0.750	2	108.5101	0.459	7	108.5101	0.459	7	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]O[6]HO)(H)2	C[6](C[6]C[3x6]HH)(O[6]C[6,6a])(OC)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]O[6]HO)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[3x6]HH)(O[6]C[6,6a])(OC)(H){1|C<4>,3|C<3>}	H(C[6]C[3x6]C[6]H)	108.7332	0.575	5	108.5101	0.459	7	108.5101	0.459	7	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]O[6]HO)(H)2	C[6](C[6]C[5,6,6]HH)(O[6]C[6])(OC)(H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]O[6]HO)(H)2{1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(O[6]C[6])(OC)(H){1|C<3>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.4075	0.028	2	109.4075	0.001	2	109.4075	0.001	2	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]O[6]CH)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(CC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]O[6]CH)(H)2{1|O<2>,3|C<4>}	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(CC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	108.9560	0.000	1	108.9560	0.000	1	108.9560	0.000	1	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]HO)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(OC)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0185	0.013	2	109.0185	0.000	2	109.0185	0.000	2	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]HS)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(SC[6a])(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]HS)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(SC[6a])(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0410	0.000	1	109.0410	0.000	1	109.0410	0.000	1	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]O[6]HO)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]O[6]HO)(H)2{1|C<4>,4|C<3>}	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(OC)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	110.0450	0.024	2	110.0450	0.001	2	109.1904	0.227	12	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]C)(C[6]O[6]HO)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]C)(C[6]O[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(OH)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.2565	0.120	4	109.2565	0.014	4	109.1904	0.227	12	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]O[6]HO)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]O[6]HO)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.5335	0.069	2	108.5335	0.005	2	109.1904	0.227	12	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]S[6]2)(C[6]O[6]HO)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]S[6]2)(C[6]O[6]HO)(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(OH)(H){1|H<1>,2|C<4>,2|S<2>}	H(C[6]C[6,6]C[6]H)	109.0200	0.024	2	109.0200	0.001	2	109.1904	0.227	12	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]2)(C[6]O[6]HO)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]O[6]HO)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(OC)(H){4|C<3>}	H(C[6]C[6,6]C[6]H)	109.0310	0.055	2	109.0310	0.003	2	109.1904	0.227	12	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:O[6]-2:C-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(Br)(H)	C[6](C[6]C[6]BrH)(O[6]C[6])(CC)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(Br)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(O[6]C[6])(CC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2Br)	108.5620	0.000	1	108.5620	0.000	1	108.5620	0.000	1	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]FH)(C[6]O[6]HO)(F)(H)	C[6](C[6]C[6]FH)(O[6]C[6,6])(OH)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6,6]FH)(C[6]O[6]HO)(F)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]FH)(O[6]C[6,6])(OH)(H){1|F<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2F)	109.5780	0.935	2	109.5780	0.874	2	109.8584	0.263	8	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]O[6]HO)(F)(H)	C[6](C[6]C[6]FH)(O[6]C[6])(OH)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)(C[6]O[6]HO)(F)(H){1|C<4>,1|F<1>,1|H<1>}	C[6](C[6]C[6]FH)(O[6]C[6])(OH)(H){1|F<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2F)	109.8342	0.440	4	109.8342	0.194	4	109.8584	0.263	8	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(F)(H)	C[6](C[6]C[6]FH)(O[6]C[6])(OC[6a])(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(F)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]FH)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2F)	110.1870	0.106	2	110.1870	0.011	2	109.8584	0.263	8	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CN)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.4970	0.515	2	107.4970	0.265	2	107.4970	0.265	2	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HN)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(NC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HN)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(NC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5995	0.012	2	109.5995	0.000	2	109.5995	0.000	2	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(O[6]C[3x6])(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]O[6]HO)(H)2{3|C<4>}	C[6](C[6]C[6]HH)(O[6]C[3x6])(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1163	0.057	4	109.1163	0.003	4	109.2622	1.068	136	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[4,6]C[6a]H)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(O[6]N[4,6])(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]C[6a]H)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]HH)(O[6]N[4,6])(OC)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.5300	0.008	2	109.5300	0.000	2	109.2622	1.068	136	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(OC)(H){1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.2095	0.006	2	109.2095	0.000	2	109.2622	1.068	136	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(O[6]N[5,6])(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]HH)(O[6]N[5,6])(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	107.8200	1.802	2	107.8200	3.246	2	109.2622	1.068	136	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HO)(H)2{1|C<4>,2|O<2>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3635	0.032	2	109.3635	0.001	2	109.2622	1.068	136	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(OC[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(OC[6])(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4527	0.206	11	109.4527	0.042	11	109.2622	1.068	136	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4950	0.000	1	109.4950	0.000	1	109.2622	1.068	136	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]O[6]HO)(H)2{1|C<3>,1|C<4>,1|F<1>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.6425	0.021	2	109.6425	0.000	2	109.2622	1.068	136	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]HO)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.3420	0.007	2	109.3420	0.000	2	109.2622	1.068	136	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6450	2.929	2	109.4172	1.220	12	109.2622	1.068	136	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5205	0.032	2	109.4172	1.220	12	109.2622	1.068	136	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5844	0.697	8	109.4172	1.220	12	109.2622	1.068	136	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.9363	1.215	4	107.9363	1.477	4	109.2622	1.068	136	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]O[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	108.5300	4.499	4	108.5300	20.243	4	109.2622	1.068	136	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]O[6]HO)(H)2{2|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.3650	0.021	2	109.3650	0.000	2	109.2622	1.068	136	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	108.7550	0.042	2	108.7550	0.002	2	109.2622	1.068	136	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.5215	0.093	6	108.5215	0.009	6	109.2622	1.068	136	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3295	0.047	2	109.1904	0.551	16	109.2622	1.068	136	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9774	0.945	8	109.1904	0.551	16	109.2622	1.068	136	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4280	0.503	6	109.1904	0.551	16	109.2622	1.068	136	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(OC[5])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(OC[5])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	111.7805	1.324	2	111.7805	1.754	2	109.2622	1.068	136	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6045	0.023	2	109.6045	0.001	2	109.2622	1.068	136	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6a])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6a])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4073	0.257	10	109.4073	0.066	10	109.2622	1.068	136	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(ON[5])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(ON[5])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	107.6335	0.419	2	107.6335	0.176	2	109.2622	1.068	136	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3724	0.462	9	109.5867	0.257	13	109.2622	1.068	136	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.0687	0.103	4	109.5867	0.257	13	109.2622	1.068	136	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4880	0.993	4	109.3070	0.462	8	109.2622	1.068	136	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H){1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1260	0.067	4	109.3070	0.462	8	109.2622	1.068	136	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.6750	0.021	2	109.6862	0.030	6	109.2622	1.068	136	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5000	0.017	2	109.6862	0.030	6	109.2622	1.068	136	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2{1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8835	0.022	2	109.6862	0.030	6	109.2622	1.068	136	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6465	0.210	6	108.6465	0.044	6	109.2622	1.068	136	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(O[6]C[6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1865	0.011	2	109.1865	0.000	2	109.2622	1.068	136	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5390	0.052	3	109.5390	0.003	3	109.2622	1.068	136	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(O[6]N[6])(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(H)2{1|C<4>,1|N<2>,2|C<3>}	C[6](C[6]C[6]HH)(O[6]N[6])(OC)(H){1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.7710	0.030	2	109.7710	0.001	2	109.2622	1.068	136	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(O[6]N[6])(OC[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(H)2{1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]HH)(O[6]N[6])(OC[6])(H){1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.7175	0.012	2	109.7175	0.000	2	109.2622	1.068	136	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(OC[5])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]O[6]HO)(H)2{3|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(OC[5])(H){1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6]2H)	109.8640	0.027	4	109.8640	0.001	4	109.2622	1.068	136	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HS)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(SC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HS)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(SC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3807	0.272	7	109.3807	0.074	7	109.3807	0.074	7	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:Se-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]SeH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(SeC[6a])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]SeH)(H)2{2|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(SeC[6a])(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4680	0.011	2	109.4680	0.000	2	109.4680	0.000	2	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(I)	C[6](C[6]C[6]HI)(O[6]C[6])(OC)(H)	H(C[6]C[6]2I)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(I){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HI)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2I)	108.9880	0.000	1	108.9880	0.000	1	108.9880	0.000	1	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.9900	0.601	11	108.9098	0.406	12	108.9900	0.324	16	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.0280	0.000	1	108.9098	0.406	12	108.9900	0.324	16	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.2420	0.203	3	109.2420	0.041	3	108.9900	0.324	16	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O)	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.1960	0.000	1	109.1960	0.000	1	108.9900	0.324	16	109.2153	0.847	204	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:2:3:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:S-2:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CS)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(SC[6a])(COO)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CS)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(SC[6a])(COO){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.6300	0.025	2	110.6300	0.001	2	110.6300	0.001	2	110.6300	0.001	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:3:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]O[6]CH)(H)2	C[6](C[6]C[3,6]HH)(O[6]C[6])(CCO)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]O[6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(O[6]C[6])(CCO)(H){1|O<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	110.0005	0.015	2	110.0005	0.000	2	110.0005	0.000	2	109.2150	0.963	100	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6]O[6]CH)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6,6a])(CNO)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6]O[6]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(O[6]C[6,6a])(CNO)(H){1|N<3>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.8205	0.008	2	109.8205	0.000	2	109.8205	0.000	2	109.2150	0.963	100	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]O[6]CH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]O[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCH)(H){1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.5245	0.008	2	109.5245	0.000	2	109.6812	0.048	6	109.2150	0.963	100	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]O[6]CH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(CCC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]O[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(CCC)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.9625	0.049	2	109.9625	0.002	2	109.6812	0.048	6	109.2150	0.963	100	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]O[6]CH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]O[6]CH)(H)2{2|C<3>,3|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.5565	0.023	2	109.5565	0.001	2	109.6812	0.048	6	109.2150	0.963	100	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:S[6]-2:C-3:Cl-1:	C[6]-4:	C[6](C[6]S[6]ClC)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(S[6]C[6])(CC[6a]O)(Cl)	H(C[6]C[6]2Br)	C[6](C[6]S[6]ClC)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]BrH)(S[6]C[6])(CC[6a]O)(Cl){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2Br)	107.7050	0.000	1	107.7050	0.000	1	107.7050	0.000	1	109.2150	0.963	100	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HN)(Cl)(H)	C[6](C[6]C[6]ClH)(O[6]C[6])(NCH)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6]HH)(C[6]O[6]HN)(Cl)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]ClH)(O[6]C[6])(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2Cl)	109.0090	0.000	1	109.0090	0.000	1	108.9964	0.090	9	109.2150	0.963	100	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(Cl)(H)	C[6](C[6]C[6]ClH)(O[6]C[6])(NCH)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(Cl)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]ClH)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2Cl)	109.0935	0.296	4	109.0935	0.088	4	108.9964	0.090	9	109.2150	0.963	100	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(Cl)(H)	C[6](C[6]C[6]ClH)(O[6]C[6])(NHH)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(Cl)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]ClH)(O[6]C[6])(NHH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2Cl)	108.8963	0.357	4	108.8963	0.128	4	108.9964	0.090	9	109.2150	0.963	100	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6])(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]N[6]CH)(H)2{3|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6])(CCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.7915	0.025	2	109.7915	0.001	2	109.8645	0.023	4	109.2150	0.963	100	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6])(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]O[6]CH)(H)2{1|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6])(COO)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.9375	0.217	2	109.9375	0.047	2	109.8645	0.023	4	109.2150	0.963	100	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]N[6])(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]O[6]CH)(H)2{1|N<3>,2|C<3>}	C[6](C[6]C[6]HH)(O[6]N[6])(CCH)(H){1|C<4>,3|C<3>}	H(C[6]C[6]2H)	108.8805	0.030	2	108.8805	0.001	2	109.0991	1.321	65	109.2150	0.963	100	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]CH)(H)2{1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	105.9300	1.109	2	105.9300	1.229	2	109.0991	1.321	65	109.2150	0.963	100	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1425	0.011	2	109.1425	0.000	2	109.0991	1.321	65	109.2150	0.963	100	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]N[6])(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(O[6]N[6])(CCC)(H){1|C<4>,3|C<3>}	H(C[6]C[6]2H)	109.5450	0.017	2	109.5450	0.000	2	109.0991	1.321	65	109.2150	0.963	100	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7152	0.157	4	109.7152	0.025	4	109.0991	1.321	65	109.2150	0.963	100	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CNO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CNO)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6610	0.041	5	109.6610	0.002	5	109.0991	1.321	65	109.2150	0.963	100	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6690	0.171	4	109.6690	0.029	4	109.0991	1.321	65	109.2150	0.963	100	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.5065	0.011	4	109.4870	0.607	28	109.0991	1.321	65	109.2150	0.963	100	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|I<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.6960	0.049	2	109.4870	0.607	28	109.0991	1.321	65	109.2150	0.963	100	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4569	0.924	19	109.4870	0.607	28	109.0991	1.321	65	109.2150	0.963	100	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.5127	0.677	3	109.4870	0.607	28	109.0991	1.321	65	109.2150	0.963	100	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]SS)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SS)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){1|H<1>,2|C<4>,2|S<4>}	H(C[6]C[6]2H)	107.7705	0.026	2	107.7705	0.001	2	109.0991	1.321	65	109.2150	0.963	100	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]O[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.6065	0.050	2	109.6065	0.003	2	109.0991	1.321	65	109.2150	0.963	100	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]O[6]CH)2(H)2	C[6](C[6]C[6]HH)(O[6]P[6])(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)2(H)2{1|P<4>}	C[6](C[6]C[6]HH)(O[6]P[6])(CCH)(H){1|B<4>,1|C<3>,1|H<1>,2|O<2>}	H(C[6]C[6]2H)	107.9340	1.770	8	108.1845	2.130	12	109.0991	1.321	65	109.2150	0.963	100	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]O[6]CH)2(H)2	C[6](C[6]C[6]HH)(O[6]P[6])(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)2(H)2{1|P<4>}	C[6](C[6]C[6]HH)(O[6]P[6])(CCH)(H){1|C<3>,1|H<1>,1|O<1>,2|O<2>}	H(C[6]C[6]2H)	108.6855	0.033	4	108.1845	2.130	12	109.0991	1.321	65	109.2150	0.963	100	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(NC[6a]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(O[6]C[6])(NC[6a]H)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.0650	0.030	2	109.0650	0.001	2	109.4725	0.047	11	109.2150	0.963	100	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]O[6]HN)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(NC[6a]H)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]O[6]HN)(H)2{1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(NC[6a]H)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5630	0.091	9	109.5630	0.008	9	109.4725	0.047	11	109.2150	0.963	100	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:3:2:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-3:O-2:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]CO)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(COO)(OC)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]CO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(COO)(OC){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2475	0.006	2	109.2475	0.000	2	109.2475	0.000	2	109.0698	0.088	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:3:2:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:O[6]-2:C-3:O-2:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]CO)(Br)(H)	C[6](C[6]C[6]BrH)(O[6]C[5,6])(COS)(OC)	H(C[6]C[6]2Br)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]CO)(Br)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]BrH)(O[6]C[5,6])(COS)(OC){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2Br)	108.5380	0.232	2	108.5380	0.054	2	108.7112	0.080	4	109.0698	0.088	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:3:2:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:O[6]-2:C-3:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(Br)(H)	C[6](C[6]C[6]BrH)(O[6]C[6])(COS)(OC)	H(C[6]C[6]2Br)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(Br)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]BrH)(O[6]C[6])(COS)(OC){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2Br)	108.8845	0.258	2	108.8845	0.067	2	108.7112	0.080	4	109.0698	0.088	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-3:O-2:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]CO)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(COO)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]CO)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(COO)(OH){1|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.9130	0.008	2	108.9130	0.000	2	109.1528	0.057	13	109.0698	0.088	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-3:O-2:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(COO)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(COO)(OH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.3705	0.009	2	109.1160	0.045	8	109.1528	0.057	13	109.0698	0.088	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-3:O-2:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(COO)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(H)2{4|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(COO)(OH){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.2405	0.029	2	109.1160	0.045	8	109.1528	0.057	13	109.0698	0.088	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-3:O-2:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(COO)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(H)2{4|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(COO)(OH){1|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.9265	0.059	4	109.1160	0.045	8	109.1528	0.057	13	109.0698	0.088	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-3:O-2:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]O[6]CO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]O[6]CO)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(OC){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3330	0.081	2	109.3330	0.006	2	109.1528	0.057	13	109.0698	0.088	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-3:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(OH){1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.5670	0.000	1	109.5670	0.000	1	109.1528	0.057	13	109.0698	0.088	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:3:3:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-3:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)(H)2	C[6](C[6]C[5,6]HH)(O[6]N[6])(COO)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)(H)2{1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(O[6]N[6])(COO)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.3702	2.900	4	109.3702	8.413	4	109.3702	8.413	4	109.4767	5.075	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:C-3:C-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]N[6])(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CC)(H)2{1|C<4>,1|N<2>,2|C<3>}	C[6](C[6]C[6]HH)(N[6]N[6])(COO)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	109.6895	0.011	2	109.6895	0.000	2	109.6895	0.000	2	109.4767	5.075	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:3:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:N[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]O[6]C)(C[6]C[6,6]CC)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(N[6]C[6]2)(CH3)	H(C[6]C[6]2H)	C[6](C[6]N[6]O[6]C)(C[6]C[6,6]CC)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(N[6]C[6]2)(CH3){1|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.3520	0.000	1	108.3520	0.000	1	108.3520	0.000	1	108.3520	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[3x6]-4:C[6]-4:H-1:I-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]O[6]CH)(H)(I)	C[6](C[6]C[3x6]HI)(O[6]C[6])(CH3)(H)	H(C[6]C[3x6]C[6]I)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]O[6]CH)(H)(I){1|H<1>,5|C<3>}	C[6](C[6]C[3x6]HI)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[3x6]C[6]I)	109.6620	0.000	1	109.6620	0.000	1	109.6620	0.000	1	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CH)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCCO)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCCO)(H){2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	111.2715	2.104	2	111.2715	4.425	2	109.5081	0.546	22	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]O[6]CH)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCHH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCHH)(H){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.2903	0.127	4	109.2903	0.016	4	109.5081	0.546	22	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]CH)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCHH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1510	0.113	2	109.1510	0.013	2	109.5081	0.546	22	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]O[6]CH)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6,6])(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]O[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(O[6]C[6,6])(CH3)(H){2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.3492	0.040	12	109.3492	0.002	12	109.5081	0.546	22	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[6,6]N[5]S[5])(C[6]O[6]CH)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6,6])(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6,6]N[5]S[5])(C[6]O[6]CH)(H)2{1|C<3>,2|C<4>,2|O<2>}	C[6](C[6]C[5,6]HH)(O[6]C[6,6])(CH3)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,1|S<2>}	H(C[6]C[5,6]C[6]H)	109.4910	0.010	2	109.4910	0.000	2	109.5081	0.546	22	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]O[6]CH)(H)(I)	C[6](C[6]C[5,6]HI)(O[6]C[6])(CCHH)(H)	H(C[6]C[5,6]C[6]I)	C[6](C[5,6]N[5,6]C[5]H)(C[6]O[6]CH)(H)(I){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HI)(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[5,6]C[6]I)	108.8960	0.290	2	108.8960	0.084	2	108.8960	0.084	2	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]N[6]CH)(H)2	C[6](C[6]C[6,6]HH)(N[6]S[6])(CCHH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]N[6]CH)(H)2{1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]S[6])(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	H(C[6]C[6,6]C[6]H)	108.4177	0.133	4	108.4177	0.018	4	108.4177	0.018	4	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]O[6]CH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.6420	0.006	2	108.6420	0.000	2	109.2684	0.293	41	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]O[6]CH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]O[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHO)(H){1|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.4155	0.016	2	109.4155	0.000	2	109.2684	0.293	41	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]O[6]CH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCCO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]O[6]CH)(H)2{2|C<3>,3|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCCO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.5952	0.338	8	109.5952	0.114	8	109.2684	0.293	41	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(CH3)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.3910	0.532	2	109.3910	0.283	2	109.2684	0.293	41	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCl3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCl3)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.9610	0.028	3	108.9610	0.001	3	109.2684	0.293	41	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.6155	0.052	2	109.0120	1.369	6	109.2684	0.293	41	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.2103	1.458	4	109.0120	1.369	6	109.2684	0.293	41	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]O[6]CH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCl3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCl3)(H){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.0325	0.013	2	109.0325	0.000	2	109.2684	0.293	41	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]S)(C[6]O[6]CH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]S)(C[6]O[6]CH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.1850	0.085	4	109.1850	0.007	4	109.2684	0.293	41	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.5105	0.355	4	109.5105	0.126	4	109.2684	0.293	41	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]2)(C[6]O[6]CH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(CC3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]O[6]CH)(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(CC3)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9745	0.005	2	108.9745	0.000	2	109.2684	0.293	41	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6]S[6]2)(C[6]O[6]CH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(CHHO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]S[6]2)(C[6]O[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(CHHO)(H){1|O<2>,2|C<4>,2|S<2>}	H(C[6]C[6,6]C[6]H)	109.4322	0.244	6	109.4322	0.060	6	109.2684	0.293	41	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(Br)(H)	C[6](C[6]C[6]BrH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(Br)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]BrH)(O[6]C[6])(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2Br)	108.8870	0.000	1	108.8870	0.000	1	109.0975	0.089	2	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Br)(H)	C[6](C[6]C[6]BrH)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Br)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]BrH)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2Br)	109.3080	0.000	1	109.3080	0.000	1	109.0975	0.089	2	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:N[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]N[6]CH)(Cl)(H)	C[6](C[6]C[6]ClH)(N[6]C[6])(CH3)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6a]O[6]H)(C[6]N[6]CH)(Cl)(H){3|C<3>}	C[6](C[6]C[6]ClH)(N[6]C[6])(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2Cl)	108.8950	0.259	2	108.8950	0.067	2	108.8950	0.067	2	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Cl)(H)	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CCHH)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Cl)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CCHH)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2Cl)	108.3580	0.000	1	108.3580	0.000	1	108.6016	0.226	7	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Cl)(H)	C[6](C[6]C[6]ClH)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Cl)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]ClH)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2Cl)	108.6422	0.508	6	108.6422	0.258	6	108.6016	0.226	7	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]O[6]CH)(F)(H)	C[6](C[6]C[6]FH)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)(C[6]O[6]CH)(F)(H){1|C<4>,1|F<1>,1|H<1>}	C[6](C[6]C[6]FH)(O[6]C[6])(CHHO)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2F)	109.5625	0.731	4	109.6936	0.487	5	109.7975	0.454	6	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]O[6]CH)(F)(H)	C[6](C[6]C[6]FH)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)(C[6]O[6]CH)(F)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]FH)(O[6]C[6])(CHHO)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2F)	110.2180	0.000	1	109.6936	0.487	5	109.7975	0.454	6	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(F)(H)	C[6](C[6]C[6]FH)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(F)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]FH)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2F)	110.3170	0.000	1	110.3170	0.000	1	109.7975	0.454	6	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3]O[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[3]C[3]O[3]H)(O[6]C[6,6a])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3]O[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[3]C[3]O[3]H)(O[6]C[6,6a])(C[6]C[6]HH)(H){2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.8970	0.021	2	109.8970	0.000	2	109.8970	0.000	2	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[3x6]N[6]H)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CBrHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]N[6]H)(C[6]O[6]CH)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(CBrHH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[6]C[6]2H)	110.1395	0.019	2	110.1395	0.000	2	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHO)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2380	0.030	2	109.0050	0.073	4	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHO)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7720	0.004	2	109.0050	0.073	4	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]O[6]CH)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.0635	1.798	2	110.0635	3.233	2	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]N[6,6])(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]HH)(O[6]N[6,6])(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	108.4340	0.000	1	108.4340	0.000	1	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{3|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCCO)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5285	0.449	10	109.5285	0.202	10	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4386	0.165	8	109.4167	0.023	10	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{2|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3290	0.007	2	109.4167	0.023	10	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2807	0.139	3	109.5234	0.078	7	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5320	0.030	2	109.5234	0.078	7	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8790	0.027	2	109.5234	0.078	7	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0180	0.000	1	109.0180	0.000	1	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]O[6]CH)(H)2{1|Br<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|Br<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8840	2.010	2	109.8840	4.038	2	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]O[6]CH)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.8730	0.013	2	108.8730	0.000	2	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]O[6])(CCCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]HH)(O[6]O[6])(CCCO)(H){3|C<4>}	H(C[6]C[6]2H)	109.1900	0.007	2	109.1900	0.000	2	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H){1|H<1>,1|N<2>,3|C<4>}	H(C[6]C[6]2H)	109.0950	0.018	2	109.0772	0.001	4	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	109.0595	0.013	2	109.0772	0.001	4	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCCO)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.4785	0.046	2	109.7270	0.083	4	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{2|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCCO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.9755	0.026	2	109.7270	0.083	4	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{2|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.1153	0.045	4	109.1153	0.002	4	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.8800	1.382	2	108.9021	0.348	8	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.7155	0.154	4	108.9021	0.348	8	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.2975	0.018	2	108.9021	0.348	8	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6120	0.008	2	109.3937	0.067	4	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1755	0.107	2	109.3937	0.067	4	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,1|O<1>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.3625	0.009	2	109.3289	1.168	15	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.4740	0.040	2	109.3289	1.168	15	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4815	0.979	2	109.3289	1.168	15	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H){1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4965	0.005	2	109.3289	1.168	15	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5274	0.045	5	109.3289	1.168	15	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.3340	3.615	2	109.3289	1.168	15	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1725	0.066	2	109.1725	0.004	2	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCCO)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5930	0.033	4	109.5930	0.001	4	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	106.9760	0.365	2	106.9760	0.133	2	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5980	0.147	7	109.5980	0.022	7	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CBrCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CBrCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5683	0.022	4	109.5683	0.000	4	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CBrHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CBrHH)(H){1|B<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5410	0.000	1	109.5410	0.000	1	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.0805	0.116	4	109.3137	0.056	16	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4973	0.402	3	109.3137	0.056	16	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3562	0.131	9	109.3137	0.056	16	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,1|O<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCCO)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7755	0.006	2	109.7755	0.000	2	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3563	0.133	6	109.4381	0.030	30	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5995	0.040	2	109.4381	0.030	30	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5110	0.006	2	109.4381	0.030	30	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4855	0.100	4	109.4381	0.030	30	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4239	0.221	14	109.4381	0.030	30	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4540	0.007	2	109.4381	0.030	30	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7620	0.035	4	109.7620	0.001	4	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CH)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.8112	0.459	5	109.8112	0.210	5	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2550	0.045	2	109.4048	0.017	21	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4405	0.132	15	109.4048	0.017	21	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3458	0.066	4	109.4048	0.017	21	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCo2C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCo2C)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5213	0.015	4	109.4718	0.006	6	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCo2C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCo2C)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3730	0.008	2	109.4718	0.006	6	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.5870	0.000	1	109.4953	0.153	32	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5685	0.079	4	109.4953	0.153	32	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.6845	0.852	6	109.4953	0.153	32	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4825	0.701	2	109.4953	0.153	32	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4053	0.116	17	109.4953	0.153	32	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5140	0.030	2	109.4953	0.153	32	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.3815	0.011	2	109.3815	0.000	2	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CHHS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CHHS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6133	0.155	4	109.6133	0.024	4	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CN[5]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CN[5]HH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6180	0.410	2	108.6180	0.168	2	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.6213	0.263	8	109.6213	0.069	8	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(CC[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(CC[6]HH)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.4903	0.019	3	109.4903	0.000	3	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.5660	0.024	2	109.5660	0.001	2	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.4943	0.076	10	109.4902	0.015	20	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4715	0.012	2	109.4902	0.015	20	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.3220	0.022	4	109.4902	0.015	20	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6577	0.063	4	109.4902	0.015	20	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CClHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(O[6]C[6])(CClHH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.6112	0.974	8	109.6112	0.949	8	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]OO)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]OO)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	108.5837	1.085	4	108.5837	1.178	4	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]OO)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]OO)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	108.3842	1.008	4	108.3842	1.016	4	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(H)2{1|C<2>,3|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.5110	0.049	2	109.4288	0.020	6	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3877	0.160	4	109.4288	0.020	6	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CHHI)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(CHHI)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.7855	0.033	2	109.7855	0.001	2	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5100	0.030	2	109.5100	0.001	2	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]O[6]CH)(H)2{2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4710	0.881	4	109.4710	0.777	4	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CC)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CHHI)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CC)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CHHI)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.7095	0.022	2	109.7095	0.000	2	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|S<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.7625	0.032	2	109.7625	0.001	2	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHI)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]O[6]CH)(H)2{1|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHI)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2H)	110.0225	0.071	2	110.0225	0.005	2	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHN)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHN)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	111.2190	0.098	2	111.2190	0.010	2	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|S<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.3175	0.029	2	109.3175	0.001	2	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	110.3120	0.431	2	110.3120	0.186	2	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CC)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CC)(C[6]O[6]CH)(H)2{1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.9876	0.036	5	108.9876	0.001	5	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CC[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2{1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CC[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4800	0.195	2	109.4800	0.038	2	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2{1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.7960	0.004	2	109.7960	0.000	2	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2{1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.8159	0.165	29	109.8159	0.027	29	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CN[5]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2{1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(CN[5]HH)(H){1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.5280	0.007	2	109.5280	0.000	2	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]S[6])(CCHN)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2{1|S<3>}	C[6](C[6]C[6]HH)(O[6]S[6])(CCHN)(H){1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.2930	0.035	2	109.2930	0.001	2	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]O[6]HN)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]O[6]HN)(H)2{1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.5887	0.087	10	109.5887	0.008	10	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)2(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)2(H)2{1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.7495	0.008	2	109.7495	0.000	2	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)2(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)2(H)2{1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.9843	0.121	4	109.7408	0.083	11	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)2(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)2(H)2{1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.6017	0.264	7	109.7408	0.083	11	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)2(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHN)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)2(H)2{1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHN)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	110.0745	0.052	2	110.0745	0.003	2	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)2(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)2(H)2{1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.9647	0.828	4	109.4416	0.541	31	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)2(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)2(H)2{1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.5550	0.048	17	109.4416	0.541	31	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)2(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)2(H)2{1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5987	1.303	8	109.4416	0.541	31	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)2(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)2(H)2{1|Re<6>,1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|O<3>,2|H<1>}	H(C[6]C[6]2H)	108.8025	0.330	2	109.4416	0.541	31	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)2(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)2(H)2{1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.7300	0.008	2	109.7300	0.000	2	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)2(H)2	C[6](C[6]C[6]HH)(O[6]P[6])(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)2(H)2{1|P<4>}	C[6](C[6]C[6]HH)(O[6]P[6])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>}	H(C[6]C[6]2H)	108.4546	0.964	8	108.4546	0.929	8	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)2(H)2	C[6](C[6]C[6]HH)(O[6]P[6])(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)2(H)2{1|P<4>}	C[6](C[6]C[6]HH)(O[6]P[6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.3407	0.072	4	108.5150	0.051	7	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)2(H)2	C[6](C[6]C[6]HH)(O[6]P[6])(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)2(H)2{1|P<4>}	C[6](C[6]C[6]HH)(O[6]P[6])(CH3)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,1|S<1>}	H(C[6]C[6]2H)	108.7473	0.057	3	108.5150	0.051	7	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)2(H)2	C[6](C[6]C[6]HH)(O[6]S[6])(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)2(H)2{1|S<4>}	C[6](C[6]C[6]HH)(O[6]S[6])(CC3)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	H(C[6]C[6]2H)	109.2145	0.040	4	109.2145	0.002	4	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)2(H)2	C[6](C[6]C[6]HH)(O[6]S[6])(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)2(H)2{1|S<4>}	C[6](C[6]C[6]HH)(O[6]S[6])(CCCH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	108.3935	0.257	2	108.3935	0.066	2	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)2(H)2	C[6](C[6]C[6]HH)(O[6]S[6])(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)2(H)2{1|S<4>}	C[6](C[6]C[6]HH)(O[6]S[6])(CH3)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	108.5465	0.385	2	108.5465	0.149	2	109.4243	0.346	424	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:O-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]CO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]O[6]CO)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(O){1|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.6730	1.628	2	109.6730	2.650	2	109.6730	2.650	2	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]O[6]H)(H)2	C[6](C[6]C[6]2Cr)(O[6]C[6,6a])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]O[6]H)(H)2{1|Cr<9>,2|C<3>,2|C<4>}	C[6](C[6]C[6]2Cr)(O[6]C[6,6a])(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8190	0.028	2	109.8190	0.001	2	109.8190	0.001	2	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:S-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HS)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(SC[6a]OO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HS)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(SC[6a]OO)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7004	1.685	8	108.7004	2.838	8	108.7004	2.838	8	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]S[6]CH)(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]S[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(CCHH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8287	0.087	4	108.8287	0.008	4	108.8233	0.053	13	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]S[6]CH)(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]S[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9220	0.007	2	108.9220	0.000	2	108.8233	0.053	13	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]C)(C[6]S[6]CH)(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(CF3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]C)(C[6]S[6]CH)(H)2{3|C<3>}	C[6](C[6]C[6]HH)(S[6]C[6])(CF3)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	H(C[6]C[6]2H)	109.0770	0.199	3	109.0770	0.039	3	108.8233	0.053	13	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]S[6]CH)2(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]S[6]CH)2(H)2{1|C<3>,1|O<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|S<3>}	H(C[6]C[6]2H)	108.5782	0.164	4	108.5782	0.027	4	108.8233	0.053	13	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Se[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]Se[6]CH)2(H)2	C[6](C[6]C[6]HH)(Se[6]C[6])(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]Se[6]CH)2(H)2{1|C<4>}	C[6](C[6]C[6]HH)(Se[6]C[6])(CH3)(H){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.2587	0.014	4	108.2587	0.000	4	108.2587	0.000	4	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(H)(I)	C[6](C[6]C[6]HI)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2I)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(H)(I){1|C<3>,2|H<1>}	C[6](C[6]C[6]HI)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2I)	109.0100	0.000	1	109.0100	0.000	1	108.5907	0.598	4	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)(I)	C[6](C[6]C[6]HI)(O[6]C[6])(CHHI)(H)	H(C[6]C[6]2I)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)(I){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HI)(O[6]C[6])(CHHI)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2I)	107.5890	0.000	1	107.5890	0.000	1	108.5907	0.598	4	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]CH)(H)(I)	C[6](C[6]C[6]HI)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2I)	C[6](C[6]N[6]HH)(C[6]O[6]CH)(H)(I){1|C<3>,1|H<1>}	C[6](C[6]C[6]HI)(O[6]C[6])(CCHH)(H){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2I)	108.8820	0.668	2	108.8820	0.446	2	108.5907	0.598	4	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(H)(O)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(H)(O){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2O)	109.0820	0.000	1	109.0820	0.000	1	109.0820	0.000	1	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]CC)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]N[6]H)	109.2323	0.564	4	109.2323	0.318	4	109.2120	0.268	6	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]HH)(H)2{3|C<4>}	C[6](C[6]N[6]HH)(O[6]C[6])(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.1715	0.619	2	109.1715	0.383	2	109.2120	0.268	6	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(S[6]C[6]OO)(H)2	C[6](C[6]S[6]HH)(O[6]C[6])(CHHN)(H)	H(C[6]C[6]S[6]H)	C[6](C[6]O[6]CH)(S[6]C[6]OO)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]S[6]HH)(O[6]C[6])(CHHN)(H){1|C<4>,3|O<1>}	H(C[6]C[6]S[6]H)	109.5460	0.028	2	109.5460	0.001	2	109.5460	0.001	2	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	N[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:O-1:	C[6]-4:	C[6](N[4x6]C[3x6]C[6,6]2)(C[6]O[6]CO)(H)2	C[6](C[6]N[4x6]HH)(O[6]C[6])(CH3)(O)	H(C[6]N[4x6]C[6]H)	C[6](N[4x6]C[3x6]C[6,6]2)(C[6]O[6]CO)(H)2{4|C<4>,5|H<1>}	C[6](C[6]N[4x6]HH)(O[6]C[6])(CH3)(O){1|C<3>,1|H<1>,3|C<4>}	H(C[6]N[4x6]C[6]H)	108.8845	0.063	2	108.8845	0.004	2	108.8845	0.004	2	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5]H)(C[6]O[6]CH)(H)2	C[6](C[6]N[5,6]HH)(O[6]C[6])(CHHN)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]O[6]CH)(H)2{3|C<4>,3|H<1>}	C[6](C[6]N[5,6]HH)(O[6]C[6])(CHHN)(H){2|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	109.9585	0.028	2	109.9585	0.001	2	109.9585	0.001	2	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](N[6]C[6]AlC)(C[6]O[6]CH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]AlC)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H){1|Al<5>,1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	108.7265	0.045	4	108.7265	0.002	4	108.7265	0.002	4	109.3565	0.411	563	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:2:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]O[6]CO)(H)2	C[6](C[6]C[3x6]HH)(O[6]C[6])(CH3)(OH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]O[6]CO)(H)2{2|H<1>,4|C<4>}	C[6](C[6]C[3x6]HH)(O[6]C[6])(CH3)(OH){2|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	109.2210	0.021	2	109.2210	0.000	2	109.2210	0.000	2	109.1877	0.517	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CO)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)(OC)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)(OC){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.3480	0.037	2	109.3480	0.001	2	109.3480	0.001	2	109.1877	0.517	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]N[6]CO)(H)2	C[6](C[6]C[6]HH)(N[6]C[6,6])(CCHN)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]N[6]CO)(H)2{2|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6,6])(CCHN)(OH){1|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.0735	0.032	2	108.0735	0.001	2	108.7494	0.164	9	109.1877	0.517	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6]C[6a]S[6]H)(C[6]N[6]CO)(H)2	C[6](C[6]C[6]HH)(N[6]C[6])(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]S[6]H)(C[6]N[6]CO)(H)2{3|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6])(CH3)(OH){1|H<1>,1|S<2>,2|C<3>}	H(C[6]C[6]2H)	108.9435	0.008	2	108.9435	0.000	2	108.7494	0.164	9	109.1877	0.517	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6]C[6a]Se[6]H)(C[6]N[6]CO)(H)2	C[6](C[6]C[6]HH)(N[6]C[6])(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]Se[6]H)(C[6]N[6]CO)(H)2{3|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6])(CH3)(OH){1|Se<2>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	108.8173	0.093	3	108.8173	0.009	3	108.7494	0.164	9	109.1877	0.517	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6]N[6]CO)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6])(CCHH)(OH)	H(C[6]C[6]2H)	C[6](C[6]N[6]CO)(C[6]S[6]HH)(H)2{1|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6])(CCHH)(OH){1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	109.1295	0.033	2	109.1295	0.001	2	108.7494	0.164	9	109.1877	0.517	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]O[6]CO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]O[6]CO)(H)2{2|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(OH){1|C<3>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	108.4980	0.044	2	108.4980	0.002	2	109.2524	0.580	55	109.1877	0.517	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(OSi)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(H)2{4|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(OSi){1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.1870	0.066	2	109.1870	0.004	2	109.2524	0.580	55	109.1877	0.517	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CO)(H)2{3|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(OC){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8795	0.011	2	108.8795	0.000	2	109.2524	0.580	55	109.1877	0.517	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]CO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]O[6]CO)(H)2{2|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(OC){1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.7105	0.247	2	109.7105	0.061	2	109.2524	0.580	55	109.1877	0.517	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]CO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]O[6]CO)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH){1|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.8524	1.348	8	108.8524	1.818	8	109.2524	0.580	55	109.1877	0.517	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CO)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(OC){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6500	2.117	2	109.6500	4.482	2	109.2524	0.580	55	109.1877	0.517	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CO)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3640	0.340	3	109.3640	0.116	3	109.2524	0.580	55	109.1877	0.517	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CHHI)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CO)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CHHI)(OC){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0422	0.095	4	109.0422	0.009	4	109.2524	0.580	55	109.1877	0.517	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CO)(H)2	C[6](C[6]C[6]HH)(O[6]O[6])(CH3)(OO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CO)(H)2{1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(O[6]O[6])(CH3)(OO){1|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.8045	0.006	2	109.8045	0.000	2	109.2524	0.580	55	109.1877	0.517	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(OH){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9230	0.018	2	108.9230	0.000	2	109.2524	0.580	55	109.1877	0.517	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(OH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.2020	0.021	2	109.2020	0.000	2	109.2524	0.580	55	109.1877	0.517	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2{1|C<2>,3|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH){1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.4145	0.320	4	109.4632	0.052	12	109.2524	0.580	55	109.1877	0.517	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4397	0.194	6	109.4632	0.052	12	109.2524	0.580	55	109.1877	0.517	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6310	0.088	2	109.4632	0.052	12	109.2524	0.580	55	109.1877	0.517	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2	C[6](C[6]C[6]HH)(O[6]N[6])(CH3)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2{1|C<4>,1|N<2>,2|C<3>}	C[6](C[6]C[6]HH)(O[6]N[6])(CH3)(OC){1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.9278	0.069	4	109.3779	0.728	12	109.2524	0.580	55	109.1877	0.517	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2	C[6](C[6]C[6]HH)(O[6]N[6])(CH3)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2{1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]HH)(O[6]N[6])(CH3)(OC){1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	108.6900	1.267	4	109.3779	0.728	12	109.2524	0.580	55	109.1877	0.517	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2	C[6](C[6]C[6]HH)(O[6]N[6])(CH3)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2{1|N<3>,3|C<3>}	C[6](C[6]C[6]HH)(O[6]N[6])(CH3)(OC){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.5160	0.022	4	109.3779	0.728	12	109.2524	0.580	55	109.1877	0.517	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CC)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(CH3)(CCH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CC)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(CH3)(CCH){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.5390	0.007	2	109.5390	0.000	2	108.7165	0.902	4	108.8333	0.628	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]O[6]CC)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[5,6])(CH3)(CCH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]O[6]CC)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]HH)(O[6]C[5,6])(CH3)(CCH){2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	107.8940	0.034	2	107.8940	0.001	2	108.7165	0.902	4	108.8333	0.628	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(CCH){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.3927	0.840	7	108.3927	0.705	7	108.7455	0.809	21	108.8333	0.628	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(CHO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|C<4>,2|S<2>}	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(CHO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	107.4690	2.193	2	107.4690	4.811	2	108.7455	0.809	21	108.8333	0.628	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(CCH){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.7195	0.036	2	108.7195	0.001	2	108.7455	0.809	21	108.8333	0.628	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2{1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(CCH){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4310	0.030	2	109.4310	0.001	2	108.7455	0.809	21	108.8333	0.628	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(COO){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0457	0.185	4	109.0457	0.034	4	108.7455	0.809	21	108.8333	0.628	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)(O[6]O[6])(CCCH)(CHO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2{1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]HH)(O[6]O[6])(CCCH)(CHO){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2770	0.014	2	109.2770	0.000	2	108.7455	0.809	21	108.8333	0.628	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)(O[6]O[6])(CH3)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2{1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]HH)(O[6]O[6])(CH3)(COO){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4655	0.028	2	109.4655	0.001	2	108.7455	0.809	21	108.8333	0.628	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CN)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(NCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CN)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(NCH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1223	0.214	8	109.1223	0.046	8	109.1223	0.046	8	108.8333	0.628	33	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]O[6]CC)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6,6])(CH3)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]O[6]CC)(H)2{3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(O[6]C[6,6])(CH3)2{1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.1178	0.104	4	109.1178	0.011	4	108.7975	0.128	8	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]CC)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCHH)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]CC)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCHH)2{1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.5805	0.009	2	108.5805	0.000	2	108.7975	0.128	8	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]CC)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(CH3)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]CC)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(CH3)2{1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.3740	0.020	2	108.3740	0.000	2	108.7975	0.128	8	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6]O[6]CC)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6]O[6]CC)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(CH3)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.3825	0.021	2	109.3825	0.000	2	108.6315	2.282	6	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]O[6]CC)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]O[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	107.0870	2.062	2	107.0870	4.252	2	108.6315	2.282	6	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.4250	0.008	2	109.4250	0.000	2	108.6315	2.282	6	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6,6]O[6,6]S[6]H)(C[6]S[6]CC)(H)2	C[6](C[6]C[6,6]HH)(S[6]C[6,6])(CF3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]O[6,6]S[6]H)(C[6]S[6]CC)(H)2{2|C<4>}	C[6](C[6]C[6,6]HH)(S[6]C[6,6])(CF3)2{1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	106.8413	0.453	4	106.8413	0.205	4	106.8413	0.205	4	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Br)(H)	C[6](C[6]C[6]BrH)(O[6]C[6,6])(CH3)2	H(C[6]C[6]2Br)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Br)(H){2|C<3>}	C[6](C[6]C[6]BrH)(O[6]C[6,6])(CH3)2{2|C<3>,2|H<1>}	H(C[6]C[6]2Br)	107.7700	0.130	2	107.7700	0.017	2	107.9275	0.152	8	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(Br)(H)	C[6](C[6]C[6]BrH)(O[6]C[6,6a])(CH3)2	H(C[6]C[6]2Br)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(Br)(H){2|C<3>}	C[6](C[6]C[6]BrH)(O[6]C[6,6a])(CH3)2{2|C<3>,2|H<1>}	H(C[6]C[6]2Br)	107.5460	0.288	2	107.5460	0.083	2	107.9275	0.152	8	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]O[6]CC)(Br)(H)	C[6](C[6]C[6]BrH)(O[6]C[6,6a])(CH3)2	H(C[6]C[6]2Br)	C[6](C[6]C[6,6a]HO)(C[6]O[6]CC)(Br)(H){2|C<3>}	C[6](C[6]C[6]BrH)(O[6]C[6,6a])(CH3)2{1|C<3>,1|H<1>,1|N<2>,1|O<2>}	H(C[6]C[6]2Br)	108.2940	0.000	1	108.3290	0.063	3	107.9275	0.152	8	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]O[6]CC)(Br)(H)	C[6](C[6]C[6]BrH)(O[6]C[6,6a])(CH3)2	H(C[6]C[6]2Br)	C[6](C[6]C[6,6a]HO)(C[6]O[6]CC)(Br)(H){2|C<3>}	C[6](C[6]C[6]BrH)(O[6]C[6,6a])(CH3)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2Br)	108.3465	0.351	2	108.3290	0.063	3	107.9275	0.152	8	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(Br)(H)	C[6](C[6]C[6]BrH)(O[6]C[6])(CH3)2	H(C[6]C[6]2Br)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(Br)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]BrH)(O[6]C[6])(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2Br)	107.8010	0.000	1	107.8010	0.000	1	107.9275	0.152	8	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]ClH)(C[6]O[6]CC)(Cl)(H)	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6,6]ClH)(C[6]O[6]CC)(Cl)(H){2|C<3>}	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2{1|Cl<1>,1|H<1>,2|C<3>}	H(C[6]C[6]2Cl)	110.6790	0.000	1	110.6790	0.000	1	108.7996	0.588	9	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Cl)(H)	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Cl)(H){1|Cl<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2Cl)	108.1680	0.000	1	108.5343	0.114	7	108.7996	0.588	9	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Cl)(H)	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Cl)(H){2|C<3>}	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2Cl)	108.6330	0.417	3	108.5343	0.114	7	108.7996	0.588	9	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Cl)(H)	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Cl)(H){2|C<3>}	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2{2|C<3>,2|H<1>}	H(C[6]C[6]2Cl)	108.5577	0.291	3	108.5343	0.114	7	108.7996	0.588	9	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(Cl)(H)	C[6](C[6]C[6]ClH)(O[6]C[6,6a])(CH3)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(Cl)(H){2|C<3>}	C[6](C[6]C[6]ClH)(O[6]C[6,6a])(CH3)2{2|C<3>,2|H<1>}	H(C[6]C[6]2Cl)	108.7770	0.000	1	108.7770	0.000	1	108.7996	0.588	9	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(F)(H)	C[6](C[6]C[6]FH)(O[6]C[6])(CH3)2	H(C[6]C[6]2F)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(F)(H){1|Br<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]FH)(O[6]C[6])(CH3)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2F)	108.9770	0.000	1	108.9770	0.000	1	108.9770	0.000	1	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:O[6]-2:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5]O[6]C)(C[6]C[6,6a]HH)(H)2	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[5]O[6]C)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4640	0.011	2	109.4640	0.000	2	109.4640	0.000	2	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6])(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.2670	2.518	4	108.2670	6.342	4	108.2670	6.342	4	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]O[6]CC)(H)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.7975	0.021	2	108.7975	0.000	2	108.8313	0.586	89	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)(O[6]N[6,6])(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CC)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]HH)(O[6]N[6,6])(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.3050	0.021	2	109.3050	0.000	2	108.8313	0.586	89	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(CH3){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	106.9535	0.384	2	107.5225	0.233	6	108.8313	0.586	89	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(CH3){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	107.8070	0.127	4	107.5225	0.233	6	108.8313	0.586	89	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHO)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHO)(CH3){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.0150	2.285	2	108.0150	5.223	2	108.8313	0.586	89	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CC[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CC[6]HH)(CH3){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0525	0.018	2	109.0525	0.000	2	108.8313	0.586	89	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9355	0.155	4	108.9338	0.152	12	108.8313	0.586	89	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7110	0.017	3	108.9338	0.152	12	108.8313	0.586	89	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{2|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1070	0.013	2	108.9338	0.152	12	108.8313	0.586	89	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{2|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0390	0.824	3	108.9338	0.152	12	108.8313	0.586	89	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HO)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|C<4>,2|S<2>}	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HO)(CH3){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.8675	0.074	4	108.8675	0.005	4	108.8313	0.586	89	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]O[6]CC)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(CH3){1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.5315	0.469	2	108.7994	0.571	10	108.8313	0.586	89	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]O[6]CC)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(CH3){2|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.8664	0.823	8	108.7994	0.571	10	108.8313	0.586	89	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2{1|B<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.8600	0.004	2	108.8600	0.000	2	108.8313	0.586	89	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(CH3){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9765	0.018	2	108.7730	0.031	8	108.8313	0.586	89	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7052	0.144	6	108.7730	0.031	8	108.8313	0.586	89	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0730	0.000	1	109.0060	0.007	3	108.8313	0.586	89	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9725	0.080	2	109.0060	0.007	3	108.8313	0.586	89	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HP)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HP)(C[6]O[6]CC)(H)2{1|B<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2{1|C<4>,1|H<1>,1|P<4>,2|C<3>}	H(C[6]C[6]2H)	109.3105	0.043	4	109.3105	0.002	4	108.8313	0.586	89	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CC)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.8702	0.780	8	109.8702	0.608	8	108.8313	0.586	89	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)(O[6]P[6])(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]CC)(H)2{1|P<4>,2|C<3>}	C[6](C[6]C[6]HH)(O[6]P[6])(CH3)2{1|C<3>,1|H<1>,1|O<1>,2|O<2>}	H(C[6]C[6]2H)	108.7950	0.024	2	108.7950	0.001	2	108.8313	0.586	89	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]O[6]CC)(H)2{2|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.3110	0.646	6	109.3110	0.418	6	108.8313	0.586	89	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(CH3)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]O[6]CC)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(CH3){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.4505	1.696	2	108.4505	2.878	2	108.8313	0.586	89	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]O[6]CC)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2	H(C[6]C[6]2H)	C[6](C[6]O[6]CC)(C[6]O[6]CH)(H)2{1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.0017	0.100	6	109.0017	0.010	6	108.8313	0.586	89	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]O[6]CC)2(H)2	C[6](C[6]C[6]HH)(O[6]B[6])(CH3)2	H(C[6]C[6]2H)	C[6](C[6]O[6]CC)2(H)2{1|B<3>}	C[6](C[6]C[6]HH)(O[6]B[6])(CH3)2{1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	107.9665	0.038	4	108.0435	0.007	8	108.8313	0.586	89	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]O[6]CC)2(H)2	C[6](C[6]C[6]HH)(O[6]B[6])(CH3)2	H(C[6]C[6]2H)	C[6](C[6]O[6]CC)2(H)2{1|B<3>}	C[6](C[6]C[6]HH)(O[6]B[6])(CH3)2{2|C<4>,2|O<2>}	H(C[6]C[6]2H)	108.1205	0.015	4	108.0435	0.007	8	108.8313	0.586	89	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]S[6]CC)(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]S[6]CC)(H)2{2|C<3>}	C[6](C[6]C[6]HH)(S[6]C[6])(CH3)2{1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	108.8370	0.007	2	108.8370	0.000	2	108.8370	0.000	2	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si[6]-2:Si-4:Si-4:	C[6]-4:	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(Si[6]Si[6])(SiC3)2	H(C[6]C[6]2H)	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2{1|Si<3>,2|Si<4>}	C[6](C[6]C[6]HH)(Si[6]Si[6])(SiC3)2{1|Si<4>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.8970	0.040	2	107.8970	0.002	2	107.8970	0.002	2	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)(I)	C[6](C[6]C[6]HI)(O[6]C[6])(CCHH)(CH3)	H(C[6]C[6]2I)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HI)(O[6]C[6])(CCHH)(CH3){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2I)	107.4120	0.000	1	107.4120	0.000	1	107.4120	0.000	1	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6]-4:P[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]O[6]CC)(P[6]O[6]CW)(H)2	C[6](C[6]P[6]HH)(O[6]Ge[6])(CF3)2	H(C[6]C[6]P[6]H)	C[6](C[6]O[6]CC)(P[6]O[6]CW)(H)2{1|Ge<4>}	C[6](C[6]P[6]HH)(O[6]Ge[6])(CF3)2{1|O<2>,1|W<6>,3|C<4>}	H(C[6]C[6]P[6]H)	107.7120	0.027	2	107.7120	0.001	2	107.8030	0.012	4	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:2:4:4:	4:	C[6]-4:P[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]O[6]CC)(P[6]O[6]CW)(H)2	C[6](C[6]P[6]HH)(O[6]Si[6])(CF3)2	H(C[6]C[6]P[6]H)	C[6](C[6]O[6]CC)(P[6]O[6]CW)(H)2{1|Si<4>}	C[6](C[6]P[6]HH)(O[6]Si[6])(CF3)2{1|O<2>,1|W<6>,3|C<4>}	H(C[6]C[6]P[6]H)	107.8940	0.045	2	107.8940	0.002	2	107.8030	0.012	4	108.6514	0.845	140	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[3,5,6]C[6]H)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[3,5,6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	H(C[6]C[3,5,6]C[6]H)	109.0210	0.018	2	108.8253	0.025	6	108.8253	0.025	6	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[3,5,6]C[6]H)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[3,5,6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	H(C[6]C[3,5,6]C[6]H)	108.7275	0.058	4	108.8253	0.025	6	108.8253	0.025	6	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	H(C[6]C[3,6,6]C[6]H)	109.3272	0.174	4	109.4360	0.027	10	109.4360	0.027	10	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|O<1>,3|H<1>,4|C<4>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	H(C[6]C[3,6,6]C[6]H)	109.5085	0.119	6	109.4360	0.027	10	109.4360	0.027	10	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6]2C[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[3,6,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6]2C[6])(C[6]N[6]HH)(H)2{1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6,6]HH)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[3,6,6]C[6]H)	108.6843	0.043	3	108.6843	0.002	3	108.6843	0.002	3	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:Br-1:H-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]BrH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(Br)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]BrH)(H)2{2|Br<1>,1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(Br)(H){1|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	109.6420	0.008	2	109.5655	0.008	4	109.5655	0.008	4	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:Br-1:H-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]BrH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(Br)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]BrH)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(Br)(H){1|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	109.4890	0.035	2	109.5655	0.008	4	109.5655	0.008	4	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H)2{4|C<4>}	H(C[6]C[3,6]C[6]H)	109.6345	0.006	2	109.6345	0.000	2	109.3641	0.700	11	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[3,6]C[6]H)	108.7800	0.105	2	108.7800	0.011	2	109.3641	0.700	11	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{2|Br<1>,1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	109.7890	0.072	4	109.4537	1.017	7	109.3641	0.700	11	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	109.0067	1.587	3	109.4537	1.017	7	109.3641	0.700	11	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[3,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[6]C[3,6]HH)(N[6]C[6]S)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[3,6]C[6]H)	108.9910	0.025	2	108.9910	0.001	2	109.5139	0.083	10	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[3,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[3,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[3,6]C[6]H)	109.7245	0.036	2	109.7245	0.001	2	109.5139	0.083	10	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(C[6]N[6]HH)(H)2	C[6](C[6]C[3,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]N[6]HH)(H)2{1|S<4>,2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(N[6]C[6]S)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	109.6180	0.097	6	109.6180	0.009	6	109.5139	0.083	10	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[3x6]C[6]H)	109.6475	1.238	2	109.6475	1.533	2	109.5291	0.821	50	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	109.0670	0.000	1	109.0670	0.000	1	109.5291	0.821	50	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]C)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,3|H<1>,5|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	108.9398	0.043	4	108.9398	0.002	4	109.5291	0.821	50	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]N[6]O)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<4>}	C[6](C[6]C[3x6]HH)(C[6]N[6]O)(H)2{1|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	110.1580	0.033	2	109.7742	0.197	4	109.5291	0.821	50	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]N[6]O)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<4>}	C[6](C[6]C[3x6]HH)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	H(C[6]C[3x6]C[6]H)	109.3905	0.008	2	109.7742	0.197	4	109.5291	0.821	50	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,4|C<4>,4|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	108.5078	0.161	4	108.5078	0.026	4	109.5291	0.821	50	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]N[6]O)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,4|C<4>,4|H<1>}	C[6](C[6]C[3x6]HH)(C[6]N[6]O)(H)2{1|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	108.9700	0.118	4	108.9700	0.014	4	109.5291	0.821	50	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6,6]O)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[3x6]C[6]H)	108.1940	0.010	2	108.1940	0.000	2	109.5291	0.821	50	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]N[6,6]O)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<4>}	C[6](C[6]C[3x6]HH)(C[6]N[6,6]O)(H)2{1|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	110.2108	0.061	4	110.2108	0.004	4	109.5291	0.821	50	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[3x6]C[6]H)	109.1080	0.000	1	109.1080	0.000	1	109.5291	0.821	50	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[5,6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3x6]C[6]H)	110.5375	1.514	6	110.5375	2.292	6	109.5291	0.821	50	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]N[5,6]O)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<4>}	C[6](C[6]C[3x6]HH)(C[6]N[5,6]O)(H)2{1|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	110.2690	0.098	5	110.2690	0.010	5	109.5291	0.821	50	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[5,6]O)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[3x6]C[6]H)	109.3810	0.031	2	109.7858	0.070	9	109.5291	0.821	50	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<4>,1|O<1>,3|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[5,6]O)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[3x6]C[6]H)	109.9014	0.150	7	109.7858	0.070	9	109.5291	0.821	50	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6,6]O)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[3x6]C[6]H)	108.6760	0.027	2	108.6760	0.001	2	109.5291	0.821	50	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	108.4975	0.111	2	108.4975	0.012	2	109.5291	0.821	50	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	109.2215	0.071	2	109.2215	0.005	2	109.1377	0.128	40	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[3x6]C[6]H)	108.7665	0.672	4	108.8214	0.197	8	109.1377	0.128	40	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[3x6]C[6]H)	108.8690	0.035	2	108.8214	0.197	8	109.1377	0.128	40	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[3x6]C[6]H)	108.8835	0.006	2	108.8214	0.197	8	109.1377	0.128	40	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[3x6]HH)(N[6]C[6]S)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C[6](C[6]C[3x6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	109.0390	0.023	2	109.0390	0.001	2	109.1377	0.128	40	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[3x6]C[6]H)	109.5020	0.011	2	109.3023	0.024	26	109.1377	0.128	40	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	109.4245	0.069	2	109.3023	0.024	26	109.1377	0.128	40	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	109.0400	0.078	2	109.3023	0.024	26	109.1377	0.128	40	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	109.0615	0.005	2	109.3023	0.024	26	109.1377	0.128	40	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	109.3118	0.114	16	109.3023	0.024	26	109.1377	0.128	40	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2{3|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	109.4080	0.037	2	109.3023	0.024	26	109.1377	0.128	40	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[6,6a]C[6,6]2)(C[6]N[6]HH)(H)2	C[6](C[6]C[3x6]HH)(N[6]C[6]C)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[6,6]2)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[3x6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[3x6]C[6]H)	108.2770	0.006	2	108.2770	0.000	2	109.1377	0.128	40	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[4,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[4,3x6]C[4,6,6]C[3x6]C[4,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,3x6]HH)(C[6]C[6]O)(H)2	H(C[6]C[4,3x6]C[6]H)	C[6](C[4,3x6]C[4,6,6]C[3x6]C[4,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[4,3x6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[4,3x6]C[6]H)	109.8483	0.073	4	109.8483	0.005	4	109.8483	0.005	4	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[4,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[4,5,6]C[4,5,6]C[4,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[4,5,6]C[6]H)	C[6](C[4,5,6]C[4,5,6]C[4,6]C[5])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[4,5,6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	H(C[6]C[4,5,6]C[6]H)	108.7075	0.032	2	108.7075	0.001	2	108.7075	0.001	2	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[4,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[4,6]BrH)(C[6]C[6]H)(H)2	H(C[6]C[4,6]C[6]Br)	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HH)(Br)(H){2|C<3>,2|H<1>}	C[6](C[6]C[4,6]BrH)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[4,6]C[6]Br)	109.3540	0.000	1	109.3540	0.000	1	109.3540	0.000	1	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,5,6,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]N[5,6]O)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6,6]C[4]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]HH)(C[6]N[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[4,6]C[6]H)	109.4595	0.011	2	109.4595	0.000	2	109.3511	0.705	20	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]N[6]O)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[6]C[4,6]HH)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]H)	109.0975	0.015	2	109.0975	0.000	2	109.3511	0.705	20	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[4,6]C[6]H)	108.5085	0.036	2	108.5085	0.001	2	109.3511	0.705	20	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]N[5,6]O)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]N[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[4,6]C[6]H)	109.6725	0.028	2	109.6725	0.001	2	109.3511	0.705	20	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,5,6]N[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]N[5,6]O)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]N[4]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]C[4,6]HH)(C[6]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[4,6]C[6]H)	109.5490	0.052	2	109.5490	0.003	2	109.3511	0.705	20	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6,6]C[4]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6,6]H)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6,6]C[4]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6,6]H)(H)2{1|C<3>,3|C<4>}	H(C[6]C[4,6]C[6]H)	108.8127	0.060	4	108.8127	0.004	4	109.3511	0.705	20	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[4,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]H)	109.8815	2.890	2	109.8815	8.352	2	109.3511	0.705	20	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]H)	110.1825	0.005	2	110.1825	0.000	2	109.3511	0.705	20	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]N[6]O)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[4,6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[4,6]C[6]H)	109.5345	0.025	2	109.5345	0.001	2	109.3511	0.705	20	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[4,6]HH)(N[6]C[6]H)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[4,6]HH)(N[6]C[6]H)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[4,6]C[6]H)	109.8825	0.008	2	109.8825	0.000	2	109.4610	0.238	4	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]N[4]C)(C[6]N[6]HH)(H)2	C[6](C[6]C[4,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]N[4]C)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]C[4,6]HH)(N[6]C[6]S)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]H)	109.0395	0.066	2	109.0395	0.004	2	109.4610	0.238	4	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[5,6]C)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[4x6]HH)(C[6]C[5,6]C)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[4x6]C[6]H)	108.8360	0.018	2	108.8360	0.000	2	108.6931	0.459	15	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[6]O)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	H(C[6]C[4x6]C[6]H)	107.3120	1.263	2	108.0840	1.330	4	108.6931	0.459	15	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[6]O)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[4x6]C[6]H)	108.8560	0.099	2	108.0840	1.330	4	108.6931	0.459	15	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[5,6]C)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[6](C[6]C[4x6]HH)(C[6]C[5,6]C)(H)2{2|C<3>,2|C<4>}	H(C[6]C[4x6]C[6]H)	108.8666	0.210	7	108.9320	0.050	9	108.6931	0.459	15	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[5,6]C)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[4x6]HH)(C[6]C[5,6]C)(H)2{2|C<3>,2|C<4>}	H(C[6]C[4x6]C[6]H)	109.1610	0.035	2	108.9320	0.050	9	108.6931	0.459	15	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[6,6a]C[4x6]C[6,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[4x6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[6,6a]C[4x6]C[6,6])(C[6]N[6]HH)(H)2{1|H<1>,2|N<3>,3|C<3>,3|C<4>}	C[6](C[6]C[4x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[4x6]C[6]H)	109.2843	0.038	4	109.2843	0.001	4	109.2843	0.001	4	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,3x6]C[6]H)	113.3735	0.523	2	109.5923	1.616	33	109.5923	1.616	33	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,3x6]C[6]H)	109.6655	0.026	2	109.5923	1.616	33	109.5923	1.616	33	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,3x6]C[6]H)	109.3860	0.000	1	109.5923	1.616	33	109.5923	1.616	33	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,3x6]C[6]H)	109.2005	0.126	4	109.5923	1.616	33	109.5923	1.616	33	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,3x6]C[6]H)	109.6760	0.000	1	109.5923	1.616	33	109.5923	1.616	33	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,3x6]C[6]H)	109.3306	0.966	23	109.5923	1.616	33	109.5923	1.616	33	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,4x6]C[5,6,6a]C[4,4x6]C[5,6,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[5,4x6]C[6]H)	C[6](C[5,4x6]C[5,6,6a]C[4,4x6]C[5,6,6])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,4x6]C[6]H)	109.2210	0.000	1	109.2210	0.000	1	108.9234	0.158	17	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[5,4x6]C[6]H)	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2{1|C<2>,1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,4x6]C[6]H)	109.0540	0.027	2	108.9048	0.162	16	108.9234	0.158	17	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[5,4x6]C[6]H)	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,4x6]C[6]H)	109.0523	0.206	4	108.9048	0.162	16	108.9234	0.158	17	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[5,4x6]C[6]H)	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>,4|C<4>}	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,4x6]C[6]H)	108.8137	0.546	8	108.9048	0.162	16	108.9234	0.158	17	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[5,4x6]C[6]H)	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2{1|O<2>,3|C<3>,5|C<4>}	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,4x6]C[6]H)	108.8250	0.031	2	108.9048	0.162	16	108.9234	0.158	17	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,5])(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[5,5,6,6]BrH)(C[6]C[6]H)(H)2	H(C[6]C[5,5,6,6]C[6]Br)	C[6](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,5])(C[6]C[6]HH)(Br)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5,5,6,6]BrH)(C[6]C[6]H)(H)2{2|C<4>,2|O<2>}	H(C[6]C[5,5,6,6]C[6]Br)	108.2380	0.000	1	108.2380	0.000	1	108.2380	0.000	1	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,6|C<4>}	C[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]O)(H)2{1|H<1>,4|C<4>}	H(C[6]C[5,5,6,6]C[6]H)	109.7195	2.683	2	109.6070	2.418	4	109.6070	2.418	4	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]HH)(H)2{1|H<1>,3|O<2>,6|C<4>}	C[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]O)(H)2{1|H<1>,4|C<4>}	H(C[6]C[5,5,6,6]C[6]H)	109.4945	0.033	2	109.6070	2.418	4	109.6070	2.418	4	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,5,6,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[6](C[6]C[5,5,6,6]HH)(N[6]C[6]S)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5,5,6,6]C[6]H)	109.9975	0.028	2	109.4213	0.443	4	109.4213	0.443	4	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,5,6,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]N[6]HH)(H)2{1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,5,6,6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,5,6,6]C[6]H)	108.8450	0.007	2	109.4213	0.443	4	109.4213	0.443	4	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,5,6]C[6]H)	109.1415	0.013	2	109.1415	0.000	2	109.1479	0.141	11	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]N)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]N)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[5,5,6]C[6]H)	108.8150	0.771	2	108.8150	0.594	2	109.1479	0.141	11	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[5,5,6]C[6]H)	109.6960	0.000	1	109.6960	0.000	1	109.1479	0.141	11	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,5,6]C[6]H)	109.1072	0.210	5	109.1072	0.044	5	109.1479	0.141	11	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[5,5,6]C[6]H)	109.4820	0.000	1	109.4820	0.000	1	109.1479	0.141	11	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(N[6]C[5,6]C)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]N[6]HH)(H)2{1|N<2>,2|C<4>,5|C<3>}	C[6](C[6]C[5,5,6]HH)(N[6]C[5,6]C)(H)2{2|C<4>,3|C<3>}	H(C[6]C[5,5,6]C[6]H)	109.5530	0.000	1	109.7775	0.101	2	109.3732	0.419	20	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(N[6]C[5,6]C)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]N[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5,5,6]HH)(N[6]C[5,6]C)(H)2{2|C<3>,3|C<4>}	H(C[6]C[5,5,6]C[6]H)	110.0020	0.000	1	109.7775	0.101	2	109.3732	0.419	20	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(N[6]C[5,6]H)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]N[6]HH)(H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,5,6]HH)(N[6]C[5,6]H)(H)2{2|C<3>,3|C<4>}	H(C[6]C[5,5,6]C[6]H)	110.0260	1.103	4	110.0260	1.216	4	109.3732	0.419	20	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(N[6]C[6]H)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]N[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,5,6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,5,6]C[6]H)	108.7420	0.017	2	108.7420	0.000	2	109.3732	0.419	20	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,6|C<4>}	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,5,6]C[6]H)	109.0835	0.064	4	109.0835	0.004	4	109.3732	0.419	20	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[6]C[5,5,6]C[6]H)	109.8180	0.006	2	109.3397	0.142	6	109.3732	0.419	20	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,2|N<3>,5|C<3>}	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[5,5,6]C[6]H)	109.1760	0.031	2	109.3397	0.142	6	109.3732	0.419	20	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[5,5,6]C[6]H)	109.0250	0.018	2	109.3397	0.142	6	109.3732	0.419	20	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,2|N<3>,3|C<3>}	C[6](C[6]C[5,5,6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,5,6]C[6]H)	108.9745	0.018	2	108.9745	0.000	2	109.3732	0.419	20	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:Br-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]BrH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]Br)(Br)(H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]BrH)(H)2{1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]Br)(Br)(H){2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	108.6693	0.097	4	108.6693	0.009	4	108.6828	0.006	6	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:Br-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]BrH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(Br)(H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]BrH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(Br)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6,6]C[6]H)	108.7100	0.008	2	108.7100	0.000	2	108.6828	0.006	6	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(H)2{4|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.3863	0.058	3	109.4846	0.012	8	109.3097	0.073	62	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(H)2{4|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.5003	0.071	3	109.4846	0.012	8	109.3097	0.073	62	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(H)2{4|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.6085	0.076	2	109.4846	0.012	8	109.3097	0.073	62	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]S)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,1|S<1>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]S)(H)2{4|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.3622	0.068	6	109.3622	0.005	6	109.3097	0.073	62	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,4|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.1608	0.091	4	109.1608	0.008	4	109.3097	0.073	62	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.5195	0.026	2	109.5195	0.001	2	109.3097	0.073	62	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(H)2{4|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.1290	0.016	2	109.1290	0.000	2	109.3097	0.073	62	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]O[6]O)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]O[6]O)(H)2{3|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.2435	0.022	2	109.2435	0.000	2	109.3097	0.073	62	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,4|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	109.3595	0.011	2	109.3595	0.000	2	109.3097	0.073	62	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]2O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]2O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,4|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.1750	0.023	2	109.1750	0.001	2	109.3097	0.073	62	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.6930	0.054	6	109.6930	0.003	6	109.3097	0.073	62	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(H)2{4|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.3780	0.078	2	109.3780	0.006	2	109.3097	0.073	62	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	108.5555	0.005	2	108.5555	0.000	2	109.3097	0.073	62	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.5420	0.020	2	108.5420	0.000	2	109.3097	0.073	62	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.4043	0.083	4	109.2882	0.037	6	109.3097	0.073	62	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|S<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.0560	0.041	2	109.2882	0.037	6	109.3097	0.073	62	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.5730	0.014	2	109.5730	0.000	2	109.3097	0.073	62	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.4045	0.021	2	109.4045	0.000	2	109.3097	0.073	62	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]N[6]O)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]N[6]O)(H)2{1|C<3>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.2960	0.057	2	109.2960	0.003	2	109.3097	0.073	62	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.2905	0.019	2	109.2905	0.000	2	109.3097	0.073	62	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]N[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]N[5,6])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[5,6,6]C[6]H)	109.0785	0.060	2	109.0785	0.004	2	109.3097	0.073	62	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[6,6]N[5,6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[6,6]N[5,6]O[5])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2{1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.3328	0.052	4	109.3328	0.003	4	109.3097	0.073	62	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[5,6,6]C[6]H)	109.1010	0.010	2	109.1010	0.000	2	109.3097	0.073	62	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(N[6]C[5,6,6]S)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]N[6]HH)(H)2{1|S<4>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(N[6]C[5,6,6]S)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	109.0035	0.894	2	109.0035	0.800	2	109.1484	0.206	28	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.4040	0.025	2	109.4040	0.001	2	109.1484	0.206	28	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>,3|C<4>}	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]C)(H)2{2|C<4>,3|C<3>}	H(C[6]C[5,6,6]C[6]H)	109.7175	0.169	2	109.4813	0.071	7	109.1484	0.206	28	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.3868	0.247	5	109.4813	0.071	7	109.1484	0.206	28	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2{2|H<1>,3|C<3>,4|C<4>}	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.3850	0.013	2	109.2540	0.052	3	109.1484	0.206	28	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2{2|H<1>,3|C<3>,4|C<4>}	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	108.9920	0.000	1	109.2540	0.052	3	109.1484	0.206	28	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]S)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]N[6]HH)(H)2{1|S<4>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]S)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.4295	0.213	4	108.4295	0.045	4	109.1484	0.206	28	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]N[6]HH)(H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	109.0230	0.011	2	108.9117	0.017	4	109.1484	0.206	28	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]N[6]HH)(H)2{1|S<4>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]HH)(N[6]C[6]S)(H)2{1|C<3>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.8005	0.025	2	108.9117	0.017	4	109.1484	0.206	28	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.4500	0.349	4	109.3073	0.122	6	109.1484	0.206	28	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]N[6]HH)(H)2{1|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.0220	0.018	2	109.3073	0.122	6	109.1484	0.206	28	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]C)(H)2	H(C[6]C[5,6]C[6]Br)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Br)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]C)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]Br)	106.4910	0.000	1	106.4910	0.000	1	106.4910	0.000	1	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]ClH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(Cl)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]ClH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	109.7777	0.099	6	109.7777	0.010	6	109.7777	0.010	6	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]FH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]F)(F)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]FH)(H)2{1|H<1>,2|F<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]F)(F)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5,6]C[6]H)	108.3593	1.195	4	108.3593	1.428	4	108.3593	1.428	4	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[3,6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[3,6]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.9870	0.034	2	109.1570	0.039	4	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[3,6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,2|O<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[3,6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.3270	0.030	2	109.1570	0.039	4	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.2645	0.006	2	109.2645	0.000	2	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.2715	0.035	2	109.2715	0.001	2	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.8645	0.012	2	108.8645	0.000	2	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|O<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2897	0.196	4	109.3792	0.042	6	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H)2{2|O<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.5580	0.011	2	109.3792	0.042	6	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.2450	0.037	2	109.2450	0.001	2	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6a]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6a]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.0860	0.013	2	109.0860	0.000	2	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2{1|S<4>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[5,6]C[6]H)	108.7855	0.070	2	108.7855	0.005	2	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.5395	0.040	2	110.5395	0.002	2	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{5|C<4>}	H(C[6]C[5,6]C[6]H)	108.6325	0.035	2	108.6325	0.001	2	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.1750	0.007	2	109.1750	0.000	2	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.9355	0.050	2	108.9355	0.003	2	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]O[5,6]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]O[5,6]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.3150	0.044	2	109.3150	0.002	2	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<1>,2|O<2>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2{2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.3785	1.423	2	108.7996	1.360	8	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2{5|C<4>}	H(C[6]C[5,6]C[6]H)	109.1885	0.006	2	108.7996	1.360	8	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<4>,2|O<1>,2|O<2>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.8157	1.510	4	108.7996	1.360	8	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.8705	1.252	4	109.8705	1.567	4	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6,6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6,6]O)(H)2{1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.7030	0.000	1	109.7030	0.000	1	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.5595	0.037	4	109.5595	0.001	4	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{4|C<4>}	H(C[6]C[5,6]C[6]H)	108.7925	0.028	2	108.7925	0.001	2	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.2065	0.015	2	109.2065	0.000	2	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]O[6]O)(H)2{1|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.6745	0.019	2	109.6745	0.000	2	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2885	0.029	2	109.2885	0.001	2	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.6955	0.046	2	109.6955	0.002	2	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.1615	0.233	2	109.1615	0.054	2	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5]C[6])(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[5]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.8810	0.192	8	109.8810	0.037	8	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.4737	0.108	4	109.2617	0.115	6	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.8375	0.011	2	109.2617	0.115	6	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.4055	0.515	2	109.6036	0.637	10	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<2>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.9045	0.054	2	109.6036	0.637	10	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.3893	0.282	4	109.6036	0.637	10	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.9295	2.138	2	109.6036	0.637	10	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|B<3>,2|O<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.8830	1.278	2	109.3203	1.201	17	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.1850	0.030	2	109.3203	1.201	17	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	H(C[6]C[5,6]C[6]H)	109.6330	0.000	1	109.3203	1.201	17	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.7295	0.156	4	109.3203	1.201	17	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.4440	0.000	1	109.3203	1.201	17	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	H(C[6]C[5,6]C[6]H)	108.7220	1.322	2	109.3203	1.201	17	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	107.7005	1.661	2	109.3203	1.201	17	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.4590	0.000	1	109.3203	1.201	17	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|O<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5,6]C[6]H)	111.0050	0.372	2	109.3203	1.201	17	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{1|Fe<10>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.8915	0.005	2	109.8915	0.000	2	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)2{1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.9790	0.000	1	108.9790	0.000	1	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]N)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]N)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1895	0.006	2	109.1360	0.003	5	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]N)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]N)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.1003	0.035	3	109.1360	0.003	5	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3059	0.096	8	109.6386	0.790	14	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1285	0.025	2	109.6386	0.790	14	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	111.6965	0.479	2	109.6386	0.790	14	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|Br<1>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.4220	0.020	2	109.6386	0.790	14	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.0065	0.013	2	110.0065	0.000	2	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.5810	0.119	2	109.6344	0.038	10	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.7195	0.074	4	109.6344	0.038	10	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.8310	0.042	2	109.6344	0.038	10	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.3210	0.011	2	109.6344	0.038	10	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)2{1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.9835	0.050	4	108.9835	0.003	4	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.8137	0.320	4	109.5441	3.007	8	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	110.2745	2.343	4	109.5441	3.007	8	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	109.4575	0.045	2	109.3833	0.008	4	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3090	0.004	2	109.3833	0.008	4	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.4475	0.011	2	109.4475	0.000	2	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.0130	0.080	4	109.0130	0.006	4	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]HH)(H)2{1|S<4>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<4>}	H(C[6]C[5,6]C[6]H)	109.2360	0.014	2	109.2360	0.000	2	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[5,6]C[6]H)	109.3005	0.009	2	109.3005	0.000	2	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[5,6]C[6]H)	109.6374	0.081	5	109.6337	0.840	7	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.6245	2.239	2	109.6337	0.840	7	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.9280	0.144	8	110.3034	0.823	21	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	112.4100	1.182	2	110.3034	0.823	21	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5,6]C[6]H)	110.1780	0.000	1	110.3034	0.823	21	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[5,6]C[6]H)	110.4375	0.569	4	110.3034	0.823	21	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[5,6]C[6]H)	110.4163	0.725	4	110.3034	0.823	21	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2670	0.287	2	110.3034	0.823	21	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	109.1915	0.018	2	109.1915	0.000	2	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]O)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.4650	0.007	2	109.4650	0.000	2	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.4030	0.011	2	109.4030	0.000	2	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	109.0585	0.019	2	109.0585	0.000	2	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	109.2785	0.025	2	109.2596	0.030	7	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	109.2677	0.299	3	109.2596	0.030	7	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,1|S<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|Cl<1>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	109.2285	0.021	2	109.2596	0.030	7	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.5880	0.000	1	108.5880	0.000	1	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.3320	0.028	2	109.0967	0.038	6	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.9790	0.083	4	109.0967	0.038	6	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]O[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	109.6300	0.000	1	109.6300	0.000	1	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]S[6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|S<2>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]S[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	110.0590	0.000	1	110.0590	0.000	1	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]S[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]S[5]2)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{2|C<3>,2|S<2>}	H(C[6]C[5,6]C[6]H)	108.4455	0.237	2	108.4455	0.056	2	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|S<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.7536	0.060	5	108.7536	0.004	5	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.5390	0.008	2	109.5390	0.000	2	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.5200	0.007	2	109.6521	0.025	10	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.4335	0.011	2	109.6521	0.025	10	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.7683	0.070	3	109.6521	0.025	10	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5,6]C[6]H)	109.7697	0.048	3	109.6521	0.025	10	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.7460	0.014	2	109.7460	0.000	2	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.1420	0.017	2	109.1420	0.000	2	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.0430	0.037	4	109.0430	0.001	4	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2220	0.007	2	109.1046	0.016	5	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	H(C[6]C[5,6]C[6]H)	108.9740	0.030	2	109.1046	0.016	5	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5,6]C[6]H)	109.1310	0.000	1	109.1046	0.016	5	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2N[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<2>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[5,6]C[6]H)	109.0378	0.069	4	109.0378	0.005	4	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(H)2{1|C<2>,1|N<3>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.5540	0.008	2	109.5540	0.000	2	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|N<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.1372	1.994	4	109.1372	3.978	4	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.0716	2.628	8	109.0601	5.374	10	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0140	0.006	2	109.0601	5.374	10	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2{1|C<3>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.8955	0.025	2	109.8955	0.001	2	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2{2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.3300	0.051	3	109.3300	0.003	3	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{2|C<3>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.6685	0.025	2	109.6685	0.001	2	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.6560	0.000	1	109.6560	0.000	1	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.2512	0.053	4	109.2512	0.003	4	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[5,6]C[6]H)	109.4905	0.026	2	109.4905	0.001	2	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[5,6]C[6]H)	110.1770	0.021	2	110.1770	0.000	2	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,5|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5,6]C[6]H)	109.6930	0.008	2	109.6930	0.000	2	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.2993	0.038	4	109.2993	0.001	4	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]N)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]N)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.2648	0.115	20	109.2648	0.013	20	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	107.4545	0.005	2	108.4727	1.383	4	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.4910	0.016	2	108.4727	1.383	4	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[6a]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[6a]O[5])(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.2225	0.041	4	109.2225	0.002	4	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.3065	0.033	2	109.3065	0.001	2	109.4010	0.667	318	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.0807	0.100	4	109.1192	0.010	6	109.3267	0.366	127	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.1960	0.011	2	109.1192	0.010	6	109.3267	0.366	127	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,1|S<4>,4|C<4>}	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.0310	0.004	2	109.3884	0.352	5	109.3267	0.366	127	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.9600	0.128	3	109.3884	0.352	5	109.3267	0.366	127	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.7635	0.062	2	108.7635	0.004	2	109.3267	0.366	127	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5,6a]O)(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5,6a]O)(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,4|C<3>}	C[6](C[6]C[5,6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.4840	0.013	2	109.4840	0.000	2	109.3267	0.366	127	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6a]C[6a]N[5])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6,6a]S)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6a]C[6a]N[5])(C[6]N[6]HH)(H)2{1|O<2>,1|S<4>,5|C<3>}	C[6](C[6]C[5,6]HH)(N[6]C[6,6a]S)(H)2{1|N<3>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.8770	0.007	2	109.8770	0.000	2	109.3267	0.366	127	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]HH)(H)2{1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.5862	0.304	4	108.5862	0.092	4	109.3267	0.366	127	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[5,6]S)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2{1|S<4>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[5,6]S)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.4075	0.008	2	109.4075	0.000	2	109.3267	0.366	127	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|N<2>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.0265	0.026	2	109.2927	0.156	6	109.3267	0.366	127	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.0500	0.013	2	109.2927	0.156	6	109.3267	0.366	127	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.8015	0.046	2	109.2927	0.156	6	109.3267	0.366	127	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.0095	0.012	2	108.9365	0.009	4	109.3267	0.366	127	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2{1|N<3>,1|S<4>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.8635	0.067	2	108.9365	0.009	4	109.3267	0.366	127	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.1520	0.004	2	109.1520	0.000	2	109.3267	0.366	127	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(H)2{1|H<1>,2|S<4>,3|C<4>}	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.0195	0.016	2	110.0195	0.000	2	109.3267	0.366	127	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[5,6]S)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(H)2{1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[5,6]S)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.5385	0.005	2	109.5385	0.000	2	109.3267	0.366	127	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.3870	1.006	2	109.2065	1.719	4	109.3267	0.366	127	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.0260	1.208	2	109.2065	1.719	4	109.3267	0.366	127	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.5485	0.013	2	109.5485	0.000	2	109.3267	0.366	127	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0687	0.095	4	109.0836	0.022	8	109.3267	0.366	127	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.2750	0.008	2	109.0836	0.022	8	109.3267	0.366	127	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2{2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.9220	0.054	2	109.0836	0.022	8	109.3267	0.366	127	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|N<3>,4|C<3>}	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5,6]C[6]H)	109.1253	0.026	3	109.1253	0.001	3	109.3267	0.366	127	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|N<2>,3|C<3>}	C[6](C[6]C[5,6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	109.5645	0.028	2	109.5645	0.001	2	109.3267	0.366	127	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6,6a]S)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,5|C<3>}	C[6](C[6]C[5,6]HH)(N[6]C[6,6a]S)(H)2{4|C<3>}	H(C[6]C[5,6]C[6]H)	109.3760	0.048	2	109.3760	0.002	2	109.3267	0.366	127	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2990	0.173	8	109.3397	1.543	16	109.3267	0.366	127	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3804	1.809	8	109.3397	1.543	16	109.3267	0.366	127	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2645	0.037	2	109.2645	0.001	2	109.3267	0.366	127	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.4105	0.013	2	109.4105	0.000	2	109.3267	0.366	127	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.8350	0.038	2	109.4712	0.034	37	109.3267	0.366	127	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.4637	0.186	23	109.4712	0.034	37	109.3267	0.366	127	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.3170	0.089	4	109.4712	0.034	37	109.3267	0.366	127	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.5830	0.041	2	109.4712	0.034	37	109.3267	0.366	127	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<2>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.5150	0.027	2	109.4712	0.034	37	109.3267	0.366	127	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.4093	0.063	4	109.4712	0.034	37	109.3267	0.366	127	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]P[6])(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{1|P<4>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(N[6]C[6]P[6])(H)2{1|C<4>,1|N<3>,2|H<1>,2|N<2>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.3666	0.188	8	109.3666	0.035	8	109.3267	0.366	127	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,4|C<4>}	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.2525	2.546	2	109.2525	6.484	2	109.3267	0.366	127	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[5x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5x6]C[4x6]2C[6,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5x6]HH)(C[6]C[6,6]H)(H)2	H(C[6]C[5x6]C[6]H)	C[6](C[5x6]C[4x6]2C[6,6])(C[6]C[6]HH)(H)2{3|H<1>,3|O<2>,4|C<4>}	C[6](C[6]C[5x6]HH)(C[6]C[6,6]H)(H)2{1|H<1>,4|C<4>}	H(C[6]C[5x6]C[6]H)	110.9825	0.861	2	110.9825	0.741	2	110.9825	0.741	2	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:Br-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(Br)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(H)2{1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(Br)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9950	0.036	3	108.9950	0.001	3	108.9950	0.001	3	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]ClH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(Cl)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]ClH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(Cl)(H){5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8700	0.000	1	108.8700	0.000	1	108.8700	0.000	1	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.5830	0.045	2	108.5830	0.002	2	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2740	0.048	2	109.2740	0.002	2	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2412	0.071	6	109.2510	0.012	8	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2805	0.240	2	109.2510	0.012	8	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[3,6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[3,6]O)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.7445	0.067	2	108.7467	0.381	6	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[3,6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[3,6]O)(H)2{1|C<3>,1|S<4>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.4350	0.081	2	108.7467	0.381	6	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[3,6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[3,6]O)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.0605	0.063	2	108.7467	0.381	6	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9613	0.076	6	108.9613	0.006	6	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0230	0.013	2	108.9725	0.005	4	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9220	0.071	2	108.9725	0.005	4	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8925	0.015	2	108.8925	0.000	2	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.3865	0.026	2	109.3148	0.009	4	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.2430	0.079	2	109.3148	0.009	4	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2{3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1745	0.040	2	109.1745	0.002	2	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0590	1.800	2	109.4677	0.777	6	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.6720	0.217	4	109.4677	0.777	6	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.5430	0.013	2	109.1537	0.326	12	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.3980	0.020	2	109.1537	0.326	12	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|O<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1183	0.884	4	109.1537	0.326	12	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8723	0.408	4	109.1537	0.326	12	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2137	0.057	3	109.2137	0.003	3	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]O)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.8920	0.007	2	109.8920	0.000	2	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|S<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2212	0.080	4	109.2212	0.006	4	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[4,6,6]O[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[4,6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4,6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[4,6]O)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3343	0.072	6	109.3343	0.005	6	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.3890	0.007	2	109.1753	0.078	38	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2189	0.212	36	109.1753	0.078	38	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.9935	0.029	2	109.9935	0.001	2	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3595	0.043	2	109.3595	0.002	2	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0427	0.032	6	109.0427	0.001	6	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1265	0.019	2	109.1265	0.000	2	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.2670	0.035	2	108.2670	0.001	2	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.5850	0.034	2	108.5850	0.001	2	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.2670	0.006	4	108.6095	0.282	6	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2{4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2945	0.050	2	108.6095	0.282	6	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8390	0.006	2	108.8390	0.000	2	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2{3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0558	0.049	4	109.0558	0.002	4	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7250	0.018	2	108.8875	0.025	6	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8600	0.004	2	108.8875	0.025	6	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0775	0.005	2	108.8875	0.025	6	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.8785	0.025	2	109.2452	0.335	5	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.8230	0.032	3	109.2452	0.335	5	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[5,6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.9430	0.023	2	109.9430	0.001	2	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.3663	0.033	3	109.5430	0.086	7	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.9715	0.008	2	109.5430	0.086	7	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.3795	0.013	2	109.5430	0.086	7	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.5880	0.008	2	109.5880	0.000	2	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6,6]C[6]H)	109.4135	0.012	2	109.4135	0.000	2	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1083	0.162	12	109.1083	0.026	12	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0810	0.006	2	108.6720	0.936	25	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.0042	0.054	4	108.6720	0.936	25	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1150	0.119	4	108.6720	0.936	25	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	105.5505	0.009	2	108.6720	0.936	25	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8173	0.416	4	108.6720	0.936	25	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2390	0.000	1	108.6720	0.936	25	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	108.5340	0.025	2	108.6720	0.936	25	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.0435	0.005	2	108.6720	0.936	25	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8490	0.046	4	108.6720	0.936	25	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.2565	0.009	2	109.2565	0.000	2	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.5767	0.074	3	109.5767	0.006	3	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0110	2.092	2	109.2762	0.471	11	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3351	0.143	9	109.2762	0.471	11	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[5a,6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[5a,6]O)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.2930	0.108	4	109.2930	0.012	4	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[5a,6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6,6]HH)(C[6]N[5a,6]O)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6,6]C[6]H)	110.0405	0.025	2	110.0405	0.001	2	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.3415	0.019	2	109.3415	0.000	2	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.6065	0.080	4	109.6065	0.006	4	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.6087	0.109	3	109.6087	0.012	3	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<2>,1|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.9363	0.062	4	108.9363	0.004	4	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]Cl)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]Cl)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1850	0.000	1	109.1850	0.000	1	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.5810	0.042	2	108.8530	0.037	9	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9307	0.133	7	108.8530	0.037	9	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.8403	0.233	6	108.9532	0.053	20	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0810	0.135	6	108.9532	0.053	20	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.7630	0.023	4	108.9532	0.053	20	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.3475	0.021	2	108.9532	0.053	20	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8945	0.018	2	108.9532	0.053	20	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.8706	0.290	127	108.8902	0.917	319	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.9008	0.026	4	108.8902	0.917	319	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0062	0.193	12	108.8902	0.917	319	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|Cl<1>,1|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.0205	0.028	2	108.8902	0.917	319	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9321	0.174	30	108.8902	0.917	319	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	106.9630	6.742	2	108.8902	0.917	319	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.0555	0.039	2	108.8902	0.917	319	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.8273	0.182	27	108.8902	0.917	319	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	113.5750	5.780	2	108.8902	0.917	319	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7790	0.000	1	108.8902	0.917	319	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2450	0.000	1	108.8902	0.917	319	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0255	0.011	2	108.8902	0.917	319	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|Cl<1>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8757	0.109	3	108.8902	0.917	319	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9315	0.036	4	108.8902	0.917	319	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0722	0.114	4	108.8902	0.917	319	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7107	1.803	45	108.8902	0.917	319	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9314	0.257	51	108.8902	0.917	319	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	107.5795	0.107	2	107.5795	0.011	2	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.5345	0.025	4	109.5867	0.050	40	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.6404	0.043	8	109.5867	0.050	40	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.4665	0.173	16	109.5867	0.050	40	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	110.3075	0.088	2	109.5867	0.050	40	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.5717	0.033	4	109.5867	0.050	40	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|C<3>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.5708	0.113	4	109.5867	0.050	40	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.7790	0.188	2	109.5867	0.050	40	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.6375	0.008	2	109.6375	0.000	2	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|N<2>,6|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2760	0.000	1	109.2760	0.000	1	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.7042	1.049	29	108.8086	1.017	49	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.2373	0.058	4	108.8086	1.017	49	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1803	0.300	6	108.8086	1.017	49	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.9020	0.068	2	108.8086	1.017	49	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0390	0.000	1	108.8086	1.017	49	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2550	0.000	1	108.8086	1.017	49	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1240	0.027	2	108.8086	1.017	49	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2055	2.157	4	108.8086	1.017	49	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.4573	0.230	6	109.4573	0.053	6	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	108.8360	0.061	4	108.8360	0.004	4	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6852	0.694	4	108.6587	0.276	10	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7290	0.013	2	108.6587	0.276	10	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.5970	0.582	4	108.6587	0.276	10	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.0340	0.000	1	109.1641	0.004	16	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1674	0.047	11	109.1641	0.004	16	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1875	0.082	4	109.1641	0.004	16	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8240	0.048	2	108.8240	0.002	2	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.1175	0.005	2	108.9770	0.090	84	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1022	0.089	4	108.9770	0.090	84	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8483	0.042	4	108.9770	0.090	84	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|N<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7335	0.065	4	108.9770	0.090	84	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7350	0.000	1	108.9770	0.090	84	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0339	0.127	15	108.9770	0.090	84	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.2798	0.099	5	108.9770	0.090	84	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9345	0.037	4	108.9770	0.090	84	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.7745	0.022	2	108.9770	0.090	84	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9965	0.033	2	108.9770	0.090	84	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	108.5725	0.554	6	108.9770	0.090	84	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	108.9555	0.033	2	108.9770	0.090	84	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2893	0.102	3	108.9770	0.090	84	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.0700	0.054	2	108.9770	0.090	84	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<2>,1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.5285	0.043	2	108.9770	0.090	84	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8495	0.054	2	108.9770	0.090	84	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6,6]C[6]H)	109.2495	0.052	2	108.9770	0.090	84	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,2|O<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9320	0.011	2	108.9770	0.090	84	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,2|O<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.4097	0.090	3	108.9770	0.090	84	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.4505	0.022	2	108.9770	0.090	84	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2500	0.015	3	108.9770	0.090	84	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.7535	0.030	2	108.9770	0.090	84	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9355	0.006	2	108.9770	0.090	84	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0240	0.333	4	108.9770	0.090	84	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.5860	0.081	4	108.9770	0.090	84	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|Cr<9>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8600	0.049	2	108.8600	0.002	2	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9055	0.013	2	108.9055	0.000	2	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.4465	0.009	2	108.5052	0.070	5	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|O<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.5443	0.366	3	108.5052	0.070	5	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9375	0.013	2	109.3794	0.142	64	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.5913	0.047	3	109.3794	0.142	64	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0505	0.015	2	109.3794	0.142	64	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2240	0.000	1	109.3794	0.142	64	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3950	0.000	1	109.3794	0.142	64	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2545	0.006	2	109.3794	0.142	64	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.4806	0.396	17	109.3794	0.142	64	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9615	0.091	2	109.3794	0.142	64	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.5190	0.923	6	109.3794	0.142	64	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.4477	0.019	4	109.3794	0.142	64	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.4357	0.191	6	109.3794	0.142	64	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3547	0.073	4	109.3794	0.142	64	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1950	0.000	1	109.3794	0.142	64	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.4248	0.123	9	109.3794	0.142	64	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<3>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0883	0.045	4	109.3794	0.142	64	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.2825	3.464	2	109.2487	0.906	37	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.5893	0.156	6	109.2487	0.906	37	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.6440	0.000	1	109.2487	0.906	37	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1481	0.914	20	109.2487	0.906	37	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.4377	0.017	3	109.2487	0.906	37	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.9330	0.000	1	109.2487	0.906	37	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.8365	0.006	2	109.2487	0.906	37	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.7880	0.008	2	109.2487	0.906	37	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2100	0.000	1	109.2441	0.272	43	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2205	0.013	2	109.2441	0.272	43	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2440	0.777	6	109.2441	0.272	43	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.1012	0.158	4	109.2441	0.272	43	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9535	0.036	2	109.2441	0.272	43	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|O<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2373	0.043	4	109.2441	0.272	43	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1960	0.058	2	109.2441	0.272	43	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1090	0.021	2	109.2441	0.272	43	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1446	0.205	10	109.2441	0.272	43	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.3782	0.041	4	109.2441	0.272	43	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|O<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5920	1.163	6	109.2441	0.272	43	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]N)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]N)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9065	0.018	2	108.9065	0.000	2	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.5680	0.017	2	109.5600	0.129	6	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.5560	0.463	4	109.5600	0.129	6	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]S)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<1>,2|N<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]S)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.8650	0.031	3	109.8650	0.001	3	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6,6]C[6]H)	109.5770	0.034	2	109.5770	0.001	2	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.4968	0.155	4	109.3447	0.049	7	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1420	0.050	3	109.3447	0.049	7	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.0985	0.028	2	109.0985	0.001	2	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	108.2905	0.011	2	108.2905	0.000	2	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]S)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]S)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.1970	0.112	2	109.1970	0.012	2	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.3445	0.043	2	109.3585	0.001	6	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.3480	0.051	2	109.3585	0.001	6	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|Cl<1>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6,6]C[6]H)	109.3830	0.024	2	109.3585	0.001	6	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	110.3162	1.512	4	109.6005	2.758	6	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|O<1>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.1690	0.884	2	109.6005	2.758	6	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1852	0.245	6	109.1852	0.060	6	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.4925	0.054	2	109.4925	0.003	2	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	110.1235	0.018	2	110.1235	0.000	2	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6740	1.677	4	108.6740	2.811	4	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2510	0.162	6	109.2510	0.026	6	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8143	0.244	6	108.8603	0.051	8	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.9980	0.078	2	108.8603	0.051	8	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.2000	0.023	2	109.2000	0.001	2	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[5]C[6])(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[5]C[6])(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.5040	1.425	4	109.5040	2.029	4	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.9950	0.300	4	109.4737	3.310	6	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{4|C<4>}	H(C[6]C[6,6]C[6]H)	110.4310	3.678	2	109.4737	3.310	6	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.9257	0.050	4	108.6717	0.289	10	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.2315	0.032	2	108.6717	0.289	10	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.1377	0.436	4	108.6717	0.289	10	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.0560	0.000	1	108.3827	0.682	3	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2{3|C<4>}	H(C[6]C[6,6]C[6]H)	108.0460	0.827	2	108.3827	0.682	3	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|C<3>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.4915	0.028	2	109.4915	0.001	2	109.0628	0.563	1042	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]N[6]HH)(H)2{1|N<2>,1|N<3>,4|C<4>}	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0270	0.011	2	109.0270	0.000	2	109.2343	0.827	110	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.7862	0.092	4	109.4657	0.252	6	109.2343	0.827	110	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8245	0.045	2	109.4657	0.252	6	109.2343	0.827	110	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]N[6]HH)(H)2{2|O<2>,5|C<4>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	107.7645	1.388	2	107.7645	1.927	2	109.2343	0.827	110	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.0125	5.123	2	108.0125	26.245	2	109.2343	0.827	110	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6]N[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6]N[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0447	0.169	3	109.0371	0.039	17	109.2343	0.827	110	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6]N[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6]N[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0355	0.209	14	109.0371	0.039	17	109.2343	0.827	110	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.7510	0.000	1	108.7510	0.000	1	109.2343	0.827	110	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,1|O<1>,4|C<3>}	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0685	0.185	2	108.5815	0.277	6	109.2343	0.827	110	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.3380	0.461	4	108.5815	0.277	6	109.2343	0.827	110	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6,6]S)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6,6]S)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8900	0.029	4	108.8900	0.001	4	109.2343	0.827	110	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	110.2530	0.028	2	110.0861	0.989	17	109.2343	0.827	110	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.5250	1.189	2	110.0861	0.989	17	109.2343	0.827	110	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.2222	0.908	6	110.0861	0.989	17	109.2343	0.827	110	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	110.9393	0.062	7	110.0861	0.989	17	109.2343	0.827	110	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.5560	0.069	2	109.5560	0.005	2	109.2343	0.827	110	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3900	0.000	1	109.6987	0.076	3	109.2343	0.827	110	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.8530	0.099	2	109.6987	0.076	3	109.2343	0.827	110	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]S[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]S[6]C)(H)2{1|H<1>,2|C<4>,2|O<1>}	H(C[6]C[6,6]C[6]H)	108.6640	0.137	4	108.6640	0.019	4	109.2343	0.827	110	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6030	0.018	2	108.6030	0.000	2	109.2343	0.827	110	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.6610	0.104	4	109.6610	0.011	4	109.2343	0.827	110	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.9730	0.068	2	109.9730	0.005	2	109.2343	0.827	110	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,3|C<4>}	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1020	0.035	3	109.1020	0.001	3	109.2343	0.827	110	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C[6a])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.0865	0.380	2	109.0865	0.144	2	109.2343	0.827	110	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3510	0.007	2	109.8320	0.309	4	109.2343	0.827	110	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]HH)(H)2{1|S<4>,4|C<3>}	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	110.3130	0.014	2	109.8320	0.309	4	109.2343	0.827	110	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]N[6]HH)(H)2{2|C<4>,4|C<3>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0995	0.055	6	109.0995	0.003	6	109.2343	0.827	110	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1307	0.021	3	109.1307	0.000	3	109.2343	0.827	110	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(H)2{1|N<2>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.6255	0.060	2	109.6255	0.004	2	109.2343	0.827	110	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2S[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2S[6])(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(H)2{1|N<2>,1|S<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.0810	1.175	8	109.0810	1.381	8	109.2343	0.827	110	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9133	0.038	4	108.9133	0.001	4	109.2343	0.827	110	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]N[6]HH)(H)2{1|N<3>,1|S<4>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8667	0.086	4	108.8667	0.007	4	109.2343	0.827	110	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-3:Br-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]BrH)(C[6]C[6]BrH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(Br)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[5,6]BrH)(C[6]C[6]BrH)(Br)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]BrH)(C[6]C[6]H)(Br)(H){1|Br<1>,1|C<4>,2|H<1>}	H(C[6]C[6]2Br)	108.1175	0.315	2	108.1175	0.099	2	108.3543	0.218	3	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-3:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)2(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(Br)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6]BrH)2(Br)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]H)(Br)(H){1|Br<1>,1|C<4>,2|H<1>}	H(C[6]C[6]2Br)	108.8280	0.000	1	108.8280	0.000	1	108.3543	0.218	3	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]H)(H)2{4|C<4>}	H(C[6]C[6]2Br)	107.8370	0.000	1	107.8370	0.000	1	107.8370	0.000	1	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-3:H-1:O-1:	C[6]-4:	C[6](C[6]C[6]HO)2(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(H)(O)	H(C[6]C[6]2Br)	C[6](C[6]C[6]HO)2(Br)(H){1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]H)(H)(O){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2Br)	111.1090	0.000	1	111.1090	0.000	1	111.1090	0.000	1	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]HH)(Br)(H){1|C<4>,1|S<4>,4|C<3>}	C[6](C[6]C[6]BrH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2Br)	108.8200	0.000	2	108.8200	0.000	2	108.8200	0.000	2	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]H)(Cl)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(Cl)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]H)(Cl)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2Cl)	108.0640	0.000	1	108.0640	0.000	1	108.6490	0.684	2	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]ClH)(C[6]C[6]ClH)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[5,6]C)(Cl)(H)	H(C[6]C[6]2Cl)	C[6](C[6]N[5,6]ClH)(C[6]C[6]ClH)(Cl)(H){3|C<3>}	C[6](C[6]C[6]ClH)(C[6]C[5,6]C)(Cl)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2Cl)	109.2340	0.000	1	109.2340	0.000	1	108.6490	0.684	2	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]N)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(Cl)(H){1|C<4>,1|H<1>,1|N<3>,1|W<7>,2|C<3>}	C[6](C[6]C[6]ClH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,1|W<7>,2|H<1>}	H(C[6]C[6]2Cl)	107.4240	0.000	1	107.4240	0.000	1	107.4240	0.000	1	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(Cl)(H)	C[6](C[6]C[6]ClH)(N[6]C[6]S)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]ClH)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2Cl)	108.6880	0.000	1	108.6880	0.000	1	108.6880	0.000	1	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]N[6]HH)(F)(H)	C[6](C[6]C[6]FH)(N[6]C[6]C)(H)2	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)(C[6]N[6]HH)(F)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]FH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|F<1>,2|H<1>}	H(C[6]C[6]2F)	109.7840	0.424	2	109.7840	0.180	2	109.5182	0.111	5	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)(H)	C[6](C[6]C[6]FH)(N[6]C[6]H)(H)2	H(C[6]C[6]2F)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]FH)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2F)	109.4630	0.000	1	109.4630	0.000	1	109.5182	0.111	5	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(F)(H)	C[6](C[6]C[6]FH)(N[6]C[6]C)(H)2	H(C[6]C[6]2F)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(F)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]FH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2F)	109.2800	0.085	2	109.2800	0.007	2	109.5182	0.111	5	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:B[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(B[6]N[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6](C[6]C[6]HH)(B[6]N[6]N)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6640	3.316	2	109.6640	10.998	2	109.6640	10.998	2	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(Cl)(H){1|Cl<1>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1845	0.033	2	109.1845	0.001	2	109.1845	0.001	2	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(F)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(F)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5410	0.016	2	109.5410	0.000	2	109.5410	0.000	2	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{4|C<4>}	H(C[6]C[6]2H)	109.2150	0.025	2	109.2150	0.001	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<2>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4940	0.018	2	109.4264	0.270	17	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.6521	0.209	9	109.4264	0.270	17	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0652	0.737	6	109.4264	0.270	17	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5977	0.252	10	109.5977	0.064	10	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.3894	0.102	12	109.4350	0.012	32	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2690	0.000	1	109.4350	0.012	32	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5720	0.067	4	109.4350	0.012	32	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4525	0.008	2	109.4350	0.012	32	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3360	0.000	1	109.4350	0.012	32	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4562	0.068	4	109.4350	0.012	32	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4529	0.120	8	109.4350	0.012	32	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.1085	0.079	6	109.1085	0.006	6	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.3530	0.020	2	109.3530	0.000	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,3|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|P<4>,3|C<4>}	H(C[6]C[6]2H)	108.6025	0.013	2	108.6025	0.000	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5415	0.009	2	109.5415	0.000	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4330	0.293	2	109.4330	0.086	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|W<7>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|W<7>,2|H<1>}	H(C[6]C[6]2H)	109.1300	0.010	2	109.1300	0.000	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.9655	0.036	2	109.1858	0.080	6	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.2960	0.289	4	109.1858	0.080	6	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2825	0.011	2	109.2825	0.000	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|Cl<1>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7400	1.138	2	108.7400	1.296	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0980	0.000	1	109.0980	0.000	1	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.0545	4.458	2	109.1704	1.442	17	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,1|S<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3197	0.184	12	109.1704	1.442	17	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3170	0.040	3	109.1704	1.442	17	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8712	0.152	5	109.8712	0.023	5	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.5460	0.047	2	109.5460	0.002	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	108.9710	0.004	2	108.9710	0.000	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.0655	2.198	2	108.5820	1.967	4	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0985	0.012	2	108.5820	1.967	4	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.9234	0.975	24	107.9234	0.951	24	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]BrC)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	111.6058	1.499	4	111.6058	2.246	4	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|Br<1>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5720	0.047	2	109.5720	0.002	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{1|Br<1>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	109.6877	0.297	4	109.6877	0.088	4	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	108.5868	0.534	4	109.4355	2.080	14	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.3655	0.008	2	109.4355	2.080	14	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{4|C<4>}	H(C[6]C[6]2H)	112.6925	0.747	2	109.4355	2.080	14	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8930	0.067	4	109.4355	2.080	14	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.0310	0.014	2	109.4355	2.080	14	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.2410	0.286	2	109.2300	0.556	25	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.0581	0.037	8	109.2300	0.556	25	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.4245	1.051	12	109.2300	0.556	25	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{4|C<4>}	H(C[6]C[6]2H)	108.9030	0.213	3	109.2300	0.556	25	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	108.7620	0.000	1	109.4310	0.481	3	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.7655	0.540	2	109.4310	0.481	3	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0535	0.432	4	109.2635	0.851	12	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.4215	0.070	2	109.2635	0.851	12	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.2275	0.032	2	109.2635	0.851	12	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.7460	0.030	2	109.2635	0.851	12	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	111.0790	0.266	2	109.2635	0.851	12	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{3|C<4>}	H(C[6]C[6]2H)	108.7365	0.016	2	108.7365	0.000	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0790	0.000	1	109.3305	0.494	49	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3035	0.023	2	109.3305	0.494	49	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2800	0.013	2	109.3305	0.494	49	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4997	0.110	11	109.3305	0.494	49	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6082	0.167	4	109.3305	0.494	49	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.2820	0.000	1	109.3305	0.494	49	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	108.1965	0.005	2	109.3305	0.494	49	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.5528	1.428	4	109.3305	0.494	49	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.5530	0.008	2	109.3305	0.494	49	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3620	0.144	9	109.3305	0.494	49	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4880	0.000	1	109.3305	0.494	49	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.0945	1.708	2	109.3305	0.494	49	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4035	0.013	2	109.3305	0.494	49	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4442	0.036	4	109.3305	0.494	49	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.2540	0.020	2	109.3305	0.494	49	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.0305	0.059	2	108.9247	1.108	15	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	105.5870	0.000	1	108.9247	1.108	15	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1865	0.246	4	108.9247	1.108	15	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4480	0.031	2	108.9247	1.108	15	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5690	0.064	2	108.9247	1.108	15	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5665	0.021	2	108.9247	1.108	15	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.1550	0.059	2	108.9247	1.108	15	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0285	0.268	11	109.2168	1.263	13	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<2>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	110.2530	3.451	2	109.2168	1.263	13	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6175	0.023	4	109.0794	0.155	52	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2490	0.066	2	109.0794	0.155	52	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	108.5980	0.033	2	109.0794	0.155	52	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3057	0.076	3	109.0794	0.155	52	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1657	0.089	15	109.0794	0.155	52	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0549	0.590	16	109.0794	0.155	52	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3755	0.008	2	109.0794	0.155	52	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4623	0.031	3	109.0794	0.155	52	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0567	0.019	3	109.0794	0.155	52	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.6870	0.025	2	109.0794	0.155	52	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.8210	0.027	2	109.8210	0.001	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	110.0555	0.094	2	110.0555	0.009	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.8445	0.030	2	109.9660	0.084	17	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	110.1392	0.095	6	109.9660	0.084	17	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.8776	0.358	9	109.9660	0.084	17	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.4320	0.314	3	109.4320	0.099	3	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	107.9085	1.122	2	107.9592	0.405	10	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	107.9719	0.583	8	107.9592	0.405	10	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	109.9605	0.064	4	109.6007	0.313	6	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2H)	108.8810	0.008	2	109.6007	0.313	6	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	107.9295	1.709	2	108.4485	1.441	4	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	108.9675	0.571	2	108.4485	1.441	4	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.1930	0.037	2	109.1930	0.001	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	110.4825	1.530	4	110.4825	2.341	4	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.9510	0.034	2	108.9510	0.001	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CP)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CP)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|P<4>}	H(C[6]C[6]2H)	108.7915	0.009	2	108.7915	0.000	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|Cl<1>,1|C<3>,1|H<1>}	H(C[6]C[6]2H)	109.2285	0.006	2	109.2285	0.000	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|F<1>,2|H<1>}	H(C[6]C[6]2H)	109.7075	0.025	2	109.7075	0.001	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|Fe<7>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.2145	0.026	2	108.2145	0.001	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.6060	0.038	2	109.5733	0.021	6	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.5570	0.183	4	109.5733	0.021	6	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.1205	2.126	2	108.1205	4.521	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.5945	0.021	2	109.5945	0.000	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	111.4195	1.242	2	114.0047	114.279	6	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|N<3>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>}	H(C[6]C[6]2H)	115.2973	13.538	4	114.0047	114.279	6	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.7857	0.089	7	109.5054	0.052	27	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2805	0.060	2	109.5054	0.052	27	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.2430	0.000	1	109.5054	0.052	27	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.4319	0.176	17	109.5054	0.052	27	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.6170	0.097	6	109.2197	0.679	18	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.6223	1.235	6	109.2197	0.679	18	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.5225	0.354	4	109.2197	0.679	18	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Cl<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|I<1>,1|O<2>}	H(C[6]C[6]2H)	109.2145	0.168	2	109.2197	0.679	18	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.7520	0.000	1	109.5480	0.230	5	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4970	0.538	4	109.5480	0.230	5	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.2555	0.023	2	109.5193	0.134	23	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.8295	0.029	2	109.5193	0.134	23	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.6710	0.024	2	109.5193	0.134	23	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.7500	0.023	2	109.5193	0.134	23	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<1>,1|S<2>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.2580	0.000	1	109.5193	0.134	23	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[6]C[6]2H)	109.5790	0.066	7	109.5193	0.134	23	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<4>,1|O<2>}	H(C[6]C[6]2H)	109.4660	0.027	3	109.5193	0.134	23	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4460	0.010	2	109.5193	0.134	23	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.1655	1.436	2	109.5193	0.134	23	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|H<1>,2|N<3>}	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.7170	0.013	2	109.7170	0.000	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<2>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.6845	0.016	2	109.7574	0.070	14	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.8120	0.017	2	109.7574	0.070	14	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.6475	0.021	2	109.7574	0.070	14	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.7020	0.000	1	109.7574	0.070	14	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<1>,2|N<3>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	110.1010	0.033	4	109.7574	0.070	14	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4033	0.064	3	109.7574	0.070	14	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.9060	0.010	2	109.9060	0.000	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)(C[6]B[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|B<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]B[6]H)(H)2{1|C<4>,1|H<1>,1|P<4>,2|C<3>}	H(C[6]C[6]2H)	109.8610	0.023	2	109.8610	0.001	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[6]C[6]2H)	109.6255	0.105	2	109.6255	0.011	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,1|H<1>,1|O<1>,1|W<7>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|P<4>,1|W<7>,2|H<1>}	H(C[6]C[6]2H)	109.3890	1.581	2	109.3890	2.500	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|S<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|S<3>,3|H<1>}	H(C[6]C[6]2H)	107.0180	6.371	2	107.0180	40.590	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]2H)	109.2020	0.006	2	109.2020	0.000	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]SS)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]SS)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|H<1>,2|C<4>,2|S<4>}	H(C[6]C[6]2H)	109.1295	0.018	2	109.1295	0.000	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]SS)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]SS)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|S<4>}	H(C[6]C[6]2H)	109.1410	0.000	1	109.1410	0.000	1	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Li<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|N<3>,3|C<4>}	H(C[6]C[6]2H)	109.2490	0.000	2	109.2490	0.000	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	109.5725	0.023	2	109.5725	0.001	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CS)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]S)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CS)(H)2{1|C<3>,1|S<2>,1|S<4>}	C[6](C[6]C[6]HH)(C[6]C[6]S)(H)2{1|C<3>,1|H<1>,1|N<3>,1|S<2>}	H(C[6]C[6]2H)	109.4715	0.005	2	109.4715	0.000	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|N<3>,3|H<1>}	H(C[6]C[6]2H)	107.5995	0.367	2	108.5143	1.161	4	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4290	0.024	2	108.5143	1.161	4	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Li<3>,1|Li<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|N<4>,1|O<3>,2|H<1>}	H(C[6]C[6]2H)	109.7040	0.022	4	109.7228	0.001	8	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Li<3>,1|Li<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|N<4>,1|O<3>,2|H<1>}	H(C[6]C[6]2H)	109.7480	0.028	2	109.7228	0.001	8	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Si<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|N<3>,1|O<3>,2|H<1>}	H(C[6]C[6]2H)	109.7350	0.008	2	109.7228	0.001	8	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.0710	0.017	2	109.1285	0.005	4	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.1860	0.040	2	109.1285	0.005	4	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HO)(H)2{1|C<3>,1|N<2>,1|S<4>}	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2{1|H<1>,1|N<3>,1|O<2>}	H(C[6]C[6]2H)	110.5955	1.460	2	110.5955	2.132	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.5830	0.052	2	109.5830	0.003	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8440	0.000	1	109.8440	0.000	1	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CO)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CO)(H)2{1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{1|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.8100	0.013	2	109.8100	0.000	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4310	0.008	2	109.6736	0.024	12	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.6857	0.089	6	109.6736	0.024	12	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.9025	0.030	2	109.6736	0.024	12	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.6510	0.048	2	109.6736	0.024	12	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.5305	0.009	2	109.5773	0.007	3	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.6710	0.000	1	109.5773	0.007	3	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|N<2>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.8135	0.249	4	109.8135	0.062	4	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.5905	0.058	4	109.5905	0.003	4	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]P[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]P[6]CH)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|P<3>}	H(C[6]C[6]2H)	108.7507	0.039	3	108.7507	0.002	3	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]S[6]CC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]S[6]CC)(H)2{2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|S<2>}	H(C[6]C[6]2H)	108.8590	0.000	1	108.8590	0.000	1	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]S[6]HH)(H)2{1|C<2>,1|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	109.1490	1.724	2	109.1490	2.972	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]S[6]HH)(H)2{1|C<4>,3|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|S<4>,4|H<1>}	H(C[6]C[6]2H)	108.7160	0.034	2	108.7160	0.001	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3985	0.886	10	109.2545	0.450	35	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1780	0.302	11	109.2545	0.450	35	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{1|Pt<4>,1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8525	0.497	2	109.2545	0.450	35	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4740	0.031	2	109.2545	0.450	35	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3282	0.924	8	109.2545	0.450	35	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.8430	0.124	2	109.2545	0.450	35	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]Br)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Br<1>,1|C<3>,1|N<2>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3570	0.016	2	109.3570	0.000	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8005	0.077	2	109.3225	0.537	509	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3575	0.380	8	109.3225	0.537	509	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3543	0.055	7	109.3225	0.537	509	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1285	0.009	2	109.3225	0.537	509	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.4655	0.008	2	109.3225	0.537	509	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.0920	0.000	1	109.3225	0.537	509	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.2515	0.012	2	109.3225	0.537	509	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	112.5715	1.183	2	109.3225	0.537	509	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	109.6294	0.089	14	109.3225	0.537	509	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.6784	1.094	12	109.3225	0.537	509	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4717	0.378	3	109.3225	0.537	509	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.2177	0.061	4	109.3225	0.537	509	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9206	1.225	30	109.3225	0.537	509	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3577	0.571	34	109.3225	0.537	509	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4690	0.091	4	109.3225	0.537	509	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1280	0.703	22	109.3225	0.537	509	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8802	0.456	4	109.3225	0.537	509	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3678	0.373	5	109.3225	0.537	509	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5914	0.300	19	109.3225	0.537	509	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8185	0.046	4	109.3225	0.537	509	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.8337	0.055	3	109.3225	0.537	509	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.5722	0.057	4	109.3225	0.537	509	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<2>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3910	0.016	2	109.3225	0.537	509	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3755	0.030	2	109.3225	0.537	509	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	107.6052	0.665	4	109.3225	0.537	509	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.3830	0.000	1	109.3225	0.537	509	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3504	0.335	38	109.3225	0.537	509	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.6326	0.136	10	109.3225	0.537	509	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.5165	0.174	4	109.3225	0.537	509	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4340	0.057	3	109.3225	0.537	509	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.0324	1.578	21	109.3225	0.537	509	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4960	0.054	3	109.3225	0.537	509	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.1756	1.039	8	109.3225	0.537	509	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.1875	0.075	8	109.3225	0.537	509	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.5367	0.247	181	109.3225	0.537	509	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|S<1>,2|H<1>}	H(C[6]C[6]2H)	109.5100	1.055	6	109.3225	0.537	509	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6285	0.051	8	109.3225	0.537	509	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|Cl<1>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1929	0.267	15	109.3225	0.537	509	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|Pd<4>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5823	0.020	3	109.3225	0.537	509	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|Te<3>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9085	0.196	4	109.3225	0.537	509	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4317	0.057	4	109.1229	3.384	240	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5445	0.022	2	109.1229	3.384	240	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7050	0.000	1	109.1229	3.384	240	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.0445	0.022	2	109.1229	3.384	240	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7661	0.595	8	109.1229	3.384	240	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.7245	0.028	2	109.1229	3.384	240	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8406	2.789	27	109.1229	3.384	240	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3908	0.356	6	109.1229	3.384	240	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7806	0.462	7	109.1229	3.384	240	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.8620	0.000	1	109.1229	3.384	240	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	107.0275	1.205	4	109.1229	3.384	240	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.4270	0.526	2	109.1229	3.384	240	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6651	0.138	10	109.1229	3.384	240	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|Br<1>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2156	1.670	8	109.1229	3.384	240	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7585	0.035	2	109.1229	3.384	240	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3366	0.206	10	109.1229	3.384	240	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8375	0.061	6	109.1229	3.384	240	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.9730	2.438	2	109.1229	3.384	240	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3530	0.051	2	109.1229	3.384	240	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<2>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6215	0.045	2	109.1229	3.384	240	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.2231	1.696	34	109.1229	3.384	240	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.2805	0.202	4	109.1229	3.384	240	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7055	0.136	2	109.1229	3.384	240	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9185	1.124	39	109.1229	3.384	240	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2610	0.402	4	109.1229	3.384	240	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.3653	2.709	4	109.1229	3.384	240	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0225	7.123	2	109.1229	3.384	240	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8127	0.788	4	109.1229	3.384	240	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<2>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.6725	1.880	2	109.1229	3.384	240	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	110.1223	4.981	8	109.1229	3.384	240	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.3470	3.219	8	109.1229	3.384	240	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<5>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3930	0.000	1	109.1229	3.384	240	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|F<1>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.5910	0.008	2	109.1229	3.384	240	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7490	0.000	1	109.1229	3.384	240	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Hf<8>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|Hf<8>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.4355	0.008	2	109.1229	3.384	240	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Sn<5>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7960	0.011	2	109.1229	3.384	240	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2243	0.141	3	109.1229	3.384	240	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.6295	0.021	2	109.1229	3.384	240	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4693	0.157	4	109.1229	3.384	240	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|Pt<4>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4745	0.066	2	109.1229	3.384	240	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7015	0.009	2	109.1229	3.384	240	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Br<1>,1|C<3>,1|N<2>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4030	0.021	2	109.1637	2.464	254	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Br<1>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.2615	0.081	2	109.1637	2.464	254	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3347	0.196	4	109.1637	2.464	254	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.2255	0.045	2	109.1637	2.464	254	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<2>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	106.2920	1.353	2	109.1637	2.464	254	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	107.8989	1.337	8	109.1637	2.464	254	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|Br<1>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2895	0.026	2	109.1637	2.464	254	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7270	0.202	6	109.1637	2.464	254	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.1475	1.151	13	109.1637	2.464	254	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6036	0.216	10	109.1637	2.464	254	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.9672	0.783	61	109.1637	2.464	254	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	109.2483	0.022	3	109.1637	2.464	254	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3620	0.023	2	109.1637	2.464	254	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5308	0.124	4	109.1637	2.464	254	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	108.4355	0.122	2	109.1637	2.464	254	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3030	0.018	2	109.1637	2.464	254	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.8480	0.004	2	109.1637	2.464	254	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	109.9016	0.976	8	109.1637	2.464	254	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2376	2.246	101	109.1637	2.464	254	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2770	0.013	2	109.1637	2.464	254	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.8525	0.025	2	109.1637	2.464	254	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3590	0.114	8	109.1637	2.464	254	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|Li<5>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	109.4797	0.127	4	109.1637	2.464	254	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<2>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3795	0.057	2	109.1637	2.464	254	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|B<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3880	0.020	2	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|B<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5252	0.897	10	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6483	0.124	3	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4321	0.231	14	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|Ni<5>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6225	0.084	2	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5725	0.059	4	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3050	0.000	1	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.5215	1.692	2	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3840	2.400	2	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	109.6377	0.081	15	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.7440	1.072	12	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7989	0.499	8	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.8730	0.000	1	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	107.9375	2.661	4	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.1735	2.085	2	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<2>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	111.6310	0.834	2	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|Br<1>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2870	0.013	2	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2432	0.902	5	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.5701	4.908	12	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3977	1.383	64	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.0505	0.020	4	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2783	0.404	7	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<1>,1|S<2>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	107.5225	1.589	2	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4700	0.000	1	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6510	0.028	2	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5605	0.045	4	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6728	0.269	4	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7413	0.023	3	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	106.5938	2.857	4	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2399	1.008	12	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3518	0.108	5	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1790	0.068	2	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1370	0.016	2	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2680	0.007	2	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|F<1>,2|H<1>}	H(C[6]C[6]2H)	109.3900	0.011	2	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.5054	0.081	9	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	109.4133	1.037	14	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.5357	0.056	3	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3676	0.116	10	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5050	0.902	8	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|F<1>,1|P<4>,2|H<1>}	H(C[6]C[6]2H)	109.3912	0.361	4	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	111.8935	0.614	2	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|S<3>,3|H<1>}	H(C[6]C[6]2H)	109.5430	0.008	2	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4576	0.441	5	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.4730	0.018	2	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2754	0.997	24	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5690	0.000	1	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4450	0.112	8	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4064	0.175	79	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1975	1.857	6	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.2925	0.022	2	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4986	0.128	5	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|Pt<4>,1|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.9485	0.042	2	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6628	0.250	4	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4387	0.013	3	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4429	1.484	36	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4010	0.493	3	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3200	0.273	10	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4775	0.037	2	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Ni<5>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|Ni<5>,1|C<5>,3|H<1>}	H(C[6]C[6]2H)	109.9350	0.064	2	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<1>,1|P<4>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3005	0.047	2	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8785	0.006	2	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.1081	1.080	8	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4980	0.034	2	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4420	0.004	2	109.3228	1.539	485	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]P)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]P)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3464	0.191	28	109.3464	0.036	28	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]Pt)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Pt<4>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Pt)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1805	0.006	2	109.1805	0.000	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]S)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<1>,1|S<2>}	C[6](C[6]C[6]HH)(C[6]C[6]S)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	111.1665	0.733	2	111.1665	0.538	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]Se)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Se<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Se)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	107.2767	0.109	4	107.2767	0.012	4	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.6020	0.426	4	109.9784	0.680	10	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7265	0.018	2	109.9784	0.680	10	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2{1|Ir<6>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4808	0.984	4	109.9784	0.680	10	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4723	0.156	4	109.4723	0.024	4	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<2>,2|N<3>}	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2{1|Fe<6>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6070	0.021	4	109.1821	9.390	22	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|N<2>}	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.8714	0.534	7	109.1821	9.390	22	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{3|N<3>}	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2{1|Cu<2>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.3301	5.149	8	109.1821	9.390	22	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{3|N<3>}	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2{1|Fe<6>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2790	0.029	3	109.1821	9.390	22	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5640	0.021	2	109.4952	0.901	104	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4175	0.362	4	109.4952	0.901	104	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1935	0.015	2	109.4952	0.901	104	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6298	0.154	13	109.4952	0.901	104	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<2>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3925	0.340	4	109.4952	0.901	104	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,1|O<1>,1|S<2>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.7447	0.021	3	109.4952	0.901	104	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2790	0.000	1	109.4952	0.901	104	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.8980	0.047	2	109.4952	0.901	104	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8545	1.071	28	109.4952	0.901	104	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.3720	0.036	3	109.4952	0.901	104	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.0019	0.087	10	109.4952	0.901	104	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6922	1.301	25	109.4952	0.901	104	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|Pd<4>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	110.0153	0.020	4	109.4952	0.901	104	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.9397	0.008	3	109.4952	0.901	104	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]S)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,1|O<1>,1|S<2>}	C[6](C[6]C[6]HH)(C[6]N[6]S)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.7123	0.028	3	109.7123	0.001	3	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]H)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5487	0.056	4	109.5487	0.003	4	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7270	0.072	2	109.7415	0.020	11	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8595	0.119	4	109.7415	0.020	11	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5640	0.019	3	109.7415	0.020	11	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7860	0.018	2	109.7415	0.020	11	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]Ru)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Ru<6>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]Ru)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5450	0.078	2	109.5450	0.006	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]P[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|P<3>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]P[6]O)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.8957	0.087	6	108.9234	0.008	12	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]P[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|P<4>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]P[6]O)(H)2{1|C<3>,1|C<4>,1|W<6>,2|H<1>}	H(C[6]C[6]2H)	108.9512	0.093	6	108.9234	0.008	12	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]C)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	110.7886	1.624	8	110.7886	2.638	8	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]F)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]F)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|F<1>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	111.0685	1.842	8	111.0685	3.394	8	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.9029	0.110	7	109.8621	0.029	20	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	109.9090	0.034	2	109.8621	0.029	20	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.8276	0.212	11	109.8621	0.029	20	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	109.8822	0.032	4	109.8822	0.001	4	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]PdH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]PdH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|Pd<5>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	111.9995	3.170	2	111.9995	10.049	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]SiC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]SiC)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|Si<4>,1|C<4>,2|C<3>}	H(C[6]C[6]2H)	108.5285	0.018	2	108.5285	0.000	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|Si<4>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	110.1020	1.515	2	110.1020	2.294	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.8633	0.236	15	108.8633	0.055	15	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9475	0.028	2	108.9475	0.001	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.3600	0.008	2	109.3600	0.000	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3090	0.030	2	109.3090	0.001	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.3490	0.000	1	109.3490	0.000	1	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1733	0.011	3	109.3354	0.077	7	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7400	0.017	2	109.3354	0.077	7	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|S<2>,2|C<3>}	H(C[6]C[6]2H)	109.1740	0.017	2	109.3354	0.077	7	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	110.0020	0.000	1	110.0020	0.000	1	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,5|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	108.1760	0.000	1	108.1760	0.000	1	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]S)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]S)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	109.5238	0.055	8	109.5238	0.003	8	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	109.8215	0.046	2	109.8215	0.002	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.6505	0.032	2	109.6505	0.001	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)2{1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	110.1700	0.167	2	110.1700	0.028	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.3310	0.020	2	109.3310	0.000	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|Si<4>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0780	0.008	2	109.0780	0.000	2	109.3121	1.695	2405	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:I-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)(I)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)(I){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5675	0.030	2	109.5675	0.001	2	109.5675	0.001	2	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:O-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)(O){1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6125	0.795	2	108.6125	0.633	2	108.6125	0.633	2	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:I-1:I-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]II)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(I)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]II)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(I)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5885	0.011	2	109.5885	0.000	2	109.5885	0.000	2	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.1245	0.062	2	109.1245	0.004	2	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.6650	0.525	2	110.6650	0.275	2	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,1|S<4>,3|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.4400	0.028	2	109.4400	0.001	2	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.6150	0.021	2	109.6042	0.000	4	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5935	0.008	2	109.6042	0.000	4	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6017	0.090	3	109.6017	0.008	3	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2175	0.042	2	109.2175	0.002	2	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2{1|Fe<10>,2|H<1>,4|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4632	0.044	5	109.4293	0.084	41	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2{1|Ti<12>,2|H<1>,4|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3509	0.123	8	109.4293	0.084	41	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2{1|V<10>,2|H<1>,4|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3662	0.501	12	109.4293	0.084	41	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2{1|V<11>,2|H<1>,4|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5595	0.078	12	109.4293	0.084	41	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2{1|V<9>,2|H<1>,4|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3430	0.145	4	109.4293	0.084	41	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]C)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]C)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1877	0.020	3	109.1877	0.000	3	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4697	0.183	12	109.3639	0.046	39	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4700	0.124	11	109.3639	0.046	39	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9963	0.103	6	109.3639	0.046	39	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3813	0.086	7	109.3639	0.046	39	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2467	0.013	3	109.3639	0.046	39	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]N)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]N)(C[6]N[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.3007	0.070	4	109.3007	0.005	4	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.8465	0.013	2	109.5978	0.895	10	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.8865	0.080	4	109.5978	0.895	10	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0955	2.618	2	109.5978	0.895	10	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2740	0.085	2	109.5978	0.895	10	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.8880	0.041	6	109.9098	0.003	8	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.9750	0.004	2	109.9098	0.003	8	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.8810	0.000	1	109.2171	0.091	7	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1065	0.079	6	109.2171	0.091	7	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.3710	0.020	2	110.3710	0.000	2	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9180	0.000	1	108.9180	0.000	1	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CF)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CF)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|F<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0312	0.112	4	109.0944	0.013	7	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CF)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CF)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|F<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1787	0.044	3	109.0944	0.013	7	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4366	0.090	7	109.3957	0.025	15	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,2|N<2>,3|H<1>}	H(C[6]C[6]2H)	109.4638	0.170	4	109.3957	0.025	15	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2560	0.184	4	109.3957	0.025	15	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<2>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3980	0.000	1	109.1699	0.405	161	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4025	0.005	2	109.1699	0.405	161	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4573	0.098	7	109.1699	0.405	161	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9945	0.030	2	109.1699	0.405	161	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1709	0.562	112	109.1699	0.405	161	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4820	0.006	2	109.1699	0.405	161	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	106.2270	2.983	2	109.1699	0.405	161	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0016	0.129	5	109.1699	0.405	161	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2998	0.253	28	109.1699	0.405	161	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1804	0.202	35	109.1804	0.041	35	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,1|P<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2218	0.209	12	109.2218	0.044	12	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0520	0.054	2	109.3247	0.034	31	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1805	0.025	2	109.3247	0.034	31	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1550	0.100	4	109.3247	0.034	31	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3620	0.168	11	109.3247	0.034	31	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4453	0.074	4	109.3247	0.034	31	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3045	0.198	4	109.3247	0.034	31	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5000	0.137	4	109.3247	0.034	31	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.0962	0.125	6	109.2114	0.034	11	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<3>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	109.5065	0.025	2	109.2114	0.034	11	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.2450	0.050	3	109.2114	0.034	11	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.3385	0.040	2	109.3385	0.002	2	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.5505	0.023	2	109.2249	0.033	25	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.9615	0.127	4	109.2249	0.033	25	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.2461	0.116	19	109.2249	0.033	25	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3070	0.000	1	109.3070	0.000	1	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7265	0.026	2	109.7616	0.007	17	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|Cl<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7663	0.086	15	109.7616	0.007	17	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.9370	0.023	2	109.8515	0.010	4	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|Cl<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7660	0.014	2	109.8515	0.010	4	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]FF)(C[6]N[6]HH)(H)2{2|C<4>,2|F<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,2|F<1>}	H(C[6]C[6]2H)	109.7420	0.000	1	109.7420	0.000	1	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|F<1>,2|H<1>}	H(C[6]C[6]2H)	109.8940	0.008	2	109.8940	0.000	2	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]B[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]B[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.5820	1.930	2	107.7345	19.833	4	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]B[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]B[6]C)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	106.8870	7.273	2	107.7345	19.833	4	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6]2H)	109.4411	0.215	16	109.3630	0.416	95	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.4014	0.164	15	109.3630	0.416	95	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.9982	1.638	4	109.3630	0.416	95	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.3583	0.219	7	109.3630	0.416	95	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.0433	1.598	8	109.3630	0.416	95	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|N<2>,4|H<1>}	H(C[6]C[6]2H)	109.1473	0.225	7	109.3630	0.416	95	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1270	0.278	4	109.3630	0.416	95	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4134	0.068	7	109.3630	0.416	95	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4255	0.115	15	109.3630	0.416	95	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3118	0.846	12	109.3630	0.416	95	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]Al)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Al<4>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]Al)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5280	0.056	7	109.5280	0.003	7	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]B)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]B)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4000	0.077	4	109.4000	0.006	4	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.9095	0.965	2	109.3422	0.765	1312	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<2>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4206	0.107	20	109.3422	0.765	1312	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.9410	0.045	2	109.3422	0.765	1312	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4590	0.023	2	109.3422	0.765	1312	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3990	0.037	3	109.3422	0.765	1312	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.7860	0.007	2	109.3422	0.765	1312	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<1>,2|H<1>}	H(C[6]C[6]2H)	109.8235	0.011	2	109.3422	0.765	1312	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4640	0.021	2	109.3422	0.765	1312	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.6905	0.019	2	109.3422	0.765	1312	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.0905	0.006	2	109.3422	0.765	1312	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5318	0.123	4	109.3422	0.765	1312	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4952	0.145	18	109.3422	0.765	1312	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5635	0.037	2	109.3422	0.765	1312	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.8015	0.009	2	109.3422	0.765	1312	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3341	0.892	758	109.3422	0.765	1312	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7710	0.504	20	109.3422	0.765	1312	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|I<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.7390	0.018	2	109.3422	0.765	1312	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|S<2>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.9382	0.041	9	109.3422	0.765	1312	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4550	0.010	2	109.3422	0.765	1312	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7210	0.041	2	109.3422	0.765	1312	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	108.7000	0.699	2	109.3422	0.765	1312	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.7040	0.000	1	109.3422	0.765	1312	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<1>,2|H<1>}	H(C[6]C[6]2H)	108.9570	0.037	2	109.3422	0.765	1312	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5075	0.011	2	109.3422	0.765	1312	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	106.9560	0.607	2	109.3422	0.765	1312	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.7370	0.088	4	109.3422	0.765	1312	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.1697	0.647	4	109.3422	0.765	1312	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5093	1.226	6	109.3422	0.765	1312	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Cl<1>,1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5260	0.018	2	109.3422	0.765	1312	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7340	0.021	2	109.3422	0.765	1312	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4650	0.000	1	109.3422	0.765	1312	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.6870	0.013	2	109.3422	0.765	1312	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2138	0.032	4	109.3422	0.765	1312	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.5975	0.008	2	109.3422	0.765	1312	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	109.9952	0.123	4	109.3422	0.765	1312	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2923	0.912	403	109.3422	0.765	1312	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|Si<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8160	0.008	2	109.3422	0.765	1312	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.9879	1.254	9	109.3422	0.765	1312	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.7817	0.097	4	109.1249	1.614	99	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7430	0.000	1	109.1249	1.614	99	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.6669	1.347	29	109.1249	1.614	99	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|F<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2815	0.004	2	109.1249	1.614	99	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|F<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7420	0.042	2	109.1249	1.614	99	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.8020	1.032	4	109.1249	1.614	99	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5135	0.006	2	109.1249	1.614	99	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.6620	2.673	2	109.1249	1.614	99	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6345	0.036	2	109.1249	1.614	99	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3088	0.574	31	109.1249	1.614	99	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5076	0.100	10	109.1249	1.614	99	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|F<1>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.8633	2.748	10	109.1249	1.614	99	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]Ir)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ir<6>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]Ir)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8517	0.376	4	108.8517	0.141	4	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]Mo)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Mo<6>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]Mo)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3245	0.043	4	109.3245	0.002	4	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.6595	0.023	2	109.3372	0.033	54	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.4765	0.049	2	109.3372	0.033	54	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3495	0.136	15	109.3372	0.033	54	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3293	0.187	31	109.3372	0.033	54	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1220	0.081	4	109.3372	0.033	54	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0070	0.143	6	109.0070	0.020	6	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|P<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5132	0.062	4	109.3187	0.228	114	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|P<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2507	0.032	4	109.3187	0.228	114	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|P<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2937	0.514	95	109.3187	0.228	114	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|P<5>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4888	0.210	11	109.3187	0.228	114	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]Re)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Re<6>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]Re)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3539	0.181	11	109.3539	0.033	11	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]Rh)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Rh<8>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]Rh)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.7985	0.005	2	107.7985	0.000	2	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6990	0.006	2	108.8335	2.309	43	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<2>,1|C<4>,1|O<2>,1|S<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4615	0.021	2	108.8335	2.309	43	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.3385	0.028	2	108.8335	2.309	43	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5787	0.059	3	108.8335	2.309	43	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6485	1.746	2	108.8335	2.309	43	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	106.1150	4.738	2	108.8335	2.309	43	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7482	1.384	27	108.8335	2.309	43	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7920	0.661	3	108.8335	2.309	43	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]Si)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Si<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]Si)(H)2{1|C<3>,1|O<3>,2|H<1>}	H(C[6]C[6]2H)	109.7655	0.011	2	109.7655	0.000	2	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]Zn)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Zn<5>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]Zn)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.7135	1.596	4	110.0324	1.623	8	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]Zn)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Zn<6>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]Zn)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3512	0.024	4	110.0324	1.623	8	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]N[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]HH)(N[6]N[6]C)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3820	0.000	1	109.3820	0.000	1	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HI)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HI)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|I<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	105.9360	0.011	2	105.9360	0.000	2	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	109.3197	0.071	4	109.5880	0.083	70	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4878	0.215	23	109.5880	0.083	70	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	110.1345	1.464	2	109.5880	0.083	70	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.7704	0.090	5	109.5880	0.083	70	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.6261	0.185	36	109.5880	0.083	70	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|F<1>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4467	0.061	3	109.4443	0.341	65	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.2545	0.232	30	109.4443	0.341	65	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|H<1>,1|I<1>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.6520	0.654	4	109.4443	0.341	65	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.9660	0.354	2	109.4443	0.341	65	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.7338	0.716	25	109.4443	0.341	65	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.0160	0.000	1	109.4443	0.341	65	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.5618	0.036	8	109.5618	0.001	8	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.1898	0.036	6	109.1171	0.040	10	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.0080	0.304	4	109.1171	0.040	10	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]N[6]HH)(H)2{1|In<4>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4881	0.126	7	109.4881	0.016	7	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.7343	0.187	3	109.7343	0.035	3	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]OO)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]OO)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.1683	0.480	4	109.1683	0.230	4	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]2C[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]2C[6])(C[6]N[6]HH)(H)2{1|S<4>,6|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.2410	0.041	2	109.2410	0.002	2	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.4075	0.053	2	109.4075	0.003	2	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|C<2>,2|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.9110	0.591	2	108.9110	0.349	2	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2450	0.044	4	109.4404	0.049	38	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4129	0.107	7	109.4404	0.049	38	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6300	0.006	2	109.4404	0.049	38	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1830	0.023	2	109.4404	0.049	38	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2460	0.262	2	109.4404	0.049	38	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|H<1>,5|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	108.8950	0.099	2	109.4404	0.049	38	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5741	0.131	17	109.4404	0.049	38	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5995	0.021	2	109.4404	0.049	38	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4980	0.042	4	109.3501	0.029	10	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,3|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4065	0.069	2	109.3501	0.029	10	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1740	0.110	4	109.3501	0.029	10	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.2670	0.203	11	109.2084	0.039	23	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.1547	0.187	12	109.2084	0.039	23	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.8407	1.487	4	108.8407	2.211	4	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]C)(C[6]N[6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.6810	0.000	1	109.6810	0.000	1	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4873	0.155	14	109.4873	0.024	14	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5288	0.232	4	109.5288	0.054	4	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]CC)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]CC)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	109.3213	0.068	7	109.3213	0.005	7	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2{3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1240	0.038	2	109.1240	0.001	2	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.1575	0.045	2	109.1575	0.002	2	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	109.8238	0.071	5	109.8238	0.005	5	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]S[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]HH)(N[6]S[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,2|O<1>}	H(C[6]C[6]2H)	109.2750	0.017	2	109.2750	0.000	2	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]O[6]CC)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.4660	0.132	2	109.4660	0.017	2	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.4920	0.993	2	108.4920	0.986	2	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.6085	1.282	2	110.6085	1.643	2	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.6740	0.028	2	109.6740	0.001	2	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]P[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|P<4>}	C[6](C[6]C[6]HH)(N[6]P[6]C)(H)2{1|O<2>,2|H<1>,2|N<2>}	H(C[6]C[6]2H)	108.9960	0.035	2	108.9960	0.001	2	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]P[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{1|H<1>,1|P<4>}	C[6](C[6]C[6]HH)(N[6]P[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4475	0.022	2	109.4128	0.002	4	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]P[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{1|H<1>,1|P<4>}	C[6](C[6]C[6]HH)(N[6]P[6]H)(H)2{1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.3780	0.011	2	109.4128	0.002	4	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|S<1>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	109.4802	0.023	6	109.4802	0.001	6	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<2>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	108.8370	0.017	2	109.1875	0.101	8	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	109.3043	0.276	6	109.1875	0.101	8	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2{1|C<3>,1|N<3>}	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|S<1>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	109.2285	0.016	2	109.2285	0.000	2	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]Al)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Al<4>,2|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]Al)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	110.1260	0.036	3	110.1260	0.001	3	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Al<4>,2|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	110.0985	0.022	4	109.5569	0.889	380	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<2>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.7857	0.014	3	109.5569	0.889	380	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.4986	0.775	14	109.5569	0.889	380	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.8280	1.254	51	109.5569	0.889	380	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.8910	0.034	2	109.5569	0.889	380	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,3|H<1>}	H(C[6]C[6]2H)	107.8268	1.529	4	109.5569	0.889	380	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.4516	0.752	14	109.5569	0.889	380	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.9905	0.075	4	109.5569	0.889	380	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.5983	0.164	11	109.5569	0.889	380	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	110.1080	0.035	4	109.5569	0.889	380	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|Ir<6>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	110.1333	0.044	3	109.5569	0.889	380	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	110.3077	0.142	14	109.5569	0.889	380	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.8921	0.854	37	109.5569	0.889	380	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.3343	0.965	55	109.5569	0.889	380	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.8691	0.751	22	109.5569	0.889	380	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|Rh<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.8141	0.281	22	109.5569	0.889	380	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|Rh<6>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.8906	0.067	5	109.5569	0.889	380	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|Ru<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.9059	0.115	15	109.5569	0.889	380	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	110.1572	0.088	20	109.5569	0.889	380	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.2206	1.517	8	109.5569	0.889	380	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4503	0.323	6	109.5569	0.889	380	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	110.0713	0.056	7	109.5569	0.889	380	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Cr<7>,1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	110.0230	0.010	2	109.5569	0.889	380	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Cr<8>,1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.8675	0.023	2	109.5569	0.889	380	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Ga<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	110.3040	0.008	2	109.5569	0.889	380	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.7560	0.000	1	109.5569	0.889	380	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Ir<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.9985	0.030	2	109.5569	0.889	380	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Ni<5>,1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.9830	0.029	4	109.5569	0.889	380	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Ni<5>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	108.1450	3.780	4	109.5569	0.889	380	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Ni<6>,1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.0710	0.042	4	109.5569	0.889	380	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Pd<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	110.0560	0.000	1	109.5569	0.889	380	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Pd<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5755	0.008	2	109.5569	0.889	380	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Re<6>,1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.6510	0.011	2	109.5569	0.889	380	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Zn<3>,1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.6280	0.081	2	109.5569	0.889	380	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Zn<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.7810	0.080	3	109.5569	0.889	380	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{3|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.0905	0.015	2	109.5569	0.889	380	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{3|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,1|S<1>,2|H<1>}	H(C[6]C[6]2H)	109.9580	0.018	2	109.5569	0.889	380	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.7658	0.139	15	109.5569	0.889	380	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.4692	0.006	5	109.5569	0.889	380	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]Co)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Co<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]Co)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	110.0010	0.045	2	110.0010	0.002	2	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]Cr)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Cr<7>,1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]Cr)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	110.0430	0.020	2	109.9677	0.008	4	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]Cr)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Cr<8>,1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]Cr)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.8925	0.042	2	109.9677	0.008	4	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]Fe)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]Fe)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.7629	0.178	9	109.7629	0.032	9	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.5647	0.734	16	109.6616	0.678	229	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.8223	1.272	52	109.6616	0.678	229	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.9010	0.030	2	109.6616	0.678	229	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<3>,3|H<1>}	H(C[6]C[6]2H)	107.8598	1.534	4	109.6616	0.678	229	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.4410	0.016	2	109.6616	0.678	229	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{2|H<1>,2|N<2>}	H(C[6]C[6]2H)	109.4810	0.000	1	109.6616	0.678	229	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.5822	0.327	59	109.6616	0.678	229	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.5832	1.181	19	109.6616	0.678	229	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	110.2215	0.436	2	109.6616	0.678	229	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	109.5736	0.539	22	109.6616	0.678	229	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.8447	0.091	23	109.6616	0.678	229	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6838	0.170	6	109.6616	0.678	229	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Co<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.9790	0.038	2	109.6616	0.678	229	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Cu<5>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	110.1285	1.003	2	109.6616	0.678	229	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.7426	0.165	12	109.6616	0.678	229	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.7740	0.045	2	109.6616	0.678	229	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Ni<6>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.4590	0.000	1	109.6616	0.678	229	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.9790	0.008	2	109.6616	0.678	229	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]Ir)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Ir<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]Ir)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	110.0000	0.058	2	110.0000	0.003	2	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<3>,1|N<3>}	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	108.6557	0.791	4	108.6557	0.625	4	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]Ni)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Ni<5>,1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]Ni)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	110.0180	0.032	4	109.5320	0.271	8	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]Ni)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Ni<6>,1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]Ni)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.0460	0.027	4	109.5320	0.271	8	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<2>,1|C<3>,1|P<3>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.7767	1.289	4	109.7338	1.001	6	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<3>,1|C<4>,1|P<4>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.6480	0.018	2	109.7338	1.001	6	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]Pd)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Pd<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]Pd)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.9875	0.045	2	109.4062	0.374	6	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]Pd)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Pd<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]Pd)(H)2{1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5770	0.011	2	109.4062	0.374	6	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]Pd)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Pd<4>,2|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]Pd)(H)2{1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.6540	0.007	2	109.4062	0.374	6	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]Re)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Re<6>,1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]Re)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.5720	0.007	2	109.3391	0.035	12	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]Re)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{2|Re<6>,1|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]Re)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.2925	0.167	10	109.3391	0.035	12	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<4>,2|S<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3725	0.055	4	109.3725	0.003	4	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]Zn)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Zn<3>,1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]Zn)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.6275	0.005	2	109.8127	0.027	8	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]Zn)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Zn<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]Zn)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.8010	0.109	4	109.8127	0.027	8	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]Zn)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]Zn)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	110.0215	0.006	2	109.8127	0.027	8	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]P[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|P<2>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]P[6]C)(H)2{1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.1842	0.053	4	109.3439	0.018	17	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]P[6]C)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|P<4>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]P[6]C)(H)2{1|N<3>,2|H<1>,2|N<2>}	H(C[6]C[6]2H)	109.3931	0.113	13	109.3439	0.018	17	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]P[6]H)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|P<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]P[6]H)(H)2{1|O<1>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.4710	0.000	1	109.4710	0.000	1	109.3818	0.671	3236	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6]Ca)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|Ca<6>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6]Ca)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5273	0.213	62	109.5273	0.046	62	109.3242	1.071	124	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6]Li)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|Li<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6]Li)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4808	0.033	4	108.9688	2.867	43	109.3242	1.071	124	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6]Li)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|Li<4>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6]Li)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9163	1.772	39	108.9688	2.867	43	109.3242	1.071	124	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6]Mo)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|Mo<6>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6]Mo)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4659	0.092	19	109.4659	0.008	19	109.3242	1.071	124	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)(S[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]S[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6]O)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.2117	0.115	4	109.2117	0.013	4	108.8107	1.818	42	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)2(H)2	C[6](C[6]C[6]HH)(S[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)2(H)2{1|C<3>,2|O<1>}	C[6](C[6]C[6]HH)(S[6]C[6]O)(H)2{1|C<3>,1|S<3>,2|H<1>}	H(C[6]C[6]2H)	108.4263	0.038	3	108.7096	1.697	26	108.8107	1.818	42	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)2(H)2	C[6](C[6]C[6]HH)(S[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)2(H)2{1|C<4>,1|O<1>}	C[6](C[6]C[6]HH)(S[6]C[6]O)(H)2{1|C<2>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	108.6365	1.304	8	108.7096	1.697	26	108.8107	1.818	42	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)2(H)2	C[6](C[6]C[6]HH)(S[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)2(H)2{1|C<4>,1|O<1>}	C[6](C[6]C[6]HH)(S[6]C[6]O)(H)2{1|C<3>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	108.1835	0.685	4	108.7096	1.697	26	108.8107	1.818	42	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)2(H)2	C[6](C[6]C[6]HH)(S[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)2(H)2{1|C<4>,1|O<1>}	C[6](C[6]C[6]HH)(S[6]C[6]O)(H)2{1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8425	0.099	4	108.7096	1.697	26	108.8107	1.818	42	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)2(H)2	C[6](C[6]C[6]HH)(S[6]C[6]O)(H)2	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)2(H)2{1|C<4>,2|O<1>}	C[6](C[6]C[6]HH)(S[6]C[6]O)(H)2{1|C<4>,1|S<3>,3|H<1>}	H(C[6]C[6]2H)	109.1393	2.095	7	108.7096	1.697	26	108.8107	1.818	42	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)2(H)2	C[6](C[6]C[6]HH)(S[6]C[6]Pd)(H)2	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)2(H)2{1|Pd<4>,1|C<3>}	C[6](C[6]C[6]HH)(S[6]C[6]Pd)(H)2{1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	108.5198	0.175	4	108.5198	0.031	4	108.8107	1.818	42	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)2(H)2	C[6](C[6]C[6]HH)(S[6]C[6]Rh)(H)2	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)2(H)2{1|Rh<8>,1|C<4>}	C[6](C[6]C[6]HH)(S[6]C[6]Rh)(H)2{1|S<2>,4|H<1>}	H(C[6]C[6]2H)	109.5198	1.282	4	109.0840	4.308	8	108.8107	1.818	42	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)2(H)2	C[6](C[6]C[6]HH)(S[6]C[6]Rh)(H)2	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)2(H)2{2|Rh<8>,1|C<4>}	C[6](C[6]C[6]HH)(S[6]C[6]Rh)(H)2{1|S<3>,4|H<1>}	H(C[6]C[6]2H)	108.6483	2.811	4	109.0840	4.308	8	108.8107	1.818	42	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)(I)	C[6](C[6]C[6]HI)(N[6]C[6]C)(H)2	H(C[6]C[6]2I)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)(I){2|C<4>,2|H<1>}	C[6](C[6]C[6]HI)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2I)	107.9445	0.228	2	107.9445	0.052	2	110.2190	18.914	4	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]CH)(H)(I)	C[6](C[6]C[6]HI)(N[6]C[6]H)(H)2	H(C[6]C[6]2I)	C[6](C[6]N[6]HH)(C[6]O[6]CH)(H)(I){1|C<3>,1|H<1>}	C[6](C[6]C[6]HI)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2I)	112.4935	6.000	2	112.4935	35.998	2	110.2190	18.914	4	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.9890	0.467	7	108.9890	0.218	7	108.9890	0.218	7	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2H)(H)2{3|H<1>,4|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.0007	0.012	3	109.0007	0.000	3	109.5864	0.330	418	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	108.6775	0.131	6	108.9930	0.092	17	109.5864	0.330	418	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.1651	0.217	11	108.9930	0.092	17	109.5864	0.330	418	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{1|C<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.3675	3.029	2	109.3675	9.172	2	109.5864	0.330	418	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4835	0.025	2	109.4835	0.001	2	109.5864	0.330	418	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4811	0.169	64	109.6503	0.425	162	109.5864	0.330	418	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7607	0.810	98	109.6503	0.425	162	109.5864	0.330	418	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4801	0.107	8	109.4936	0.012	16	109.5864	0.330	418	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4947	0.144	4	109.4936	0.012	16	109.5864	0.330	418	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5192	0.113	4	109.4936	0.012	16	109.5864	0.330	418	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CN)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CN)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2800	0.038	3	109.2800	0.001	3	109.5864	0.330	418	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CO)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3375	0.203	4	109.3375	0.041	4	109.5864	0.330	418	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<2>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4338	0.129	4	109.5875	0.043	16	109.5864	0.330	418	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7978	0.142	4	109.5875	0.043	16	109.5864	0.330	418	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7043	0.160	4	109.5875	0.043	16	109.5864	0.330	418	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4142	0.042	4	109.5875	0.043	16	109.5864	0.330	418	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6623	0.150	31	109.6554	0.281	119	109.5864	0.330	418	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5630	0.379	2	109.6554	0.281	119	109.5864	0.330	418	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6550	0.616	86	109.6554	0.281	119	109.5864	0.330	418	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5429	0.335	58	109.5347	0.117	62	109.5864	0.330	418	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.0145	0.032	2	109.5347	0.117	62	109.5864	0.330	418	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8170	0.004	2	109.5347	0.117	62	109.5864	0.330	418	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.9542	1.263	5	109.8723	1.082	7	109.5864	0.330	418	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6675	0.025	2	109.8723	1.082	7	109.5864	0.330	418	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]Zn)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Zn<4>,1|H<1>,2|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]Zn)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6715	0.047	2	109.6715	0.002	2	109.5864	0.330	418	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HV)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HV)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|V<7>,3|H<1>}	H(C[6]C[6]N[6]H)	109.0383	0.059	3	109.0383	0.003	3	109.5864	0.330	418	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:O[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6]In)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2{1|In<6>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6]In)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7735	0.025	2	109.7735	0.001	2	109.7735	0.001	2	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(S[6]C[6]OO)(H)2	C[6](C[6]S[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]N[6]HH)(S[6]C[6]OO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<1>}	H(C[6]C[6]S[6]H)	109.6720	0.025	2	109.6720	0.001	2	109.6720	0.001	2	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	N[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[5,6,6]C[5,6,6]Ge[5,6]H)(C[6]N[6]HH)(H)2	C[6](C[6]N[5,6,6]HH)(N[6]C[6,6]H)(H)2	H(C[6]N[5,6,6]C[6]H)	C[6](N[5,6,6]C[5,6,6]Ge[5,6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[6](C[6]N[5,6,6]HH)(N[6]C[6,6]H)(H)2{1|Ge<3>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]N[5,6,6]C[6]H)	109.4775	0.008	2	109.4775	0.000	2	109.4775	0.000	2	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[5,6]In[5,5,6,6]O[5]C)(C[6]N[6]HH)(H)2	C[6](C[6]N[5,6]HH)(N[6]O[5,6]C)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]In[5,5,6,6]O[5]C)(C[6]N[6]HH)(H)2{1|Ga<4>,1|N<4>,2|C<4>,2|O<3>}	C[6](C[6]N[5,6]HH)(N[6]O[5,6]C)(H)2{1|Ga<4>,1|In<5>,1|C<4>,1|O<2>}	H(C[6]N[5,6]C[6]H)	108.4900	0.548	4	108.4900	0.300	4	108.4900	0.300	4	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]Ru2)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]Ru2)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2{1|Ru<8>,1|Ru<9>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	110.4945	1.920	2	110.4945	3.686	2	110.4945	3.686	2	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]AlC)(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]AlC)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Al<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.1240	0.099	3	108.9924	0.120	14	109.2695	0.128	118	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]AlC)(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]AlC)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Al<5>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.7466	0.157	8	108.9924	0.120	14	109.2695	0.128	118	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]AlC)(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]AlC)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Al<7>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5160	0.054	3	108.9924	0.120	14	109.2695	0.128	118	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]BiC)(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]BiC)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Bi<5>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3073	0.135	24	109.3073	0.018	24	109.2695	0.128	118	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CdH)(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CdH)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|Cd<5>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7840	0.056	4	109.7840	0.003	4	109.2695	0.128	118	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CoC)(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CoC)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Co<6>,1|O<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.1290	0.051	2	109.1290	0.003	2	109.2695	0.128	118	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CoC)(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CoC)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|Co<6>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.0373	0.157	4	109.0373	0.025	4	109.2695	0.128	118	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CuC)(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CuC)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Cu<4>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5775	0.062	4	109.5775	0.004	4	109.2695	0.128	118	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CuH)(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CuH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Cu<4>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.0160	0.165	9	109.0160	0.027	9	109.2695	0.128	118	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Ni<6>,1|O<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.1400	0.064	2	109.1400	0.004	2	109.2695	0.128	118	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]Ni)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]Ni)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.5665	0.112	4	110.5665	0.013	4	109.2695	0.128	118	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]PdC)(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]PdC)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Pd<4>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.9112	0.093	4	108.9112	0.009	4	109.2695	0.128	118	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]PtH)(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]PtH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Pt<4>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.0952	0.160	4	109.0952	0.026	4	109.2695	0.128	118	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]RhH)(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]RhH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|Rh<5>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2322	0.104	4	109.2322	0.011	4	109.2695	0.128	118	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]SbC)(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]SbC)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Sb<4>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2301	0.146	7	109.2732	0.016	27	109.2695	0.128	118	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]SbC)(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]SbC)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Sb<5>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2882	0.117	20	109.2732	0.016	27	109.2695	0.128	118	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]ZnC)(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]ZnC)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Zn<4>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5210	0.095	7	109.5210	0.009	7	109.2695	0.128	118	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]ZnH)(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]ZnH)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|Zn<5>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2160	0.218	3	109.2160	0.048	3	109.2695	0.128	118	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]Ga[6]CO)(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]O[6]C)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]Ga[6]CO)(C[6]N[6]HH)(H)2{1|O<2>,3|C<4>}	C[6](C[6]N[6]HH)(N[6]O[6]C)(H)2{1|Ga<4>,1|C<4>,1|O<2>}	H(C[6]C[6]N[6]H)	108.6805	0.011	2	108.6805	0.000	2	109.2695	0.128	118	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](P[6]C[6a]2O[6])(C[6]C[6]HH)(H)2	C[6](C[6]P[6]HH)(C[6]B[6]C)(H)2	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]2O[6])(C[6]C[6]HH)(H)2{1|B<4>,5|C<3>}	C[6](C[6]P[6]HH)(C[6]B[6]C)(H)2{1|O<2>,4|C<3>}	H(C[6]C[6]P[6]H)	110.3785	0.012	2	110.3785	0.000	2	110.3785	0.000	2	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](P[6]C[6a]C[6]Fe)(C[6]N[6]HH)(H)2	C[6](C[6]P[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]C[6]Fe)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]P[6]HH)(N[6]C[6]C)(H)2{1|Fe<5>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]P[6]H)	109.1681	0.221	35	109.1681	0.049	35	109.1681	0.049	35	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](Si[6]C[6a]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]Si[6]HH)(C[6]C[6]O)(H)2	H(C[6]Si[6]C[6]H)	C[6](Si[6]C[6a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]Si[6]HH)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]Si[6]C[6]H)	109.1810	0.320	4	109.1810	0.102	4	109.2723	0.083	7	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:1:1:	4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]Si[6]HH)(C[6]C[6]O)(H)2	H(C[6]Si[6]C[6]H)	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]Si[6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]Si[6]C[6]H)	109.3940	0.239	3	109.3940	0.057	3	109.2723	0.083	7	109.3192	0.947	8422	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(OH)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(OH)(H){1|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	109.5460	0.017	2	109.5460	0.000	2	109.5460	0.000	2	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]HO)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(OH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[3x6]C[6]H)	108.5145	0.043	2	108.5145	0.002	2	108.5145	0.002	2	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5,6a]O[5])(C[6]C[6a]O[6]H)(H)2	C[6](C[6]C[5,5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5,6a]O[5])(C[6]C[6a]O[6]H)(H)2{4|C<3>,4|C<4>}	C[6](C[6]C[5,5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|Cl<1>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[5,5,6]C[6]H)	109.2400	0.006	2	109.2400	0.000	2	109.2400	0.000	2	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HO)(Br)(H)	C[6](C[6]C[5,6,6]BrH)(C[6]C[6]H)(OH)(H)	H(C[6]C[5,6,6]C[6]Br)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HO)(Br)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6,6]BrH)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[5,6,6]C[6]Br)	107.3790	0.000	1	107.3790	0.000	1	107.3790	0.000	1	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(OC)(H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HO)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(OC)(H){4|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.5725	0.057	4	109.5725	0.003	4	109.4343	0.995	16	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(OH)(H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	109.1845	2.100	4	109.1845	4.411	4	109.4343	0.995	16	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(OSi)(H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(OSi)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	109.2360	1.011	2	109.2360	1.022	2	109.4343	0.995	16	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(OC)(H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(OC)(H){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5,6,6]C[6]H)	109.5747	0.162	6	109.5747	0.026	6	109.4343	0.995	16	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6a]O[6]H)(Br)(H)	C[6](C[6]C[5,6]BrH)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[6]C[5,6]C[6]Br)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6a]O[6]H)(Br)(H){2|C<4>,4|C<3>}	C[6](C[6]C[5,6]BrH)(C[6a]C[6a]2)(O[6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]Br)	107.8180	0.000	1	107.8180	0.000	1	107.8180	0.000	1	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a]O[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a]O[6]H)(H)2{2|C<4>,5|C<3>}	C[6](C[6]C[5,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.5745	0.021	2	109.5745	0.000	2	109.5745	0.000	2	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CN)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CN)(H){1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.8300	0.014	2	109.8300	0.000	2	109.8300	0.000	2	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[4,5,6]O[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[4,5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3585	0.005	2	109.3585	0.000	2	109.9048	1.798	33	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2415	0.006	2	109.2415	0.000	2	109.9048	1.798	33	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HO)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.4755	0.016	2	109.5973	0.128	4	109.9048	1.798	33	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.7190	0.569	2	109.5973	0.128	4	109.9048	1.798	33	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HO)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.4680	0.000	1	109.4680	0.000	1	109.9048	1.798	33	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.6270	0.034	2	108.6270	0.001	2	109.9048	1.798	33	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H){2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1200	0.041	2	109.1200	0.002	2	109.9048	1.798	33	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]HO)(H)2{1|H<1>,1|S<2>,1|S<4>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[5,6]C[6]H)	109.0285	0.062	2	109.0285	0.004	2	109.9048	1.798	33	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0705	0.005	2	109.0705	0.000	2	109.9048	1.798	33	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.5607	0.860	6	110.5607	0.739	6	109.9048	1.798	33	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.8983	0.669	4	110.8983	0.448	4	109.9048	1.798	33	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	113.0030	3.893	2	113.0030	15.158	2	109.9048	1.798	33	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC[6a])(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC[6a])(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.5230	0.044	2	109.5230	0.002	2	109.9048	1.798	33	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.0510	0.000	2	109.0510	0.000	2	109.9048	1.798	33	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]O[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]O[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.2850	0.000	1	109.2850	0.000	1	109.1938	0.052	5	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]O[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]O[6]H)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	108.9490	0.021	2	108.9490	0.000	2	109.1938	0.052	5	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6a]O[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[5,6])(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6a]O[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[5,6])(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.3930	0.025	2	109.3930	0.001	2	109.1938	0.052	5	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:S[6]-2:H-1:	C[6]-4:	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6a]S[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(S[6]C[6])(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6a]S[6]H)(H)2{1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(S[6]C[6])(H){1|C<4>,1|N<3>,1|S<2>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.9030	0.221	4	108.9030	0.049	4	108.9030	0.049	4	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-2:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CN)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CH)(H)2{2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CN)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.1625	0.019	2	109.1625	0.000	2	109.1625	0.000	2	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[6]S[5]2)(C[6]N[6]HO)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]S[5]2)(C[6]N[6]HO)(H)2{1|S<4>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(OC)(H){1|H<1>,2|C<4>,2|S<2>}	H(C[6]C[5,6]C[6]H)	108.5375	0.028	2	108.5375	0.001	2	108.5375	0.001	2	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]O[6]H)(H)(I)	C[6](C[6]C[5,6]HI)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[6]C[5,6]C[6]I)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]O[6]H)(H)(I){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]HI)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]I)	107.8880	0.513	3	107.8880	0.263	3	107.8880	0.263	3	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5a]O[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5a]O[6]H)(H)2{2|O<2>,3|C<3>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	107.9540	0.000	1	107.9540	0.000	1	109.0543	0.123	33	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[5a]O[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[5a]O[6]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1755	0.008	2	109.1755	0.000	2	109.0543	0.123	33	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[5a]O[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6,6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[5a]O[6]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6,6])(H){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2685	0.040	2	109.2685	0.002	2	109.0543	0.123	33	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5a]O[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5a]O[6]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0992	0.135	4	109.0992	0.018	4	109.0543	0.123	33	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9172	0.120	6	109.0018	0.071	20	109.0543	0.123	33	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6]H)(H)2{2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1901	0.210	10	109.0018	0.071	20	109.0543	0.123	33	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6583	0.039	4	109.0018	0.071	20	109.0543	0.123	33	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5a]O[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5a]O[6]H)(H)2{2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.7975	0.141	2	109.7975	0.020	2	109.0543	0.123	33	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]O[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]O[6]H)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9610	0.037	2	108.9610	0.001	2	109.0543	0.123	33	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CN)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CN)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.4410	0.757	2	109.4410	0.572	2	109.4410	0.572	2	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.1270	0.871	2	109.1270	0.759	2	108.8684	1.939	29	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.0925	0.070	2	108.0925	0.005	2	108.8684	1.939	29	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(OC)(H){1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.3140	0.033	2	109.3140	0.001	2	108.8684	1.939	29	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(OC[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(OC[6])(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	107.0480	2.000	2	107.0480	3.999	2	108.8684	1.939	29	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(OH)(H){1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.6975	0.025	2	108.6975	0.001	2	108.8684	1.939	29	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3080	0.010	2	109.3080	0.000	2	108.8684	1.939	29	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H){1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2965	0.016	2	109.2509	0.034	9	108.8684	1.939	29	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H){2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0865	0.054	2	109.2509	0.034	9	108.8684	1.939	29	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H){2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2150	0.006	2	109.2509	0.034	9	108.8684	1.939	29	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,6|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H){1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.6960	0.000	1	109.2509	0.034	9	108.8684	1.939	29	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,6|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1830	0.042	2	109.2509	0.034	9	108.8684	1.939	29	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.9415	0.018	2	109.9415	0.000	2	108.8684	1.939	29	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(H)2{1|H<1>,1|P<4>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	110.1765	0.026	2	110.1765	0.001	2	108.8684	1.939	29	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	106.1710	4.332	2	106.1710	18.764	2	108.8684	1.939	29	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6]C[6]HO)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.0875	0.005	2	109.0875	0.000	2	108.8684	1.939	29	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6a]O[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[5,6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6a]O[6]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[5,6])(H){2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	110.0845	0.015	2	110.0845	0.000	2	109.0731	0.299	19	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6a]O[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6a]O[6]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6225	0.083	2	108.6225	0.007	2	109.0731	0.299	19	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6a]O[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]O[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6a]O[6]H)(H)2{1|O<1>,2|O<2>,4|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]O[6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.2903	0.057	4	109.2903	0.003	4	109.0731	0.299	19	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]O[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]O[6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6])(H){1|Cl<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2840	0.021	2	109.2840	0.000	2	109.0731	0.299	19	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[3x6]H)(C[6]C[6a]O[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[3x6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[3x6]H)(C[6]C[6a]O[6]H)(H)2{1|C<4>,1|O<2>,5|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[3x6])(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2977	0.023	3	109.2977	0.001	3	109.0731	0.299	19	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6a]O[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6a]O[6]H)(H)2{1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8290	0.068	4	108.8290	0.005	4	109.0731	0.299	19	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6a]O[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6a]O[6]H)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.0180	0.048	2	108.0180	0.002	2	109.0731	0.299	19	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HO)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HO)(H)2{1|C<2>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.0220	0.014	2	109.0220	0.000	2	109.0220	0.000	2	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(OH)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6]HO)2(Br)(H){1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2Br)	110.4290	0.000	1	110.4290	0.000	1	110.4290	0.000	1	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(Br)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2Br)	109.3835	0.426	2	109.3835	0.182	2	109.3835	0.182	2	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:N[5]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6]N[5]O[6]H)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(N[5]C[5]2)(O[6]C[6])(H)	H(C[6]C[6]2Br)	C[6](C[6]N[5]O[6]H)(C[6]C[6]HH)(Br)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(N[5]C[5]2)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2Br)	109.2250	0.000	1	109.2250	0.000	1	109.2250	0.000	1	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]C)(OH)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6]HO)2(Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]ClH)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2Cl)	108.5350	0.000	1	108.5350	0.000	1	108.5350	0.000	1	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]N[6]CH)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6a]O[6]H)(C[6]N[6]CH)(Cl)(H){3|C<3>}	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2Cl)	108.8755	0.192	2	108.8755	0.037	2	108.8755	0.037	2	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	103.5300	0.546	2	103.5300	0.298	2	103.5300	0.298	2	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:Ge-2:H-1:	C[6]-4:	C[6](C[6]C[6]GeH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(GeN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]GeH)(C[6]C[6]HH)(H)2{1|Ge<2>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(GeN)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9587	0.068	3	108.9587	0.005	3	108.9587	0.005	3	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a])(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1650	0.048	2	109.1650	0.002	2	109.5022	0.264	6	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(NMn)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(NMn)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.1630	0.075	2	110.1630	0.006	2	109.5022	0.264	6	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(NC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]S[6]HH)(H)2{1|C<4>,1|N<2>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(NC)(H){1|S<4>,2|H<1>}	H(C[6]C[6]2H)	109.1785	0.037	2	109.1785	0.001	2	109.5022	0.264	6	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H){1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.0980	0.041	2	108.0980	0.002	2	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|O<2>,3|C<4>}	H(C[6]C[6]2H)	107.0805	0.013	2	107.0805	0.000	2	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<2>,1|C<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H){1|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.0485	0.132	4	108.9467	0.035	6	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H){1|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.7430	0.010	2	108.9467	0.035	6	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H){1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3977	2.361	3	109.4548	2.795	5	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H){1|H<1>,1|I<1>,2|C<4>}	H(C[6]C[6]2H)	109.5405	0.067	2	109.4548	2.795	5	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<2>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1950	0.011	2	108.9793	2.730	18	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8599	1.877	8	108.9793	2.730	18	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.6520	1.443	4	108.9793	2.730	18	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	107.9435	0.015	2	108.9793	2.730	18	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9320	0.038	2	108.9793	2.730	18	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5580	0.037	2	109.5580	0.001	2	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.1570	0.000	1	109.1570	0.000	1	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H){1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.4410	0.627	11	108.4410	0.393	11	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|O<2>,3|C<4>}	H(C[6]C[6]2H)	107.8790	0.055	2	108.4682	0.464	4	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.0575	0.018	2	108.4682	0.464	4	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CS)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]C)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CS)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]C)(OC)(H){1|C<4>,1|S<4>,2|C<3>}	H(C[6]C[6]2H)	110.3350	0.014	2	110.3350	0.000	2	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2190	0.246	4	109.4372	0.151	6	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8735	0.011	2	109.4372	0.151	6	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6050	0.011	2	109.3269	0.166	9	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2130	0.000	1	109.3269	0.166	9	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2532	0.475	6	109.3269	0.166	9	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6935	0.011	2	109.7480	0.009	3	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OSi)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8570	0.000	1	109.7480	0.009	3	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.8250	0.000	1	107.9360	8.437	5	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.4638	3.125	4	107.9360	8.437	5	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6490	0.033	2	109.6093	0.003	4	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5695	0.021	2	109.6093	0.003	4	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7055	0.013	2	109.7055	0.000	2	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC[6a])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC[6a])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9460	0.013	2	108.9460	0.000	2	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5290	0.013	2	109.5290	0.000	2	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(OFe)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(OFe)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1155	0.074	2	109.1155	0.006	2	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6740	0.027	2	109.5319	0.026	12	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7485	0.008	2	109.5319	0.026	12	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.5415	0.028	4	109.5319	0.026	12	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H){1|C<3>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	109.3430	0.015	4	109.5319	0.026	12	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.1715	0.015	2	110.0820	0.011	4	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(OH)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.9925	0.008	2	110.0820	0.011	4	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]S)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,1|S<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]S)(OC)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7880	0.000	1	109.7880	0.000	1	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]O)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]O)(OC)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7760	0.017	2	109.7760	0.000	2	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]C)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]HS)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]C)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]2H)	110.1390	0.016	2	110.1390	0.000	2	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]Br)(OC[6a])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)2{1|Br<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(OC[6a])(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.1325	0.218	2	109.1325	0.048	2	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6650	0.542	2	109.6650	0.293	2	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4785	0.046	2	109.4785	0.002	2	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]I)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)2{1|C<3>,1|H<1>,1|I<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]I)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.8250	0.020	2	109.8250	0.000	2	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)2{1|C<4>,1|O<2>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.1155	0.573	2	108.1155	0.329	2	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(H)2{1|N<3>,2|C<3>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(OH)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.8265	0.052	2	109.8265	0.003	2	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7680	0.112	3	109.7912	0.008	5	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8260	0.038	2	109.7912	0.008	5	109.1785	1.189	126	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(SC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(SC)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.1230	3.103	2	108.1230	9.627	2	109.4087	3.189	10	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(SC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(SC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0490	0.025	2	109.0490	0.001	2	109.4087	3.189	10	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(SC[6a])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(SC[6a])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.9572	1.656	6	109.9572	2.741	6	109.4087	3.189	10	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]HO)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]HO)(H)2{1|C<4>,1|O<2>,1|S<4>,3|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(OSi)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.4415	0.032	2	109.4415	0.001	2	108.4381	3.491	9	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HO)(H)2	C[6](C[6]C[6]HH)(N[6]N[6]C)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HO)(H)2{1|N<2>,2|C<3>}	C[6](C[6]C[6]HH)(N[6]N[6]C)(OC)(H){1|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6170	0.014	2	109.6170	0.000	2	108.4381	3.491	9	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HO)(H)2	C[6](C[6]C[6]HH)(N[6]N[6]S)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HO)(H)2{1|C<3>,1|N<2>,1|S<4>}	C[6](C[6]C[6]HH)(N[6]N[6]S)(OH)(H){1|C<3>,2|H<1>}	H(C[6]C[6]2H)	107.9615	3.460	2	107.9615	11.971	2	108.4381	3.491	9	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(H)2{1|H<1>,1|S<3>,3|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.2210	0.000	1	107.3010	3.416	3	108.4381	3.491	9	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(OC)(H){1|H<1>,3|C<3>}	H(C[6]C[6]2H)	106.3410	1.141	2	107.3010	3.416	3	108.4381	3.491	9	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)(I)	C[6](C[6]C[6]HI)(C[6]C[6]Br)(OC)(H)	H(C[6]C[6]2I)	C[6](C[6]C[6]HO)2(H)(I){1|Br<1>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HI)(C[6]C[6]Br)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2I)	107.6420	0.268	4	107.6420	0.072	4	107.6420	0.072	4	109.1340	1.407	329	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:2:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:O-2:	C[6]-4:	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6]CH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6,6])(OC)	H(C[6]C[6]2Br)	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6]CH)(Br)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6,6])(OC){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2Br)	108.2225	0.042	2	108.2225	0.002	2	108.2225	0.002	2	109.3155	0.220	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(OC[6a])(OSi)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(OC[6a])(OSi){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9900	0.035	2	108.9900	0.001	2	109.2533	0.093	4	109.3155	0.220	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]OO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC[6a])(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]OO)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC[6a])(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.5165	0.009	2	109.5165	0.000	2	109.2533	0.093	4	109.3155	0.220	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:S-2:S-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]SS)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(SC[6a])2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]SS)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(SC[6a])2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5590	0.054	10	109.5590	0.003	10	109.5590	0.003	10	109.3155	0.220	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:3:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:C-3:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(O[6]C[6])(CC[6a]O)	H(C[6]C[6]2Cl)	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(Cl)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(O[6]C[6])(CC[6a]O){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2Cl)	109.4190	0.000	1	109.4190	0.000	1	109.4190	0.000	1	109.4435	0.001	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:S-2:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CS)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(SC[6a])(CHN)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CS)(H)2{1|C<3>,1|S<2>,1|S<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(SC[6a])(CHN){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4680	0.000	1	109.4680	0.000	1	109.4680	0.000	1	109.4435	0.001	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CH3)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]C)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CH3){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	108.8210	0.045	2	108.8210	0.002	2	108.4903	0.067	6	108.4181	0.129	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]O[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CH3)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]O[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CH3){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	108.3250	0.036	4	108.3250	0.001	4	108.4903	0.067	6	108.4181	0.129	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6a]O[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]O[6])(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6a]O[6]C)(H)2{1|O<1>,2|O<2>,4|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]O[6])(CH3){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.7055	0.039	2	108.7055	0.002	2	108.7055	0.002	2	108.4181	0.129	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:4:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6])(CH3)	H(C[6]C[6]2Br)	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(Br)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6])(CH3){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2Br)	107.6680	0.000	1	107.9140	0.121	2	107.9140	0.121	2	108.4181	0.129	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:2:4:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6])(CH3)	H(C[6]C[6]2Br)	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(Br)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6])(CH3){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2Br)	108.1600	0.000	1	107.9140	0.121	2	107.9140	0.121	2	108.4181	0.129	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](B[6]C[6a]2O[6])(C[6]C[6]CH)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]C)(CCC)(H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2O[6])(C[6]C[6]CH)(H)2{6|C<3>}	C[6](C[6]B[6]HH)(C[6]C[6]C)(CCC)(H){2|C<3>,2|O<2>}	H(C[6]B[6]C[6]H)	108.6400	0.033	2	108.6400	0.001	2	108.6400	0.001	2	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[3,5,6]C[5,6a]C[3,6]N[3,5])(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[3,5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	H(C[6]C[3,5,6]C[6]H)	C[6](C[3,5,6]C[5,6a]C[3,6]N[3,5])(C[6]C[6a]C[6]H)(H)2{1|H<1>,1|S<4>,6|C<3>}	C[6](C[6]C[3,5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[3,5,6]C[6]H)	108.7080	0.024	2	108.7080	0.001	2	108.7080	0.001	2	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HN)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(NCH)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HN)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(NCH)(H){1|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	108.9165	0.057	2	108.9165	0.003	2	108.9165	0.003	2	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]S)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6a]C[6]H)(H)2{2|H<1>,2|S<4>,3|C<3>}	C[6](C[6]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]S)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[3,6]C[6]H)	108.4355	0.045	2	108.4355	0.002	2	108.4465	0.004	4	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[6a]O[3])(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[6a]O[3])(C[6]C[6a]C[6]H)(H)2{1|H<1>,6|C<3>}	C[6](C[6]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[3,6]C[6]H)	108.4575	0.095	2	108.4575	0.009	2	108.4465	0.004	4	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5,6a]O[5])(C[6]N[6]CH)(H)2	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(COO)(H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5,6a]O[5])(C[6]N[6]CH)(H)2{1|N<3>,2|C<4>,4|C<3>}	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(COO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,5,6]C[6]H)	108.9105	0.016	2	108.9105	0.000	2	108.9105	0.000	2	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]H)(COO)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]H)(COO)(H){1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.1425	0.012	2	109.1425	0.000	2	108.9513	0.049	4	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCO)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCO)(H){2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.7600	0.033	2	108.7600	0.001	2	108.9513	0.049	4	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6a]F)(C[6]C[6]N[5]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[5,6]O)(N[5]C[5]2)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6a]F)(C[6]C[6]N[5]H)(H)2{1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]N[5,6]O)(N[5]C[5]2)(H){1|F<1>,2|C<4>,2|O<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	108.7390	0.023	2	108.7390	0.001	2	108.7390	0.001	2	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6a]O)(C[6]C[6]N[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[5,6]O)(N[6]C[6]2)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6a]O)(C[6]C[6]N[6]H)(H)2{1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]N[5,6]O)(N[6]C[6]2)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	110.2430	0.016	2	110.2430	0.000	2	110.2430	0.000	2	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:N[6a]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6a]O)(C[6]N[6a]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[5,6]O)(N[6a]C[6a]2)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6a]O)(C[6]N[6a]C[6]H)(H)2{1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]N[5,6]O)(N[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	110.0910	1.755	4	110.0910	3.082	4	110.0910	3.082	4	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6a]C[6]H)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.0030	0.025	2	109.0030	0.001	2	109.0220	0.001	3	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[6a]N[5])(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[6a]N[5])(C[6]C[6a]C[6]H)(H)2{1|H<1>,2|C<4>,6|C<3>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|H<1>,2|N<3>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.0600	0.000	1	109.0600	0.000	1	109.0220	0.001	3	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6a]N[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6a]N[6]H)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.5660	0.660	2	109.4762	0.157	4	109.4762	0.157	4	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6a]N[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6a]N[6]H)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|Br<1>,1|C<4>,1|N<4>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.3865	0.052	2	109.4762	0.157	4	109.4762	0.157	4	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[5,6]C)(COO)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[5,6]C)(COO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2650	0.088	2	109.2650	0.008	2	109.1783	0.067	8	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]CH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(COO)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]CH)(H)2{1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(COO)(H){1|C<4>,1|O<1>,2|C<3>}	H(C[6]C[5,6]C[6]H)	109.5160	0.175	2	109.5160	0.031	2	109.1783	0.067	8	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]N[6]CH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CNO)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]N[6]CH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CNO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0045	0.026	2	109.0045	0.001	2	109.1783	0.067	8	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]N[6]CH)(H)2	C[6](C[6]C[5,6]HH)(N[6]S[6]H)(CCH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]N[6]CH)(H)2{1|S<4>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(N[6]S[6]H)(CCH)(H){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	H(C[6]C[5,6]C[6]H)	108.9275	0.005	2	108.9275	0.000	2	109.1783	0.067	8	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:N-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HN)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(NCO)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HN)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(NCO)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1390	0.000	1	109.1390	0.000	1	109.1390	0.000	1	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[3x6]H)(COO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[3x6]H)(COO)(H){1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.2965	0.035	2	108.2965	0.001	2	108.5924	0.859	8	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CCC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CCC)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4115	0.307	4	108.4115	0.095	4	108.5924	0.859	8	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CCO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CCO)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2500	2.135	2	109.2500	4.560	2	108.5924	0.859	8	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|N<2>,5|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	110.1780	0.000	1	110.1780	0.000	1	109.5573	0.134	7	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2915	0.110	4	109.2915	0.012	4	109.5573	0.134	7	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]2H)(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]2H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.7785	0.011	2	109.7785	0.000	2	109.5573	0.134	7	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6,6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2{2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6,6]H)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8275	0.013	2	108.8275	0.000	2	108.7445	0.053	6	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2{1|C<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.4565	0.013	2	108.4565	0.000	2	108.7445	0.053	6	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]S[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]S[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9495	0.015	2	108.9495	0.000	2	108.7445	0.053	6	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]CH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(CNO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]CH)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(CNO)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1525	0.278	4	109.1525	0.077	4	109.2660	0.077	6	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]CH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(CCC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]CH)(H)2{1|S<4>,3|C<3>}	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(CCC)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.4930	0.034	2	109.4930	0.001	2	109.2660	0.077	6	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:H-1:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)(O)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CCH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)(O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CCH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]O)	108.0850	0.000	1	108.0850	0.000	1	108.0850	0.000	1	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(NCH)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6]HN)2(Br)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]H)(NCH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2Br)	112.1640	0.000	1	112.1640	0.000	1	112.1640	0.000	1	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(N[6]C[6]2)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(Br)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]H)(N[6]C[6]2)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2Br)	109.4870	0.000	1	109.4870	0.000	1	109.4870	0.000	1	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(Br)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2Br)	107.8590	0.000	1	107.8590	0.000	1	108.8472	0.368	5	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]O[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6a]N[6]H)(C[6]O[6]HH)(Br)(H){1|S<4>,3|C<3>}	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(N[6]C[6]S)(H){1|O<1>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	H(C[6]C[6]2Br)	109.2155	0.098	2	109.0943	0.083	4	108.8472	0.368	5	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]O[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6a]N[6]H)(C[6]O[6]HH)(Br)(H){1|S<4>,3|C<3>}	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(N[6]C[6]S)(H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2Br)	108.9730	0.426	2	109.0943	0.083	4	108.8472	0.368	5	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]O[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCC)(H)	H(C[6]C[6]2Br)	C[6](C[6]N[6]CH)(C[6]O[6]HH)(Br)(H){1|C<3>,1|S<4>}	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCC)(H){1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2Br)	108.5840	0.000	1	108.5840	0.000	1	108.8118	0.068	6	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]O[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCH)(H)	H(C[6]C[6]2Br)	C[6](C[6]N[6]CH)(C[6]O[6]HH)(Br)(H){1|C<3>,1|S<4>}	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCH)(H){1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2Br)	108.8574	0.263	5	108.8574	0.069	5	108.8118	0.068	6	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(F)(H)	C[6](C[6]C[6]FH)(N[6]C[6]H)(CNO)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(F)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]FH)(N[6]C[6]H)(CNO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2F)	110.0910	0.000	1	110.0910	0.000	1	110.0910	0.000	1	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:Br-1:	C[6]-4:	C[6](C[6]C[6]BrC)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(Br)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrC)(C[6]C[6]CH)(H)2{1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(Br){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.1560	0.000	1	109.1560	0.000	1	108.7683	0.113	3	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:Br-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]BrC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(Br)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]BrC)(H)2{1|Br<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(Br){1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	108.5745	0.019	2	108.5745	0.000	2	108.7683	0.113	3	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:F-1:	C[6]-4:	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(COO)(F)	H(C[6]C[6]2H)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(COO)(F){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0768	2.374	10	109.0768	5.636	10	109.0768	5.636	10	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]BrC)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]Br)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrC)(C[6]C[6]CH)(H)2{1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(COO)(H){1|Br<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.0950	0.000	1	109.0950	0.000	1	109.3328	0.188	39	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2145	0.006	2	109.2225	0.553	4	109.3328	0.188	39	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2305	1.288	2	109.2225	0.553	4	109.3328	0.188	39	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1150	0.042	2	109.1150	0.002	2	109.3328	0.188	39	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5069	0.072	7	109.5069	0.005	7	109.3328	0.188	39	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCH)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6995	0.011	2	109.6995	0.000	2	109.3328	0.188	39	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(COO)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4930	0.325	4	109.3312	0.126	6	109.3328	0.188	39	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(COO)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0075	0.025	2	109.3312	0.126	6	109.3328	0.188	39	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]OO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]OO)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCO)(H){1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2H)	108.9320	0.000	1	108.9320	0.000	1	109.3328	0.188	39	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)(H){1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	109.4825	0.037	2	109.4825	0.001	2	109.3328	0.188	39	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]CN)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]C)(CNO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]CN)(H)2{1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]HH)(C[6]N[6]C)(CNO)(H){1|C<3>,2|N<3>}	H(C[6]C[6]2H)	108.1645	0.011	2	108.1645	0.000	2	109.3328	0.188	39	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.1287	0.026	4	109.1287	0.001	4	109.3328	0.188	39	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]CO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]O[6]CO)(H)2{2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)(H){1|C<3>,1|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.7010	0.218	4	109.7010	0.047	4	109.3328	0.188	39	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]O[6]HO)(H)2{2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)(H){1|C<3>,1|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.3855	0.018	2	109.3855	0.000	2	109.3328	0.188	39	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7575	0.008	2	109.7575	0.000	2	109.3328	0.188	39	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(C[6]N[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(C[6]N[6]O)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7595	0.013	2	109.7595	0.000	2	109.4230	0.151	4	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]Pt)(C[6]C[6]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|Pt<4>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Pt)(C[6]C[6]2)(H){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.0865	0.009	2	109.0865	0.000	2	109.4230	0.151	4	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCS)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4105	0.019	2	109.4105	0.000	2	109.6137	2.657	56	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]O)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]O)(NCH)(H){1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.7560	0.000	1	109.7560	0.000	1	109.6137	2.657	56	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]O)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HN)(H)2{1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]O)(NCH)(H){1|N<2>,2|C<4>}	H(C[6]C[6]2H)	109.3500	0.004	2	109.3500	0.000	2	109.6137	2.657	56	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|Br<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCC)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3245	0.149	2	109.3245	0.022	2	109.6137	2.657	56	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|Br<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCH)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9267	0.635	4	108.9267	0.403	4	109.6137	2.657	56	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NC[5]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|Br<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NC[5]H)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.8925	0.719	2	110.8925	0.517	2	109.6137	2.657	56	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<2>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4000	0.028	2	109.4000	0.001	2	109.6137	2.657	56	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NSS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<2>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NSS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8132	0.335	6	109.8132	0.112	6	109.6137	2.657	56	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCS)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6030	0.038	2	109.6030	0.001	2	109.6137	2.657	56	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]C)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.6120	1.557	2	110.0240	0.421	10	109.6137	2.657	56	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]C)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8770	0.268	8	110.0240	0.421	10	109.6137	2.657	56	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1035	0.043	2	109.2250	0.021	4	109.6137	2.657	56	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3465	0.039	2	109.2250	0.021	4	109.6137	2.657	56	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(NHS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NHS)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4160	0.031	2	109.4160	0.001	2	109.6137	2.657	56	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(NCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1160	0.020	2	109.1160	0.000	2	109.6137	2.657	56	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCC)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.9165	0.011	2	109.9165	0.000	2	109.6137	2.657	56	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.8295	0.023	2	109.2268	25.361	6	109.6137	2.657	56	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|N<3>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.9255	6.473	4	109.2268	25.361	6	109.6137	2.657	56	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]O)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]O)(NCH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.0640	0.000	1	110.0640	0.000	1	109.6137	2.657	56	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NC[5]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2{1|Br<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NC[5]H)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.7540	0.409	4	109.7540	0.167	4	109.6137	2.657	56	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.7920	1.568	2	109.7920	2.460	2	109.6137	2.657	56	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:N[5]-3:F-1:	C[6]-4:	C[6](C[6]C[6]N[5]F)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(F)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]F)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(F){2|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	106.8735	2.399	8	106.8735	5.754	8	106.8735	5.754	8	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){1|O<1>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.9376	0.080	7	109.7862	0.098	22	109.7941	0.074	30	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	H(C[6]C[6]2H)	109.0860	0.697	2	109.7862	0.098	22	109.7941	0.074	30	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	H(C[6]C[6]2H)	110.0710	0.038	3	109.7862	0.098	22	109.7941	0.074	30	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	H(C[6]C[6]2H)	109.8875	0.036	2	109.7862	0.098	22	109.7941	0.074	30	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){2|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6967	0.093	8	109.7862	0.098	22	109.7941	0.074	30	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]O)(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]O[6]O)(N[5]C[5]2)(H){2|H<1>,2|O<1>,3|C<3>}	H(C[6]C[6]2H)	109.8855	0.046	4	109.8855	0.002	4	109.7941	0.074	30	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(N[5]C[5]2)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	H(C[6]C[6]2H)	109.6660	0.028	2	109.6660	0.001	2	109.7941	0.074	30	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(H)2{1|N<3>,2|C<3>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){1|O<2>,2|H<1>,2|O<1>,3|C<3>}	H(C[6]C[6]2H)	109.8265	0.036	2	109.8265	0.001	2	109.7941	0.074	30	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:S-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(SC[6a]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(SC[6a]O)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3070	0.041	2	109.3070	0.002	2	109.3070	0.002	2	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[3]C[6]H)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]H)(C[6]N[6]CH)(H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.4340	0.000	1	109.4340	0.000	1	109.2776	0.714	79	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H){1|H<1>,1|S<1>,2|C<4>}	H(C[6]C[6]2H)	110.0160	0.058	2	109.5443	0.298	4	109.2776	0.714	79	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H){1|P<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0725	0.025	2	109.5443	0.298	4	109.2776	0.714	79	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6010	0.058	4	109.6010	0.003	4	109.2776	0.714	79	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<3>,1|S<2>,1|S<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCS)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8925	0.025	2	108.8925	0.001	2	109.2776	0.714	79	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1235	0.008	2	109.1235	0.000	2	109.2776	0.714	79	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CHH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	105.0035	1.835	2	105.0035	3.367	2	109.2776	0.714	79	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9782	0.214	22	108.9782	0.046	22	109.2776	0.714	79	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.6005	0.016	2	109.3990	0.035	6	109.2776	0.714	79	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.1860	0.030	2	109.3990	0.035	6	109.2776	0.714	79	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.4105	0.040	2	109.3990	0.035	6	109.2776	0.714	79	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(COO)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.4685	0.008	2	109.4685	0.000	2	109.2776	0.714	79	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|S<4>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.7400	0.008	2	109.7400	0.000	2	109.2776	0.714	79	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]N[6]C)(CC[6a]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|N<3>,3|C<3>}	C[6](C[6]C[6]HH)(N[6]N[6]C)(CC[6a]C)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.0175	0.053	2	110.0175	0.003	2	109.2776	0.714	79	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]N[6]H)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]N[6]H)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5745	0.119	6	109.5745	0.014	6	109.2776	0.714	79	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4915	0.359	4	109.4915	0.129	4	109.2776	0.714	79	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CNO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CNO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4060	0.010	2	109.4060	0.000	2	109.2776	0.714	79	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]S[6]H)(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]O[6]H)(C[6]N[6]CH)(H)2{1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]S[6]H)(CCH)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	H(C[6]C[6]2H)	109.1840	0.057	2	109.1840	0.003	2	109.2776	0.714	79	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(COO)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.7895	0.098	6	109.7895	0.010	6	109.2776	0.714	79	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]S[6]H)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]HH)(N[6]S[6]H)(COO)(H){1|N<3>,2|H<1>,2|O<1>}	H(C[6]C[6]2H)	109.3390	0.024	2	109.3390	0.001	2	109.2776	0.714	79	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|S<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.5433	0.239	4	109.5433	0.057	4	109.2776	0.714	79	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]N[6]CH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)2(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(COO)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	110.0828	1.014	4	110.0828	1.029	4	109.2776	0.714	79	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HN)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(NHS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HN)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(NHS)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2218	0.141	4	109.2218	0.020	4	109.2218	0.020	4	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)(I)	C[6](C[6]C[6]HI)(N[6]C[6]S)(CCH)(H)	H(C[6]C[6]2I)	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)(I){1|S<4>,2|C<3>}	C[6](C[6]C[6]HI)(N[6]C[6]S)(CCH)(H){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2I)	108.0280	0.000	1	108.0280	0.000	1	108.0280	0.000	1	109.2730	1.310	318	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(COO)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(COO)(OH){1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.3685	0.029	2	108.3685	0.001	2	108.3685	0.001	2	108.9050	0.232	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:2:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]N)(OC)	H(C[6]C[6]2Br)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(Br)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]N)(OC){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2Br)	108.0530	0.000	1	107.9650	0.022	3	107.9650	0.022	3	108.9050	0.232	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:2:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]N)(OC)	H(C[6]C[6]2Br)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(Br)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]N)(OC){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2Br)	107.9210	0.178	2	107.9650	0.022	3	107.9650	0.022	3	108.9050	0.232	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:S-2:	C[6]-4:	C[6](C[6]C[6]CS)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(SP)	H(C[6]C[6]2H)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(SP){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0810	0.016	2	109.0810	0.000	2	109.0157	0.006	4	108.9050	0.232	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:S-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CS)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(SP)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CS)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(SP){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9505	0.015	2	108.9505	0.000	2	109.0157	0.006	4	108.9050	0.232	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:C-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0227	0.350	3	109.0982	0.052	9	109.0982	0.052	9	108.9050	0.232	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:C-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1360	0.170	6	109.0982	0.052	9	109.0982	0.052	9	108.9050	0.232	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CO)(H)2	C[6](C[6]C[6]HH)(N[6]N[6]C)(CCN)(OSi)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CO)(H)2{1|N<2>,2|C<3>}	C[6](C[6]C[6]HH)(N[6]N[6]C)(CCN)(OSi){1|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3328	0.118	4	109.3328	0.014	4	109.3328	0.014	4	108.9050	0.232	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3345	0.018	2	109.3345	0.000	2	108.6758	0.842	10	107.9779	6.308	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCC)(CCO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCC)(CCO){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.1412	1.285	4	108.1412	1.651	4	108.6758	0.842	10	107.9779	6.308	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)(COO){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1065	0.489	2	109.1065	0.239	2	108.6758	0.842	10	107.9779	6.308	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HS)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]2H)	108.6555	0.012	2	108.6555	0.000	2	108.6758	0.842	10	107.9779	6.308	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(NCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(NCH){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3700	0.088	2	109.3700	0.008	2	109.2715	0.016	4	107.9779	6.308	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(NNO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(NNO){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1730	0.054	2	109.1730	0.003	2	109.2715	0.016	4	107.9779	6.308	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CHH)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CHH)2{1|H<1>,1|N<2>,3|C<4>}	H(C[6]C[6]2H)	101.7750	2.172	2	101.7750	4.719	2	101.7750	4.719	2	107.9779	6.308	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:N-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]CN)(H)2	C[6](C[6]C[6]HH)(N[6]N[6]C)(COO)(NCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]CN)(H)2{1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]HH)(N[6]N[6]C)(COO)(NCH){1|H<1>,2|C<3>}	H(C[6]C[6]2H)	108.2300	0.000	1	108.2300	0.000	1	108.2300	0.000	1	107.9779	6.308	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[5]O)(CCHH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(H)2{1|H<1>,2|O<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[5]O)(CCHH){1|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.4330	0.000	1	108.4330	0.000	1	108.4330	0.000	1	109.0083	0.130	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5a]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[5a]2)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]H)(C[5a]C[5a]O[5a])2(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[5a]2)(C[6]C[6]HH)(H)2{1|H<1>,2|O<2>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[5a]C[5a]O[5a])2(C[6]C[6]HH){1|O<2>,4|H<1>,7|C<3>}	H(C[6]C[6]2H)	108.5450	0.049	2	108.5450	0.002	2	108.5450	0.002	2	109.0083	0.130	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5]O)(CCHH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5]O)(CCHH){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.4465	0.030	2	109.4465	0.001	2	109.2013	0.081	4	109.0083	0.130	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]O)(CCHH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]O)(CCHH){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9560	0.014	2	108.9560	0.000	2	109.2013	0.081	4	109.0083	0.130	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]2C[6])(C[6]C[5,6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6a]C[6a]2)2(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]2C[6])(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]N[5,6]HH)(C[6a]C[6a]2)2(C[6]C[6]HH){1|C<4>,1|S<4>,4|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.2490	0.030	2	109.1907	0.006	4	109.1907	0.006	4	109.0083	0.130	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:3:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]2C[6])(C[6]C[5,6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6a]C[6a]2)2(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]2C[6])(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]N[5,6]HH)(C[6a]C[6a]2)2(C[6]C[6]HH){1|C<4>,5|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.1325	0.054	2	109.1907	0.006	4	109.1907	0.006	4	109.0083	0.130	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]O)(CC[5a]CC)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]O)(CC[5a]CC)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[3,6]C[6]H)	109.2765	0.005	2	109.2765	0.000	2	109.2765	0.000	2	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]CH)(H)2	C[6](C[6]C[3,6]HH)(N[6]C[6]H)(CHHO)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]CH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[3,6]HH)(N[6]C[6]H)(CHHO)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[3,6]C[6]H)	109.1852	0.088	4	109.1852	0.008	4	109.1852	0.008	4	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[3x6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6a]C[6]H)(H)2{1|N<3>,2|H<1>,3|C<4>,4|C<3>}	C[6](C[6]C[3x6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]H)	109.1777	0.175	3	109.1777	0.031	3	109.1777	0.031	3	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[4,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]N[4]H)(C[6]N[6]CH)(Cl)(H)	C[6](C[6]C[4,6]ClH)(N[6]C[6]C)(CCCH)(H)	H(C[6]C[4,6]C[6]Cl)	C[6](C[4,6]C[4,6]N[4]H)(C[6]N[6]CH)(Cl)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[4,6]ClH)(N[6]C[6]C)(CCCH)(H){1|C<4>,1|H<1>,1|N<4>,1|O<1>}	H(C[6]C[4,6]C[6]Cl)	109.0910	0.000	1	109.0910	0.000	1	109.0910	0.000	1	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(CH3)(H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]CH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(CH3)(H){4|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.6135	0.019	2	108.6135	0.000	2	108.7518	0.026	4	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]C)(CCHH)(H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]CH)(H)2{1|O<2>,3|C<3>,3|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6,6]C[6]H)	108.8900	0.011	2	108.8900	0.000	2	108.7518	0.026	4	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.7335	0.040	2	108.7335	0.002	2	108.9263	0.349	46	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6,6]O)(CCHH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6,6]O)(CCHH)(H){2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.5955	0.054	2	109.5955	0.003	2	108.9263	0.349	46	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCHH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.0700	0.000	1	109.0700	0.000	1	108.9263	0.349	46	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]O)(CCHH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]O)(CCHH)(H){2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.7590	0.000	1	109.7590	0.000	1	108.9263	0.349	46	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CC[6a]CH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CC[6a]CH)(H){1|Fe<8>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.8630	0.085	2	109.8630	0.007	2	108.9263	0.349	46	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0715	1.949	2	109.0715	3.801	2	108.9263	0.349	46	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	107.6800	0.519	2	107.6800	0.269	2	108.9263	0.349	46	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCHH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	109.3775	0.174	4	109.3775	0.030	4	108.9263	0.349	46	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCCH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.8720	0.085	3	108.8720	0.007	3	108.9263	0.349	46	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCHH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1110	0.013	2	109.1110	0.000	2	108.9263	0.349	46	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CH3)(H){4|C<3>}	H(C[6]C[5,6]C[6]H)	108.8785	0.032	2	108.8785	0.001	2	108.9263	0.349	46	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCCH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.9235	0.016	2	108.9235	0.000	2	108.9263	0.349	46	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]2O[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCHH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2O[6])(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCHH)(H){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.3840	0.000	1	109.3840	0.000	1	108.9263	0.349	46	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	109.0222	0.231	4	108.5371	0.156	12	108.9263	0.349	46	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(H)2{1|O<1>,2|C<4>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	108.3500	0.120	6	108.5371	0.156	12	108.9263	0.349	46	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	108.1280	0.024	2	108.5371	0.156	12	108.9263	0.349	46	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5a,6]S[5]2)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5a,6]O)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5a,6]S[5]2)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[5a,6]O)(CH3)(H){2|C<3>,2|S<2>}	H(C[6]C[5,6]C[6]H)	108.8160	0.034	2	108.8160	0.001	2	108.9263	0.349	46	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CCHH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.1270	0.006	2	109.1270	0.000	2	108.9263	0.349	46	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CCHO)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CCHO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.2240	0.008	2	109.2240	0.000	2	108.9263	0.349	46	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CC[6a]CH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CC[6a]CH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	108.8885	0.023	2	108.8885	0.001	2	108.9263	0.349	46	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.2043	0.216	4	109.2043	0.047	4	109.3033	0.838	15	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,4|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.5550	0.024	2	109.5550	0.001	2	109.3033	0.838	15	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]2N[6])(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2N[6])(C[6]C[6a]C[6]H)(H)2{1|S<4>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	108.7120	0.013	2	108.7120	0.000	2	109.3033	0.838	15	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6a]C[6]H)(H)2{1|N<2>,1|N<3>,3|H<1>,5|C<3>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	110.2780	1.219	2	110.2780	1.486	2	109.3033	0.838	15	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6a]C[6]H)(H)2{1|N<2>,2|C<4>,2|H<1>,6|C<3>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	108.7190	0.000	1	108.7190	0.000	1	109.3033	0.838	15	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[6a]N[5])(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[6a]N[5])(C[6]C[6a]C[6]H)(H)2{1|N<3>,2|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	H(C[6]C[5,6]C[6]H)	108.5450	2.258	2	108.5450	5.101	2	109.3033	0.838	15	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]O[5]C)(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CN)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]O[5]C)(C[6]C[6a]C[6]H)(H)2{1|N<3>,2|C<4>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.9170	0.017	2	109.9170	0.000	2	109.3033	0.838	15	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[6,6a]N[5])(C[6]N[6]CH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6,6a]H)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[6,6a]N[5])(C[6]N[6]CH)(H)2{2|H<1>,5|C<3>}	C[6](C[6]C[5,6]HH)(N[6]C[6,6a]H)(CH3)(H){1|N<3>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.0212	0.132	4	109.0212	0.017	4	108.7578	0.088	10	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CCHH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CCHH)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]H)	108.8430	0.011	2	108.8430	0.000	2	108.7578	0.088	10	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]H)	108.5840	0.023	2	108.5840	0.001	2	108.7578	0.088	10	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[6]S[5]2)(C[6]N[6]CH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(CCHH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]S[5]2)(C[6]N[6]CH)(H)2{1|S<4>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,2|S<2>}	H(C[6]C[5,6]C[6]H)	108.3195	0.046	2	108.3195	0.002	2	108.7578	0.088	10	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[3a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3a]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[3a]C[3a]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3a]C[6]H)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[3a]C[3a]2)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.6515	0.005	2	108.6515	0.000	2	108.6515	0.000	2	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9795	0.168	4	108.9795	0.028	4	108.7054	0.335	27	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CHHO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CHHO)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.4872	0.024	4	108.4872	0.001	4	108.7054	0.335	27	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{2|C<4>,3|O<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.7512	0.035	4	108.7512	0.001	4	108.7054	0.335	27	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCCH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCCH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.7800	0.011	2	108.7800	0.000	2	108.7054	0.335	27	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CCHH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CCHH)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	107.4255	0.047	2	107.4255	0.002	2	108.7054	0.335	27	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2438	0.106	4	109.2438	0.011	4	108.7054	0.335	27	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCCH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCCH)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.4857	1.038	4	108.4857	1.078	4	108.7054	0.335	27	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCHH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8120	0.000	1	108.8120	0.000	1	108.7054	0.335	27	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0160	0.007	2	109.0160	0.000	2	108.7054	0.335	27	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]N[6])(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2{1|C<3>,1|N<3>,4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]N[6])(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3695	0.118	6	109.3695	0.014	6	109.3695	0.014	6	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:Si-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SiH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(SiC3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SiH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(SiC3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1510	0.020	2	109.1510	0.000	2	109.1510	0.000	2	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6a]C[6]H)(H)2{1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	110.0590	0.769	4	110.0590	0.591	4	109.0475	1.625	23	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0240	0.030	2	109.0240	0.001	2	109.0475	1.625	23	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	105.3950	0.461	2	105.3950	0.213	2	109.0475	1.625	23	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|N<3>,1|S<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7575	0.005	2	109.1407	0.258	7	109.0475	1.625	23	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4638	0.432	4	109.1407	0.258	7	109.0475	1.625	23	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6150	0.000	1	109.1407	0.258	7	109.0475	1.625	23	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.6560	0.014	2	109.6560	0.000	2	109.0475	1.625	23	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.6030	0.054	2	109.6030	0.003	2	109.0475	1.625	23	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]O[6]C)(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]O[6]C)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1215	0.023	2	109.1215	0.001	2	109.0475	1.625	23	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6a]C[6]H)(H)2{1|H<1>,6|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|Br<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1360	0.014	2	109.1360	0.000	2	109.0475	1.625	23	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:N[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6]CC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2{2|H<1>,3|C<4>,4|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6]CC)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3035	1.770	2	109.3035	3.133	2	109.3035	3.133	2	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]CH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]CH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.3870	0.000	1	109.3870	0.000	1	109.0293	0.096	3	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6]N[5,6,6]C[6]H)(C[6]N[6]CH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[5,6]H)(CC[6a]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[5,6,6]C[6]H)(C[6]N[6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[5,6]H)(CC[6a]HH)(H){1|C<4>,1|H<1>,2|N<3>}	H(C[6]C[6,6]C[6]H)	108.8505	0.019	2	108.8505	0.000	2	109.0293	0.096	3	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(Br)(H)	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(Br)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2Br)	108.8925	0.248	2	108.8925	0.062	2	108.8925	0.062	2	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(Br)(H)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCCH)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(Br)(H){1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2Br)	108.0605	0.267	2	108.0605	0.071	2	108.2380	0.130	3	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]O[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCHH)(H)	H(C[6]C[6]2Br)	C[6](C[6]N[6]CH)(C[6]O[6]HH)(Br)(H){1|C<3>,1|S<4>}	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCHH)(H){1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2Br)	108.5930	0.000	1	108.5930	0.000	1	108.2380	0.130	3	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]O)(CH3)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(Cl)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]O)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2Cl)	108.3980	0.000	1	108.3980	0.000	1	108.3980	0.000	1	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(C[6]C[6]HW)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(Cl)(H){1|C<4>,1|H<1>,1|N<3>,1|W<7>,2|C<3>}	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(C[6]C[6]HW)(H){2|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2Cl)	107.4250	0.000	1	107.4250	0.000	1	107.4250	0.000	1	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(F)(H)	C[6](C[6]C[6]FH)(N[6]C[6]H)(CC[6a]CH)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(F)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]FH)(N[6]C[6]H)(CC[6a]CH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2F)	108.8720	0.000	1	108.8720	0.000	1	108.8720	0.000	1	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]N[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[3,6]C[3,6]C[6]O[3])(N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]N[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[6](C[3,6]C[3,6]C[6]O[3])(N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H){1|C<2>,1|N<3>,4|C<4>,7|H<1>}	H(C[6]C[6]2H)	109.3170	0.171	3	109.3170	0.029	3	109.3170	0.029	3	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[4,6]C[6a]H)(C[6]O[6]HO)(H)2	C[6](C[4,6]N[4,6]C[4]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]C[6a]H)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[4,6]N[4,6]C[4]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5005	0.005	2	109.5005	0.000	2	109.5005	0.000	2	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|N<3>,3|C<3>,6|H<1>}	H(C[6]C[6]2H)	107.3300	0.580	2	107.3300	0.336	2	108.6915	1.181	6	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,1|S<4>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,5|H<1>}	H(C[6]C[6]2H)	109.3325	0.012	2	109.3325	0.000	2	108.6915	1.181	6	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]HO)(H)2	C[6](C[5,6]C[5]2C[6])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]HO)(H)2{1|C<4>,1|O<2>,1|S<4>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	H(C[6]C[6]2H)	109.4120	0.023	2	109.4120	0.001	2	108.6915	1.181	6	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CC)(H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CC)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]O[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.3840	0.031	2	108.3840	0.001	2	108.9677	0.380	45	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CH)(H)2{1|C<4>,2|N<2>,4|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.1730	0.109	4	109.1730	0.012	4	108.9677	0.380	45	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(H)2{1|C<4>,1|N<2>,2|O<2>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.1185	0.101	12	109.1001	0.011	14	108.9677	0.380	45	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(H)2{1|C<4>,1|N<2>,2|O<2>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|O<1>,5|C<3>}	H(C[6]C[6]2H)	108.9900	0.034	2	109.1001	0.011	14	108.9677	0.380	45	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(H)2	C[6](C[5,6]S[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(H)2{1|S<4>,2|H<1>,4|C<3>}	C[6](C[5,6]S[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	H(C[6]C[6]2H)	108.0830	0.200	4	108.0830	0.040	4	108.9677	0.380	45	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]C[6a]O)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]C[6a]O)(H)2{1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|C<3>,6|H<1>}	H(C[6]C[6]2H)	108.7965	0.114	2	108.7965	0.013	2	108.9677	0.380	45	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]HN)(H)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]HN)(H)2{1|C<4>,6|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|O<1>,4|H<1>,5|C<3>}	H(C[6]C[6]2H)	108.3315	0.046	2	108.3315	0.002	2	108.9677	0.380	45	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6a]Si[5,6]B)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H)2{1|Si<4>,1|B<3>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]Si[5,6]B)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,4|H<1>,5|C<3>}	H(C[6]C[6]2H)	107.9170	0.324	2	107.9170	0.105	2	108.9677	0.380	45	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8910	0.011	2	109.8910	0.000	2	108.9677	0.380	45	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HO)(H)2	C[6](C[5,6]C[5,6a]C[5]S[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HO)(H)2{1|H<1>,1|S<2>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]S[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.4250	0.025	3	108.4250	0.001	3	108.9677	0.380	45	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]N[5a,6]HO)(H)2	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[5a,6]HO)(H)2{1|N<3>,5|C<3>}	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|N<3>,3|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.1950	0.089	4	109.1950	0.008	4	108.9677	0.380	45	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,3|O<2>,4|H<1>}	H(C[6]C[6]2H)	110.6705	0.052	2	110.6705	0.003	2	108.9677	0.380	45	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[5,6]C[6a]H)(H)2	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[5,6]C[6a]H)(H)2{8|C<3>}	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|N<3>,3|H<1>,6|C<3>}	H(C[6]C[6]2H)	109.2712	0.069	4	109.2712	0.005	4	108.9677	0.380	45	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]N[5a]H)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]O[5,6]C[5]H)(N[5a]N[5a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]N[5a]H)(C[6]C[5,6]HO)(H)2{1|C<4>,2|H<1>,2|N<2>,2|O<2>}	C[6](C[5,6]O[5,6]C[5]H)(N[5a]N[5a]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.0137	0.064	6	109.0137	0.004	6	109.2228	0.153	8	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]N[5a]H)(C[6]C[5,6]OO)(H)2	C[6](C[5,6]O[5,6]C[5]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]N[5a]H)(C[6]C[5,6]OO)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]C[5]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>,3|O<2>}	H(C[6]C[6]2H)	109.8500	0.018	2	109.8500	0.000	2	109.2228	0.153	8	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-3:C[6]-4:F-1:	C[6]-4:	C[6](C[6]C[5]C[6]F)(C[6]C[6,6a]HH)(H)2	C[6](C[5]C[5,6a]O[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(F)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]F)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[5]C[5,6a]O[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(F){2|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.1710	0.025	2	109.1710	0.001	2	109.1710	0.001	2	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[5]C[5,6]C[5]C)(C[6]C[6,6]C)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	C[6](C[5]C[5,6]C[5]C)(C[6]C[6,6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8585	0.067	2	109.8585	0.005	2	109.6570	0.056	4	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5]N[5]H)(C[6]C[6]N[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6](C[5]C[5]N[5]H)(C[6]C[6]N[6])(C[6]C[6]HH)(H){1|N<3>,1|S<4>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4555	0.015	2	109.4555	0.000	2	109.6570	0.056	4	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6,6a]O)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	H(C[6]C[6]2H)	108.8880	0.000	1	108.8880	0.000	1	108.8880	0.000	1	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]CO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]CO)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.4325	0.395	4	108.4325	0.156	4	108.9035	0.177	30	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	108.9290	0.000	1	108.9290	0.000	1	108.9035	0.177	30	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HO)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	108.6020	0.000	1	108.6020	0.000	1	108.9035	0.177	30	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|H<1>,7|C<3>}	H(C[6]C[6]2H)	108.8240	0.000	1	108.8240	0.000	1	108.9035	0.177	30	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CO)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5415	0.021	2	109.5415	0.000	2	108.9035	0.177	30	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2O[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6]2O[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,7|H<1>}	H(C[6]C[6]2H)	109.3220	0.017	2	109.3220	0.000	2	108.9035	0.177	30	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]N[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]N[6]H)(H)2{1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6]2H)	108.6310	0.010	2	108.6310	0.000	2	108.9035	0.177	30	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]O[6]H)(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]O[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|H<1>,5|C<3>}	H(C[6]C[6]2H)	108.9338	0.391	5	108.9338	0.153	5	108.9035	0.177	30	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|C<3>,8|H<1>}	H(C[6]C[6]2H)	109.0600	0.020	2	109.0600	0.000	2	108.9035	0.177	30	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,7|H<1>}	H(C[6]C[6]2H)	108.9025	0.037	2	108.9025	0.001	2	108.9035	0.177	30	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	H(C[6]C[6]2H)	108.6305	0.667	2	108.6305	0.445	2	108.9035	0.177	30	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CC)(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CC)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,2|O<2>,3|C<4>,4|C<3>}	H(C[6]C[6]2H)	109.2615	0.015	2	109.2615	0.000	2	108.9035	0.177	30	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CH)(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.4530	0.052	2	108.4530	0.003	2	108.9035	0.177	30	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|O<2>,4|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.3740	0.028	2	109.3740	0.001	2	108.9035	0.177	30	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[3a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3a]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[3a]C[3a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3a]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[3a]C[3a]2)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9840	0.042	2	108.9840	0.002	2	108.9840	0.002	2	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6]C[6,6a]HN)(C[5a]C[5a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6,6a]HN)(C[5a]C[5a]2)(C[6]C[6]HH)(H){1|S<2>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4750	0.013	2	109.4750	0.000	2	109.4877	0.006	6	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a]C[6]H)(C[5a]N[5a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[5a]N[5a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4940	0.101	4	109.4940	0.010	4	109.4877	0.006	6	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:Br-1:	C[6]-4:	C[6](C[6]C[6]BrC)(C[6]C[6]CC)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]O)(CHHO)(Br)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrC)(C[6]C[6]CC)(H)2{1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]O)(CHHO)(Br){1|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.7900	0.038	2	108.7900	0.001	2	108.7900	0.001	2	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1645	0.977	2	109.1645	0.954	2	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0490	0.020	2	109.0490	0.000	2	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6895	0.021	2	108.6895	0.000	2	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2615	0.006	2	109.2615	0.000	2	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]O)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]O)(CH3)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5835	0.154	4	109.5835	0.024	4	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCCH)(H){1|Br<1>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	109.1400	0.011	2	109.1400	0.000	2	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H){1|C<4>,3|C<3>}	H(C[6]C[6]2H)	108.8840	0.000	1	109.0783	0.028	3	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	109.1755	0.018	2	109.0783	0.028	3	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	107.7290	0.000	1	107.7290	0.000	1	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.3220	0.007	2	109.3220	0.000	2	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]Br)(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(CC3)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.6080	0.020	4	108.6080	0.000	4	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7035	0.015	2	109.7035	0.000	2	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5300	0.014	2	109.3955	0.024	4	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2610	0.024	2	109.3955	0.024	4	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0680	0.074	3	108.6982	0.062	12	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5749	0.122	9	108.6982	0.062	12	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3395	0.018	2	109.3854	0.002	8	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4410	0.006	2	109.3854	0.002	8	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3805	0.014	4	109.3854	0.002	8	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4390	0.011	2	109.4390	0.000	2	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]CH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]CH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0030	0.000	1	109.0030	0.000	1	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.4095	0.691	2	108.9630	0.299	6	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2398	0.183	4	108.9630	0.299	6	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4265	0.042	2	109.4265	0.002	2	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCW)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCW)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4815	0.098	2	109.4815	0.010	2	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHN)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3020	0.007	2	109.3020	0.000	2	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHO)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8465	0.914	2	108.8465	0.836	2	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[5]CO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[5]CO)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.9805	1.126	2	109.9805	1.269	2	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]CO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]CO)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8337	3.622	4	108.8337	13.116	4	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.2005	0.012	2	108.2005	0.000	2	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CH)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8820	0.006	2	109.8820	0.000	2	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CO)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5340	0.055	2	108.5340	0.003	2	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HN)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4753	0.032	3	109.4753	0.001	3	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HO)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1690	0.000	1	109.1690	0.000	1	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	106.4980	8.031	2	106.4980	64.502	2	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CInHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CInHH)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.8485	0.323	2	107.8485	0.104	2	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8932	0.423	6	109.1034	1.301	8	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7340	2.674	2	109.1034	1.301	8	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]HH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.9218	0.415	4	107.9218	0.172	4	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3870	2.162	2	109.2318	1.591	4	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0765	0.043	2	109.2318	1.591	4	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	107.9795	0.385	2	109.0975	0.785	6	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7150	0.024	2	109.0975	0.785	6	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5980	0.113	2	109.0975	0.785	6	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2840	0.000	1	108.9886	0.668	17	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1010	0.346	8	108.9886	0.668	17	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0012	0.296	4	108.9886	0.668	17	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8790	2.968	2	108.9886	0.668	17	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.4760	0.185	2	108.9886	0.668	17	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2652	0.143	4	109.2652	0.020	4	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5400	0.014	2	109.5400	0.000	2	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0172	0.087	5	108.9381	0.024	7	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7405	0.039	2	108.9381	0.024	7	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0210	0.061	2	109.0210	0.004	2	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8790	0.006	2	108.8790	0.000	2	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5]CC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5]CC)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.3390	0.067	4	108.3390	0.004	4	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.3265	0.022	2	108.3265	0.000	2	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]HH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7305	0.018	2	108.7305	0.000	2	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]2H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]2H)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.9410	0.041	2	108.9410	0.002	2	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3015	0.009	2	109.3015	0.000	2	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4810	0.038	2	109.1948	0.020	18	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1590	0.103	16	109.1948	0.020	18	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4275	0.060	2	109.3257	0.008	6	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2747	0.037	4	109.3257	0.008	6	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1043	0.114	8	109.1043	0.013	8	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1400	0.006	2	109.1400	0.000	2	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	109.3640	0.020	2	109.1647	0.105	6	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.7485	0.035	2	109.1647	0.105	6	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3815	0.037	2	109.1647	0.105	6	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]Ru)(CHHP)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Ru<5>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Ru)(CHHP)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7213	0.026	3	108.7213	0.001	3	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]N)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]N)(CH3)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6685	0.595	2	109.6685	0.354	2	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCCH)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.9700	0.013	2	109.9700	0.000	2	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHS)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1505	0.006	2	109.1505	0.000	2	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]S)(CC[6a]CH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,1|S<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]S)(CC[6a]CH)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4785	0.021	2	109.4785	0.000	2	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCHO)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0320	3.698	2	109.0320	13.676	2	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]O)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]O)(CH3)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2800	0.183	6	109.2800	0.034	6	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	108.9510	0.936	2	108.9510	0.876	2	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HS)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)(H){1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]2H)	110.6925	0.391	2	110.6925	0.153	2	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HW)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HW)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC3)(H){1|C<4>,1|W<7>,2|H<1>}	H(C[6]C[6]2H)	108.3270	0.000	1	108.3270	0.000	1	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]SS)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CB[5]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]SS)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CB[5]HH)(H){1|C<4>,2|H<1>,2|S<4>}	H(C[6]C[6]2H)	108.0885	0.054	2	108.0885	0.003	2	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<3>,1|S<2>,1|S<4>}	C[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.9055	0.037	2	108.9055	0.001	2	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.3355	0.023	2	110.6608	8.089	4	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	111.9860	4.152	2	110.6608	8.089	4	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.0670	0.021	2	109.0670	0.000	2	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[5a]CH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[5a]CH)(H){1|N<4>,4|H<1>}	H(C[6]C[6]2H)	107.8645	0.013	2	107.8645	0.000	2	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|N<3>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(H){1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.1335	0.036	2	109.1335	0.001	2	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	110.0015	0.022	2	110.0015	0.000	2	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHI)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHI)(H){1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	106.6630	0.000	1	106.6630	0.000	1	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4960	0.004	2	109.4960	0.000	2	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0885	0.040	4	109.0885	0.002	4	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.1325	1.365	2	108.1325	1.864	2	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0367	0.147	4	109.0367	0.022	4	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HO)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6670	0.014	2	108.6670	0.000	2	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H){1|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.0250	0.058	4	109.0250	0.003	4	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.1900	0.024	2	108.9395	0.051	6	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|N<3>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	108.8143	0.151	4	108.9395	0.051	6	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]2C[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]2C[6])(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,5|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H){1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.0695	0.005	2	109.0695	0.000	2	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	108.6845	0.112	2	108.6845	0.013	2	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]2H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]2H)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8840	0.074	2	108.8840	0.005	2	109.0469	0.972	266	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]N[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]2H)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]N[6])(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5293	0.070	4	109.5293	0.005	4	109.5293	0.005	4	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:P-4:F-1:	C[6]-4:	C[6](C[6]C[6]FP)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(PC[6a]2O)(F)	H(C[6]C[6]2H)	C[6](C[6]C[6]FP)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(PC[6a]2O)(F){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9442	0.253	4	108.9442	0.064	4	108.9442	0.064	4	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(PC[6]2Ni)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(PC[6]2Ni)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0710	0.585	2	109.0710	0.343	2	108.5590	45.854	10	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(PC[6]2Pt)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(PC[6]2Pt)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6675	1.309	2	108.6675	1.713	2	108.5590	45.854	10	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(PC[6]2Ru)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(PC[6]2Ru)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	106.4360	10.237	4	106.4360	104.801	4	108.5590	45.854	10	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(PC[6a]2S)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(PC[6a]2S)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	112.1845	7.167	2	112.1845	51.359	2	108.5590	45.854	10	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HS)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)(H){1|C<4>,3|C<3>}	H(C[6]C[6]2H)	108.5955	0.005	2	108.5955	0.000	2	109.3358	0.374	8	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0530	0.011	2	109.0530	0.000	2	109.3358	0.374	8	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(SC[6a]OO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(SC[6a]OO)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5680	0.014	2	109.5680	0.000	2	109.3358	0.374	8	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(SC[6a]OO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]HS)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(SC[6a]OO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	110.1265	0.039	2	110.1265	0.002	2	109.3358	0.374	8	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(H)2{2|H<1>,6|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.4320	0.028	2	109.4320	0.001	2	109.3246	0.160	87	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[4x6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[4x6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[3x6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4607	0.213	3	109.4607	0.046	3	109.3246	0.160	87	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2067	0.022	3	109.2067	0.000	3	109.3246	0.160	87	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[6]C[5,6]HO)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[5,6]HO)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|P<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3990	0.016	2	109.3990	0.000	2	109.3246	0.160	87	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CO)(H)2	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CO)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.4865	0.042	2	109.4865	0.002	2	109.3246	0.160	87	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CC)(H)2	C[6](C[6]N[6,6]CC)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CC)(H)2{1|H<1>,1|N<3>,2|C<2>,3|C<3>}	C[6](C[6]N[6,6]CC)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.5315	0.008	2	108.5315	0.000	2	109.3246	0.160	87	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4690	0.031	4	109.4690	0.001	4	109.3246	0.160	87	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]CH)(H)2	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]CH)(H)2{1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.1710	0.075	2	109.1710	0.006	2	109.3246	0.160	87	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]CH)(H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]CH)(H)2{1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,6|C<3>}	H(C[6]C[6]2H)	109.0060	0.032	4	109.0060	0.001	4	109.3246	0.160	87	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,6|C<3>}	H(C[6]C[6]2H)	109.8230	0.018	2	109.8230	0.000	2	109.3246	0.160	87	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2812	0.285	4	108.9367	0.334	6	109.3246	0.160	87	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){4|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.2475	0.008	2	108.9367	0.334	6	109.3246	0.160	87	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6]C[6,6a]N[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6,6a]N[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,4|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.4715	0.023	2	109.4715	0.001	2	109.3246	0.160	87	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HO)(H)2	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HO)(H)2{1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.3470	0.000	1	109.3470	0.000	1	109.3246	0.160	87	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FeH)(H)2	C[6](C[6]C[6]FeH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FeH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]FeH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4313	0.117	4	109.4313	0.014	4	109.3246	0.160	87	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,4|H<1>,6|C<3>}	H(C[6]C[6]2H)	109.0825	0.046	2	109.0825	0.002	2	109.3246	0.160	87	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|Se<2>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.0710	0.013	2	109.0710	0.000	2	109.3246	0.160	87	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){5|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.1680	0.017	4	109.2642	0.047	10	109.3246	0.160	87	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.1655	0.117	4	109.2642	0.047	10	109.3246	0.160	87	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,5|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.6540	0.017	2	109.2642	0.047	10	109.3246	0.160	87	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[5]O[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]N[5]O[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1890	0.037	2	109.1890	0.001	2	109.3246	0.160	87	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2{2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.1850	0.024	2	109.1850	0.001	2	109.3246	0.160	87	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HS)(H)2	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HS)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|S<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3050	0.030	2	109.3050	0.001	2	109.3246	0.160	87	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(H)2	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(H)2{1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.4230	0.150	4	109.4230	0.022	4	109.3246	0.160	87	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]HH)(H)2	C[6](C[6]C[5,6]HO)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5,6]HO)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.2723	0.119	6	109.2723	0.014	6	109.3246	0.160	87	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[5a]O[6]H)(H)2	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5a]O[6]H)(H)2{1|H<1>,1|N<2>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.6955	0.018	2	109.6955	0.000	2	109.3246	0.160	87	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6a]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6a]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5060	0.124	4	109.5060	0.015	4	109.3246	0.160	87	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	H(C[6]C[6]2H)	110.6875	1.698	2	110.6875	2.882	2	109.3246	0.160	87	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2475	0.066	2	109.2475	0.004	2	109.3246	0.160	87	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4823	0.199	6	109.4823	0.040	6	109.3246	0.160	87	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1020	0.021	2	109.1020	0.000	2	109.3246	0.160	87	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[5]H)(N[5a]C[5a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(N[5a]C[5a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5100	0.099	2	109.5100	0.010	2	109.7608	0.031	10	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[5a]C[6]H)(N[5a]C[5a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]N[5a]C[6]H)(N[5a]C[5a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.8748	0.100	6	109.8748	0.010	6	109.7608	0.031	10	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[6a]C[6]H)(N[5a]C[5a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]N[6a]C[6]H)(N[5a]C[5a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.6695	0.032	2	109.6695	0.001	2	109.7608	0.031	10	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9770	0.255	3	108.9770	0.065	3	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	108.7260	0.000	1	108.7260	0.000	1	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.5015	0.043	2	109.5015	0.002	2	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8495	0.021	2	108.8495	0.000	2	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8190	0.016	2	108.8190	0.000	2	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6150	0.008	2	108.6150	0.000	2	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1020	0.040	2	109.1020	0.002	2	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8365	0.100	2	108.4996	0.787	13	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	107.3790	0.248	4	108.4996	0.787	13	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6760	0.008	2	108.4996	0.787	13	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.1000	0.020	2	108.4996	0.787	13	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.6680	0.000	1	108.4996	0.787	13	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5430	0.689	2	108.4996	0.787	13	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[5]CO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[5]CO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5240	0.017	2	109.5240	0.000	2	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1753	0.601	6	109.1753	0.361	6	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CFeCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CFeCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1640	0.000	1	109.1640	0.000	1	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0085	0.016	2	109.0075	1.647	50	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1148	0.250	6	109.0075	1.647	50	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	105.9890	7.746	2	109.0075	1.647	50	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7920	0.071	2	109.0075	1.647	50	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1091	0.124	22	109.0075	1.647	50	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0135	0.009	2	109.0075	1.647	50	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1180	0.033	2	109.0075	1.647	50	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1204	0.104	12	109.0075	1.647	50	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CHHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CHHN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9090	0.026	3	108.9090	0.001	3	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CN[5]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CN[5]HH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0615	0.039	2	109.0615	0.002	2	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CN[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CN[6]HH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9460	0.020	2	108.9460	0.000	2	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCCH)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.2470	0.033	2	109.2470	0.001	2	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.6855	0.269	4	109.5558	0.048	9	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3310	0.000	1	109.5558	0.048	9	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4822	0.100	4	109.5558	0.048	9	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHO)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.5690	0.016	2	109.0665	0.330	4	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5640	0.018	2	109.0665	0.330	4	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[5]CO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[5]CO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1785	0.564	2	109.1785	0.318	2	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6]HH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4280	0.048	2	109.4280	0.002	2	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]HO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]HO)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.8207	0.242	6	109.0874	0.153	10	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]HO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]HO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4875	0.080	4	109.0874	0.153	10	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	107.8050	3.217	2	109.1490	2.168	8	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.5645	0.026	2	109.1490	2.168	8	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.6133	0.044	4	109.1490	2.168	8	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CHHO)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.2240	0.565	4	108.2240	0.319	4	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|P<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3895	0.008	2	109.3895	0.000	2	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|P<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0535	0.090	2	109.0535	0.008	2	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2680	0.564	2	109.2680	0.318	2	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.2460	0.007	2	109.0729	0.014	7	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9825	0.035	2	109.0729	0.014	7	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0160	0.000	1	109.0729	0.014	7	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|S<4>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0185	0.005	2	109.0729	0.014	7	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3385	0.018	2	109.2320	0.015	4	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Si<3>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1255	0.019	2	109.2320	0.015	4	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5675	0.022	2	109.1971	0.038	16	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3040	0.033	2	109.1971	0.038	16	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1162	0.134	5	109.1971	0.038	16	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1184	0.140	7	109.1971	0.038	16	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.7133	0.019	3	108.8530	0.038	7	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7815	0.018	2	108.8530	0.038	7	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1340	0.006	2	108.8530	0.038	7	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]N[6]S)(CC[6a]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|N<2>,1|S<4>}	C[6](C[6]C[6]HH)(N[6]N[6]S)(CC[6a]HH)(H){1|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4380	0.014	2	109.4380	0.000	2	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HI)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HI)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H){1|C<4>,1|I<1>,3|H<1>}	H(C[6]C[6]2H)	112.2230	0.023	2	112.2230	0.001	2	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.1195	0.011	2	109.1195	0.000	2	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHO)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.6605	0.008	2	109.6605	0.000	2	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.1420	0.010	2	109.1420	0.000	2	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCCH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.4560	0.046	4	108.4560	0.002	4	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.7930	0.000	1	108.7930	0.000	1	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.9197	0.063	4	108.9197	0.004	4	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]N[6]H)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]N[6]H)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.3720	0.027	2	109.3720	0.001	2	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CClHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]N[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CClHH)(H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0500	0.000	1	109.0500	0.000	1	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7810	0.021	2	108.7810	0.000	2	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8860	1.509	2	108.8860	2.277	2	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCl3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCl3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.4103	0.137	4	109.4103	0.019	4	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]S[6]C)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CH)(H)2{1|S<4>,2|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]S[6]C)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	H(C[6]C[6]2H)	109.0060	0.000	1	109.0060	0.000	1	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2{3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(CH3)(H){1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.1210	0.014	2	109.1210	0.000	2	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.6740	0.180	2	108.6740	0.032	2	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]O[6]CC)(H)2{2|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCCH)(H){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.9410	0.878	6	108.9410	0.771	6	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.3725	2.425	2	108.3725	5.879	2	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHO)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHO)(H){1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.9250	0.017	2	109.9250	0.000	2	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CBrCH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]O[6]HH)(H)2{1|C<3>,1|S<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CBrCH)(H){1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.7990	0.037	4	109.7990	0.001	4	109.0784	0.746	223	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]N[6]H)(H)2	C[6](C[6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]N[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[6](C[6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.9325	1.579	4	108.9325	2.493	4	109.1040	1.293	7	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[6]H)(N[6]B[6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(N[6]B[6]C[6])(C[6]C[6]HH)(H){1|B<4>,1|C<4>,1|O<2>,2|C<3>,2|F<1>,5|H<1>}	H(C[6]C[6]2H)	109.3327	0.049	3	109.3327	0.002	3	109.1040	1.293	7	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[5]H)(N[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(N[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5415	0.028	2	109.5415	0.001	2	109.5435	0.024	19	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[6]H)(N[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(N[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5137	0.149	15	109.5137	0.022	15	109.5435	0.024	19	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[5a]C[6]H)(N[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]N[5a]C[6]H)(N[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.7690	0.061	2	109.7690	0.004	2	109.5435	0.024	19	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)2(H)2	C[6](C[6]C[6]HH)(O[6]C[6]Re)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)2(H)2{1|Re<6>,1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6]Re)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.5835	0.207	2	109.5835	0.043	2	109.5835	0.043	2	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]S[6]CH)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)(S[6]C[6]O)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]S[6]CH)(C[6]S[6]HH)(H)2{1|C<4>,1|O<1>}	C[6](C[6]C[6]HH)(S[6]C[6]O)(CH3)(H){1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5970	0.000	1	108.5970	0.000	1	108.5504	0.022	5	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]S[6]CH)2(H)2	C[6](C[6]C[6]HH)(S[6]C[6]O)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]S[6]CH)2(H)2{1|C<3>,1|O<1>}	C[6](C[6]C[6]HH)(S[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	H(C[6]C[6]2H)	108.5387	0.168	4	108.5387	0.028	4	108.5504	0.022	5	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]C[5a]H)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6]H)(C[5a]C[5a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]C[5a]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](N[6,6]C[6,6]C[6]H)(C[5a]C[5a]2)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[6]C[6]2H)	109.5270	0.113	4	109.5270	0.013	4	109.5270	0.013	4	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]HO)(H)2	C[6](N[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.7875	2.108	2	108.7875	4.443	2	108.7875	4.443	2	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6]HH)(H)2	C[6](N[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.1275	0.062	2	109.1275	0.004	2	109.1475	0.018	13	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2	C[6](N[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3100	0.016	3	109.3100	0.000	3	109.1475	0.018	13	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]OO)(H)2	C[6](N[6]C[6]CuC)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]OO)(H)2{1|Cu<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6]CuC)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>,3|O<2>}	H(C[6]C[6]2H)	109.0915	0.125	8	109.0915	0.016	8	109.1475	0.018	13	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)(I)	C[6](C[6]C[6]HI)(C[6]C[6]O)(CCHH)(H)	H(C[6]C[6]2I)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)(I){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HI)(C[6]C[6]O)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2I)	107.7160	0.000	1	107.7160	0.000	1	107.7160	0.000	1	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2{1|H<1>,3|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6]HH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.7370	0.010	2	108.7370	0.000	2	108.9592	0.066	4	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.1815	0.039	2	109.1815	0.002	2	108.9592	0.066	4	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(S[6]C[6]OO)(H)2	C[6](C[6]S[6]HH)(C[6]C[6]F)(CHHN)(H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]CH)(S[6]C[6]OO)(H)2{1|C<3>,1|F<1>,2|H<1>}	C[6](C[6]S[6]HH)(C[6]C[6]F)(CHHN)(H){1|C<4>,1|H<1>,2|O<1>}	H(C[6]C[6]S[6]H)	108.9390	0.007	2	108.9390	0.000	2	108.9390	0.000	2	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:1:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:P-4:H-1:	C[6]-4:	C[6](P[6]C[6a]C[6]O)(C[6]C[6]HP)(H)2	C[6](C[6]P[6]HH)(C[6]C[6]Cl)(PC[6a]2O)(H)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]C[6]O)(C[6]C[6]HP)(H)2{1|Cl<1>,2|H<1>,3|C<3>}	C[6](C[6]P[6]HH)(C[6]C[6]Cl)(PC[6a]2O)(H){1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[6]P[6]H)	108.2405	0.023	2	108.2405	0.001	2	108.2405	0.001	2	109.0741	1.079	942	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:2:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6a]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6a]C[6]O)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(OH){1|C<4>,1|O<2>,1|S<2>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	108.5435	0.078	2	108.5435	0.006	2	108.5435	0.006	2	109.0730	0.120	67	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:2:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-2:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CC)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CH3)(CN)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CC)(H)2{2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CH3)(CN){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	108.6710	0.000	1	108.6710	0.000	1	108.6710	0.000	1	109.0730	0.120	67	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:2:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:O-2:	C[6]-4:	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]N[6]CO)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6,6]H)(CCHH)(OC)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]N[6]CO)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6,6]H)(CCHH)(OC){1|C<4>,1|H<1>,2|N<3>}	H(C[6]C[5,6]C[6]H)	109.0330	1.624	2	109.0330	2.636	2	109.0330	2.636	2	109.0730	0.120	67	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CH3)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CH3)(OH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2170	0.023	2	109.2170	0.001	2	109.1567	0.011	3	109.0730	0.120	67	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)(OH){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.0360	0.000	1	109.0360	0.000	1	109.1567	0.011	3	109.0730	0.120	67	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]O)(H)2{2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(OH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3660	0.018	2	109.3660	0.000	2	109.3660	0.000	2	109.0730	0.120	67	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]C[6a]O)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]C[6a]O)(H)2{1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(OH){2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	108.7465	0.050	2	108.7465	0.003	2	108.9860	0.077	4	109.0730	0.120	67	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]C[6a]O)(C[6]C[6,6a]CH)(H)2	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]O)(C[6]C[6,6a]CH)(H)2{1|O<2>,5|C<3>}	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)(OH){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.2255	0.008	2	109.2255	0.000	2	108.9860	0.077	4	109.0730	0.120	67	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]C[6a]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]O)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(OH){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.3565	0.011	2	109.3565	0.000	2	109.3565	0.000	2	109.0730	0.120	67	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(CN)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(CN){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4170	0.024	2	109.4170	0.001	2	109.4170	0.001	2	109.0730	0.120	67	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:N-2:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(NS)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]CN)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(NS){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7660	0.006	2	108.7660	0.000	2	109.0580	0.071	5	109.0730	0.120	67	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:N-2:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(NS)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(NS){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2527	0.029	3	109.2527	0.001	3	109.0580	0.071	5	109.0730	0.120	67	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:	C[6](C[6]C[4]C[6]C)(C[6]C[6]CO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[4]C[6]C)(C[6]C[6]CO)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)(OH){1|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.6625	0.015	2	108.6625	0.000	2	109.0308	0.070	37	109.0730	0.120	67	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]CO)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCCO)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CO)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCCO)(OH){1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.4125	0.019	2	109.4125	0.000	2	109.0308	0.070	37	109.0730	0.120	67	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(OH){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4737	0.083	3	109.4737	0.007	3	109.0308	0.070	37	109.0730	0.120	67	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHN)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHN)(OH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9780	0.017	2	108.9780	0.000	2	109.0308	0.070	37	109.0730	0.120	67	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(OH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8550	0.028	2	108.8550	0.001	2	109.0308	0.070	37	109.0730	0.120	67	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(OH){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2225	0.011	2	109.2225	0.000	2	109.0308	0.070	37	109.0730	0.120	67	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(OC){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1070	0.065	2	109.1070	0.004	2	109.0308	0.070	37	109.0730	0.120	67	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8985	0.030	2	108.8985	0.001	2	109.0308	0.070	37	109.0730	0.120	67	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9590	0.007	2	108.9590	0.000	2	109.0308	0.070	37	109.0730	0.120	67	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|C<2>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(OH){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.0647	0.209	14	109.0647	0.044	14	109.0308	0.070	37	109.0730	0.120	67	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)2(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.6555	0.045	4	108.6555	0.002	4	109.0308	0.070	37	109.0730	0.120	67	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(OH){1|C<4>,1|O<2>,1|S<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.0980	0.021	2	109.0980	0.000	2	109.0980	0.000	2	109.0730	0.120	67	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:O-2:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(OC){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	H(C[6]C[6]2H)	109.6930	0.010	2	109.6930	0.000	2	109.3496	0.099	5	109.0730	0.120	67	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:O-2:	C[6]-4:	C[6](C[6]N[6]CO)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]N[6]CO)2(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(OH){1|C<4>,1|N<3>,1|O<2>,1|S<1>}	H(C[6]C[6]2H)	109.1207	0.021	3	109.1207	0.000	3	109.3496	0.099	5	109.0730	0.120	67	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(CH3)(CCO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]CC)(H)2{1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(CH3)(CCO){2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.5067	0.111	6	108.5067	0.012	6	108.6962	0.131	16	108.6327	2.846	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)(COO){2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.7670	0.095	4	108.7670	0.009	4	108.6962	0.131	16	108.6327	2.846	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CCHH)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CCHH)(COO){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.1215	1.108	2	109.1215	1.228	2	108.6962	0.131	16	108.6327	2.846	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CC[6a]HH)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CC[6a]HH)(COO){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.6970	0.132	4	108.6970	0.017	4	108.6962	0.131	16	108.6327	2.846	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:3:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[4,6]O)(CH3)(CCH)	H(C[6]C[6]2Cl)	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(Cl)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]ClH)(C[6]C[4,6]O)(CH3)(CCH){2|C<4>,3|H<1>}	H(C[6]C[6]2Cl)	106.8980	0.714	2	106.8980	0.510	2	107.3308	0.314	5	108.6327	2.846	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:3:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[5,6]N)(CH3)(CCH)	H(C[6]C[6]2Cl)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]ClH)(C[6]C[5,6]N)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2Cl)	107.8300	0.000	1	107.8300	0.000	1	107.3308	0.314	5	108.6327	2.846	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:3:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6,6]O)(CH3)(CCH)	H(C[6]C[6]2Cl)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]ClH)(C[6]C[6,6]O)(CH3)(CCH){2|C<4>,3|H<1>}	H(C[6]C[6]2Cl)	107.6790	0.000	1	107.6790	0.000	1	107.3308	0.314	5	108.6327	2.846	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:3:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]O)(CH3)(CCH)	H(C[6]C[6]2Cl)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]O)(CH3)(CCH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2Cl)	107.3490	0.000	1	107.3490	0.000	1	107.3308	0.314	5	108.6327	2.846	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:B[6a]-3:C[6]-4:B[5]-3:	C[6]-4:	C[6](C[6]C[6,6]B[6a]B[5])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(B[6a]N[6a]2)(C[6]C[6]HH)(B[5]O[5]2)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]B[6a]B[5])(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(B[6a]N[6a]2)(C[6]C[6]HH)(B[5]O[5]2){2|C<3>,5|C<4>,7|H<1>}	H(C[6]C[6]2H)	109.4500	0.024	2	109.4500	0.001	2	109.4500	0.001	2	108.6327	2.846	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[5a]C[5a]N[5a])(C[6]C[6]HH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6]C[6,6]N[6]H)(C[5a]C[5a]N[5a])(C[6]C[6]HH)(COO){3|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.5077	0.197	10	108.6144	0.094	12	108.6144	0.094	12	108.6327	2.846	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[5a]C[5a]N[5a])(C[6]C[6]HH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6]C[6,6]N[6]H)(C[5a]C[5a]N[5a])(C[6]C[6]HH)(COO){3|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.1480	0.008	2	108.6144	0.094	12	108.6144	0.094	12	108.6327	2.846	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	108.8950	0.008	2	108.7540	0.027	4	108.8734	0.228	37	108.6327	2.846	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.6130	0.030	2	108.7540	0.027	4	108.8734	0.228	37	108.6327	2.846	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(CCO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(CCO){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3985	0.025	2	109.3985	0.001	2	108.8734	0.228	37	108.6327	2.846	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1925	0.012	2	109.1925	0.000	2	108.8734	0.228	37	108.6327	2.846	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(COO){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.4253	0.517	3	108.4253	0.268	3	108.8734	0.228	37	108.6327	2.846	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(CHHN)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(CHHN)(COO){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2765	0.015	2	109.2765	0.000	2	108.8734	0.228	37	108.6327	2.846	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|I<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7355	0.022	2	108.5218	0.217	5	108.8734	0.228	37	108.6327	2.846	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7640	0.000	1	108.5218	0.217	5	108.8734	0.228	37	108.6327	2.846	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.1870	0.701	2	108.5218	0.217	5	108.8734	0.228	37	108.6327	2.846	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(COO){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7465	0.868	2	108.7465	0.753	2	108.8734	0.228	37	108.6327	2.846	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(COO){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7700	0.011	2	108.7700	0.000	2	108.8734	0.228	37	108.6327	2.846	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(CCH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9267	0.100	3	108.9267	0.010	3	108.8734	0.228	37	108.6327	2.846	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(COO){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9205	0.006	2	108.9205	0.000	2	108.8734	0.228	37	108.6327	2.846	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(COO){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6380	0.010	2	109.6380	0.000	2	108.8734	0.228	37	108.6327	2.846	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)(COO){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.4862	0.557	4	108.4862	0.310	4	108.8734	0.228	37	108.6327	2.846	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCHH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCHH)(COO){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4535	0.360	2	109.4535	0.130	2	108.8734	0.228	37	108.6327	2.846	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(CNO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(CNO){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	108.9490	0.013	2	108.9490	0.000	2	108.8734	0.228	37	108.6327	2.846	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(NHS)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]CN)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(NHS){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9025	0.039	2	108.9025	0.002	2	109.2808	0.120	10	108.6327	2.846	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)(NHS)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)(NHS){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8035	0.015	2	109.8035	0.000	2	109.2808	0.120	10	108.6327	2.846	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(NOO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(NOO){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9730	0.051	2	108.9730	0.003	2	109.2808	0.120	10	108.6327	2.846	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(NCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(NCH){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4370	0.049	2	109.4370	0.002	2	109.2808	0.120	10	108.6327	2.846	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(NHH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(NHH){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2880	0.013	2	109.2880	0.000	2	109.2808	0.120	10	108.6327	2.846	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:S-4:C-3:	C[6]-4:	C[6](C[6]C[6]CS)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(SC[6a]OO)(CCO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CS)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(SC[6a]OO)(CCO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	110.3455	0.005	2	110.3455	0.000	2	110.3455	0.000	2	108.6327	2.846	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]2)(C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]2)(C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]O){1|O<1>,1|O<2>,2|C<4>,4|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.5970	0.077	4	109.5970	0.006	4	109.5970	0.006	4	108.6327	2.846	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)(CHH){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	98.2978	1.972	2	98.2978	3.889	2	103.9847	44.417	4	108.6327	2.846	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-3:	C[6]-4:	C[6](C[6]N[6]CC)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(COO)	H(C[6]C[6]2H)	C[6](C[6]N[6]CC)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(COO){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.6715	0.028	2	109.6715	0.001	2	103.9847	44.417	4	108.6327	2.846	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CH3)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(H)2{1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	107.8750	0.000	1	107.8750	0.000	1	107.9710	0.007	3	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[5,6]N[5,6]N[5]C)(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(CH3)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]N[5]C)(C[6]C[6]CC)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(CH3)2{1|C<4>,1|N<2>,2|N<3>}	H(C[6]C[5,6]C[6]H)	108.0190	0.017	2	108.0190	0.000	2	107.9710	0.007	3	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]N[6]CC)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]O)(CH3)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]N[6]CC)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]O)(CH3)2{1|C<3>,1|N<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.0531	1.564	7	108.0531	2.445	7	108.2304	1.957	9	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[5,6]N[5,5,6]C[5]O)(C[6]N[6]CC)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[5,6]H)(CH3)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5]O)(C[6]N[6]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[5,6]H)(CH3)2{1|C<4>,1|O<2>,2|N<3>}	H(C[6]C[5,6]C[6]H)	108.8510	0.010	2	108.8510	0.000	2	108.2304	1.957	9	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3)2{1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	106.9400	0.922	2	106.9400	0.850	2	108.1532	0.411	12	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|N<3>,2|C<3>,2|O<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CH3)2{1|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.4240	0.020	2	108.4240	0.000	2	108.1532	0.411	12	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{2|C<4>,3|O<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.2965	0.101	4	108.2965	0.010	4	108.1532	0.411	12	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)2{1|C<3>,1|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]H)	108.4810	0.115	4	108.4810	0.013	4	108.1532	0.411	12	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]N[6]CC)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]O)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]N[6]CC)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(N[6]C[6]O)(CH3)2{2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.1384	0.206	8	108.1384	0.042	8	108.2075	0.075	18	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6]S[6]2)(C[6]N[6]CC)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]S[6]2)(C[6]N[6]CC)(H)2{3|C<4>,3|H<1>,4|O<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(CH3)2{2|S<4>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.4620	0.251	4	108.4620	0.063	4	108.2075	0.075	18	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6]S[6]2)(C[6]N[6]CC)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]O)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]S[6]2)(C[6]N[6]CC)(H)2{2|H<1>,3|C<4>,5|O<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]O)(CH3)2{2|S<4>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.1300	0.303	6	108.1300	0.092	6	108.2075	0.075	18	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[3]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[3]C[3]O[3]H)(C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[3]C[3]O[3]H)(C[6]C[6,6]H)(C[6]C[6]HH)(CH3){2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9698	0.083	5	108.9698	0.007	5	108.9698	0.007	5	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[5]C[5]2Re)(C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]C)(C[6]C[6,6]HH)(H)2{1|Re<8>,1|C<3>,1|H<1>,4|C<4>}	C[6](C[5]C[5]2Re)(C[6]C[6,6]H)(C[6]C[6]HH)(CH3){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4785	0.039	2	109.4785	0.002	2	109.4785	0.002	2	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[5a]N[5a]S[5a])(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(H)2{1|N<2>,1|S<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5a]N[5a]S[5a])(C[6]C[6]HH)(CH3){1|N<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1660	0.070	4	109.1660	0.005	4	109.1660	0.005	4	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[3,6]CC)(C[6]C[6]CC)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]CC)(C[6]C[6]CC)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.4580	0.007	2	108.4580	0.000	2	108.7328	0.374	119	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6]HO)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6]HO)(CH3){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	107.1370	0.091	2	107.1370	0.008	2	108.7328	0.374	119	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]CC)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8731	0.073	10	108.8731	0.005	10	108.7328	0.374	119	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(CH3){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.3723	0.044	6	108.3723	0.002	6	108.7328	0.374	119	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]O)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]O)(CH3)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.1953	0.125	4	109.1953	0.016	4	108.7328	0.374	119	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(CH3){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.8155	0.011	2	109.0090	0.051	4	108.7328	0.374	119	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(CH3){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2025	0.059	2	109.0090	0.051	4	108.7328	0.374	119	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2100	0.000	1	108.6815	0.258	35	108.7328	0.374	119	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9660	0.048	2	108.6815	0.258	35	108.7328	0.374	119	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.7011	0.082	8	108.6815	0.258	35	108.7328	0.374	119	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.8700	0.969	2	108.6815	0.258	35	108.7328	0.374	119	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.9750	0.016	2	108.6815	0.258	35	108.7328	0.374	119	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7706	0.505	20	108.6815	0.258	35	108.7328	0.374	119	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)2{1|C<4>,1|I<1>,2|H<1>}	H(C[6]C[6]2H)	109.1600	0.045	4	109.1600	0.002	4	108.7328	0.374	119	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0710	0.000	1	109.0710	0.000	1	108.7328	0.374	119	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(CH3){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.4560	0.049	2	108.4560	0.002	2	108.7328	0.374	119	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(CCHH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(CCHH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5418	1.895	6	108.5418	3.592	6	108.7328	0.374	119	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0417	0.040	8	109.1264	0.416	10	108.7328	0.374	119	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4650	1.855	2	109.1264	0.416	10	108.7328	0.374	119	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8490	0.054	2	108.8490	0.003	2	108.7328	0.374	119	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(CC[6a]HH)(CCHH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(CC[6a]HH)(CCHH){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6730	0.047	2	108.6730	0.002	2	108.7328	0.374	119	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	109.2640	0.000	1	109.2640	0.000	1	108.7328	0.374	119	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	108.7365	0.039	2	108.7365	0.002	2	108.7328	0.374	119	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<2>,1|C<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.0550	0.162	3	108.8908	0.016	15	108.7328	0.374	119	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<2>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	108.8498	0.076	12	108.8908	0.016	15	108.7328	0.374	119	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|Cl<1>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.1450	0.006	2	108.1450	0.000	2	108.7328	0.374	119	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]N[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)2{1|C<3>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	107.9315	0.006	2	107.9315	0.000	2	108.7328	0.374	119	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]C)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]HH)(C[6]N[6]C)(CH3)2{1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	108.6770	0.008	2	108.6770	0.000	2	108.7328	0.374	119	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]Ir)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)2(H)2{1|Ir<6>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]Ir)(CH3)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.6230	0.000	1	108.6230	0.000	1	108.7328	0.374	119	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)2(H)2{1|Cl<1>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.4935	0.057	2	108.4925	0.001	4	108.7328	0.374	119	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)2(H)2{1|Ir<6>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.4915	0.005	2	108.4925	0.001	4	108.7328	0.374	119	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:Si-4:	C[6]-4:	C[6](C[6]C[6]SiC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]HH)(SiC3)	H(C[6]C[6]2H)	C[6](C[6]C[6]SiC)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]HH)(SiC3){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.5255	0.035	2	108.5255	0.001	2	108.5255	0.001	2	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]N[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	107.9280	0.006	2	107.9280	0.000	2	108.7032	1.010	858	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.5958	0.229	12	108.5958	0.052	12	108.7032	1.010	858	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]Al)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Al<2>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]Al)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.8086	0.161	8	108.7906	0.024	12	108.7032	1.010	858	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]Al)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Al<4>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]Al)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.7545	0.160	4	108.7906	0.024	12	108.7032	1.010	858	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|B<2>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.8991	0.095	8	108.8228	0.058	23	108.7032	1.010	858	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|B<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.7821	0.287	15	108.8228	0.058	23	108.7032	1.010	858	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<2>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.6972	0.145	8	108.6681	0.046	47	108.7032	1.010	858	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.4619	0.132	17	108.6681	0.046	47	108.7032	1.010	858	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.8168	0.147	22	108.6681	0.046	47	108.7032	1.010	858	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]Cd)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Cd<2>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]Cd)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0594	0.065	7	109.0594	0.004	7	108.7032	1.010	858	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9240	0.193	4	108.9240	0.037	4	108.7032	1.010	858	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]Li)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Li<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]Li)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2095	0.013	4	109.2095	0.000	4	108.7032	1.010	858	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]Mg)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Mg<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]Mg)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9907	0.209	8	108.9907	0.044	8	108.7032	1.010	858	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	105.7685	2.135	2	108.6698	1.305	314	108.7032	1.010	858	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.7453	0.157	41	108.6698	1.305	314	108.7032	1.010	858	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.6798	1.195	271	108.6698	1.305	314	108.7032	1.010	858	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,1|P<2>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.7815	0.104	25	108.6677	0.346	42	108.7032	1.010	858	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,1|P<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.5005	0.905	17	108.6677	0.346	42	108.7032	1.010	858	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]Re)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Re<4>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]Re)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.7090	0.000	1	108.7090	0.000	1	108.7032	1.010	858	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]Si)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Si<4>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]Si)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.7338	0.131	4	108.7481	0.009	7	108.7032	1.010	858	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]Si)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Si<5>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]Si)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.7673	0.039	3	108.7481	0.009	7	108.7032	1.010	858	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	109.0279	0.142	8	109.0279	0.020	8	108.7032	1.010	858	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6]2H)	108.4850	1.764	2	108.6247	1.999	177	108.7032	1.010	858	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|N<2>,3|C<4>}	H(C[6]C[6]2H)	108.5704	1.895	67	108.6247	1.999	177	108.7032	1.010	858	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	108.5445	1.088	89	108.6247	1.999	177	108.7032	1.010	858	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|N<4>,3|C<4>}	H(C[6]C[6]2H)	109.2468	0.142	15	108.6247	1.999	177	108.7032	1.010	858	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	109.0535	0.122	4	108.6247	1.999	177	108.7032	1.010	858	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.8918	0.137	13	108.8918	0.019	13	108.7032	1.010	858	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.8945	0.021	2	108.8945	0.000	2	108.7032	1.010	858	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.8350	0.064	2	108.7888	0.427	159	108.7032	1.010	858	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.7882	0.658	157	108.7888	0.427	159	108.7032	1.010	858	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]N[6]CC)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]N[6]CC)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.3203	0.075	8	109.3203	0.006	8	108.7032	1.010	858	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]N[6]CC)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]N[6]CC)2(H)2{1|C<3>,2|O<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|C<3>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	108.0225	0.620	8	108.0225	0.384	8	108.7032	1.010	858	108.6896	0.916	1032	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	B[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[5,6]N[6]O[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]B[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]B[5,6]C[6]H)	C[6](B[5,6]N[6]O[5]2)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6]B[5,6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|H<1>,2|O<2>}	H(C[6]B[5,6]C[6]H)	109.1160	1.916	2	109.1160	3.672	2	109.1160	3.672	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	B[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[6,6]N[6,6]C[6]Cr)(C[6]C[6]HH)(H)2	C[6](C[6]B[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]B[6,6]C[6]H)	C[6](B[6,6]N[6,6]C[6]Cr)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C[6](C[6]B[6,6]HH)(C[6]C[6]HH)(H)2{1|Cr<9>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]B[6,6]C[6]H)	108.7505	0.039	4	108.7505	0.002	4	108.8813	1.017	6	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	B[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[6,6]N[6]O[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]B[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]B[6,6]C[6]H)	C[6](B[6,6]N[6]O[6]2)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6]B[6,6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|H<1>,2|O<2>}	H(C[6]B[6,6]C[6]H)	109.1430	2.208	2	109.1430	4.873	2	108.8813	1.017	6	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[6]C[6a]2P[6])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]B[6]HH)(H)2	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2P[6])(C[6]C[5,6]HH)(H)2{1|Fe<10>,2|C<4>,6|C<3>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]B[6]HH)(H)2{1|H<1>,1|P<4>,2|C<3>,2|C<4>}	H(C[6]B[6]C[6]H)	108.7935	0.035	2	108.7935	0.001	2	108.7935	0.001	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[6]C[5,6]C[6a]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]B[6]HH)(H)2	H(C[6]B[6]C[6]H)	C[6](B[6]C[5,6]C[6a]2)(C[6]C[6]HH)(H)2{1|Ir<10>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]B[6]HH)(H)2{1|Ir<10>,2|C<3>,2|C<4>}	H(C[6]B[6]C[6]H)	109.1732	0.030	4	109.2514	0.007	8	109.6060	2.254	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[6]C[5,6]C[6a]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]B[6]HH)(H)2	H(C[6]B[6]C[6]H)	C[6](B[6]C[5,6]C[6a]2)(C[6]C[6]HH)(H)2{1|Zr<15>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]B[6]HH)(H)2{1|Zr<15>,2|C<3>,2|C<4>}	H(C[6]B[6]C[6]H)	109.3295	0.009	4	109.2514	0.007	8	109.6060	2.254	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[6]C[6a]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|P<4>,2|C<3>}	H(C[6]B[6]C[6]H)	108.7695	0.028	2	108.7695	0.001	2	109.6060	2.254	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[6]C[6a]2O[6])(C[6]C[6]HH)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2O[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>}	H(C[6]B[6]C[6]H)	109.6290	0.008	2	109.6290	0.000	2	109.6060	2.254	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[6]N[6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2	H(C[6]B[6]C[6]H)	C[6](B[6]N[6]HH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	H(C[6]B[6]C[6]H)	108.7425	0.634	2	110.0505	7.965	6	109.6060	2.254	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[6]N[6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2	H(C[6]B[6]C[6]H)	C[6](B[6]N[6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	H(C[6]B[6]C[6]H)	111.9695	5.014	2	110.0505	7.965	6	109.6060	2.254	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[6]N[6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2	H(C[6]B[6]C[6]H)	C[6](B[6]N[6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	H(C[6]B[6]C[6]H)	109.4395	1.658	2	110.0505	7.965	6	109.6060	2.254	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[6]N[6]OO)(C[6]C[6]HH)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2	H(C[6]B[6]C[6]H)	C[6](B[6]N[6]OO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|H<1>,2|O<2>}	H(C[6]B[6]C[6]H)	110.0553	1.009	4	110.0553	1.018	4	109.6060	2.254	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	B[6]-4:C[6]-4:H-1:H-1:	P[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[6]C[6a]2N[6])(C[6]P[6,6]HH)(H)2	C[6](P[6,6]C[6,6]C[6a]C[6])(C[6]B[6]HH)(H)2	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2N[6])(C[6]P[6,6]HH)(H)2{1|C<4>,7|C<3>}	C[6](P[6,6]C[6,6]C[6a]C[6])(C[6]B[6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>,4|C<3>}	H(C[6]B[6]C[6]H)	108.6850	0.065	2	108.6850	0.004	2	107.9566	0.219	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	B[6]-4:C[6]-4:H-1:H-1:	P[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[6]C[6a]2O[6])(C[6]P[6,6]HH)(H)2	C[6](P[6,6]C[6,6]C[6a]C[6])(C[6]B[6]HH)(H)2	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2O[6])(C[6]P[6,6]HH)(H)2{1|C<4>,6|C<3>}	C[6](P[6,6]C[6,6]C[6a]C[6])(C[6]B[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>,4|C<3>}	H(C[6]B[6]C[6]H)	107.9015	0.088	4	107.9015	0.008	4	107.9566	0.219	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	B[6]-4:C[6]-4:H-1:H-1:	P[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[6]C[6a]2O[6])(C[6]P[6,6]HH)(H)2	C[6](P[6,6]S[6,6]C[6a]C[6])(C[6]B[6]HH)(H)2	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2O[6])(C[6]P[6,6]HH)(H)2{1|C<4>,1|S<3>,5|C<3>}	C[6](P[6,6]S[6,6]C[6a]C[6])(C[6]B[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>,4|C<3>}	H(C[6]B[6]C[6]H)	108.0102	0.285	4	108.0102	0.081	4	107.9566	0.219	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	B[6]-4:C[6]-4:H-1:H-1:	P[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[6]C[6a]2S[6])(C[6]P[6,6]HH)(H)2	C[6](P[6,6]C[6,6]C[6a]C[6])(C[6]B[6]HH)(H)2	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2S[6])(C[6]P[6,6]HH)(H)2{1|C<4>,6|C<3>}	C[6](P[6,6]C[6,6]C[6a]C[6])(C[6]B[6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>,4|C<3>}	H(C[6]B[6]C[6]H)	107.2310	0.045	2	107.2310	0.002	2	107.9566	0.219	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	B[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[6]C[5,6,6]C[6a]2)(C[6]P[6]HH)(H)2	C[6](P[6]C[5,6,6]C[6a]2)(C[6]B[6]HH)(H)2	H(C[6]B[6]C[6]H)	C[6](B[6]C[5,6,6]C[6a]2)(C[6]P[6]HH)(H)2{1|H<1>,2|C<4>,6|C<3>}	C[6](P[6]C[5,6,6]C[6a]2)(C[6]B[6]HH)(H)2{1|H<1>,2|C<4>,6|C<3>}	H(C[6]B[6]C[6]H)	107.8455	0.040	2	107.8455	0.002	2	108.7049	0.313	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	B[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[6]C[5,6]C[6a]2)(C[6]P[6]HH)(H)2	C[6](P[6]C[5,6]C[6a]2)(C[6]B[6]HH)(H)2	H(C[6]B[6]C[6]H)	C[6](B[6]C[5,6]C[6a]2)(C[6]P[6]HH)(H)2{1|H<1>,2|C<4>,6|C<3>}	C[6](P[6]C[5,6]C[6a]2)(C[6]B[6]HH)(H)2{1|C<4>,1|H<1>,7|C<3>}	H(C[6]B[6]C[6]H)	108.6985	0.019	2	108.6985	0.000	2	108.7049	0.313	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	B[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(H)2	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2{1|C<4>,2|H<1>,6|C<3>}	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,6|C<3>}	H(C[6]B[6]C[6]H)	109.2950	0.000	1	109.4310	0.014	3	108.7049	0.313	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	B[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(H)2	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2{1|P<3>,7|C<3>}	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(H)2{8|C<3>}	H(C[6]B[6]C[6]H)	109.4990	0.024	2	109.4310	0.014	3	108.7049	0.313	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	B[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2	C[6](P[6]C[6a]C[6]H)(C[6]B[6]HH)(H)2	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2{1|C<4>,3|H<1>,5|C<3>}	C[6](P[6]C[6a]C[6]H)(C[6]B[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]B[6]C[6]H)	108.4440	0.519	8	108.5817	0.406	9	108.7049	0.313	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	B[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2	C[6](P[6]C[6a]C[6]H)(C[6]B[6]HH)(H)2	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2{2|H<1>,6|C<3>}	C[6](P[6]C[6a]C[6]H)(C[6]B[6]HH)(H)2{6|C<3>}	H(C[6]B[6]C[6]H)	109.6830	0.000	1	108.5817	0.406	9	108.7049	0.313	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	B[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(H)2	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2{1|C<4>,6|C<3>}	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(H)2{1|H<1>,1|O<2>,7|C<3>}	H(C[6]B[6]C[6]H)	108.8470	0.037	4	108.8470	0.001	4	108.7049	0.313	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	B[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2	C[6](P[6]C[6a]2N[6])(C[6]B[6]HH)(H)2	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2{1|N<3>,6|C<3>}	C[6](P[6]C[6a]2N[6])(C[6]B[6]HH)(H)2{1|O<2>,7|C<3>}	H(C[6]B[6]C[6]H)	108.7520	0.018	2	108.7520	0.000	2	108.7049	0.313	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,5,5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3,5,5,6,6]C[6]H)	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6]C[6]HH)(H)2{1|Sn<4>,1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[3,5,5,6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[3,5,5,6,6]C[6]H)	111.0298	1.368	4	111.0298	1.872	4	111.0298	1.872	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,5,6,6]C[3,3x6]C[3,5,6]C[5,6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,5,6,6]HH)(H)2	H(C[6]C[3,5,6,6]C[6]H)	C[6](C[3,5,6,6]C[3,3x6]C[3,5,6]C[5,6])(C[6]C[6,6]HH)(H)2{4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,5,6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[3,5,6,6]C[6]H)	108.7472	0.132	5	108.7472	0.017	5	108.7472	0.017	5	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,5,6]HH)(H)2	H(C[6]C[3,5,6]C[6]H)	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[5,6]HH)(H)2{1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,5,6]HH)(H)2{1|O<2>,5|C<4>}	H(C[6]C[3,5,6]C[6]H)	108.2540	0.010	2	108.4585	1.840	6	108.5511	1.593	7	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,5,6]HH)(H)2	H(C[6]C[3,5,6]C[6]H)	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[5,6]HH)(H)2{2|O<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,5,6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[3,5,6]C[6]H)	108.5607	1.739	4	108.4585	1.840	6	108.5511	1.593	7	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,5,6]C[3,5]C[3,6]N[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[3,5,6]HH)(H)2	H(C[6]C[3,5,6]C[6]H)	C[6](C[3,5,6]C[3,5]C[3,6]N[5])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[3,5,6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[3,5,6]C[6]H)	109.1070	0.000	1	109.1070	0.000	1	108.5511	1.593	7	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[3,5,6]HH)(H)2	H(C[6]C[3,5,6]C[6]H)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[3,5,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[3,5,6]C[6]H)	109.5475	0.018	2	109.5475	0.000	2	109.4857	0.005	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,5,6]HH)(H)2	H(C[6]C[3,5,6]C[6]H)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,5,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[3,5,6]C[6]H)	109.4240	0.007	2	109.4240	0.000	2	109.4857	0.005	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]2C)(C[6]C[3,6,6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{3|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[3,6,6]C[6]H)	107.6775	0.029	2	107.6775	0.001	2	108.0320	0.915	45	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[3,6,6]C[6]H)	108.2190	0.055	2	107.8380	0.051	30	108.0320	0.915	45	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[3,6,6]C[6]H)	107.8035	0.019	2	107.8380	0.051	30	108.0320	0.915	45	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{3|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[3,6,6]C[6]H)	107.6205	0.049	2	107.8380	0.051	30	108.0320	0.915	45	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{3|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[3,6,6]C[6]H)	107.8272	0.217	24	107.8380	0.051	30	108.0320	0.915	45	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[6]C[5,6]HH)(H)2{7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[3,6,6]C[6]H)	105.9445	0.224	2	105.9445	0.050	2	108.0320	0.915	45	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[3,6,6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[6]C[5,6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[3,6,6]C[6]H)	109.2925	0.958	4	109.2925	0.918	4	108.0320	0.915	45	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[3,6,6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[5,6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|O<2>,5|C<4>}	H(C[6]C[3,6,6]C[6]H)	109.5030	0.033	2	109.3350	0.085	3	108.0320	0.915	45	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[3,6,6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[5,6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[3,6,6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[3,6,6]C[6]H)	108.9990	0.000	1	109.3350	0.085	3	108.0320	0.915	45	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{3|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[3,6,6]C[6]H)	108.4705	2.122	4	108.4705	4.502	4	108.0320	0.915	45	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[5,6]O[3])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6,6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[5,6]O[3])(C[6]C[6,6]HH)(H)2{1|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[3,6,6]C[6]H)	109.3740	0.494	2	109.3740	0.244	2	108.9340	0.662	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[3,6,6]C[6]H)	108.7245	0.029	2	108.7245	0.001	2	108.9340	0.662	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[3,6,6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[3,6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[3,6,6]C[6]H)	109.1980	0.010	2	109.1980	0.000	2	108.9340	0.662	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[3,6,6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HH)(H)2{1|N<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[3,6,6]HH)(H)2{1|H<1>,6|C<4>}	H(C[6]C[3,6,6]C[6]H)	109.1145	0.032	2	109.1145	0.001	2	108.9340	0.662	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,6,6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[3,6,6]C[6]H)	107.5000	0.475	2	107.5000	0.226	2	108.9340	0.662	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[3,6,6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[3,6,6]C[6]H)	108.8275	0.011	2	108.9042	0.011	4	108.9340	0.662	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[3,6,6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[3,6,6]C[6]H)	108.9810	0.096	2	108.9042	0.011	4	108.9340	0.662	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6,6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[3,6,6]C[6]H)	108.7570	0.031	2	108.7570	0.001	2	108.9340	0.662	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]C[3,6,6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6]2O[6])(C[6]C[3,6,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[3,6,6]C[6]H)	109.4100	2.766	2	109.4100	7.652	2	108.9340	0.662	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,6,6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[3,6,6]C[6]H)	109.5030	0.000	1	109.5030	0.000	1	108.9340	0.662	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6,6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6]C[3,6,6]C[6]H)	109.0907	0.119	3	109.0907	0.014	3	108.9340	0.662	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,5,6,6]C[3]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,5,6,6]C[3]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[5,6]HH)(H)2{5|C<4>}	H(C[6]C[3,6,6]C[6]H)	110.2940	0.079	2	110.2940	0.006	2	109.4066	0.290	56	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,5,6,6]C[3]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,5,6,6]C[3]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]N[5,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[3,6,6]C[6]H)	109.0995	0.107	2	109.0995	0.011	2	109.4066	0.290	56	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,3|C<4>}	H(C[6]C[3,6,6]C[6]H)	109.6865	0.019	2	109.5169	0.083	9	109.4066	0.290	56	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|N<3>,4|C<4>,4|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HN)(H)2{5|C<4>}	H(C[6]C[3,6,6]C[6]H)	109.4684	0.314	7	109.5169	0.083	9	109.4066	0.290	56	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[3,6,6]C[6]H)	108.6660	0.016	2	109.6386	0.143	18	109.4066	0.290	56	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	H(C[6]C[3,6,6]C[6]H)	109.7602	0.141	16	109.6386	0.143	18	109.4066	0.290	56	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3,6,6]C[6]H)	108.8295	0.047	2	108.8295	0.002	2	109.4066	0.290	56	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]N[3])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6]N[3])(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,4|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[3,6,6]C[6]H)	108.7570	0.126	4	108.7570	0.016	4	109.4066	0.290	56	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3,6,6]C[6]H)	108.8396	0.063	10	108.8396	0.004	10	109.4066	0.290	56	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[3,6,6]C[6]H)	110.0058	0.730	4	109.8632	0.565	6	109.4066	0.290	56	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[3,6,6]C[6]H)	109.5780	0.990	2	109.8632	0.565	6	109.4066	0.290	56	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[3,6,6]C[6]H)	109.1550	0.000	1	109.1550	0.000	1	109.4066	0.290	56	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3,6,6]C[6]H)	109.7090	0.021	2	109.7090	0.000	2	109.4066	0.290	56	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2{2|Br<1>,1|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,6|C<4>}	H(C[6]C[3,6]C[6]H)	108.8945	0.061	4	108.9610	0.049	15	108.9432	0.493	68	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2{2|Br<1>,1|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{3|H<1>,6|C<4>}	H(C[6]C[3,6]C[6]H)	109.1552	0.228	4	108.9610	0.049	15	108.9432	0.493	68	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{2|Br<1>,1|H<1>,6|C<4>}	H(C[6]C[3,6]C[6]H)	108.5280	0.000	1	108.9610	0.049	15	108.9432	0.493	68	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,6|C<4>}	H(C[6]C[3,6]C[6]H)	108.7210	0.011	2	108.9610	0.049	15	108.9432	0.493	68	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{3|H<1>,6|C<4>}	H(C[6]C[3,6]C[6]H)	109.0615	0.067	4	108.9610	0.049	15	108.9432	0.493	68	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2{2|Br<1>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[3,6]HH)(H)2{1|H<1>,6|C<4>}	H(C[6]C[3,6]C[6]H)	108.5948	0.314	4	108.8135	0.228	6	108.9432	0.493	68	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[3,6]HH)(H)2{1|H<1>,6|C<4>}	H(C[6]C[3,6]C[6]H)	109.2510	0.520	2	108.8135	0.228	6	108.9432	0.493	68	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[3,6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,1|N<3>,5|C<4>}	H(C[6]C[3,6]C[6]H)	108.7815	0.006	2	108.7815	0.000	2	108.9432	0.493	68	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[3,6]C[6]H)	108.4575	0.022	2	108.4622	0.600	10	108.9432	0.493	68	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{2|Br<1>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[3,6]C[6]H)	108.8905	0.104	2	108.4622	0.600	10	108.9432	0.493	68	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[3,6]C[6]H)	108.3210	0.990	6	108.4622	0.600	10	108.9432	0.493	68	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[3,6]HH)(H)2{1|C<7>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[3,6]C[6]H)	107.5435	0.023	2	107.5435	0.001	2	108.9432	0.493	68	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{2|Br<1>,1|H<1>,6|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	108.8915	0.008	2	109.3127	0.094	15	108.9432	0.493	68	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,6|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2{2|Br<1>,1|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	109.0807	0.028	3	109.3127	0.094	15	108.9432	0.493	68	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,6|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	108.9985	0.005	2	109.3127	0.094	15	108.9432	0.493	68	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{3|H<1>,6|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2{2|Br<1>,1|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	109.6008	0.039	4	109.3127	0.094	15	108.9432	0.493	68	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{3|H<1>,6|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	109.5662	0.020	4	109.3127	0.094	15	108.9432	0.493	68	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,1|N<3>,5|C<4>}	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[3,6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	109.1530	0.000	1	109.1530	0.000	1	108.9432	0.493	68	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	108.8185	0.009	2	109.0193	0.526	10	108.9432	0.493	68	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{2|Br<1>,1|H<1>,1|O<2>,5|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	109.6595	0.042	2	109.0193	0.526	10	108.9432	0.493	68	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,1|O<2>,5|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	108.8728	0.861	6	109.0193	0.526	10	108.9432	0.493	68	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[3,6]HH)(H)2{1|H<1>,6|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2{2|Br<1>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[3,6]C[6]H)	109.6657	0.014	3	109.9738	0.179	5	108.9432	0.493	68	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[3,6]HH)(H)2{1|H<1>,6|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[3,6]C[6]H)	110.4360	0.052	2	109.9738	0.179	5	108.9432	0.493	68	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[3,6]HH)(H)2{1|C<7>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[3,6]C[6]H)	107.3320	0.018	2	107.3320	0.000	2	108.9432	0.493	68	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,5,6]HH)(H)2	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,5,6]HH)(H)2{1|C<4>,1|H<1>,2|N<3>}	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[3,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>,4|C<3>}	H(C[6]C[3,6]C[6]H)	110.9705	0.081	2	110.9705	0.007	2	110.9705	0.007	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,5,6]C[6a]C[3])(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[3x5,6,6]C[5,6]H)(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,5,6]C[6a]C[3])(C[6]C[5,6,6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6,6]C[3x5,6,6]C[5,6]H)(C[6]C[3,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	109.3150	1.001	2	109.3150	1.003	2	109.3150	1.003	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[3,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	H(C[6]C[3,6]C[6]H)	107.8670	0.056	4	107.8670	0.003	4	108.0762	0.108	6	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6,6]C[3]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6,6]C[3]H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[3,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	108.4945	0.060	2	108.4945	0.004	2	108.0762	0.108	6	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,4,6]C[3,4]O)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,4,6]C[3,4]O)(C[6]C[6,6]HH)(H)2{1|H<1>,5|C<4>}	C[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[3,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	H(C[6]C[3,6]C[6]H)	108.5080	0.057	2	108.5080	0.003	2	109.1347	1.066	31	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[3,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[3,6]C[6]H)	109.3535	0.054	2	109.3535	0.003	2	109.1347	1.066	31	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6,6]HH)(H)2{2|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[3,6]C[6]H)	109.9877	0.045	3	109.9846	0.001	5	109.1347	1.066	31	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6,6]HH)(H)2{2|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[3,6]C[6]H)	109.9800	0.035	2	109.9846	0.001	5	109.1347	1.066	31	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]HH)(H)2{1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[3,6]C[6]H)	108.2790	0.000	1	108.2790	0.000	1	109.1347	1.066	31	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]S[6]C)(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|S<2>,4|C<4>}	C[6](C[6,6]C[6,6]S[6]C)(C[6]C[3,6]HH)(H)2{1|C<3>,1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	107.7160	3.511	2	107.7160	12.331	2	109.1347	1.066	31	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)2{3|O<2>,5|C<4>}	H(C[6]C[3,6]C[6]H)	108.8510	0.000	1	108.8510	0.000	1	109.1347	1.066	31	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[3,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[3,6]C[6]H)	108.8130	0.212	8	108.8130	0.045	8	109.1347	1.066	31	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[3,6]C[6]H)	109.3952	1.277	6	109.3952	1.630	6	109.1347	1.066	31	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6,6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[3,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6]C[3,6]C[6]H)	109.5410	0.013	2	109.5410	0.000	2	109.1347	1.066	31	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6,6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6]C[3,6]C[6]H)	109.5060	0.034	2	109.5060	0.001	2	109.1347	1.066	31	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,4,6]C[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[4,6]CC)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,4,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[4,6]CC)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[3,6]C[6]H)	108.5843	0.009	3	108.5843	0.000	3	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	108.2635	0.006	2	108.1090	0.078	6	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	108.0318	0.325	4	108.1090	0.078	6	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,5,6]O[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HO)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,5,6]O[3]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[3,6]C[6]H)	108.0683	2.062	4	108.0683	4.253	4	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	102.4085	6.280	2	108.7776	8.818	16	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	109.6874	0.095	14	108.7776	8.818	16	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[3,6]C[6]H)	108.9205	0.030	2	108.8955	0.001	4	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[3,6]C[6]H)	108.8705	0.022	2	108.8955	0.001	4	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[3,6]C[6]H)	108.8830	0.038	2	108.8830	0.001	2	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6,6]C[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6,6]CC)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6,6]C[3]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6,6]CC)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[3,6]C[6]H)	109.1755	0.025	2	109.1755	0.001	2	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6,6]O[3]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6,6]O[3]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6,6]HO)(H)2{1|O<2>,4|C<4>}	H(C[6]C[3,6]C[6]H)	109.0630	0.000	1	109.0630	0.000	1	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6,6]CH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[3,6]C[6]H)	108.8775	0.005	2	108.8775	0.000	2	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2{2|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	108.0025	0.021	2	108.0025	0.000	2	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2{1|C<4>,1|I<1>,4|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	109.2225	0.025	2	109.0290	0.050	4	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2{2|C<3>,4|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	108.8355	0.021	2	109.0290	0.050	4	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2{2|Br<1>,2|C<4>,2|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[3,6]C[6]H)	99.9540	10.523	2	104.3340	35.808	6	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2{2|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[3,6]C[6]H)	108.1195	0.016	2	104.3340	35.808	6	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2{2|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[3,6]C[6]H)	104.9285	0.752	2	104.3340	35.808	6	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,5]C[6]O)(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[3,5]C[6]O)(C[6]C[3,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[3,6]C[6]H)	109.3435	0.013	2	109.3435	0.000	2	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<4>,1|I<1>,2|C<3>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[3,6]C[6]H)	109.2455	0.073	6	109.2170	0.010	13	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[3,6]C[6]H)	108.9610	0.000	1	109.2170	0.010	13	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[3,6]C[6]H)	109.2312	0.070	6	109.2170	0.010	13	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[3,6]C[6]H)	109.0375	0.032	2	109.1021	0.292	31	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	108.3205	0.015	2	109.1021	0.292	31	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[3,6]C[6]H)	109.5195	1.414	2	109.1021	0.292	31	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<2>,2|C<3>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<4>}	H(C[6]C[3,6]C[6]H)	108.7575	0.011	2	109.1021	0.292	31	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,4|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[3,6]C[6]H)	109.0980	0.064	6	109.1021	0.292	31	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	108.9640	0.128	4	109.1021	0.292	31	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|F<1>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[3,6]C[6]H)	108.6255	0.028	2	109.1021	0.292	31	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|I<1>,2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[3,6]C[6]H)	109.1680	0.027	2	109.1021	0.292	31	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|Ti<13>,2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[3,6]C[6]H)	108.9130	0.112	4	109.1021	0.292	31	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{2|Br<1>,1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[3,6]C[6]H)	109.5220	0.000	1	109.1021	0.292	31	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{2|Cl<1>,1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[3,6]C[6]H)	109.9225	0.655	4	109.1021	0.292	31	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]N[6])(C[6]C[6]HH)(H)2{2|F<1>,3|C<4>,4|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	109.1870	0.000	1	109.1870	0.000	1	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[3,6]C[6]H)	109.5985	0.969	2	109.4185	0.356	4	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>}	H(C[6]C[3,6]C[6]H)	109.2385	0.008	2	109.4185	0.356	4	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[3,6]C[6]H)	110.1835	0.394	2	109.3932	0.443	6	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[3,6]C[6]H)	108.9980	0.250	4	109.3932	0.443	6	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[3,6]C[6]H)	108.3500	0.000	1	108.7400	0.116	3	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	108.9350	0.058	2	108.7400	0.116	3	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[3,6]C[6]H)	109.0220	0.031	2	109.0220	0.001	2	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[3,6]C[6]H)	110.7110	2.475	2	108.8551	2.000	10	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[3,6]C[6]H)	108.9830	0.769	2	108.8551	2.000	10	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	H(C[6]C[3,6]C[6]H)	108.1938	0.590	6	108.8551	2.000	10	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]2C)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]2C)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[3,6]C[6]H)	109.1090	0.000	1	109.1090	0.000	1	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CC)(H)2{1|C<4>,1|O<2>,1|S<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	109.1875	0.015	2	109.1875	0.000	2	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[3,6]C[6]H)	108.8567	1.101	6	108.8567	1.213	6	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]P[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]P[3]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,1|W<6>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[3,6]C[6]H)	108.7720	0.220	4	108.7720	0.048	4	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]2H)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{2|C<4>,2|F<1>,5|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]2H)(H)2{3|H<1>,5|C<4>}	H(C[6]C[3,6]C[6]H)	109.4530	0.059	4	109.4530	0.003	4	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{2|Cl<1>,1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	109.0955	0.535	2	109.3984	0.136	10	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{2|Cl<1>,2|H<1>,5|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{1|B<3>,1|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	109.5332	0.353	6	109.3984	0.136	10	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{2|Cl<1>,2|H<1>,5|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[3,6]C[6]H)	109.2970	0.037	2	109.3984	0.136	10	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,6|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	109.4530	0.142	4	109.4530	0.020	4	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[6]C[3,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[3,6]C[6]H)	110.0430	0.000	1	110.0430	0.000	1	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[3,6]C[6]H)	109.7740	0.011	2	109.7740	0.000	2	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	109.5705	0.005	2	109.5705	0.000	2	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[5a,6]C[3]O[3])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HO)(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[5a,6]C[3]O[3])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]C[5a,6]HO)(C[6]C[3,6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>}	H(C[6]C[3,6]C[6]H)	108.9185	0.006	2	108.9185	0.000	2	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[3,6]C[6]H)	109.9960	0.160	2	109.9960	0.026	2	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[6,6a]C[3]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[6,6a]C[3]2)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[3,6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[3,6]C[6]H)	109.3870	0.034	2	109.3870	0.001	2	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[6]O[3]P[3])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[6]O[3]P[3])(C[6]C[6]HH)(H)2{1|W<6>,2|C<4>,4|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,1|P<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	109.3764	0.326	7	109.3764	0.106	7	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]Nb[3]C[6]N[3])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]Nb[3]C[6]N[3])(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,5|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|Nb<5>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[3,6]C[6]H)	109.2735	0.134	4	109.2735	0.018	4	108.8918	2.937	177	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]N[6]HH)(H)2	C[6](C[6]C[3,6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[3,6]HH)(N[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[3,6]C[6]H)	108.7585	0.028	2	108.7585	0.001	2	108.7585	0.001	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]P[6]HH)(H)2	C[6](P[6]C[6a]2C[6])(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]P[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](P[6]C[6a]2C[6])(C[6]C[3,6]HH)(H)2{1|H<1>,2|C<4>,5|C<3>}	H(C[6]C[3,6]C[6]H)	109.8805	0.046	2	109.8805	0.002	2	109.8805	0.002	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x5,3x6]C[3x5,3x6]2C[5,5])(C[6]C[6]HH)(H)2	C[6](C[6]C[3x5,3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3x5,3x6]C[6]H)	C[6](C[3x5,3x6]C[3x5,3x6]2C[5,5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|H<1>,5|C<4>}	C[6](C[6]C[3x5,3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[3x5,3x6]C[6]H)	109.4917	0.079	4	109.4917	0.006	4	109.4917	0.006	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3x5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3x5,6,6]C[6]H)	C[6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[5,6])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[3x5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[3x5,6,6]C[6]H)	109.7235	2.326	2	109.7235	5.409	2	109.5963	2.753	3	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[4x5])(C[6]C[6]HH)(H)2	C[6](C[6]C[3x5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3x5,6,6]C[6]H)	C[6](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[4x5])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[3x5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[3x5,6,6]C[6]H)	109.3420	0.000	1	109.3420	0.000	1	109.5963	2.753	3	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x5,6]C[5,5,6]C[5,5]2)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[3x5,6]HH)(H)2	H(C[6]C[3x5,6]C[6]H)	C[6](C[3x5,6]C[5,5,6]C[5,5]2)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[3x5,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,5|C<4>}	H(C[6]C[3x5,6]C[6]H)	110.0810	0.000	1	110.0810	0.000	1	110.0810	0.000	1	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x5,6]C[5,5,6]C[5,5]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[3x5,6]HH)(H)2	H(C[6]C[3x5,6]C[6]H)	C[6](C[3x5,6]C[5,5,6]C[5,5]2)(C[6]C[6,6]HH)(H)2{2|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[3x5,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6]C[3x5,6]C[6]H)	109.9053	0.074	6	109.9053	0.005	6	109.9053	0.005	6	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6,6]HH)(Cl)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[3x6]ClH)(H)2	H(C[6]C[3x6]C[6]Cl)	C[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6,6]HH)(Cl)(H){1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[3x6]ClH)(H)2{8|C<4>}	H(C[6]C[3x6]C[6]Cl)	107.5290	0.000	1	107.5290	0.000	1	107.5290	0.000	1	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[4x6]HH)(H)2	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[3x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[4x6]HH)(H)2{2|C<3>,6|C<4>}	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[3x6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[3x6]C[6]H)	109.1995	0.005	2	109.2440	0.003	4	109.2440	0.003	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[4x6]HH)(H)2	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[3x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[4x6]HH)(H)2{8|C<4>}	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[3x6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]H)	109.2885	0.005	2	109.2440	0.003	4	109.2440	0.003	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[5,4x6]HH)(H)2	C[6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6]C[3x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[5,4x6]HH)(H)2{8|C<4>}	C[6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6]C[3x6]HH)(H)2{5|H<1>,6|C<4>}	H(C[6]C[3x6]C[6]H)	108.8610	0.006	2	108.8610	0.000	2	108.8610	0.000	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,3x6]C[5]C)(C[6]C[3x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,5|C<4>}	C[6](C[5,6]C[5,3x6]C[5]C)(C[6]C[3x6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[3x6]C[6]H)	110.0900	2.844	2	110.0900	8.088	2	109.1459	0.607	44	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3x6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[3x6]C[6]H)	108.7525	0.086	2	108.7525	0.007	2	109.1459	0.607	44	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[3x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|O<2>,3|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[3x6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[3x6]C[6]H)	109.3025	0.036	2	109.3025	0.001	2	109.1459	0.607	44	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[3x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	108.6055	0.040	4	108.6055	0.002	4	109.1459	0.607	44	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[4,3x6]C[3x6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4,3x6]C[3x6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3x6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[3x6]C[6]H)	109.3260	0.050	4	109.3260	0.002	4	109.1459	0.607	44	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[5,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3x6]HH)(H)2{1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[3x6]C[6]H)	109.2835	0.039	2	109.2835	0.002	2	109.1459	0.607	44	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	108.5115	0.064	2	108.8194	0.363	16	109.1459	0.607	44	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	108.8130	0.055	2	108.8194	0.363	16	109.1459	0.607	44	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3x6]C[6]H)	109.0505	0.042	2	108.8194	0.363	16	109.1459	0.607	44	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[3x6]C[6]H)	108.4912	0.569	6	108.8194	0.363	16	109.1459	0.607	44	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[3x6]C[6]H)	109.3533	0.759	4	108.8194	0.363	16	109.1459	0.607	44	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[3x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	109.3695	0.028	2	109.3695	0.001	2	109.1459	0.607	44	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5]C[5,6]O[5])(C[6]C[3x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,5]C[5,6]O[5])(C[6]C[3x6]HH)(H)2{1|N<3>,2|H<1>,3|C<4>,3|O<2>}	H(C[6]C[3x6]C[6]H)	109.6365	0.008	2	109.6405	0.000	4	109.1459	0.607	44	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5]C[5,6]O[5])(C[6]C[3x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<4>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,5]C[5,6]O[5])(C[6]C[3x6]HH)(H)2{1|N<3>,2|H<1>,3|C<4>,3|O<2>}	H(C[6]C[3x6]C[6]H)	109.6445	0.032	2	109.6405	0.000	4	109.1459	0.607	44	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[6]2)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5,6,6]N[5]C)(C[6]C[3x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[6]2)(C[6]C[5,6]HH)(H)2{1|N<3>,1|N<4>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6,6]N[5]C)(C[6]C[3x6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[3x6]C[6]H)	109.4075	0.050	2	109.4075	0.003	2	109.1459	0.607	44	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[5,4x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[3x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,4x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[3x6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[3x6]C[6]H)	109.6527	1.306	4	109.6527	1.707	4	109.1459	0.607	44	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3x6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[3x6]C[6]H)	109.8490	0.011	2	109.8490	0.000	2	109.1399	0.117	15	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[4x6]C[5,6]H)(C[6]C[3x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[4x6]C[5,6]H)(C[6]C[3x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[3x6]C[6]H)	109.2417	0.082	3	109.2417	0.007	3	109.1399	0.117	15	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[3x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[3x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[3x6]C[6]H)	109.1965	0.028	2	109.1965	0.001	2	109.1399	0.117	15	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3x6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[3x6]C[6]H)	109.0405	0.033	4	108.9695	0.014	6	109.1399	0.117	15	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6,6]HH)(H)2{1|O<2>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3x6]HH)(H)2{8|C<4>}	H(C[6]C[3x6]C[6]H)	108.8275	0.069	2	108.9695	0.014	6	109.1399	0.117	15	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[6,6]O[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[3x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]O[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[3x6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[3x6]C[6]H)	108.7325	0.052	2	108.7325	0.003	2	109.1399	0.117	15	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]B[3x6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]B[3x6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,5|C<4>,5|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[3x6]C[6]H)	108.5452	0.670	4	108.5452	0.449	4	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6]HH)(H)2{1|N<2>,4|C<4>,5|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[3x6]C[6]H)	109.1890	0.075	2	108.9537	0.169	3	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,4|C<4>,6|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2{5|C<4>}	H(C[6]C[3x6]C[6]H)	108.4830	0.000	1	108.9537	0.169	3	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6]HH)(H)2{1|N<4>,5|C<4>,5|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HN)(H)2{2|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	108.5583	0.106	7	108.5583	0.011	7	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,6|C<4>}	C[6](C[6]C[3x6]HH)(C[6]N[6]CC)(H)2{1|C<2>,1|C<3>,2|C<4>}	H(C[6]C[3x6]C[6]H)	109.4200	0.000	1	109.1207	0.068	3	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6]HH)(H)2{1|Rh<4>,1|N<3>,2|H<1>,6|C<4>}	C[6](C[6]C[3x6]HH)(C[6]N[6]CC)(H)2{2|C<3>,2|C<4>}	H(C[6]C[3x6]C[6]H)	108.9710	0.035	2	109.1207	0.068	3	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2{1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	110.2333	0.168	3	110.1713	0.131	9	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[3x6]C[6]H)	109.9395	0.028	2	110.1713	0.131	9	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	110.0545	0.598	2	110.1713	0.131	9	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	110.4270	0.598	2	110.1713	0.131	9	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	109.1795	0.039	2	109.1795	0.002	2	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5]C[6]H)(C[6]C[3x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	C[6](C[6]C[5,5]C[6]H)(C[6]C[3x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[3x6]C[6]H)	110.1145	0.008	2	110.1145	0.000	2	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6,6]CH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]CH)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[3x6]C[6]H)	107.6980	0.030	2	107.6980	0.001	2	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[3x6]C[6]H)	109.5480	0.013	2	109.5480	0.000	2	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[3x6]C[6]H)	108.4390	0.033	2	108.4390	0.001	2	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,4|C<4>}	H(C[6]C[3x6]C[6]H)	108.6635	0.039	2	108.6635	0.002	2	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,4|C<4>,6|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	109.8264	1.039	8	109.8264	1.079	8	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	109.1650	0.020	4	109.1650	0.000	4	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HO)(C[6]C[3x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6](C[6]C[3,6]HO)(C[6]C[3x6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[3x6]C[6]H)	109.6490	0.000	1	109.6490	0.000	1	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6,6]CO)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]CO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3x6]C[6]H)	108.7035	0.032	2	108.7035	0.001	2	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[3x6]C[6]H)	108.7657	0.063	6	108.7657	0.004	6	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	109.4425	0.060	2	109.4167	0.006	7	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	109.3250	0.017	2	109.4167	0.006	7	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,3|C<4>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	109.4607	0.055	3	109.4167	0.006	7	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[3x6]C[6]H)	109.2995	0.162	4	110.3749	2.282	12	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[3x6]C[6]H)	110.9126	1.607	8	110.3749	2.282	12	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[3x6]C[6]H)	109.3365	0.013	2	109.3767	0.091	6	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,3|C<4>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3x6]C[6]H)	109.0615	0.033	2	109.3767	0.091	6	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2{1|O<2>,3|C<4>}	H(C[6]C[3x6]C[6]H)	109.7320	0.025	2	109.3767	0.091	6	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[3x6]C[6]H)	108.4750	0.100	4	108.4750	0.010	4	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	108.8300	0.063	4	108.6966	0.023	8	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H)2{1|N<3>,4|C<4>,6|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	108.5632	0.040	4	108.6966	0.023	8	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]O[6]HO)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|O<2>,6|H<1>}	C[6](C[6]C[3x6]HH)(C[6]O[6]HO)(H)2{3|C<4>}	H(C[6]C[3x6]C[6]H)	109.3033	0.054	3	109.3033	0.003	3	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[3x6]C[6]H)	108.8678	0.021	4	108.8678	0.000	4	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]N[6]O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]N[6]O[6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[3x6]C[6]H)	109.2450	0.008	2	109.2450	0.000	2	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]O[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]O[6]2)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|O<2>}	H(C[6]C[3x6]C[6]H)	109.5217	0.020	4	109.5217	0.000	4	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[4,3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6,6]HH)(C[6]C[3x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4,3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[4,6,6]HH)(C[6]C[3x6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	109.1545	1.487	2	109.2152	0.325	8	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[4,3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6,6]HH)(C[6]C[3x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4,3x6]C[6,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[4,6,6]HH)(C[6]C[3x6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	109.2355	0.105	6	109.2152	0.325	8	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]2O)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]2O)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[3x6]C[6]H)	109.0480	0.021	2	108.9763	0.016	3	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]2O)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]2O)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[3x6]C[6]H)	108.8330	0.000	1	108.9763	0.016	3	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<3>,4|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[3x6]C[6]H)	109.5520	0.030	2	109.5520	0.001	2	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	109.4847	0.047	3	109.3453	0.021	13	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[3x6]C[6]H)	109.2792	0.029	4	109.3453	0.021	13	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[3x6]C[6]H)	109.5170	0.057	2	109.3453	0.021	13	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	109.2210	0.116	4	109.3453	0.021	13	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)2(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[3x6]HH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	109.1477	0.060	3	109.1477	0.004	3	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]CH)(C[6]C[3x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]O)(C[6]C[6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[6]C[3x6]CH)(C[6]C[3x6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[3x6]C[6]H)	108.1995	0.005	2	108.1995	0.000	2	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]O)(C[6]C[6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	C[6](C[6]C[3x6]HH)(C[6]N[6,6]HH)(H)2{1|O<2>,3|C<4>}	H(C[6]C[3x6]C[6]H)	109.7530	0.033	2	109.7530	0.001	2	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]N[3x6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,3x6]HH)(C[6]C[3x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]N[3x6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[5,3x6]HH)(C[6]C[3x6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[3x6]C[6]H)	108.5380	0.010	2	108.5380	0.000	2	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[3x6]C[6]H)	109.6845	0.032	2	110.1682	0.141	6	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	110.4100	0.029	4	110.1682	0.141	6	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3x6]C[6]H)	109.6539	0.074	8	109.6539	0.005	8	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6,6]CH)(C[6]C[3x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]N[5,6,6]CH)(C[6]C[3x6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	108.7418	0.982	5	108.8668	0.880	11	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6,6]CH)(C[6]C[3x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]N[5,6,6]CH)(C[6]C[3x6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	108.9710	0.980	6	108.8668	0.880	11	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[5,6]CH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[5,6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3x6]C[6]H)	108.7655	0.025	2	108.7655	0.001	2	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HN)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3x6]C[6]H)	108.5010	0.000	1	108.5010	0.000	1	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]N[5,6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	109.8760	0.000	1	109.8760	0.000	1	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HO)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[3x6]C[6]H)	108.5955	0.037	2	108.5955	0.001	2	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,7|H<1>}	C[6](C[6]C[3x6]HH)(C[6]N[5,6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[3x6]C[6]H)	109.3005	0.011	2	109.3005	0.000	2	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[5,4x6]C[3x6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]CH)(C[6]C[3x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,4x6]C[3x6]C)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	C[6](C[6]C[3x6]CH)(C[6]C[3x6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[3x6]C[6]H)	107.6525	0.016	2	107.6525	0.000	2	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[5,4x6]C[4x6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,4x6]C[4x6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[3x6]C[6]H)	109.3857	0.045	6	109.1909	0.089	10	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[5,4x6]C[4x6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,4x6]C[4x6]O)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[3x6]C[6]H)	108.6615	0.006	2	109.1909	0.089	10	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[5,4x6]C[4x6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,4x6]C[4x6]O)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[3x6]C[6]H)	109.1590	0.000	1	109.1909	0.089	10	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[5,4x6]C[4x6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,4x6]C[4x6]O)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[3x6]C[6]H)	109.1130	0.000	1	109.1909	0.089	10	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[5,6,6]C[3x6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,6,6]C[3x6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	109.6943	0.072	3	109.6943	0.005	3	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[6,6,6a]C[5a,6]C[3x6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[3x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6,6a]C[5a,6]C[3x6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,6|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[3x6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[3x6]C[6]H)	109.2755	0.005	2	109.2755	0.000	2	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[3x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[3x6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[3x6]C[6]H)	109.3465	0.025	2	109.3465	0.001	2	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[6,6,6a]C[6,6a]C[3x6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[3x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6,6a]C[6,6a]C[3x6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,6|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[3x6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[3x6]C[6]H)	109.3054	0.070	16	109.3054	0.005	16	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[3x6]C[6]H)	108.2634	0.280	10	108.2634	0.078	10	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[3x6]C[6]H)	109.2530	0.103	2	109.0220	0.059	9	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3x6]C[6]H)	109.3320	0.000	1	109.0220	0.059	9	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[3x6]C[6]H)	109.0970	0.004	2	109.0220	0.059	9	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[3x6]C[6]H)	108.8815	0.074	2	109.0220	0.059	9	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[3x6]C[6]H)	108.7015	0.011	2	109.0220	0.059	9	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[6,6]N[6,6]O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]N[6,6]O[6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[3x6]C[6]H)	109.5930	0.178	3	109.5930	0.032	3	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[6,6]O[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]O[6,6]C[6])(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3x6]C[6]H)	108.7115	0.006	2	108.7115	0.000	2	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[6,6]O[6,6]O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]O[6,6]O[6])(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[3x6]C[6]H)	109.2025	0.052	2	109.2025	0.003	2	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[3x6]C[6]H)	109.1757	0.146	6	109.1757	0.021	6	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]N[6,6]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]N[6,6]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,3|C<4>,4|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[3x6]C[6]H)	109.0880	0.056	4	109.0880	0.003	4	109.2080	0.525	248	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2{2|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	109.1683	0.036	4	109.1877	0.003	6	109.2139	0.007	7	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CH)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2{3|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[3x6]C[6]H)	109.2265	0.073	2	109.1877	0.003	6	109.2139	0.007	7	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CN)(H)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2{1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CN)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	109.3710	0.000	1	109.3710	0.000	1	109.2139	0.007	7	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,3x5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,3x5,6]C[4,5,5,6,6]C[3x5,6]C[4,5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,3x5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,3x5,6]C[6]H)	C[6](C[4,3x5,6]C[4,5,5,6,6]C[3x5,6]C[4,5,6])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[4,3x5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[4,3x5,6]C[6]H)	109.7055	1.330	2	109.7055	1.769	2	109.2378	29.230	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,3x5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,3x5,6]C[4,5,5,6,6]C[3x5,6]C[4,5])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,3x5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,3x5,6]C[6]H)	C[6](C[4,3x5,6]C[4,5,5,6,6]C[3x5,6]C[4,5])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[4,3x5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[4,3x5,6]C[6]H)	108.7700	9.222	2	108.7700	85.047	2	109.2378	29.230	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,3x6]C[4,6,6]C[4,6]C[6,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,3x6]C[6]H)	C[6](C[4,3x6]C[4,6,6]C[4,6]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[4,3x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[4,3x6]C[6]H)	109.8350	0.006	2	109.8350	0.000	2	109.5465	0.112	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,3x6]C[6,6,6a]C[4,6,6]C[4,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,3x6]C[6]H)	C[6](C[4,3x6]C[6,6,6a]C[4,6,6]C[4,6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[4,3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[4,3x6]C[6]H)	109.2580	0.040	2	109.2580	0.002	2	109.5465	0.112	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,4,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,4,5,6]C[4,5,6]N[3,4,4]C[4,5])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,4,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,4,5,6]C[6]H)	C[6](C[4,4,5,6]C[4,5,6]N[3,4,4]C[4,5])(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[4,4,5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[4,4,5,6]C[6]H)	109.2340	0.042	2	109.2340	0.002	2	109.2340	0.002	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,5,3x6]C[4,5,5,6]C[4,6,6]C[5,6,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,5,3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,5,3x6]C[6]H)	C[6](C[4,5,3x6]C[4,5,5,6]C[4,6,6]C[5,6,6])(C[6]C[6]HH)(H)2{1|Cl<1>,4|C<4>,5|H<1>}	C[6](C[6]C[4,5,3x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[4,5,3x6]C[6]H)	109.0192	0.048	5	109.0192	0.002	5	109.0192	0.002	5	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,5,5,6,6]C[4,3x5,6]C[4,5,5,6]C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,5,5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,5,5,6,6]C[6]H)	C[6](C[4,5,5,6,6]C[4,3x5,6]C[4,5,5,6]C[5,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[4,5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[4,5,5,6,6]C[6]H)	111.6970	7.405	2	111.6970	54.831	2	110.5400	20.102	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5,6]C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,5,5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,5,5,6,6]C[6]H)	C[6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5,6]C[5,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[4,5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[4,5,5,6,6]C[6]H)	109.3830	0.345	2	109.3830	0.119	2	110.5400	20.102	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,5,5,6]C[4,5,6]C[4,5]C[5,5])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,5,5,6]C[6]H)	C[6](C[4,5,5,6]C[4,5,6]C[4,5]C[5,5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[4,5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[4,5,5,6]C[6]H)	109.8390	2.537	2	109.8390	6.437	2	109.8390	6.437	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,5,6,6]C[6]H)	C[6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[5,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[6]C[4,5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[4,5,6,6]C[6]H)	109.0553	0.268	4	109.0553	0.072	4	109.1146	0.071	5	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,5,6,6]C[4,5,6]C[4,6]N[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,5,6,6]C[6]H)	C[6](C[4,5,6,6]C[4,5,6]C[4,6]N[5,6])(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[4,5,6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[4,5,6,6]C[6]H)	109.3520	0.000	1	109.3520	0.000	1	109.1146	0.071	5	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,5,6]C[4,5,6]C[5,6]C[4])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4,5,6]HH)(H)2	H(C[6]C[4,5,6]C[6]H)	C[6](C[4,5,6]C[4,5,6]C[5,6]C[4])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4,5,6]HH)(H)2{8|C<4>}	H(C[6]C[4,5,6]C[6]H)	109.9483	0.052	6	109.9483	0.003	6	109.9483	0.003	6	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,5,6]C[4,4,5,6]C[3,4,5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,5,6]C[6]H)	C[6](C[4,5,6]C[4,4,5,6]C[3,4,5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[4,5,6]C[6]H)	109.3910	0.000	1	109.3910	0.000	1	109.4557	0.536	10	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,5,6]C[4,5,5,6]C[4,5,5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,5,6]C[6]H)	C[6](C[4,5,6]C[4,5,5,6]C[4,5,5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[4,5,6]C[6]H)	110.0785	0.030	2	110.0785	0.001	2	109.4557	0.536	10	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,5,6]C[4,5,5,6]C[4,5,5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,5,6]C[6]H)	C[6](C[4,5,6]C[4,5,5,6]C[4,5,5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[4,5,6]C[6]H)	109.7165	1.131	2	109.7165	1.278	2	109.4557	0.536	10	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,5,6]C[4,5,6]C[4,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,5,6]C[6]H)	C[6](C[4,5,6]C[4,5,6]C[4,6]C[5])(C[6]C[6]HH)(H)2{1|Cl<1>,4|C<4>,5|H<1>}	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[4,5,6]C[6]H)	108.5943	0.085	3	108.5943	0.007	3	109.4557	0.536	10	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,5,6]C[4,5]C[4,6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,5,6]C[6]H)	C[6](C[4,5,6]C[4,5]C[4,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[4,5,6]C[6]H)	109.8965	0.005	2	109.8965	0.000	2	109.4557	0.536	10	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6,6]C[3,4,6]C[4,6,6]N[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4,6,6]HH)(H)2	H(C[6]C[4,6,6]C[6]H)	C[6](C[4,6,6]C[3,4,6]C[4,6,6]N[6])(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4,6,6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[4,6,6]C[6]H)	109.5515	1.231	2	109.5515	1.516	2	109.1292	0.774	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6,6]C[4,6,6]C[4,6]N[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4,6,6]HH)(H)2	H(C[6]C[4,6,6]C[6]H)	C[6](C[4,6,6]C[4,6,6]C[4,6]N[6])(C[6]C[6,6]HH)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4,6,6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[4,6,6]C[6]H)	108.7070	0.305	2	108.7070	0.093	2	109.1292	0.774	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6,6]C[3,4,6]C[6,6]C[4])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,6,6]C[6]H)	C[6](C[4,6,6]C[3,4,6]C[6,6]C[4])(C[6]C[6]HH)(H)2{5|C<4>,5|H<1>}	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[4,6,6]C[6]H)	109.1445	0.032	2	109.1445	0.001	2	108.8556	0.695	25	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6,6]C[4,3x6]C[4,6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6,6]HH)(C[6]C[3x6]HH)(H)2	H(C[6]C[4,6,6]C[6]H)	C[6](C[4,6,6]C[4,3x6]C[4,6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[4,6,6]HH)(C[6]C[3x6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[4,6,6]C[6]H)	108.4195	0.030	6	108.4195	0.001	6	108.8556	0.695	25	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6,6]C[4,3x6]C[4,6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,6,6]C[6]H)	C[6](C[4,6,6]C[4,3x6]C[4,6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[4,6,6]C[6]H)	110.8590	0.021	2	110.8590	0.000	2	108.8556	0.695	25	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6,6]C[4,3x6]C[4]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6,6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[4,6,6]C[6]H)	C[6](C[4,6,6]C[4,3x6]C[4]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[4,6,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[4,6,6]C[6]H)	108.7120	0.020	2	108.7120	0.000	2	108.8556	0.695	25	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,6,6]C[6]H)	C[6](C[4,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[4,6,6]C[6]H)	109.1547	0.078	6	109.1547	0.006	6	108.8556	0.695	25	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6,6]C[4,5,6,6]C[4,3x6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6,6]HH)(C[6]C[3x6]HH)(H)2	H(C[6]C[4,6,6]C[6]H)	C[6](C[4,6,6]C[4,5,6,6]C[4,3x6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[4,6,6]HH)(C[6]C[3x6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[4,6,6]C[6]H)	108.8605	1.989	2	108.8605	3.956	2	108.8556	0.695	25	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6,6]C[4,6]C[6,6]N[4,5])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,6,6]C[6]H)	C[6](C[4,6,6]C[4,6]C[6,6]N[4,5])(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[4,6,6]C[6]H)	107.8410	0.020	2	107.8410	0.000	2	108.8556	0.695	25	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6,6]C[4,6]C[6,6]N[4,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,6,6]C[6]H)	C[6](C[4,6,6]C[4,6]C[6,6]N[4,6])(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[4,6,6]C[6]H)	108.3703	0.055	3	108.3703	0.003	3	108.8556	0.695	25	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[6,6a]C[4]2)(C[6]C[6]HH)(F)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[4,6]FH)(H)2	H(C[6]C[4,6]C[6]F)	C[6](C[4,6]C[6,6a]C[4]2)(C[6]C[6]HH)(F)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[4,6]FH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[4,6]C[6]F)	109.2620	0.000	1	109.2620	0.000	1	109.2620	0.000	1	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6]C[4,6]HH)(H)2	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6]C[4,6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6]C[4,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6]C[4,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[4,6]C[6]H)	110.0635	5.983	2	111.0717	14.231	4	110.5359	7.266	8	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6]C[4,6]HH)(H)2	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6]C[4,6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6]C[4,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6]C[4,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[4,6]C[6]H)	112.0800	1.683	2	111.0717	14.231	4	110.5359	7.266	8	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4]C[6]O[4])(C[6]C[4,6]HH)(H)2	C[6](C[4,6]C[4]C[6]O[4])(C[6]C[4,6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4]C[6]O[4])(C[6]C[4,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[4,6]C[4]C[6]O[4])(C[6]C[4,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[4,6]C[6]H)	110.0000	1.399	4	110.0000	1.956	4	110.5359	7.266	8	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]HH)(H)2{1|Cl<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[4,6]C[6]H)	108.7355	0.057	2	108.8202	0.013	6	109.1845	1.662	11	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]C[5,6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]HH)(H)2{1|Cl<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[4,6]C[6]H)	108.8625	0.118	4	108.8202	0.013	6	109.1845	1.662	11	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[4,6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[4,6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[4,6]C[6]H)	109.0570	0.035	2	109.0570	0.001	2	109.1845	1.662	11	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[4,6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[5,6]HH)(H)2{1|S<4>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[4,6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[4,6]C[6]H)	108.5150	0.000	1	108.5150	0.000	1	109.1845	1.662	11	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4]C[6]O[4])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[4,6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4]C[6]O[4])(C[6]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[4,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[4,6]C[6]H)	110.7400	3.230	2	110.7400	10.433	2	109.1845	1.662	11	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[4,6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[4,6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[4,6]C[6]H)	111.1545	2.996	2	111.1545	8.976	2	109.3079	1.647	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4,6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[4,6]C[6]H)	109.0963	0.137	3	109.0963	0.019	3	109.3079	1.647	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6,6]C[6a]C[4])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[4,6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6,6]C[6a]C[4])(C[6]C[6,6]HH)(H)2{2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[4,6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[4,6]C[6]H)	108.8465	0.262	2	108.8465	0.069	2	109.3079	1.647	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[4,6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[4,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[4,6]C[6]H)	108.4655	0.009	2	108.4655	0.000	2	109.3079	1.647	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4]2C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[4,6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4]2C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[4,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[4,6]C[6]H)	109.1577	0.288	3	109.1577	0.083	3	109.3079	1.647	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]ClH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(Cl)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]ClH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(Cl)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[4,6]C[6]H)	110.6112	0.345	4	110.6112	0.119	4	110.6112	0.119	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]FH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(F)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]FH)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(F)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]H)	108.6953	0.324	3	108.6953	0.105	3	108.6953	0.105	3	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[3,4,6]C[4,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[3,4,6]C[4,6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[4,6]C[6]H)	107.6270	1.640	2	107.6270	2.691	2	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[3,4,6]C[4,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[3,4,6]C[4,6]O)(C[6]C[6]HH)(H)2{1|C<3>,5|C<4>}	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[4,6]C[6]H)	109.9292	0.310	4	109.9292	0.096	4	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4,5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4,5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[4,6]C[6]H)	108.8250	2.557	2	108.8250	6.538	2	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[4,6]C[6]H)	108.5510	0.183	4	108.5510	0.034	4	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]H)	109.7335	2.027	4	109.7335	4.108	4	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]H)	108.9170	0.006	2	108.9170	0.000	2	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]N[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[4,6]C[6]H)	108.7820	0.048	2	108.7820	0.002	2	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,5,6]N[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]N[4]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[4,6]C[6]H)	109.2812	0.094	4	109.2812	0.009	4	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,5]C[4,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5]C[4,6]C)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[4,6]C[6]H)	108.9255	0.032	2	108.9255	0.001	2	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[4,6]C[6]H)	109.8540	3.220	2	110.9931	9.621	7	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[4,6]C[6]H)	110.1315	2.607	2	110.9931	9.621	7	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]H)	112.3270	3.946	3	110.9931	9.621	7	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,5]C[4]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5]C[4]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,7|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[4,6]C[6]H)	109.3465	0.089	4	109.3465	0.008	4	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6,6]HI)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]HH)(H)2{1|I<1>,2|C<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6,6]HI)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]H)	108.9507	0.084	3	108.9507	0.007	3	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[4,6]C[6]H)	108.6645	0.284	2	108.7775	1.433	4	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]H)	108.8905	2.041	2	108.7775	1.433	4	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]2C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[4,6]C[6]H)	111.9375	4.200	2	111.9375	17.636	2	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[4,6]C[6]H)	108.8585	1.737	4	109.0514	3.054	14	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[4,6]C[6]H)	108.8830	0.943	2	109.0514	3.054	14	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]H)	107.8713	0.641	4	109.0514	3.054	14	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[4,6]C[6]H)	110.5088	2.180	4	109.0514	3.054	14	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<2>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]H)	111.4620	4.954	2	109.1152	8.101	10	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]H)	107.0970	3.561	2	109.1152	8.101	10	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]H)	107.8615	2.978	2	109.1152	8.101	10	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]H)	109.5777	1.105	4	109.1152	8.101	10	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]2S)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]2S)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[4,6]C[6]H)	110.6940	2.077	2	110.6940	4.316	2	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]B[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]B[4]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|C<3>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,1|C<4>,3|H<1>}	H(C[6]C[4,6]C[6]H)	110.0500	0.065	2	110.0500	0.004	2	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[4,6]C[6]H)	109.8530	0.000	1	108.9407	0.625	3	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[4,6]C[6]H)	108.4845	0.023	2	108.9407	0.625	3	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[4,6]C[6]H)	109.3580	0.000	1	109.3580	0.000	1	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{2|Cl<1>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[4,6]HH)(C[6]C[6]CO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[4,6]C[6]H)	109.3942	0.326	4	109.3942	0.106	4	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[4,6]C[6]H)	109.2135	0.715	4	109.2239	0.343	17	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[4,6]C[6]H)	109.4080	0.018	2	109.2239	0.343	17	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]H)	110.2860	0.016	2	109.2239	0.343	17	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[4,6]C[6]H)	108.8680	0.014	2	109.2239	0.343	17	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[4,6]C[6]H)	109.3130	0.011	2	109.2239	0.343	17	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[4,6]C[6]H)	109.1280	0.081	3	109.2239	0.343	17	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[4,6]C[6]H)	108.4095	0.035	2	109.2239	0.343	17	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,5|H<1>}	C[6](C[6]C[4,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[4,6]C[6]H)	109.1510	0.086	2	109.1510	0.007	2	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(H)2{1|S<3>,2|C<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]H)	108.5490	0.000	1	108.5490	0.000	1	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]N[4,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]N[4,6]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[4,6]C[6]H)	110.7945	0.029	2	110.7945	0.001	2	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]N[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]N[4]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[4,6]C[6]H)	110.7035	0.056	2	110.7035	0.003	2	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4]2C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[4,6]C[6]H)	109.3513	0.222	4	109.3513	0.049	4	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4]C[6]N[4])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4]C[6]N[4])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]H)	109.3747	0.093	12	109.3747	0.009	12	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4]C[6]N[4])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4]C[6]N[4])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]H)	109.3905	0.173	4	109.3905	0.030	4	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4]C[6]O[4])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4]C[6]O[4])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]H)	109.2335	0.334	4	109.2335	0.112	4	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[6,6a]C[4]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[4,6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[6,6a]C[4]2)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[4,6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[4,6]C[6]H)	109.2140	0.000	1	109.2140	0.000	1	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]N[4,6]C[4]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]N[4,6]C[4]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[4,6]C[6]H)	109.5055	0.029	2	109.5055	0.001	2	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]BrH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]BrH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[4,6]C[6]H)	109.8545	0.012	2	109.8545	0.000	2	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[4,6]C[6]H)	110.0236	0.031	5	109.8610	0.078	7	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[4,6]C[6]H)	109.4545	0.018	2	109.8610	0.078	7	109.4186	2.062	142	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(H)(O)	C[6](C[6]C[4,6]HO)(C[6]O[6]HH)(H)2	H(C[6]C[4,6]C[6]O)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(H)(O){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[4,6]HO)(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>}	H(C[6]C[4,6]C[6]O)	110.8930	0.000	1	110.8930	0.000	1	110.8930	0.000	1	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[3x6]HH)(H)2	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[4x6]HH)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[3x6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[4x6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6]C[4x6]C[6]H)	108.8050	0.027	2	108.8593	0.009	3	108.8593	0.009	3	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[3x6]HH)(H)2	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[4x6]HH)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[3x6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[4x6]HH)(H)2{8|C<4>}	H(C[6]C[4x6]C[6]H)	108.9680	0.000	1	108.8593	0.009	3	108.8593	0.009	3	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[4x6]HH)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[5,6,6]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[4x6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>,5|C<4>}	H(C[6]C[4x6]C[6]H)	109.2078	0.041	6	109.2078	0.002	6	109.2078	0.002	6	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[4x6]HH)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[4x6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[4x6]C[6]H)	109.5025	0.076	4	109.5612	0.022	5	109.5612	0.022	5	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[4x6]HH)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[4x6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[4x6]C[6]H)	109.7960	0.000	1	109.5612	0.022	5	109.5612	0.022	5	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3,3x6]C[6,6]O[6,6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[4x6]HH)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3,3x6]C[6,6]O[6,6])(C[6]C[6,6]HH)(H)2{3|H<1>,6|C<4>}	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[4x6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[4x6]C[6]H)	109.6030	0.000	1	109.6030	0.000	1	108.8369	0.137	66	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[4x6]C[6]H)	108.8970	0.000	1	108.7122	0.080	43	108.8369	0.137	66	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[4x6]C[6]H)	109.0220	0.028	2	108.7122	0.080	43	108.8369	0.137	66	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{8|C<4>}	H(C[6]C[4x6]C[6]H)	108.6898	0.106	4	108.7122	0.080	43	108.8369	0.137	66	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[4x6]C[6]H)	108.7085	0.060	8	108.7122	0.080	43	108.8369	0.137	66	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{3|C<3>,5|C<4>}	H(C[6]C[4x6]C[6]H)	108.6803	0.049	4	108.7122	0.080	43	108.8369	0.137	66	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{3|C<3>,5|C<4>}	H(C[6]C[4x6]C[6]H)	108.3260	0.042	2	108.7122	0.080	43	108.8369	0.137	66	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6]C[4x6]C[6]H)	108.1504	0.298	5	108.7122	0.080	43	108.8369	0.137	66	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{3|C<3>,5|C<4>}	H(C[6]C[4x6]C[6]H)	108.5240	0.000	1	108.7122	0.080	43	108.8369	0.137	66	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[4x6]C[6]H)	109.0065	0.009	2	108.7122	0.080	43	108.8369	0.137	66	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{2|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6]C[4x6]C[6]H)	108.8946	0.134	9	108.7122	0.080	43	108.8369	0.137	66	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{2|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{8|C<4>}	H(C[6]C[4x6]C[6]H)	108.8905	0.016	2	108.7122	0.080	43	108.8369	0.137	66	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{3|H<1>,3|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[4x6]C[6]H)	108.9250	0.000	1	108.7122	0.080	43	108.8369	0.137	66	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{8|C<4>}	H(C[6]C[4x6]C[6]H)	108.9195	0.021	2	108.7122	0.080	43	108.8369	0.137	66	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[4x6]HH)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|O<2>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[4x6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[4x6]C[6]H)	108.4130	0.034	4	108.4130	0.001	4	108.8369	0.137	66	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[4x6]HH)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[4x6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[4x6]C[6]H)	109.4922	0.168	4	109.3627	0.039	11	108.8369	0.137	66	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[4x6]HH)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[4x6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[4x6]C[6]H)	109.4110	0.010	2	109.3627	0.039	11	108.8369	0.137	66	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[4x6]HH)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6,6]HH)(H)2{3|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[4x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[4x6]C[6]H)	109.1513	0.041	4	109.3627	0.039	11	108.8369	0.137	66	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[4x6]HH)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6,6]HH)(H)2{3|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[4x6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	H(C[6]C[4x6]C[6]H)	109.5940	0.000	1	109.3627	0.039	11	108.8369	0.137	66	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[6]C[6,6]HH)(H)2{2|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6]C[4x6]C[6]H)	108.9636	0.114	5	108.9636	0.013	5	108.8369	0.137	66	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[6,6,6a]C[3x6]C[6,6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[6,6,6a]C[3x6]C[6,6])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{3|C<3>,5|C<4>}	H(C[6]C[4x6]C[6]H)	108.7720	0.016	2	108.7720	0.000	2	108.8369	0.137	66	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[4x6]C[6]H)	108.8670	0.023	2	108.8670	0.001	2	109.0422	0.550	69	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[6]C[4x6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[4x6]C[6]H)	109.0588	0.136	4	109.0588	0.018	4	109.0422	0.550	69	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[4x6]C[6]H)	108.9975	0.009	2	109.0226	0.009	7	109.0422	0.550	69	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[4x6]C[6]H)	108.9580	0.051	2	109.0226	0.009	7	109.0422	0.550	69	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[4x6]C[6]H)	109.1555	0.015	2	109.0226	0.009	7	109.0422	0.550	69	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[4x6]C[6]H)	108.9360	0.000	1	109.0226	0.009	7	109.0422	0.550	69	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[4x6]C[6]H)	109.2010	0.018	2	109.2010	0.000	2	109.0422	0.550	69	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[4x6]C[6]H)	109.3095	0.244	4	109.3095	0.060	4	109.0422	0.550	69	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[4x6]C[6]H)	109.2328	0.198	16	109.2328	0.039	16	109.0422	0.550	69	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[5,6]CH)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[4x6]HH)(C[6]C[5,6]CH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[4x6]C[6]H)	109.6590	0.141	5	109.6590	0.020	5	109.0422	0.550	69	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,2|C<2>,2|H<1>,5|C<4>}	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[4x6]C[6]H)	109.8025	2.716	2	109.8025	7.377	2	109.0422	0.550	69	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[4x6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,7|H<1>}	C[6](C[6]C[4x6]HH)(C[6]N[5,6]HH)(H)2{4|C<4>}	H(C[6]C[4x6]C[6]H)	109.2543	0.235	6	109.2543	0.055	6	109.0422	0.550	69	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[5,6,6]2C[3x6])(C[6]C[6]HH)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[5,6,6]2C[3x6])(C[6]C[6]HH)(H)2{3|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[4x6]C[6]H)	108.5535	0.040	2	108.5535	0.002	2	109.0422	0.550	69	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[4x6]C[6]H)	108.9184	0.288	8	108.9184	0.083	8	109.0422	0.550	69	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[5x6]C[6,6]O[6,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[5x6]C[6,6]O[6,6])(C[6]C[6]HH)(H)2{3|H<1>,6|C<4>}	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[4x6]C[6]H)	105.9550	1.962	2	105.9550	3.848	2	109.0422	0.550	69	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[6,6,6a]C[3x6]C[6,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[6,6,6a]C[3x6]C[6,6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[4x6]C[6]H)	108.8825	0.009	2	108.8825	0.000	2	109.0422	0.550	69	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[6,6]2N[3x6])(C[6]C[6]HH)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[6,6]2N[3x6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[4x6]C[6]H)	108.8060	0.008	4	108.8060	0.000	4	109.0422	0.550	69	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]N[5a,6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[4x6]HH)(H)2	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]N[5a,6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[4x6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[4x6]C[6]H)	108.8810	0.148	3	108.8810	0.022	3	109.0422	0.550	69	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(H)2	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(H)2{1|N<4>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(H)2{8|C<4>}	H(C[6]C[5,3x6]C[6]H)	108.7275	0.022	2	108.8325	0.010	6	108.5237	0.120	15	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(H)2	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(H)2{5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[5,3x6]C[6]H)	108.8850	0.078	4	108.8325	0.010	6	108.5237	0.120	15	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(H)2	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{4|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6]C[5,3x6]C[6]H)	108.0838	0.079	5	108.0838	0.006	5	108.5237	0.120	15	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,3x6]C[5,5,6]C[5,6,6]C[6,6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(H)2	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,5,6]C[5,6,6]C[6,6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6]C[5,3x6]C[6]H)	108.6103	0.109	4	108.6103	0.012	4	108.5237	0.120	15	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,3x6]B[3x3,4x5,15x6]B[5,6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x3,3x5,14x6]HH)(C[6]C[5,3x6]HH)(H)2	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]B[3x3,4x5,15x6]B[5,6,6]H)(C[6]C[6]HH)(H)2{1|B<5>,1|C<5>,1|O<2>,3|B<6>,3|H<1>}	C[6](C[6]C[3x3,3x5,14x6]HH)(C[6]C[5,3x6]HH)(H)2{1|B<3>,1|B<5>,1|H<1>,3|B<6>}	H(C[6]C[5,3x6]C[6]H)	108.9560	0.044	2	108.9560	0.002	2	108.9190	0.299	23	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5,6])(C[6]C[6]HH)(H)2{1|N<3>,5|C<4>,5|H<1>}	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(H)2{5|C<4>}	H(C[6]C[5,3x6]C[6]H)	108.0890	0.000	1	108.0890	0.000	1	108.9190	0.299	23	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,3x6]C[6]H)	108.6880	0.000	1	108.6880	0.000	1	108.9190	0.299	23	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,3x6]C[5,3x6]C[3x6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,3x6]C[3x6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,3x6]C[6]H)	109.3835	0.005	2	109.3835	0.000	2	108.9190	0.299	23	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,3x6]C[5,4x6]C[3x6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,4x6]C[3x6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,3x6]C[6]H)	109.0837	0.096	6	109.0837	0.009	6	108.9190	0.299	23	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,3x6]C[5,4x6]C[3x6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,3x6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,4x6]C[3x6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[5,3x6]HH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[5,3x6]C[6]H)	109.1240	0.040	2	109.1240	0.002	2	108.9190	0.299	23	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,3x6]C[5,4x6]C[4x6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,3x6]HH)(C[6]C[3x6]HH)(H)2	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,4x6]C[4x6]O[5])(C[6]C[6]HH)(H)2{3|H<1>,6|C<4>}	C[6](C[6]C[5,3x6]HH)(C[6]C[3x6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[5,3x6]C[6]H)	107.4350	0.000	1	107.4350	0.000	1	108.9190	0.299	23	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,3x6]C[5,6,6]C[4x6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,6,6]C[4x6]C[5])(C[6]C[6]HH)(H)2{3|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,3x6]C[6]H)	108.9975	1.546	2	108.9975	2.391	2	108.9190	0.299	23	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,3x6]C[6]H)	108.7620	0.040	2	108.7620	0.002	2	108.9190	0.299	23	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,3x6]C[5,6,6]C[6,6]O[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,6,6]C[6,6]O[5,6])(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,3x6]C[6]H)	108.8290	0.031	2	108.8290	0.001	2	108.9190	0.299	23	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,3x6]C[5a,6,6]C[5,6,6]C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5a,6,6]C[5,6,6]C[5,6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,3x6]C[6]H)	109.1595	0.568	2	109.1595	0.322	2	108.9190	0.299	23	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CC)(H)2	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|H<1>,2|O<2>,3|C<3>,4|C<4>}	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CC)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,3x6]C[6]H)	109.4090	0.058	4	109.4090	0.003	4	109.3293	0.029	30	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,3x6]C[6]H)	109.2554	0.211	15	109.3098	0.034	24	109.3293	0.029	30	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,3x6]C[6]H)	109.4068	0.108	5	109.3098	0.034	24	109.3293	0.029	30	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{2|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,3x6]C[6]H)	109.3923	0.035	4	109.3098	0.034	24	109.3293	0.029	30	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CO)(H)2	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<3>,3|C<4>}	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CO)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,3x6]C[6]H)	109.4050	0.011	2	109.4050	0.000	2	109.3293	0.029	30	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6]C[3x6]HH)(H)2	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[5,4x6]HH)(H)2	H(C[6]C[5,4x6]C[6]H)	C[6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6]C[3x6]HH)(H)2{5|H<1>,6|C<4>}	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[5,4x6]HH)(H)2{8|C<4>}	H(C[6]C[5,4x6]C[6]H)	108.2675	0.035	2	108.2675	0.001	2	108.2675	0.001	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,4x6]HH)(H)2	H(C[6]C[5,4x6]C[6]H)	C[6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6]C[6,6]HH)(H)2{1|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,4x6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[5,4x6]C[6]H)	108.8120	0.007	2	108.8120	0.000	2	108.8120	0.000	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,4x6]C[5,3x6]C[4x6]O[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,4x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,4x6]C[6]H)	C[6](C[5,4x6]C[5,3x6]C[4x6]O[5,6])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[6](C[6]C[5,4x6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,4x6]C[6]H)	109.2344	0.176	8	109.2344	0.031	8	109.0531	0.170	10	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,4x6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[5,4x6]C[6]H)	C[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[6]C[5,4x6]HH)(C[6]N[6]HH)(H)2{4|C<4>}	H(C[6]C[5,4x6]C[6]H)	108.3280	0.006	2	108.3280	0.000	2	109.0531	0.170	10	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]CH)(H)2	H(C[6]C[5,4x6]C[6]H)	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,4x6]C[6]H)	109.2434	0.951	8	109.2434	0.905	8	109.2434	0.905	8	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[5,3x6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,3x6]HH)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,5,3x6]C[6]H)	C[6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[5,3x6])(C[6]C[6]HH)(H)2{1|N<3>,5|C<4>,5|H<1>}	C[6](C[6]C[5,5,3x6]HH)(C[6]C[5,6,6]HH)(H)2{5|C<4>}	H(C[6]C[5,5,3x6]C[6]H)	109.1490	0.006	4	109.1490	0.000	4	109.1490	0.000	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,5])(C[6]C[5,6]HH)(Br)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[5,5,6,6]BrH)(H)2	H(C[6]C[5,5,6,6]C[6]Br)	C[6](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,5])(C[6]C[5,6]HH)(Br)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[5,5,6,6]BrH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[5,5,6,6]C[6]Br)	107.9785	0.135	2	107.9785	0.018	2	107.9785	0.018	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,5])(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[5,5,6,6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6,6]C[6]Br)	C[6](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,5])(C[6]C[6]HH)(Br)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,5,6,6]BrH)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[5,5,6,6]C[6]Br)	112.3770	0.000	1	112.3770	0.000	1	112.3770	0.000	1	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,6]2O[5,6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6,6]HH)(H)2	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[5,5,6]2O[5,6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6]C[5,5,6,6]C[6]H)	109.8525	0.025	2	109.8525	0.001	2	109.8525	0.001	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[3x5,6]C[5,6,6]O[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[3x5,6]C[5,6,6]O[5,6])(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,5|C<4>}	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,5,6,6]C[6]H)	110.6705	1.491	2	110.6705	2.224	2	109.5116	0.897	31	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[3x5,6]C[5,6]O[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]CH)(H)2	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[3x5,6]C[5,6]O[5,6])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]CH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[5,5,6,6]C[6]H)	109.7680	0.013	2	109.7680	0.000	2	109.5116	0.897	31	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,2|N<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5,5,6,6]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[5,5,6,6]C[6]H)	109.5205	0.170	4	109.5205	0.029	4	109.5116	0.897	31	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,4x6]C[5,5,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6,6]HH)(C[6]N[5,6,6]HH)(H)2	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[5,5,4x6]C[5,5,6]C[6])(C[6]C[6]HH)(H)2{1|N<4>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[6]C[5,5,6,6]HH)(C[6]N[5,6,6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[5,5,6,6]C[6]H)	108.1900	0.017	2	108.1900	0.000	2	109.5116	0.897	31	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,6,6]N[5,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[5,5,6,6]N[5,6]2)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[5,5,6,6]C[6]H)	109.5280	0.074	4	109.5280	0.005	4	109.5116	0.897	31	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]CO)(H)2	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|O<2>,6|C<4>}	C[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]CO)(H)2{1|H<1>,4|C<4>}	H(C[6]C[5,5,6,6]C[6]H)	109.6245	0.005	2	109.6245	0.000	2	109.5116	0.897	31	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,5,6,6]C[6]H)	109.0320	0.000	1	109.0320	0.000	1	109.5116	0.897	31	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,6]C[5,6]O[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[5,5,6]C[5,6]O[5,6])(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,5,6,6]C[6]H)	109.0700	0.020	2	109.0700	0.000	2	109.5116	0.897	31	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,6]N[5,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[5,5,6]N[5,6]2)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[5,5,6,6]C[6]H)	109.7270	0.016	2	109.7270	0.000	2	109.5116	0.897	31	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[5,6,6]2C[5,5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[5,6,6]2C[5,5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[5,5,6,6]C[6]H)	108.7945	0.021	2	108.7945	0.000	2	109.5116	0.897	31	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,5,6,6]C[6]H)	109.2520	0.033	2	109.1748	0.008	4	109.5116	0.897	31	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,5,6,6]C[6]H)	109.0975	0.023	2	109.1748	0.008	4	109.5116	0.897	31	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[5,6,6]C[5,5]O[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]O[5,6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,6|C<4>}	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,5,6,6]C[6]H)	109.7850	0.041	2	109.7850	0.002	2	109.5116	0.897	31	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[5,6,6]O[5,5]O[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[5,6,6]O[5,5]O[5,6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,5,6,6]C[6]H)	110.8380	3.516	2	110.8380	12.360	2	109.5116	0.897	31	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:Br-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[3x5]O[5,6]C[5])(C[6]C[6,6]HH)(Br)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,5,6]BrH)(H)2	H(C[6]C[5,5,6]C[6]Br)	C[6](C[5,5,6]C[3x5]O[5,6]C[5])(C[6]C[6,6]HH)(Br)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,5,6]BrH)(H)2{1|O<1>,1|O<2>,5|C<4>}	H(C[6]C[5,5,6]C[6]Br)	107.9150	0.000	2	107.9150	0.000	2	107.9150	0.000	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,5,6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[3,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>,4|C<3>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,5,6]HH)(H)2{1|C<4>,1|H<1>,2|N<3>}	H(C[6]C[5,5,6]C[6]H)	110.7935	1.160	2	110.7935	1.346	2	110.7935	1.346	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[3x5,6,6]C[4x5,3x6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[5,5,6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[3x5,6,6]C[4x5,3x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[5,5,6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[5,5,6]C[6]H)	109.5735	0.016	2	109.5735	0.000	2	109.0776	0.177	18	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]2C[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]2C[5])(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,5,6]C[6]H)	109.6130	0.000	1	109.6130	0.000	1	109.0776	0.177	18	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,5,6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]HH)(H)2{3|H<1>,3|O<2>,5|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,5,6]HH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[5,5,6]C[6]H)	109.2340	0.208	4	109.2340	0.043	4	109.0776	0.177	18	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,5,6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,5,6]HH)(H)2{1|H<1>,6|C<4>}	H(C[6]C[5,5,6]C[6]H)	109.3125	0.006	2	109.1640	0.032	4	109.0776	0.177	18	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,5,6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[5,5,6]C[6]H)	109.0155	0.083	2	109.1640	0.032	4	109.0776	0.177	18	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,5,6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{2|N<2>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,5,6]HH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[5,5,6]C[6]H)	109.1450	0.034	2	109.1450	0.001	2	109.0776	0.177	18	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,5,6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[5,6]HH)(H)2{1|C<2>,1|N<3>,3|C<4>,5|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,5,6]C[6]H)	108.6365	0.013	2	108.4273	0.059	4	109.0776	0.177	18	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,5,6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>,5|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,5,6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,5,6]C[6]H)	108.2180	0.016	2	108.4273	0.059	4	109.0776	0.177	18	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[5,5,6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|H<1>,3|O<2>,5|C<4>}	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[5,5,6]HH)(H)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	H(C[6]C[5,5,6]C[6]H)	109.0450	0.000	1	109.0450	0.000	1	109.0776	0.177	18	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6,6]C[3x5,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,5,6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6,6]C[3x5,6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,5,6]C[6]H)	109.6845	0.029	2	109.6845	0.001	2	108.9294	0.511	11	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6,6]C[5]N[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[5,5,6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6,6]C[5]N[5])(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,6|C<4>}	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[5,5,6]HH)(H)2{1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[5,5,6]C[6]H)	108.5325	0.170	2	108.5325	0.029	2	108.9294	0.511	11	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,5,6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|N<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,5,6]C[6]H)	109.8525	0.032	2	109.8525	0.001	2	108.9294	0.511	11	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[5,5,6]C[6]H)	108.1245	0.009	2	108.4168	0.152	5	108.9294	0.511	11	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[5,5,6]C[6]H)	108.3800	0.049	2	108.4168	0.152	5	108.9294	0.511	11	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[5,5,6]C[6]H)	109.0750	0.000	1	108.4168	0.152	5	108.9294	0.511	11	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[3,5,5]C[3x5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[3,5,5]C[3x5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[5,5,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[5,5,6]C[6]H)	110.0680	0.055	4	110.0680	0.003	4	109.3474	0.620	228	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[4,5,5]C[5,5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[4,5,5]C[5,5,6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,5,6]C[6]H)	109.6593	0.114	4	109.6593	0.013	4	109.3474	0.620	228	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,5,6]C[6]H)	108.5985	0.021	2	108.5985	0.000	2	109.3474	0.620	228	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6,6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,5,6]C[6]H)	109.6855	2.723	2	109.6855	7.415	2	109.3474	0.620	228	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]O)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,5,6]C[6]H)	109.7140	0.055	2	109.7140	0.003	2	109.3474	0.620	228	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6,6]C[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6,6]C[5]2)(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,5,6]C[6]H)	108.6110	0.008	2	108.6110	0.000	2	109.3474	0.620	228	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6,6]C[5]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6,6]C[5]O[5])(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,5,6]C[6]H)	108.6655	0.015	2	108.6655	0.000	2	109.3474	0.620	228	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6,6]N[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6,6]N[5]2)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[5,5,6]C[6]H)	109.1090	0.016	2	109.1090	0.000	2	109.3474	0.620	228	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]2O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]2O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,5,6]C[6]H)	109.3565	0.008	2	109.3565	0.000	2	109.3474	0.620	228	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5,5]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5,5]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(H)2{1|S<2>,4|C<4>}	H(C[6]C[5,5,6]C[6]H)	108.6080	0.129	4	108.6080	0.017	4	109.3474	0.620	228	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[5,5,6]C[6]H)	109.4276	0.291	7	109.4276	0.085	7	109.3474	0.620	228	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,5,6]C[6]H)	109.5700	2.913	2	109.5700	8.487	2	109.3474	0.620	228	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5,6a]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5,6a]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,5,6]C[6]H)	109.2127	0.093	4	109.2127	0.009	4	109.3474	0.620	228	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5,6a]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5,6a]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,5,6]C[6]H)	109.2375	0.374	4	109.2375	0.140	4	109.3474	0.620	228	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,5,6]C[6]H)	109.8000	0.000	1	109.8000	0.000	1	109.3474	0.620	228	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,5,6]C[6]H)	108.9600	0.008	2	109.2116	0.211	9	109.3474	0.620	228	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2{1|N<4>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,5,6]C[6]H)	109.2834	0.504	7	109.2116	0.211	9	109.3474	0.620	228	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,5,6]C[6]H)	108.9550	0.011	2	108.9550	0.000	2	109.3474	0.620	228	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5]N[5])(C[6]C[6]HH)(H)2{2|Br<1>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[5,5,6]C[6]H)	108.2515	0.102	4	108.2515	0.010	4	109.3474	0.620	228	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,5,6]C[6]H)	109.0245	0.037	2	109.0245	0.001	2	109.3474	0.620	228	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2{1|H<1>,4|C<3>,4|C<4>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,2|N<3>}	H(C[6]C[5,5,6]C[6]H)	108.8620	0.045	2	108.6290	0.073	4	109.3474	0.620	228	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>,4|C<4>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|N<3>}	H(C[6]C[5,5,6]C[6]H)	108.3960	0.028	2	108.6290	0.073	4	109.3474	0.620	228	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[5,5,6]C[6]H)	110.9720	1.175	2	109.4502	0.216	128	109.3474	0.620	228	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[5,5,6]C[6]H)	109.4233	0.276	124	109.4502	0.216	128	109.3474	0.620	228	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>,4|C<4>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[5,5,6]C[6]H)	109.5955	3.454	2	109.4502	0.216	128	109.3474	0.620	228	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>,4|C<3>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[5,5,6]C[6]H)	110.1790	3.241	2	110.1790	10.507	2	109.3474	0.620	228	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,5,6]C[6]H)	109.2803	0.060	3	109.2803	0.004	3	109.3474	0.620	228	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CO)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,4|H<1>,6|C<4>}	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CO)(H)2{1|H<1>,4|C<4>}	H(C[6]C[5,5,6]C[6]H)	109.2985	0.026	2	109.2985	0.001	2	109.3474	0.620	228	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CP)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|P<4>,4|H<1>,6|C<4>}	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CP)(H)2{1|H<1>,4|C<4>}	H(C[6]C[5,5,6]C[6]H)	108.9625	0.098	4	108.9625	0.010	4	109.3474	0.620	228	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[5,5,6]C[6]H)	109.3975	0.022	2	109.3975	0.000	2	109.3474	0.620	228	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[6]C[5,5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>}	H(C[6]C[5,5,6]C[6]H)	108.9425	0.016	2	108.9425	0.000	2	109.3474	0.620	228	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>}	H(C[6]C[5,5,6]C[6]H)	109.4815	0.510	2	109.4815	0.260	2	109.3474	0.620	228	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[5,5,6]C[6]H)	110.1070	0.021	2	109.8478	11.939	6	109.3474	0.620	228	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[5,5,6]C[6]H)	109.9070	0.042	2	109.8478	11.939	6	109.3474	0.620	228	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[5,5,6]C[6]H)	109.5295	7.704	2	109.8478	11.939	6	109.3474	0.620	228	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]N[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[5,5,6]C[6]H)	109.0003	0.354	6	108.9887	0.091	8	109.3474	0.620	228	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]N[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,5,6]C[6]H)	108.9540	0.058	2	108.9887	0.091	8	109.3474	0.620	228	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,3|C<4>,5|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,5,6]C[6]H)	109.0872	0.280	4	109.0872	0.079	4	109.3474	0.620	228	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[3x6]C[5])(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[5,6,6]ClH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6,6]C[6]Cl)	C[6](C[5,6,6]C[5,6,6]C[3x6]C[5])(C[6]C[6]HH)(Cl)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]ClH)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6,6]C[6]Cl)	108.5580	0.000	1	108.5580	0.000	1	108.5580	0.000	1	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[3x5,6,6]C[5,6]H)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,5,6]C[6a]C[3])(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]H)(C[6]C[3,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[3,6]C[3,5,6]C[6a]C[3])(C[6]C[5,6,6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6,6]C[6]H)	109.8615	1.749	2	109.8615	3.058	2	109.8615	3.058	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[4x6]HH)(H)2	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[4x6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>,5|C<4>}	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[5,6,6]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.6052	0.378	5	109.6052	0.143	5	109.6052	0.143	5	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[3,5,6,6]C[6,6]O[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[3,5,6,6]C[6,6]O[5])(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,7|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.9530	0.100	5	108.9530	0.010	5	109.2159	0.187	25	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6]H)	109.2765	0.006	2	109.2765	0.000	2	109.2159	0.187	25	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,6,6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	110.2330	0.018	2	110.2330	0.000	2	109.2159	0.187	25	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|O<2>,2|N<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.5785	0.013	2	109.5785	0.000	2	109.2159	0.187	25	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.1385	0.054	2	109.1385	0.003	2	109.2159	0.187	25	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>,3|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.8985	0.006	2	108.8985	0.000	2	109.2159	0.187	25	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]O[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]O[5,6]C[5])(C[6]C[5,6]HH)(H)2{2|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.8143	0.024	3	108.8143	0.001	3	109.2159	0.187	25	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[5,6]HH)(H)2{1|O<2>,4|H<1>,6|C<4>}	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[5,6,6]HH)(H)2{1|H<1>,5|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.9965	0.016	2	108.9965	0.000	2	109.2159	0.187	25	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>,3|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.9080	0.018	2	108.9080	0.000	2	109.2159	0.187	25	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[5,6]HH)(H)2{2|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6,6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.5330	0.000	1	109.5330	0.000	1	109.2159	0.187	25	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6,6]C[6]H)	109.7990	0.069	2	109.7990	0.005	2	109.2159	0.187	25	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[3,5]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[3,5]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.1390	0.033	2	109.1390	0.001	2	108.9201	0.161	157	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[3,6,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[3,6,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>,3|O<2>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.6935	0.026	2	109.6935	0.001	2	108.9201	0.161	157	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,5,6,6]C[5,6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[5,5,6,6]C[5,6]H)(C[6]C[5,6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.1230	1.325	2	109.1230	1.756	2	108.9201	0.161	157	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.5060	0.495	8	108.5060	0.245	8	108.9201	0.161	157	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.4990	0.000	1	109.4990	0.000	1	108.9201	0.161	157	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.0350	0.110	4	108.9611	0.022	13	108.9201	0.161	157	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.9335	0.108	4	108.9611	0.022	13	108.9201	0.161	157	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2{1|O<2>,2|C<3>,5|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.0703	0.040	3	108.9611	0.022	13	108.9201	0.161	157	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2{1|O<2>,3|C<3>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.7045	0.040	2	108.9611	0.022	13	108.9201	0.161	157	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.1887	0.114	4	108.8384	0.073	23	108.9201	0.161	157	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|O<2>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.7647	0.233	19	108.8384	0.073	23	108.9201	0.161	157	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.4968	0.156	4	108.4968	0.024	4	108.9201	0.161	157	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|O<2>,2|C<3>,5|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.5250	0.058	2	109.4890	0.006	3	108.9201	0.161	157	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|O<2>,2|C<3>,5|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.4170	0.000	1	109.4890	0.006	3	108.9201	0.161	157	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{3|C<3>,5|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.8590	0.011	2	108.8590	0.000	2	108.9201	0.161	157	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.0835	0.079	4	109.0835	0.006	4	108.9201	0.161	157	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[5,6,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.0530	0.010	2	109.0530	0.000	2	108.9201	0.161	157	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|Br<1>,1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.9120	0.096	2	108.8285	0.037	70	108.9201	0.161	157	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{3|C<3>,5|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.9170	0.000	1	108.8285	0.037	70	108.9201	0.161	157	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.9360	0.021	2	108.8285	0.037	70	108.9201	0.161	157	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.0690	0.032	5	108.8285	0.037	70	108.9201	0.161	157	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.7853	0.185	26	108.8285	0.037	70	108.9201	0.161	157	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{8|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.0090	0.040	3	108.8285	0.037	70	108.9201	0.161	157	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.7657	0.059	4	108.8285	0.037	70	108.9201	0.161	157	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.0090	0.000	1	108.8285	0.037	70	108.9201	0.161	157	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.0060	0.000	1	108.8285	0.037	70	108.9201	0.161	157	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.0920	0.051	2	108.8285	0.037	70	108.9201	0.161	157	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.9825	0.009	2	108.8285	0.037	70	108.9201	0.161	157	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<2>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.6405	0.029	2	108.8285	0.037	70	108.9201	0.161	157	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{3|C<3>,5|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.4718	0.056	4	108.8285	0.037	70	108.9201	0.161	157	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.0080	0.000	1	108.8285	0.037	70	108.9201	0.161	157	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.6970	0.158	4	108.8285	0.037	70	108.9201	0.161	157	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>,3|O<2>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.8180	0.025	2	108.8285	0.037	70	108.9201	0.161	157	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.8140	0.137	6	108.8285	0.037	70	108.9201	0.161	157	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{8|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.9385	0.043	2	108.8285	0.037	70	108.9201	0.161	157	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.4460	0.011	2	108.2848	0.053	4	108.9201	0.161	157	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6]HH)(H)2{4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.1235	0.233	2	108.2848	0.053	4	108.9201	0.161	157	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6,6]HH)(H)2{2|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.8500	0.000	1	108.8500	0.000	1	108.9201	0.161	157	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6,6]HH)(H)2{2|H<1>,3|O<2>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.3250	0.191	3	109.3250	0.036	3	108.9201	0.161	157	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6,6]HH)(H)2{1|C<3>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2{2|C<3>,3|C<4>,3|O<2>}	H(C[6]C[5,6,6]C[6]H)	108.6230	0.011	2	108.6230	0.000	2	108.9201	0.161	157	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6,6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.8805	0.008	2	109.8212	0.005	4	108.9201	0.161	157	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6,6]HH)(H)2{7|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6,6]HH)(H)2{1|H<1>,3|O<2>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.7620	0.028	2	109.8212	0.005	4	108.9201	0.161	157	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6,6]HH)(H)2{2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6,6]HH)(H)2{1|C<4>,1|H<1>,2|O<2>,3|C<3>}	H(C[6]C[5,6,6]C[6]H)	109.1675	0.172	2	109.1675	0.030	2	108.9201	0.161	157	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]N[5,6]O[5,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[5,6]C)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]N[5,6]O[5,6]C[6])(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[6](C[6,6]C[5,6,6]C[5,6]C)(C[6]C[5,6,6]HH)(H)2{1|N<3>,2|O<2>,5|C<4>}	H(C[6]C[5,6,6]C[6]H)	110.1133	0.047	3	110.1133	0.002	3	108.9201	0.161	157	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]N[5,6]O[5,6]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]N[5,6]O[5,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.7220	0.058	2	109.7220	0.003	2	108.9201	0.161	157	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[3,5,6]C[5,3x6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[3,5,6]C[5,3x6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6]H)	110.0955	3.870	2	110.0955	14.977	2	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(H)2{2|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.7255	0.005	2	108.7255	0.000	2	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,3x6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,3x6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,5|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.2140	0.000	1	109.2140	0.000	1	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,3x6]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,3x6]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	108.9840	0.037	2	108.9840	0.001	2	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,3x6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,3x6]HH)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,3x6]C[5,6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,5,3x6]HH)(C[6]C[5,6,6]HH)(H)2{5|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.4705	0.004	4	108.4705	0.000	4	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.4330	0.018	2	109.4330	0.000	2	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	110.2955	1.756	2	110.2955	3.083	2	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6,6]C[6]H)	109.9465	0.104	4	109.9465	0.011	4	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]O)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	109.6390	0.819	2	109.6390	0.670	2	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	109.7960	1.411	2	109.7960	1.992	2	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]CH)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[5,5,6]CH)(C[6]C[5,6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.1560	0.004	2	109.1560	0.000	2	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6,6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	106.1725	7.396	2	106.1725	54.695	2	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6,6]HO)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6,6]HO)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.1757	0.068	4	109.1757	0.005	4	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.1175	0.105	2	109.1175	0.011	2	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)2(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	109.4060	0.240	2	109.4060	0.058	2	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[5,6,6]C[6]H)	109.5825	0.008	2	109.5825	0.000	2	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)2(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	110.7630	1.598	2	110.7630	2.554	2	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[5,6,6]C[6]H)	109.7622	0.234	5	109.7622	0.055	5	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>,3|O<2>}	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]CH)(H)2{5|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.8490	0.034	2	108.8490	0.001	2	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,5|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	109.4580	0.184	4	109.4580	0.034	4	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6]H)	109.5127	0.163	6	109.8071	0.086	14	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]HH)(H)2{1|Cl<1>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6]H)	110.0280	0.106	8	109.8071	0.086	14	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	108.6387	0.142	3	108.6387	0.020	3	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)2(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)2(H)2{1|C<3>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.0630	0.042	4	109.0630	0.002	4	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6]O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6]C[5,6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	109.2881	0.045	8	109.2881	0.002	8	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.8090	0.158	2	108.8090	0.025	2	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]HH)(H)2{4|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.0320	0.088	4	109.0320	0.008	4	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2{4|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.0245	0.041	4	108.0245	0.002	4	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<4>,2|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.3905	0.021	2	108.3905	0.000	2	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6]H)	109.3635	0.015	2	109.3635	0.000	2	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6,6]C[6]H)	109.7952	0.168	4	109.7952	0.028	4	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	108.5933	0.126	3	108.8447	0.068	7	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	108.9325	0.045	2	108.8447	0.068	7	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{2|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	109.1340	0.006	2	108.8447	0.068	7	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.3095	0.161	4	108.7290	0.438	6	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<4>,2|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.5680	0.018	2	108.7290	0.438	6	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	108.6750	0.037	2	108.3702	0.057	6	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2{3|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	108.2177	0.035	4	108.3702	0.057	6	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]CC)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]CC)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.0880	0.030	4	108.9984	0.089	21	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]CC)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<2>,5|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]CC)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.9773	0.329	17	108.9984	0.089	21	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.2720	0.006	2	109.2720	0.000	2	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{2|C<4>,3|O<2>,6|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HO)(H)2{1|C<2>,1|C<3>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.7630	0.004	2	109.7630	0.000	2	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	109.5321	0.296	10	109.5321	0.088	10	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.6170	0.052	3	109.6170	0.003	3	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.8865	0.023	2	108.4672	0.129	6	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	108.2575	0.197	4	108.4672	0.129	6	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,7|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]HH)(H)2{4|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.6940	0.287	2	108.6940	0.082	2	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]N[6])(C[6]C[6]HH)(H)2{1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	108.9095	0.057	2	108.9095	0.003	2	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|O<2>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.2202	0.466	10	108.3419	0.191	14	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.6685	0.029	2	108.3419	0.191	14	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.6240	0.021	2	108.3419	0.191	14	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(H)2{2|C<3>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.7750	0.061	2	108.9563	0.017	7	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{2|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.0288	0.044	5	108.9563	0.017	7	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6]HH)(H)2{1|H<1>,2|O<2>,6|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HO)(H)2{1|O<2>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.6030	0.000	1	109.6030	0.000	1	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	110.6795	1.257	2	109.0608	2.722	6	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(H)2{1|N<4>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	107.7320	1.758	2	109.0608	2.722	6	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	108.7710	0.027	2	109.0608	2.722	6	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6,6a]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6,6a]N[5])(C[6]C[6]HH)(H)2{1|S<4>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.2095	0.005	2	109.2095	0.000	2	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	108.8950	0.016	2	108.8963	0.001	4	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]HH)(H)2{3|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	108.8975	0.056	2	108.8963	0.001	4	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.1625	0.019	2	109.1625	0.000	2	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	108.7938	0.320	4	108.7938	0.102	4	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]N[5,6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]N[5,6,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	108.7620	0.000	1	108.7620	0.000	1	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[5,6,6]C[6]H)	109.7575	0.828	2	110.3233	1.148	4	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6,6]C[6]H)	110.8890	1.216	2	110.3233	1.148	4	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6a]C[5,6]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6a]C[5,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	108.7690	0.020	2	108.7690	0.000	2	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]2C[6,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]CO)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]2C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]CO)(H)2{1|H<1>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.5975	0.037	2	108.5975	0.001	2	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.5675	0.029	2	109.2256	3.733	10	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2{1|O<2>,5|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.3628	3.312	4	109.2256	3.733	10	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2{2|C<3>,4|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.8990	0.008	2	109.2256	3.733	10	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	108.9360	0.011	2	109.2256	3.733	10	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.5520	0.013	2	109.5520	0.000	2	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]2N[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]2N[5,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|N<2>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	110.1255	0.991	2	110.1255	0.981	2	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]2O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]2O[6])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	109.1467	0.025	4	109.1467	0.001	4	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]3)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	111.0955	1.049	2	110.1137	11.953	4	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]3)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]3)(C[6]C[6]HH)(H)2{3|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	109.1320	5.559	2	110.1137	11.953	4	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.6310	0.020	2	109.6310	0.000	2	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.4580	2.412	4	109.3856	4.391	5	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>,3|O<2>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.0960	0.000	1	109.3856	4.391	5	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.3603	0.259	3	109.1280	0.048	10	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	108.8070	0.000	1	109.1280	0.048	10	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.0595	0.036	2	109.1280	0.048	10	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.0480	0.040	2	109.1280	0.048	10	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.0885	0.049	2	109.1280	0.048	10	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2{4|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.0300	1.526	2	109.3117	0.290	10	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,4|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.4775	0.042	4	109.3117	0.290	10	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.2935	0.080	2	109.3117	0.290	10	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.2800	0.030	2	109.3117	0.290	10	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|O<2>,6|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]O[6]HH)(H)2{3|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.5880	0.000	1	109.4370	0.017	3	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|O<2>,6|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]O[6]HH)(H)2{3|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.3615	0.019	2	109.4370	0.017	3	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.4040	0.016	2	109.4040	0.000	2	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2{1|B<3>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.7970	0.027	2	108.8592	0.122	11	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.4958	0.102	4	108.8592	0.122	11	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	109.3475	0.015	2	108.8592	0.122	11	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	109.1575	0.012	2	108.8592	0.122	11	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2{4|H<1>,5|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	108.8640	0.000	1	108.8592	0.122	11	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.5986	0.219	7	108.6182	0.038	9	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.6870	0.007	2	108.6182	0.038	9	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.6292	0.186	8	108.8257	0.066	16	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.8570	0.027	2	108.8257	0.066	16	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.0625	0.008	2	108.8257	0.066	16	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	109.0847	0.134	4	108.8257	0.066	16	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]N[6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]N[6,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.1030	0.014	2	109.1030	0.000	2	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]BrH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2{1|Br<1>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]BrH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.2520	0.024	2	109.2520	0.001	2	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	108.9157	0.057	3	108.9157	0.003	3	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2{1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|O<2>}	H(C[6]C[5,6,6]C[6]H)	108.9605	0.005	2	108.9147	0.043	15	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.3780	0.000	1	108.9147	0.043	15	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	108.9518	0.161	12	108.9147	0.043	15	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5,6,6]C[6]H)	109.0595	0.022	2	109.0420	0.001	3	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5,6,6]C[6]H)	109.0070	0.000	1	109.0420	0.001	3	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5a,6]C[5,6]N[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5a,6]C[5,6]N[5,6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	108.1575	1.552	2	108.1575	2.409	2	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5a,6]C[5,6]O[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5a,6]C[5,6]O[5,6])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|O<2>}	H(C[6]C[5,6,6]C[6]H)	109.2580	0.006	2	109.2580	0.000	2	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	109.0530	0.014	2	108.8928	2.256	9	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	108.6610	2.423	4	108.8928	2.256	9	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	109.1815	0.062	2	108.8928	2.256	9	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{5|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	108.9220	0.000	1	108.8928	2.256	9	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[6,6]N[5,6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[6,6]N[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.2675	0.028	2	109.2675	0.001	2	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6,6]C[6]H)	109.0645	0.050	2	109.7728	0.313	6	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[5,6,6]C[6]H)	110.1270	0.140	4	109.7728	0.313	6	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6,6]C[6]H)	109.2305	0.005	2	109.2305	0.000	2	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[6,6a]C[5,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[6,6a]C[5,6]2)(C[6]C[6]HH)(H)2{1|C<4>,1|S<3>,3|C<3>,5|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.7250	0.017	2	108.7250	0.000	2	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[5,6,6]C[6]H)	109.1220	0.000	1	109.0983	0.004	7	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]HH)(H)2{3|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	109.1765	0.008	2	109.0983	0.004	7	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]HH)(H)2{3|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[5,6,6]C[6]H)	109.0532	0.035	4	109.0983	0.004	7	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]N[5,5,6]C[5,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]N[5,5,6]C[5,6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.2305	0.021	2	109.2305	0.000	2	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]N[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]N[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[5,6,6]C[6]H)	109.2285	0.016	2	109.2285	0.000	2	109.1030	0.885	364	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]CH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[6]N[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.1880	0.048	2	109.1880	0.002	2	108.9064	0.248	5	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]CH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.3715	0.043	2	108.3715	0.002	2	108.9064	0.248	5	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]N[6]HH)(H)2{1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(N[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	109.4130	0.000	1	109.4130	0.000	1	108.9064	0.248	5	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]BrH)(Br)(H)	C[6](C[6]C[5,6]BrH)(C[6]C[6]BrH)(Br)(H)	H(C[6]C[5,6]C[6]Br)	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]BrH)(Br)(H){1|Br<1>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]BrH)(C[6]C[6]BrH)(Br)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(C[6]C[5,6]C[6]Br)	105.8800	0.024	2	105.8800	0.001	2	107.6183	4.029	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]BrH)(Br)(H)	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]HH)(Br)(H)	H(C[6]C[5,6]C[6]Br)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]BrH)(Br)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]HH)(Br)(H){1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]Br)	109.3565	0.037	2	109.3565	0.001	2	107.6183	4.029	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]Br)	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6]HH)(Br)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]Br)	108.7820	0.000	1	108.7820	0.000	1	108.5638	0.523	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]Br)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Br)(H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]Br)	109.0310	0.000	1	108.6957	0.141	3	108.5638	0.523	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]Br)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Br)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]Br)	108.5280	0.335	2	108.6957	0.141	3	108.5638	0.523	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]Br)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(Br)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]Br)	108.1180	0.000	1	108.1180	0.000	1	108.5638	0.523	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]Br)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]Br)	110.5260	0.000	1	108.9550	1.934	3	108.5638	0.523	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]Br)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(Br)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]Br)	108.1695	0.407	2	108.9550	1.934	3	108.5638	0.523	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[5,6]BrH)(C[6]C[6,6a]CH)(H)2	H(C[6]C[5,6]C[6]Br)	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]HH)(Br)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]BrH)(C[6]C[6,6a]CH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]Br)	108.1250	0.000	1	108.1250	0.000	1	108.5638	0.523	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[5,6]BrH)(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]Br)	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]HH)(Br)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]BrH)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[5,6]C[6]Br)	108.0760	0.000	1	108.0760	0.000	1	108.5638	0.523	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6,6a]O[5]2)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[5,6]BrH)(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]Br)	C[6](C[5,6]C[6,6a]O[5]2)(C[6]C[6]HH)(Br)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]BrH)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|O<2>}	H(C[6]C[5,6]C[6]Br)	107.9490	0.000	1	107.9490	0.000	1	108.5638	0.523	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]BrH)(H)2	H(C[6]C[5,6]C[6]Br)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(Br)(H){2|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]BrH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]Br)	108.7640	0.000	1	108.7640	0.000	1	108.5638	0.523	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[5,6]ClH)(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]Cl)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]ClH)(C[6]C[5,6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]Cl)	111.5550	0.000	1	111.5550	0.000	1	110.1413	18.574	9	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]Cl)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]Cl)	108.3260	0.000	1	108.6980	0.195	3	110.1413	18.574	9	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]Cl)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]Cl)	109.1860	0.000	1	108.6980	0.195	3	110.1413	18.574	9	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]Cl)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]Cl)	108.5820	0.000	1	108.6980	0.195	3	110.1413	18.574	9	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]Cl)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(Cl)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[5,6]C[6]Cl)	108.6830	0.000	1	108.4515	0.107	2	110.1413	18.574	9	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]Cl)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(Cl)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]Cl)	108.2200	0.000	1	108.4515	0.107	2	110.1413	18.574	9	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]Cl)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(Cl)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]Cl)	107.2360	0.000	1	107.2360	0.000	1	110.1413	18.574	9	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[5,6]ClH)(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]Cl)	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]HH)(Cl)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]ClH)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[5,6]C[6]Cl)	108.2860	0.000	1	108.2860	0.000	1	110.1413	18.574	9	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6,6a]O[5]2)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[5,6]ClH)(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]Cl)	C[6](C[5,6]C[6,6a]O[5]2)(C[6]C[6]HH)(Cl)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]ClH)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|O<2>}	H(C[6]C[5,6]C[6]Cl)	121.1980	0.000	1	121.1980	0.000	1	110.1413	18.574	9	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]FH)(F)(H)	C[6](C[6]C[5,6]FH)(C[6]C[5,6]HO)(F)(H)	H(C[6]C[5,6]C[6]F)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]FH)(F)(H){1|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]FH)(C[6]C[5,6]HO)(F)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]F)	108.4090	0.120	2	108.4090	0.014	2	109.2563	0.514	6	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]FH)(F)(H)	C[6](C[6]C[5,6]FH)2(F)(H)	H(C[6]C[5,6]C[6]F)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]FH)2(F)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]F)	109.4125	0.322	2	109.4125	0.104	2	109.2563	0.514	6	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]FH)(F)(H)	C[6](C[6]C[5,6]FH)2(F)(H)	H(C[6]C[5,6]C[6]F)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]FH)(F)(H){1|F<1>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]FH)2(F)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]F)	109.9475	0.111	2	109.9475	0.012	2	109.2563	0.514	6	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(F)(H)	C[6](C[6]C[5,6]FH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]F)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(F)(H){2|H<1>,5|C<4>}	C[6](C[6]C[5,6]FH)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]F)	109.2260	0.000	1	109.2260	0.000	1	108.6608	0.218	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]HH)(F)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]FH)(H)2	H(C[6]C[5,6]C[6]F)	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]HH)(F)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]FH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]F)	108.4723	0.337	3	108.4723	0.114	3	108.6608	0.218	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]B[6]HH)(H)2	C[6](B[6]C[6a]2P[6])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]B[6]HH)(H)2{1|H<1>,1|P<4>,2|C<3>,2|C<4>}	C[6](B[6]C[6a]2P[6])(C[6]C[5,6]HH)(H)2{1|Fe<10>,2|C<4>,6|C<3>}	H(C[6]C[5,6]C[6]H)	109.6245	0.011	2	109.6245	0.000	2	109.6245	0.000	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,5,6]HH)(H)2	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,5,6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[5,6]HH)(H)2{2|O<2>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	108.9267	2.612	4	109.2153	4.295	6	109.1081	3.659	7	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,5,6]HH)(H)2	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,5,6]HH)(H)2{1|O<2>,5|C<4>}	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[5,6]HH)(H)2{1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.7925	0.008	2	109.2153	4.295	6	109.1081	3.659	7	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[3,5,6]HH)(H)2	C[6](C[3,5,6]C[3,5]C[3,6]N[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[3,5,6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[3,5,6]C[3,5]C[3,6]N[5])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	108.4650	0.000	1	108.4650	0.000	1	109.1081	3.659	7	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[3,6,6]HH)(H)2	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{3|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.0960	0.000	1	109.0960	0.000	1	108.8022	0.393	43	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{3|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	108.9360	0.054	2	108.8166	0.048	31	108.8022	0.393	43	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{1|C<3>,3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.6860	0.000	1	108.8166	0.048	31	108.8022	0.393	43	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{3|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	108.7600	0.140	26	108.8166	0.048	31	108.8022	0.393	43	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2{2|C<3>,5|C<4>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{1|C<3>,3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	108.9985	0.023	2	108.8166	0.048	31	108.8022	0.393	43	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[6]C[5,6]HH)(H)2{7|C<4>}	H(C[6]C[5,6]C[6]H)	109.4940	0.331	2	109.4940	0.110	2	108.8022	0.393	43	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2	C[6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{3|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	107.6333	1.213	4	107.6333	1.472	4	108.8022	0.393	43	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[3,6,6]HH)(H)2	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[6]C[5,6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.1810	1.141	3	109.1810	1.303	3	108.8022	0.393	43	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[3,6,6]HH)(H)2	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[5,6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.5085	0.022	2	109.5085	0.000	2	108.8022	0.393	43	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[3,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1885	0.069	4	109.1885	0.005	4	109.3460	0.062	6	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6,6]C[3]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[3,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6,6]C[3]H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.6610	0.023	2	109.6610	0.001	2	109.3460	0.062	6	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3x5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[3x5,6]HH)(H)2	C[6](C[3x5,6]C[5,5,6]C[5,5]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[3x5,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[6](C[3x5,6]C[5,5,6]C[5,5]2)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	107.8585	0.013	2	107.8585	0.000	2	107.8585	0.000	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,3x6]C[5]C)(C[6]C[3x6]HH)(H)2	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,3x6]C[5]C)(C[6]C[3x6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	110.8520	2.268	2	110.8520	5.146	2	109.1772	1.093	42	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6,6]N[5]C)(C[6]C[3x6]HH)(H)2	C[6](C[3x6]C[5,3x6]C[6]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6,6]N[5]C)(C[6]C[3x6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[3x6]C[5,3x6]C[6]2)(C[6]C[5,6]HH)(H)2{1|N<3>,1|N<4>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	108.7005	0.045	2	108.7005	0.002	2	109.1772	1.093	42	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]O[5])(C[6]C[3x6]HH)(H)2	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]O[5])(C[6]C[3x6]HH)(H)2{1|N<3>,2|H<1>,3|C<4>,3|O<2>}	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.9435	0.059	2	109.0387	0.014	4	109.1772	1.093	42	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]O[5])(C[6]C[3x6]HH)(H)2	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]O[5])(C[6]C[3x6]HH)(H)2{1|N<3>,2|H<1>,3|C<4>,3|O<2>}	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<4>,1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.1340	0.035	2	109.0387	0.014	4	109.1772	1.093	42	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[3x6]HH)(H)2	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	108.6628	0.204	4	108.6628	0.042	4	109.1772	1.093	42	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[3x6]HH)(H)2	C[6](C[3x6]C[5,4x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[3x6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[3x6]C[5,4x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.2235	1.777	4	109.2235	3.156	4	109.1772	1.093	42	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3x6]HH)(H)2	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3x6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.2640	0.000	1	109.2640	0.000	1	109.1772	1.093	42	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3x6]HH)(H)2	C[6](C[3x6]C[4,3x6]C[3x6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3x6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[3x6]C[4,3x6]C[3x6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.0413	0.134	3	109.0413	0.018	3	109.1772	1.093	42	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.2505	0.019	2	109.1546	1.445	16	109.1772	1.093	42	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.0110	0.017	2	109.1546	1.445	16	109.1772	1.093	42	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.3235	0.013	2	109.1546	1.445	16	109.1772	1.093	42	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.1958	1.801	6	109.1546	1.445	16	109.1772	1.093	42	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.0320	1.325	4	109.1546	1.445	16	109.1772	1.093	42	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[3x6]HH)(H)2	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.1350	0.021	2	109.1350	0.000	2	109.1772	1.093	42	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3x6]HH)(H)2	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3x6]HH)(H)2{1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[5,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.9115	0.008	2	108.9115	0.000	2	109.1772	1.093	42	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[3x6]HH)(H)2	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[3x6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.8415	0.022	2	109.8415	0.000	2	109.1772	1.093	42	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]HH)(H)2	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]HH)(H)2{1|Cl<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.9290	0.033	2	108.9782	0.005	6	109.4633	1.053	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]HH)(H)2	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]HH)(H)2{1|Cl<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]C[5,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.0027	0.079	4	108.9782	0.005	6	109.4633	1.053	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[4,6]HH)(H)2	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[4,6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	111.0935	1.689	2	111.0935	2.854	2	109.4633	1.053	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[4,6]HH)(H)2	C[6](C[4,6]C[4]C[6]O[4])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[4,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[4,6]C[4]C[6]O[4])(C[6]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[5,6]C[6]H)	109.3100	1.389	2	109.3100	1.929	2	109.4633	1.053	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[4,6]HH)(H)2	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[4,6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[5,6]HH)(H)2{1|S<4>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.4415	0.012	2	109.4415	0.000	2	109.4633	1.053	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[4x6]HH)(H)2	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[4x6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	108.1380	0.000	1	108.0680	0.003	5	108.0680	0.003	5	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[4x6]HH)(H)2	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[4x6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.0505	0.041	4	108.0680	0.003	5	108.0680	0.003	5	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[5,5,6,6]BrH)(H)2	C[6](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,5])(C[6]C[5,6]HH)(Br)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[5,5,6,6]BrH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,5])(C[6]C[5,6]HH)(Br)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.8912	0.056	4	109.8912	0.003	4	109.8912	0.003	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[5,5,6]HH)(H)2	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[5,5,6]HH)(H)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|H<1>,3|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.6315	0.050	2	109.6315	0.003	2	109.2735	0.117	19	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(H)2	C[6](C[5,5,6]C[5,5,6]2C[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,5,6]C[5,5,6]2C[5])(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.9940	0.027	2	108.9940	0.001	2	109.2735	0.117	19	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,5,6]HH)(H)2	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{2|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.9680	0.076	2	108.9313	0.004	4	109.2735	0.117	19	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,5,6]HH)(H)2	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,5,6]HH)(H)2{1|H<1>,6|C<4>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|C<3>,2|O<2>,4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	108.8945	0.023	2	108.9313	0.004	4	109.2735	0.117	19	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,5,6]HH)(H)2	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[5,6]HH)(H)2{1|C<2>,1|N<3>,3|C<4>,5|C<3>}	H(C[6]C[5,6]C[6]H)	109.7085	0.035	2	109.3183	0.457	3	109.2735	0.117	19	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,5,6]HH)(H)2	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,5,6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>,5|C<3>}	H(C[6]C[5,6]C[6]H)	108.5380	0.000	1	109.3183	0.457	3	109.2735	0.117	19	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,5,6]HH)(H)2	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,5,6]HH)(H)2{2|H<1>,5|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]HH)(H)2{3|H<1>,3|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.3105	0.146	4	109.3105	0.021	4	109.2735	0.117	19	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,5,6]HH)(H)2	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,5,6]HH)(H)2{2|H<1>,5|C<4>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{2|N<2>,2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.5255	0.018	2	109.5255	0.000	2	109.2735	0.117	19	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[5,5,6]HH)(H)2	C[6](C[5,5,6]C[3x5,6,6]C[4x5,3x6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[5,5,6]HH)(H)2{3|C<4>,3|H<1>}	C[6](C[5,5,6]C[3x5,6,6]C[4x5,3x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.4860	0.013	2	109.4860	0.000	2	109.2735	0.117	19	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[3,5,6,6]C[6,6]O[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6](C[5,6,6]C[3,5,6,6]C[6,6]O[5])(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,7|C<4>}	H(C[6]C[5,6]C[6]H)	109.0680	0.060	5	109.0680	0.004	5	109.5446	0.924	24	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|O<2>,2|N<3>,3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	109.1385	0.009	2	109.1385	0.000	2	109.5446	0.924	24	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[5,6,6]HH)(H)2{1|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[5,6]HH)(H)2{1|O<2>,4|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.5435	0.022	2	109.5435	0.000	2	109.5446	0.924	24	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,5,6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,5,6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.0320	0.000	1	109.0320	0.000	1	109.5446	0.924	24	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]O[5,6]C[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]O[5,6]C[5])(C[6]C[5,6]HH)(H)2{2|C<3>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.4493	0.028	3	109.4493	0.001	3	109.5446	0.924	24	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,6,6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.3450	0.027	2	109.3450	0.001	2	109.5446	0.924	24	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.2735	0.016	2	109.2735	0.000	2	109.5446	0.924	24	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>,3|O<2>}	H(C[6]C[5,6]C[6]H)	109.3585	0.026	2	109.3585	0.001	2	109.5446	0.924	24	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>,3|O<2>}	H(C[6]C[5,6]C[6]H)	109.3250	0.000	1	109.3250	0.000	1	109.5446	0.924	24	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6,6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[5,6]HH)(H)2{2|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.2340	0.030	2	109.2340	0.001	2	109.5446	0.924	24	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	112.6195	0.193	2	112.6195	0.037	2	109.5446	0.924	24	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.9090	0.034	2	109.9090	0.001	2	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.2565	0.178	4	109.2565	0.032	4	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.1310	0.340	6	109.2455	0.128	8	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2{2|O<2>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(H)2{1|F<1>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.5890	0.028	2	109.2455	0.128	8	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|O<2>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.9355	0.005	2	110.0658	0.018	9	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[5,6]HH)(H)2{2|C<3>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.1788	0.027	5	110.0658	0.018	9	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[5,6]HH)(H)2{3|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.9135	0.018	2	110.0658	0.018	9	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.5335	0.036	2	108.5335	0.001	2	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.1150	0.000	1	109.2713	0.019	3	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.3495	0.029	2	109.2713	0.019	3	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[5,6]HH)(H)2{3|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.2090	0.008	2	108.2090	0.000	2	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(H)2{2|H<1>,3|C<4>,3|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	108.8565	0.008	2	108.8565	0.000	2	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.9325	0.015	2	108.9325	0.000	2	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	108.4240	0.000	1	108.4240	0.000	1	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5]O)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5]O)(C[6]C[5,6]HH)(H)2{1|C<3>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.6833	0.025	3	109.6833	0.001	3	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	108.7810	0.023	2	108.6312	0.022	6	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.5563	0.121	4	108.6312	0.022	6	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.5376	0.157	8	109.5376	0.025	8	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[5,6]HH)(H)2{6|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<3>}	H(C[6]C[5,6]C[6]H)	110.3223	0.112	3	110.3223	0.012	3	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.8415	1.582	4	109.5431	1.889	10	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.6615	0.008	2	109.5431	1.889	10	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.5545	0.011	2	109.5431	1.889	10	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2{1|O<2>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	110.8165	2.063	2	109.5431	1.889	10	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(H)2{1|O<2>,5|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2{1|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	108.4800	0.020	2	108.4800	0.000	2	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.3310	0.035	2	109.3310	0.001	2	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[5,6]C[6]H)	108.8425	0.016	2	108.8425	0.000	2	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[5,6]HH)(H)2{3|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	108.8430	0.047	2	108.7054	0.022	9	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[5,6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6]C[5,6]C[6]H)	108.6245	0.098	6	108.7054	0.022	9	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	108.9160	0.000	1	108.7054	0.022	9	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[5,6]HH)(H)2{3|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.9350	0.068	2	108.9350	0.005	2	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.3465	0.016	2	109.2275	1.842	10	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.5973	1.843	4	109.2275	1.842	10	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2{1|O<2>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	108.5000	2.174	2	109.2275	1.842	10	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]H)	109.0965	0.026	2	109.2275	1.842	10	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,7|C<4>}	H(C[6]C[5,6]C[6]H)	109.0270	0.149	4	109.0270	0.022	4	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.8690	3.743	2	109.3080	3.009	6	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.1910	0.016	2	109.3080	3.009	6	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.8640	0.028	2	109.3080	3.009	6	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.1647	0.111	4	109.4064	0.120	20	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.3270	0.044	4	109.4064	0.120	20	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.3870	0.000	1	109.4064	0.120	20	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.3075	0.039	2	109.4064	0.120	20	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,1|S<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.5731	0.462	9	109.4064	0.120	20	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[5,6]HH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.9235	0.036	2	108.9235	0.001	2	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.3203	0.056	4	109.5379	0.045	10	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.9280	0.000	1	109.5379	0.045	10	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.6340	0.050	5	109.5379	0.045	10	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	108.3407	0.016	4	108.3407	0.000	4	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.2680	0.043	4	109.2680	0.002	4	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.0750	0.023	2	109.0750	0.001	2	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.6915	0.066	2	108.6915	0.004	2	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0305	0.061	4	109.0163	0.003	6	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.9880	0.020	2	109.0163	0.003	6	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	110.4520	0.146	2	109.8487	0.252	6	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.7380	0.034	2	109.8487	0.252	6	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.3560	0.014	2	109.8487	0.252	6	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.7629	0.792	7	108.7629	0.628	7	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<1>,1|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.8110	0.092	2	109.4215	0.328	4	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|O<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.0320	0.607	2	109.4215	0.328	4	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.3372	0.172	6	109.2592	0.042	8	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(H)2{1|F<1>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2{2|O<2>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.0255	0.015	2	109.2592	0.042	8	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|O<2>,4|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.8600	0.020	2	108.8600	0.000	2	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5,6]N[5]O)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,5,6]N[5]O)(C[6]C[5,6]HH)(H)2{1|C<3>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.4805	0.153	4	109.4805	0.023	4	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,6]HH)(H)2{1|O<2>,6|C<4>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.0265	0.011	2	109.0265	0.000	2	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2{1|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(H)2{1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	109.3650	0.000	1	109.3650	0.000	1	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.5740	0.163	3	109.6936	0.630	21	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.0867	0.171	4	109.6936	0.630	21	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.0390	0.008	2	109.6936	0.630	21	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,1|S<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.5674	1.115	10	109.6936	0.630	21	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.3720	0.004	2	109.6936	0.630	21	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	111.0734	1.295	8	111.0734	1.676	8	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[5,6]HH)(H)2{2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.3790	0.010	2	109.3790	0.000	2	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<3>}	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[5,6]HH)(H)2{6|C<3>}	H(C[6]C[5,6]C[6]H)	108.4230	0.056	4	108.4230	0.003	4	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.2217	0.021	3	109.2217	0.000	3	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,6|C<3>}	H(C[6]C[5,6]C[6]H)	109.6515	0.023	2	108.9573	0.157	27	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	108.9710	0.011	2	108.9573	0.157	27	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>,5|C<3>}	H(C[6]C[5,6]C[6]H)	108.5975	0.552	4	108.9573	0.157	27	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<4>,4|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	108.9550	0.028	2	108.9573	0.157	27	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,6|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.8815	0.025	2	108.9573	0.157	27	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,6|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.9995	0.429	4	108.9573	0.157	27	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>,5|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	108.7138	0.096	4	108.9573	0.157	27	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>,5|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2{1|N<3>,4|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.0090	0.016	2	108.9573	0.157	27	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,6|C<3>}	H(C[6]C[5,6]C[6]H)	108.8300	0.062	3	108.9573	0.157	27	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2{1|N<3>,4|H<1>,5|C<4>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>,5|C<3>}	H(C[6]C[5,6]C[6]H)	109.5885	0.018	2	108.9573	0.157	27	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.3180	0.130	4	109.3180	0.017	4	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]N[5]2)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]N[5]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]N[5]2)(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[6]N[5]2)(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1908	0.037	4	109.1908	0.001	4	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{2|H<1>,5|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(H)2{2|H<1>,3|C<4>,3|O<2>}	H(C[6]C[5,6]C[6]H)	109.7015	0.009	2	109.7015	0.000	2	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.2862	0.052	4	109.0005	0.059	11	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	H(C[6]C[5,6]C[6]H)	108.6980	0.016	2	109.0005	0.059	11	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.8928	0.059	5	109.0005	0.059	11	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|O<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.8560	1.328	2	109.4228	0.841	4	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<1>,1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.9895	0.097	2	109.4228	0.841	4	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.7200	0.006	2	109.7200	0.000	2	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.2067	0.062	3	109.2067	0.004	3	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.4125	0.050	4	109.4125	0.003	4	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.4056	0.104	10	109.4056	0.011	10	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,6]HH)(H)2{1|O<2>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.1150	0.000	1	109.1150	0.000	1	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.7290	0.027	2	109.7290	0.001	2	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.5885	0.032	2	109.5885	0.001	2	109.3048	0.545	300	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:O-1:	C[6]-4:	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(H)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[5,6]HO)(H)2{2|H<1>,6|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(H)(O){3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	107.7880	0.018	2	107.7880	0.000	2	107.7880	0.000	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]FH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(F)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]FH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(F)(H){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.0225	0.054	2	109.0225	0.003	2	109.0225	0.003	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[3,5,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.8040	0.075	2	109.8040	0.006	2	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[5,6]C[6]H)	108.9640	0.000	1	108.9640	0.000	1	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[5,6]C[6]H)	108.8900	0.008	2	108.9919	0.048	10	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]H)	109.1950	0.021	2	108.9919	0.048	10	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.0630	0.025	2	108.9919	0.048	10	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{3|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.1710	0.074	2	108.9919	0.048	10	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[5,6]C[6]H)	108.6405	0.025	2	108.9919	0.048	10	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{8|C<4>}	H(C[6]C[5,6]C[6]H)	109.1380	0.016	2	109.1380	0.000	2	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.5930	0.106	8	109.4229	0.100	18	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]H)	109.5298	0.089	4	109.4229	0.100	18	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.0705	0.011	2	109.4229	0.100	18	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.5900	0.062	2	109.4229	0.100	18	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]H)	108.7145	0.012	2	109.4229	0.100	18	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[3,5]C[5]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6]C[5,6]C[6]H)	108.6820	0.011	2	108.6820	0.000	2	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[3x5]C[5,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3x5]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.4143	0.087	4	109.4143	0.008	4	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[4,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[4,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.4950	0.105	4	109.4950	0.011	4	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]2H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2185	0.006	2	109.2185	0.000	2	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6]C)(C[6]C[6,6]HH)(H)2{3|C<3>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	107.8510	0.000	1	107.8510	0.000	1	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	108.9645	0.064	2	108.9645	0.004	2	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.8931	0.090	8	108.8931	0.008	8	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.2529	0.570	8	109.2529	0.325	8	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.4235	2.550	4	109.3670	0.269	89	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.4575	0.025	2	109.3670	0.269	89	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.3095	0.379	21	109.3670	0.269	89	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.5962	0.246	5	109.3670	0.269	89	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.5010	0.052	4	109.3670	0.269	89	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.3986	0.103	21	109.3670	0.269	89	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.3040	0.008	2	109.3670	0.269	89	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]H)	109.3197	0.101	30	109.3670	0.269	89	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.3421	0.071	7	109.3732	0.008	9	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]H)	109.4820	0.016	2	109.3732	0.008	9	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.0757	0.048	3	109.2439	0.047	7	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.5475	0.035	2	109.2439	0.047	7	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.1925	0.006	2	109.2439	0.047	7	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5a]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5a]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.6460	0.099	7	109.6109	0.009	11	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5a]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5a]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.5375	0.081	2	109.6109	0.009	11	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5a]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5a]C[5,6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.5615	0.062	2	109.6109	0.009	11	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5a]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5a]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[5,6]C[6]H)	109.5795	0.052	2	109.4735	0.011	6	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5a]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5a]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.4205	0.084	4	109.4735	0.011	6	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5a]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5a]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.5815	0.012	4	109.5815	0.000	4	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|Br<1>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.8710	0.000	1	108.8710	0.000	1	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|O<2>,2|O<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.6423	0.115	4	108.6423	0.013	4	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|N<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.3890	0.031	2	109.3890	0.001	2	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[5,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3765	0.050	2	109.3765	0.003	2	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.5930	0.004	2	108.5930	0.000	2	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.3318	0.706	5	109.3318	0.498	5	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6,6]HH)(H)2{1|N<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	108.6375	0.049	2	108.6375	0.002	2	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]H)	109.6220	0.035	2	109.6220	0.001	2	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]H)	109.4275	0.071	11	109.4275	0.005	11	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{8|C<4>}	H(C[6]C[5,6]C[6]H)	109.2525	0.015	2	109.3313	0.010	4	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{8|C<4>}	H(C[6]C[5,6]C[6]H)	109.4100	0.065	2	109.3313	0.010	4	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.2780	0.041	2	109.2780	0.006	6	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.2455	0.029	2	109.2780	0.006	6	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.3105	0.155	2	109.2780	0.006	6	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.3540	0.000	1	109.3540	0.000	1	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.0670	0.192	4	109.0670	0.037	4	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.4240	0.014	2	109.4240	0.000	2	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.8310	0.215	4	108.8310	0.046	4	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]H)	108.7810	0.000	1	108.9979	0.050	7	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	108.7585	0.019	2	108.9979	0.050	7	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.1718	0.080	4	108.9979	0.050	7	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[4x6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]C[4x6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[5,6]C[6]H)	108.8145	0.011	2	108.8145	0.000	2	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]H)	109.6535	0.008	2	109.0387	0.050	41	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.1758	0.102	6	109.0387	0.050	41	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|N<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[5,6]C[6]H)	109.0026	0.125	16	109.0387	0.050	41	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[5,6]C[6]H)	108.9140	0.000	1	109.0387	0.050	41	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.1250	0.027	2	109.0387	0.050	41	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[5,6]C[6]H)	108.9853	0.154	12	109.0387	0.050	41	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6]C[5,6]C[6]H)	108.5970	0.346	2	109.0387	0.050	41	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[5,6]HH)(H)2{8|C<4>}	H(C[6]C[5,6]C[6]H)	108.4205	0.060	2	108.4205	0.004	2	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.2590	0.028	2	109.2590	0.001	2	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]O[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]O[6]C)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.9415	0.015	2	108.9415	0.000	2	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.8810	0.024	2	108.8810	0.001	2	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.6100	0.096	3	109.2475	0.310	15	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6]C[5,6]C[6]H)	108.7360	0.000	1	109.2475	0.310	15	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]H)	109.2730	0.000	1	109.2475	0.310	15	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]H)	109.1873	0.635	10	109.2475	0.310	15	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[5,6]C[6]H)	107.7415	0.565	2	109.3314	0.202	41	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.1563	0.074	3	109.3314	0.202	41	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.6990	0.099	8	109.3314	0.202	41	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]H)	109.3586	0.229	28	109.3314	0.202	41	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.4545	0.021	2	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{3|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	110.4032	1.960	6	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.5205	0.016	2	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.4885	0.040	2	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.2217	0.551	10	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.4851	0.157	17	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.4772	0.037	4	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]H)	109.0327	0.090	3	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.6153	0.166	4	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|I<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.4665	0.229	4	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.6857	0.064	4	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.6661	0.140	13	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.0660	0.034	3	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.7605	0.008	2	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.2787	0.360	19	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.3527	0.080	7	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.3103	0.098	6	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]H)	108.8250	0.239	21	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	108.7550	1.335	2	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.3390	0.016	2	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[5,6]C[6]H)	108.6510	0.000	1	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.3106	0.165	7	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.3045	0.005	2	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.3097	0.368	6	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.5335	0.011	2	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[5,6]C[6]H)	108.6670	0.072	21	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{3|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.1130	0.014	2	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.4813	0.393	36	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.1958	0.117	4	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.4145	0.058	4	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]H)	109.3062	0.204	13	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.1670	0.000	1	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.7024	0.055	10	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.6980	0.000	1	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.9515	0.128	6	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.0717	0.061	3	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.1440	0.000	1	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|I<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.4822	0.074	6	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|N<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.3553	0.426	6	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.4805	0.049	2	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.1045	0.033	2	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.6617	0.557	93	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.6200	0.000	1	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.6763	0.084	35	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.5522	0.209	6	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.5885	0.119	6	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6]C[5,6]C[6]H)	108.6080	0.000	1	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	108.9530	1.254	2	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.4340	0.038	2	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.4351	0.152	9	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.3100	0.041	2	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.4435	0.040	4	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]H)	109.3754	0.604	68	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.3677	0.091	19	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.4440	0.051	2	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.3795	0.038	4	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]H)	110.1653	2.551	24	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.0353	0.178	3	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.3140	0.034	2	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.3837	0.413	16	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.6600	0.011	2	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6]C[5,6]C[6]H)	108.1449	0.327	8	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[5,6]C[6]H)	108.8890	0.054	2	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	110.7325	0.527	2	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.3270	0.033	2	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.2282	0.380	162	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.2193	0.160	14	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	108.8075	0.107	2	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]H)	109.1603	0.293	114	109.3531	0.415	876	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.1700	0.000	1	109.2863	0.010	3	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.3445	0.008	2	109.2863	0.010	3	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.7540	0.042	2	110.0159	0.891	8	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|O<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.1905	0.015	2	110.0159	0.891	8	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.6270	0.252	2	110.0159	0.891	8	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	111.4920	0.093	2	110.0159	0.891	8	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[5,6]C[6]H)	108.7210	0.066	2	109.2814	0.123	8	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.4303	0.036	4	109.2814	0.123	8	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]H)	109.5440	0.010	2	109.2814	0.123	8	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[5,6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.3215	0.012	2	109.3215	0.000	2	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.2565	0.545	2	109.3839	0.573	217	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.3560	0.049	2	109.3839	0.573	217	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.3758	0.766	66	109.3839	0.573	217	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.8925	0.032	2	109.3839	0.573	217	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	104.5390	1.243	2	109.3839	0.573	217	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.1060	0.011	2	109.3839	0.573	217	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.6052	0.188	51	109.3839	0.573	217	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.4700	0.066	2	109.3839	0.573	217	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.4082	0.704	60	109.3839	0.573	217	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.2680	0.021	2	109.3839	0.573	217	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.0914	0.414	5	109.3839	0.573	217	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.4747	0.316	7	109.3839	0.573	217	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{2|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.6565	0.018	2	109.3839	0.573	217	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.3600	0.090	4	109.3839	0.573	217	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.0858	0.178	4	109.3839	0.573	217	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.6223	0.029	4	109.3839	0.573	217	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[5,6]HH)(H)2{2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.4760	0.000	1	109.4760	0.000	1	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	107.8005	0.088	2	107.8005	0.008	2	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	108.9885	0.037	4	108.9889	0.011	8	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.1220	0.013	2	108.9889	0.011	8	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.8565	0.039	2	108.9889	0.011	8	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[4x6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.2330	0.024	2	109.1272	0.236	5	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[4x6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	108.9330	0.000	1	109.1272	0.236	5	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[4x6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.1185	0.940	2	109.1272	0.236	5	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.3783	0.024	4	109.0692	0.070	32	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.2045	0.045	2	109.0692	0.070	32	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.2650	0.008	2	109.0692	0.070	32	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.2300	0.021	4	109.0692	0.070	32	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]H)	108.6569	0.069	8	109.0692	0.070	32	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.2515	0.035	4	109.0692	0.070	32	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.0763	0.116	4	109.0692	0.070	32	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.0600	0.011	2	109.0692	0.070	32	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]H)	109.0780	0.068	2	109.0692	0.070	32	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.3067	0.129	6	109.3067	0.017	6	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.9896	0.166	5	108.9896	0.027	5	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	108.9830	0.023	2	108.9830	0.001	2	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.2490	0.032	3	109.2490	0.001	3	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.1023	0.031	3	109.1023	0.001	3	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	110.2101	1.013	8	109.9760	1.601	24	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	110.0627	0.064	3	109.9760	1.601	24	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.6742	0.585	6	109.9760	1.601	24	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|N<2>,6|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.3370	0.000	1	109.9760	1.601	24	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	112.5915	1.546	2	109.9760	1.601	24	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	110.2472	0.416	4	109.9760	1.601	24	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]H)	109.5820	0.008	2	109.8967	0.199	33	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.2135	0.013	2	109.8967	0.199	33	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]H)	110.5525	0.833	4	109.8967	0.199	33	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]H)	110.0765	0.071	4	109.8967	0.199	33	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.8550	0.008	2	109.8967	0.199	33	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	110.2950	0.042	4	109.8967	0.199	33	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]H)	109.7122	0.091	13	109.8967	0.199	33	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.6680	0.054	2	109.8967	0.199	33	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	110.0425	0.060	4	110.1042	0.012	6	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	110.2275	0.045	2	110.1042	0.012	6	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.0135	0.046	2	110.1030	0.077	42	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	110.0545	0.015	2	110.1030	0.077	42	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	110.2903	0.055	4	110.1030	0.077	42	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.2890	0.010	2	110.1030	0.077	42	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.3298	0.052	4	110.1030	0.077	42	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.9331	0.447	11	110.1030	0.077	42	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.9477	0.049	4	110.1030	0.077	42	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.1423	0.145	11	110.1030	0.077	42	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|Se<2>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.2570	0.013	2	110.1030	0.077	42	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]H)	110.1710	0.023	2	109.7971	0.199	38	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.8325	0.016	2	109.7971	0.199	38	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.4850	0.011	2	109.7971	0.199	38	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	108.6875	0.231	2	109.7971	0.199	38	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]H)	109.9733	0.117	4	109.7971	0.199	38	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.8090	0.048	4	109.7971	0.199	38	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.5825	0.022	2	109.7971	0.199	38	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.6765	0.053	2	109.7971	0.199	38	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	108.9515	0.033	2	109.7971	0.199	38	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	110.3333	0.053	8	109.7971	0.199	38	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]H)	109.9885	0.013	2	109.7971	0.199	38	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]H)	109.6240	0.104	6	109.7971	0.199	38	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	110.3270	0.057	2	110.3270	0.003	2	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.5130	0.000	1	109.5130	0.000	1	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.8855	0.056	2	108.8855	0.003	2	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.3678	0.217	4	109.3678	0.047	4	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	108.9880	0.048	2	108.9880	0.002	2	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.4580	0.089	2	109.4580	0.008	2	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6]C[5,6]C[6]H)	109.1890	0.064	4	109.1890	0.004	4	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6,6]HH)(H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[5,6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.7790	0.006	2	109.7790	0.000	2	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<2>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.1242	0.087	4	109.0862	0.008	6	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|N<3>,7|C<4>}	H(C[6]C[5,6]C[6]H)	109.0100	0.008	2	109.0862	0.008	6	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	110.4165	0.022	2	110.4165	0.000	2	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]S[6]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|S<2>,3|C<4>}	C[6](C[6,6]C[5,6]S[6]2)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	108.7452	0.137	8	108.7452	0.019	8	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2{1|Cl<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,3|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.3645	0.045	4	108.3645	0.002	4	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2{1|B<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6]C[5,6]C[6]H)	109.3995	0.397	4	109.5778	0.297	17	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6]C[5,6]C[6]H)	109.5502	0.652	10	109.5778	0.297	17	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2{2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6]C[5,6]C[6]H)	109.9077	0.012	3	109.5778	0.297	17	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]O[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,5|C<4>}	C[6](C[6,6]C[5,6,6]O[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.5427	0.037	4	109.5427	0.001	4	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2{6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(H)2{2|H<1>,3|C<4>,3|O<2>}	H(C[6]C[5,6]C[6]H)	110.6320	0.018	2	110.6320	0.000	2	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	110.6530	0.006	2	110.6497	0.000	3	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2{6|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	110.6430	0.000	1	110.6497	0.000	3	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.7650	0.035	2	108.7650	0.001	2	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.5415	0.006	2	109.5415	0.000	2	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(H)2{3|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.7345	0.109	4	108.7345	0.012	4	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.2180	0.041	2	109.0373	0.044	4	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[5,6]C[6]H)	108.8565	0.022	2	109.0373	0.044	4	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.3545	0.190	2	109.3545	0.036	2	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,3|C<3>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2{3|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.1985	0.005	2	109.1985	0.000	2	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[5,6]C[6]H)	108.8705	0.077	2	108.8705	0.006	2	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	108.2025	0.013	2	108.2025	0.000	2	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(H)2{1|N<4>,1|S<2>,2|C<4>,7|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.5050	0.013	2	109.5050	0.000	2	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.2185	0.037	2	109.2185	0.001	2	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6,6]HH)(H)2{1|N<4>,3|C<4>,5|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|S<2>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.3305	0.006	2	109.3305	0.000	2	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	108.6620	0.058	2	108.6620	0.003	2	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[5,6]HH)(H)2{1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.2900	0.049	2	109.2900	0.002	2	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{2|C<4>,2|H<1>,4|O<2>}	H(C[6]C[5,6]C[6]H)	108.9087	0.191	4	108.9087	0.036	4	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6,6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|S<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.6365	0.054	2	109.6365	0.003	2	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.5950	0.047	4	109.5950	0.002	4	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.4135	0.012	2	109.1921	0.064	8	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<4>,2|O<2>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.4425	0.028	2	109.1921	0.064	8	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.9562	0.038	4	109.1921	0.064	8	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{1|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.4905	0.019	2	109.4813	0.001	4	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.4720	0.037	2	109.4813	0.001	4	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[5,6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|O<2>}	H(C[6]C[5,6]C[6]H)	109.4665	0.049	2	109.4665	0.002	2	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6]2N[6])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6]2N[6])(C[6]C[5,6]HH)(H)2{1|N<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6]C[5,6]C[6]H)	109.4123	0.148	4	109.4123	0.022	4	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]S[5]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]S[5]2)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|S<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.9205	2.524	2	108.9205	6.369	2	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]S[5]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]S[5]2)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>,2|S<2>}	H(C[6]C[5,6]C[6]H)	109.1395	0.052	2	109.1395	0.003	2	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]O[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]O[6]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]O[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6,6]C[5,6]O[6]2)(C[6]C[5,6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.9455	0.040	2	109.9455	0.002	2	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.3738	0.104	4	109.3738	0.011	4	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2{2|H<1>,3|C<4>,3|O<2>}	H(C[6]C[5,6]C[6]H)	109.3493	0.013	3	109.3493	0.000	3	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6,6]HH)(H)2{6|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>,3|O<2>}	H(C[6]C[5,6]C[6]H)	108.7820	0.000	1	108.9306	0.009	5	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6,6]HH)(H)2{6|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|H<1>,3|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.9677	0.050	4	108.9306	0.009	5	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6,6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.5090	0.000	1	109.5090	0.000	1	109.3709	0.402	1822	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6,6]C[6]3)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6,6]C[6]3)(H)2{1|N<3>,3|C<4>,7|H<1>}	H(C[6]C[5,6]C[6]H)	109.5955	0.042	2	109.5955	0.002	2	109.5955	0.002	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[6a]C[5])(C[6]C[6]BrH)(H)2	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]HH)(Br)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[6a]C[5])(C[6]C[6]BrH)(H)2{1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]HH)(Br)(H){1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.8657	0.021	3	108.8657	0.000	3	108.8657	0.000	3	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]ClH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(Cl)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]ClH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(Cl)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.6200	0.040	2	109.9712	0.165	4	109.8385	0.142	6	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]ClH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(Cl)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]ClH)(H)2{3|C<4>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[5,6]C[6]H)	110.3225	0.021	2	109.9712	0.165	4	109.8385	0.142	6	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]ClH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]ClH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(Cl)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.5730	0.054	2	109.5730	0.003	2	109.8385	0.142	6	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[3,5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[5,6]HH)(H)2{5|C<4>}	H(C[6]C[5,6]C[6]H)	111.4470	1.855	2	111.4470	3.443	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[3,5,6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5,6]C[5,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.1260	0.020	2	109.1260	0.000	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[3,5,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5,6]C[5,6]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.5870	0.205	2	109.5870	0.042	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[3,5,6]C[5]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]CO)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5,6]C[5]O)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[3,6]CO)(C[6]C[5,6]HH)(H)2{2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.3700	0.081	2	109.3700	0.006	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[3,5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.6947	0.261	4	109.6870	0.052	5	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[3,5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5,6]N[5]H)(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.6560	0.000	1	109.6870	0.052	5	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.4010	0.112	2	109.4010	0.012	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[3,5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2240	0.060	4	109.2240	0.004	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[3,6,6]O[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,6,6]O[5]2)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.6360	0.034	2	108.6360	0.001	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.6175	0.026	2	109.2343	0.712	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.8510	0.783	2	109.2343	0.712	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[4,5,6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[4,5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<3>,2|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1493	0.092	3	109.1493	0.008	3	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(H)2{1|H<1>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.2870	0.020	2	109.2870	0.000	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,4x6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,4x6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.6492	0.261	5	108.8318	0.095	9	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,4x6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,4x6]C[5]C)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.0600	0.196	4	108.8318	0.095	9	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,4x6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,3x6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,4x6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,3x6]HH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.3480	0.021	2	109.3480	0.000	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,4x6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,4x6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.6870	0.020	2	109.6870	0.000	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	111.2223	0.991	4	111.2223	0.982	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	112.3550	2.551	2	112.3550	6.509	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	107.8835	2.102	4	107.8835	4.417	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.0220	0.281	2	110.0220	0.079	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.8505	2.174	2	108.8505	4.728	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.5075	0.021	2	109.2940	0.137	3	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.8670	0.000	1	109.2940	0.137	3	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.9695	0.053	4	108.9695	0.003	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.0244	0.074	5	109.0244	0.006	5	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[5,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.3826	0.145	8	108.3826	0.021	8	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.9640	0.000	2	108.9640	0.000	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.4630	0.000	1	109.1767	0.543	45	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1925	0.054	2	109.1767	0.543	45	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.0178	0.243	32	109.1767	0.543	45	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.9590	0.014	2	109.1767	0.543	45	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3825	0.035	2	109.1767	0.543	45	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	111.1980	3.231	2	109.1767	0.543	45	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	110.1560	0.020	2	109.1767	0.543	45	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0720	0.010	2	109.1767	0.543	45	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]S)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]S)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(H)2{1|S<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.6568	0.045	4	108.6568	0.002	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[6a]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[6a]N[5])(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<4>}	H(C[6]C[5,6]C[6]H)	109.1912	0.038	4	109.1912	0.001	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.1995	0.026	2	110.1995	0.001	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5]Br)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5]Br)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0770	0.023	2	109.0770	0.001	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.2873	0.395	4	109.2873	0.156	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.5990	0.018	2	108.9902	0.105	6	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<4>}	H(C[6]C[5,6]C[6]H)	109.1857	0.146	4	108.9902	0.105	6	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]H)	110.0340	4.872	2	110.0340	23.736	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.2243	0.041	6	108.9450	9.538	10	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.9240	0.013	2	108.9450	9.538	10	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]H)	108.1280	9.167	2	108.9450	9.538	10	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2{1|H<1>,3|O<2>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.3675	0.005	2	109.3738	0.001	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.3800	0.061	2	109.3738	0.001	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|I<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.0420	0.058	2	109.0420	0.003	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	H(C[6]C[5,6]C[6]H)	109.4980	2.698	2	109.4980	7.281	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.3840	0.827	2	108.3840	0.684	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	111.2865	1.784	4	110.0342	2.251	10	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.3895	0.078	2	110.0342	2.251	10	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.9430	0.057	2	110.0342	2.251	10	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.2655	0.182	2	110.0342	2.251	10	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.3915	0.030	2	109.3915	0.001	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.6175	0.984	2	109.6175	0.967	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|H<1>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.3165	0.021	2	109.3165	0.000	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.0655	0.111	2	108.8599	0.062	16	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.0650	0.008	2	108.8599	0.062	16	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.8170	0.281	9	108.8599	0.062	16	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<1>,4|H<1>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]H)	108.7147	0.118	3	108.8599	0.062	16	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1325	0.030	4	109.1325	0.001	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.4003	0.124	11	109.4003	0.015	11	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.2185	0.008	2	109.7557	0.147	7	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.1130	0.000	1	109.7557	0.147	7	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.8260	0.058	2	109.7557	0.147	7	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[5,6]C[6]H)	110.0440	0.020	2	109.7557	0.147	7	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5a]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3164	1.662	11	109.3164	2.762	11	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.3030	0.038	2	109.3030	0.001	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5a]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5a]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0080	0.029	4	109.0080	0.001	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[3,5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[3,5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.3085	0.009	2	109.3085	0.000	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[3]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[3]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.6005	0.015	2	108.7805	0.045	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[3]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[3]C[5])(C[6]C[6]HH)(H)2{2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.9605	0.076	2	108.7805	0.045	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3355	0.029	2	109.3355	0.001	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.9595	0.022	2	108.9595	0.000	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.6580	0.031	2	108.6580	1.230	21	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.1800	0.952	4	108.6580	1.230	21	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.3855	1.124	15	108.6580	1.230	21	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,3|O<2>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.7495	0.019	2	109.6189	0.083	10	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.6710	0.007	2	109.6189	0.083	10	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.6855	0.121	2	109.6189	0.083	10	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.4942	0.455	4	109.6189	0.083	10	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.5027	0.041	6	108.4299	0.009	14	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.3752	0.087	8	108.4299	0.009	14	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]ClH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]ClH)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.6750	0.023	2	109.6750	0.001	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.1730	0.000	1	109.1730	0.000	1	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.4590	0.027	2	109.8001	0.055	18	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.4297	0.036	3	109.8001	0.055	18	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.9380	0.062	13	109.8001	0.055	18	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|B<3>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.0570	0.027	2	109.3363	0.229	20	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2036	0.148	10	109.3363	0.229	20	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.9615	0.021	2	109.3363	0.229	20	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0065	0.047	4	109.3363	0.229	20	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	110.3140	0.826	2	109.3363	0.229	20	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.7620	0.000	1	109.4069	7.148	15	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.5180	0.000	1	109.4069	7.148	15	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.3755	1.869	2	109.4069	7.148	15	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.8975	0.009	2	109.4069	7.148	15	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.9430	0.018	2	109.4069	7.148	15	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.3150	0.000	1	109.4069	7.148	15	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.9180	1.056	2	109.4069	7.148	15	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.5600	5.436	4	109.4069	7.148	15	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	110.3845	0.042	2	110.3845	0.002	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.1875	0.028	2	108.1875	0.001	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3847	0.186	7	109.3938	0.026	9	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.4255	0.025	2	109.3938	0.026	9	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.5335	0.047	2	108.5335	0.002	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.1440	0.013	2	109.1440	0.000	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.8050	0.027	2	109.8050	0.001	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CC)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{2|C<3>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	110.8700	4.071	4	110.8700	16.576	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.8590	0.258	3	108.8486	0.034	5	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{1|H<1>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.8330	0.061	2	108.8486	0.034	5	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.0705	0.009	2	109.2281	0.498	10	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2675	0.794	8	109.2281	0.498	10	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{6|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	113.5565	1.842	2	113.5565	3.393	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.6615	0.028	2	108.6615	0.001	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	108.9480	0.008	2	108.9480	0.000	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.0305	0.019	2	109.0305	0.000	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]S[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]S[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3065	0.051	4	109.3065	0.003	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]CC)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6a]CC)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.3765	0.650	2	109.3765	0.422	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]HH)(H)2{3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.9420	0.040	2	109.9420	0.002	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5,6]C[6]H)	110.0660	0.000	1	110.0660	0.000	1	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6a]O[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6a]O[5]C)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[5,6]C[6]H)	109.8220	0.021	2	109.8220	0.000	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6a]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]CC)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6a]O[5]H)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>}	C[6](C[6]C[6,6a]CC)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5,6]C[6]H)	110.6890	0.014	2	110.6890	0.000	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.9020	0.045	4	108.8097	0.022	6	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.6250	0.013	2	108.8097	0.022	6	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.9545	2.446	2	109.5743	1.248	33	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.4208	0.290	6	109.5743	1.248	33	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5,6]C[6]H)	110.4165	0.103	2	109.5743	1.248	33	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5,6]C[6]H)	110.4468	1.265	6	109.5743	1.248	33	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.4120	2.833	2	109.5743	1.248	33	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1341	0.097	7	109.5743	1.248	33	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.8642	0.028	4	109.5743	1.248	33	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[5,6]C[6]H)	109.4460	0.066	4	109.5743	1.248	33	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.5617	0.010	3	109.5309	0.010	8	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	H(C[6]C[5,6]C[6]H)	109.4010	0.052	2	109.5309	0.010	8	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	H(C[6]C[5,6]C[6]H)	109.5867	0.097	3	109.5309	0.010	8	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.7732	0.050	5	108.7732	0.002	5	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.8965	0.025	2	109.8965	0.001	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.4030	1.352	12	109.3447	0.847	40	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.7002	1.317	6	109.3447	0.847	40	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.2963	0.047	3	109.3447	0.847	40	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.9868	0.041	4	109.3447	0.847	40	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.0880	0.007	2	109.3447	0.847	40	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|Cr<9>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.9737	0.237	4	109.3447	0.847	40	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.8610	0.000	1	109.3447	0.847	40	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.0733	0.119	3	109.3447	0.847	40	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1524	0.076	5	109.3447	0.847	40	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.5540	3.386	2	109.5540	11.462	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.2692	0.117	5	109.2692	0.014	5	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.1340	2.758	2	108.1340	7.605	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2O)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.2878	0.164	4	109.2878	0.027	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]B[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]B[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|P<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.0574	0.082	7	109.0574	0.007	7	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.0630	0.054	2	109.0630	0.003	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.8680	0.000	1	108.7170	0.015	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.6667	0.081	3	108.7170	0.015	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|S<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.8040	0.048	2	108.8040	0.002	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.8855	0.019	2	108.9367	0.008	3	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0390	0.000	1	108.9367	0.008	3	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HO)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[5,6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.5615	0.030	2	109.5615	0.001	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|H<1>,2|O<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.0439	0.216	9	109.0439	0.047	9	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,2|O<1>,3|C<4>}	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.4280	0.789	6	109.4280	0.623	6	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{5|C<4>}	H(C[6]C[5,6]C[6]H)	108.9592	0.322	10	109.0459	0.126	12	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.4795	0.053	2	109.0459	0.126	12	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]2H)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]2H)(H)2{1|C<3>,1|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.3498	0.088	4	109.3850	0.012	5	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]2H)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]2H)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.5260	0.000	1	109.3850	0.012	5	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.4162	0.074	4	109.5737	0.069	12	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.2530	0.000	1	109.5737	0.069	12	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.8580	0.081	5	109.5737	0.069	12	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.3380	0.014	2	109.5737	0.069	12	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|Br<1>,1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.8298	0.103	6	108.9944	0.348	66	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|Cl<1>,1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.9130	0.066	4	108.9944	0.348	66	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|I<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.8211	0.085	9	108.9944	0.348	66	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.6285	0.022	2	108.9944	0.348	66	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.5566	0.086	5	108.9944	0.348	66	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<2>,1|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.9935	0.015	2	108.9944	0.348	66	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	H(C[6]C[5,6]C[6]H)	108.6901	0.816	21	108.9944	0.348	66	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	H(C[6]C[5,6]C[6]H)	109.6337	0.187	4	108.9944	0.348	66	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.4700	0.030	2	108.9944	0.348	66	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.3403	0.148	3	108.9944	0.348	66	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.5028	0.035	6	108.9944	0.348	66	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.7895	0.019	2	108.9944	0.348	66	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.7883	0.035	4	109.0748	0.076	9	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.3427	0.033	3	109.0748	0.076	9	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.2460	0.058	2	109.0748	0.076	9	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.6540	0.021	2	108.6540	0.000	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.7684	0.091	5	109.2568	0.463	103	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.8970	0.006	2	109.2568	0.463	103	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.2703	0.038	3	109.2568	0.463	103	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.8680	0.000	1	109.2568	0.463	103	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.8828	0.037	4	109.2568	0.463	103	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.2936	0.113	17	109.2568	0.463	103	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.4535	0.049	2	109.2568	0.463	103	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.1372	0.050	4	109.2568	0.463	103	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[5,6]C[6]H)	109.4000	0.013	2	109.2568	0.463	103	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.3475	0.182	4	109.2568	0.463	103	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.7480	0.006	2	109.2568	0.463	103	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.4100	0.008	2	109.2568	0.463	103	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.3175	0.009	2	109.2568	0.463	103	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.0890	0.125	4	109.2568	0.463	103	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	110.4450	1.834	2	109.2568	0.463	103	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.4525	0.012	2	109.2568	0.463	103	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5,6]C[6]H)	110.5575	0.950	2	109.2568	0.463	103	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.0941	0.190	7	109.2568	0.463	103	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.5160	0.018	2	109.2568	0.463	103	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1005	0.022	2	109.2568	0.463	103	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.4840	2.546	2	109.2568	0.463	103	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.6820	1.417	2	109.2568	0.463	103	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.6061	0.179	15	109.2568	0.463	103	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.9850	0.000	1	109.2568	0.463	103	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.6665	0.019	2	109.2568	0.463	103	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	111.1610	2.574	2	109.2568	0.463	103	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0670	0.024	2	109.2568	0.463	103	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.2662	0.294	4	109.2568	0.463	103	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.2990	0.006	2	109.2568	0.463	103	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.5655	0.087	2	109.5050	0.008	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>,3|O<2>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.4445	0.019	2	109.5050	0.008	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]SiH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|Si<4>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]SiH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.8140	0.031	2	108.8140	0.001	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[5,6]C[6]H)	109.7360	0.000	1	109.4280	0.190	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.1200	0.000	1	109.4280	0.190	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.9285	0.150	4	109.0105	1.305	55	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.1010	0.048	2	109.0105	1.305	55	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.2070	0.031	2	109.0105	1.305	55	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<2>,4|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.4803	1.231	3	109.0105	1.305	55	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.9470	0.030	2	109.0105	1.305	55	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.0858	1.372	36	109.0105	1.305	55	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.8037	0.104	6	109.0105	1.305	55	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[5]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.9295	0.008	2	108.9295	0.000	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.8451	0.153	7	108.8598	0.026	14	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.8672	0.109	4	108.8598	0.026	14	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|Si<3>,1|N<3>,2|C<4>,7|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.8840	0.285	3	108.8598	0.026	14	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.8180	0.006	2	108.8180	0.000	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]FeC)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(H)2{1|Fe<7>,1|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]FeC)(H)2{1|Fe<10>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	113.8265	5.578	2	113.8265	31.118	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Fe<10>,1|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.6630	0.027	2	109.4166	0.025	46	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Fe<8>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.4882	0.106	12	109.4166	0.025	46	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(H)2{1|Si<4>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Fe<8>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3651	0.158	30	109.4166	0.025	46	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Fe<10>,1|H<1>,1|N<4>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.5115	0.023	2	109.4166	0.025	46	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]CC)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6](C[6]C[3,6]CC)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.8490	0.037	2	109.8490	0.001	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.4566	0.085	5	109.1056	0.045	38	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.3280	0.043	4	109.1056	0.045	38	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.1020	0.140	8	109.1056	0.045	38	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.9055	0.120	4	109.1056	0.045	38	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.0050	0.000	1	109.1056	0.045	38	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.9984	0.136	16	109.1056	0.045	38	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.0370	0.966	2	109.0370	0.933	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]C[6]O)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]C[6]O)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.4620	0.006	2	109.4620	0.000	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.4325	0.013	2	109.3515	0.009	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|I<1>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2705	0.006	2	109.3515	0.009	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[5,6]C[6]H)	109.4990	0.402	2	109.4990	0.161	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.9190	0.065	2	109.5964	0.963	18	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.8200	0.000	1	109.5964	0.963	18	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.2848	0.158	4	109.5964	0.963	18	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.6900	0.045	4	109.5964	0.963	18	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.1530	0.044	2	109.5964	0.963	18	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.2720	0.000	1	109.5964	0.963	18	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	111.6155	2.237	2	109.5964	0.963	18	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.1845	0.030	2	109.5964	0.963	18	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.2930	0.023	2	109.9150	1.546	6	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2880	0.006	2	109.9150	1.546	6	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,1|O<2>,1|W<7>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	111.1640	1.747	2	109.9150	1.546	6	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.7845	0.008	2	108.9413	0.074	3	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2550	0.000	1	108.9413	0.074	3	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.5540	0.095	2	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.9010	0.113	3	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.8097	0.067	3	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.2445	0.015	2	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	111.2495	1.621	8	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<2>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.5763	0.147	3	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.9070	0.023	2	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.4013	1.046	31	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1082	0.089	6	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.8355	3.928	4	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.4640	0.440	4	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.4500	1.228	2	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.1807	0.478	3	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.1860	0.016	2	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.9850	0.042	2	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.1275	1.098	2	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.8300	0.594	4	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.2662	2.590	4	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.7505	0.032	2	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	110.3495	0.023	2	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.8950	0.045	2	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.9605	0.023	2	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.7885	0.045	2	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.1020	0.048	2	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.4825	0.104	2	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.6568	0.015	4	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|F<1>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.6940	0.000	1	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5,6]C[6]H)	110.6058	0.480	4	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.0120	0.023	2	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.3167	1.069	6	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|S<4>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.0990	0.013	2	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.5330	0.065	2	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.8502	0.189	49	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.1550	0.066	2	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.1080	0.037	2	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.8060	0.899	2	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.2362	1.152	4	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	111.2010	1.245	2	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.2067	0.038	4	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	112.6940	1.185	2	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,1|P<4>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.8170	0.000	1	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.4920	0.016	2	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|I<1>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.8473	0.017	3	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.5501	0.769	8	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.1250	0.024	2	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.0755	0.005	2	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.8270	0.523	2	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.8145	2.526	2	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.3925	0.012	2	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.5197	0.038	3	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.9020	0.025	3	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.0820	1.220	2	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.1030	0.011	2	109.3533	1.185	223	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.5306	0.945	7	109.6706	0.705	13	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.3110	0.157	4	109.6706	0.705	13	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.8800	0.018	2	109.6706	0.705	13	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.9610	0.028	2	108.9946	0.261	20	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|N<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.1284	0.324	14	108.9946	0.261	20	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.0855	0.011	2	108.9946	0.261	20	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.0010	1.162	2	108.9946	0.261	20	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	110.3170	0.008	2	109.5701	0.123	21	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[5,6]C[6]H)	109.4688	0.235	11	109.5701	0.123	21	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.8170	0.629	2	109.5701	0.123	21	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.3713	0.029	4	109.5701	0.123	21	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.5315	0.035	2	109.5701	0.123	21	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]Si[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,1|O<2>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]Si[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	110.6175	3.283	2	110.6175	10.779	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.4325	0.069	2	109.3877	0.022	10	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.5067	0.108	4	109.3877	0.022	10	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1815	0.016	2	109.3877	0.022	10	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3110	0.010	2	109.3877	0.022	10	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Ir)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]B[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Ir)(C[6]C[6]HH)(H)2{1|B<4>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]B[6]HH)(H)2{1|Ir<10>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.1777	0.287	3	109.1777	0.083	3	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Mn)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Mn)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|Mn<8>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.5500	0.016	2	109.5500	0.000	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]N)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]N)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.1470	1.004	2	110.1470	1.008	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.9965	0.049	2	108.9796	0.004	9	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.9747	0.069	7	108.9796	0.004	9	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.4210	0.021	2	109.5184	3.127	14	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	107.9995	0.149	2	109.5184	3.127	14	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	111.0205	2.739	2	109.5184	3.127	14	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.0203	1.912	4	109.5184	3.127	14	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0755	0.033	2	109.5184	3.127	14	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0715	3.350	2	109.5184	3.127	14	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.9990	0.014	2	108.9990	0.000	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.8705	0.391	2	109.8705	0.153	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|Br<1>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.6860	0.021	2	108.6860	0.000	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	111.1012	0.438	4	110.4547	1.118	6	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1615	0.012	2	110.4547	1.118	6	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Re)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Re)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Re<8>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.5385	0.079	4	109.5385	0.006	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Rh<8>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.4790	0.345	13	109.5203	0.130	28	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Rh<8>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.5570	0.160	6	109.5203	0.130	28	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Rh<8>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.5556	0.489	9	109.5203	0.130	28	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0335	0.139	6	109.0335	0.019	6	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|S<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.0635	0.046	2	109.0635	0.002	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]HH)(H)2{1|P<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Ti<8>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3605	0.035	2	109.4730	0.027	9	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Ti<12>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.6797	0.044	3	109.4730	0.027	9	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Ti<12>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3743	0.079	4	109.4730	0.027	9	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]B[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]HH)(H)2{1|B<4>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]B[6]HH)(H)2{1|Zr<15>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.2555	0.006	4	109.2555	0.000	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]HH)(H)2{1|Si<4>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Zr<12>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.6963	2.096	8	109.4745	0.857	43	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]HH)(H)2{1|Si<5>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Zr<13>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.7840	0.270	4	109.4745	0.857	43	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Zr<13>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.7245	0.150	6	109.4745	0.857	43	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Zr<14>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.6401	0.333	8	109.4745	0.857	43	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Zr<13>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2618	0.207	12	109.4745	0.857	43	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Zr<14>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.6176	0.163	5	109.4745	0.857	43	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0067	0.076	4	109.5696	4.113	16	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	111.2752	3.911	4	109.5696	4.113	16	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(H)2{4|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.9981	0.199	8	109.5696	4.113	16	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.6840	0.000	1	108.5633	0.011	3	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{1|N<4>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.5030	0.007	2	108.5633	0.011	3	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{3|C<3>}	H(C[6]C[5,6]C[6]H)	110.2890	0.040	2	110.2890	0.002	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[3x5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[3x5]H)(C[6]C[6]HH)(H)2{1|Ga<6>,1|N<4>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.3870	0.055	2	109.3870	0.003	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.2960	0.007	2	109.4130	0.339	10	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.4370	0.044	2	109.4130	0.339	10	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.4440	0.776	6	109.4130	0.339	10	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]BrH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]BrH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.5070	0.017	2	110.5070	0.000	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.5235	0.085	4	109.5244	0.086	53	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.9065	0.021	2	109.5244	0.086	53	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.2423	0.209	16	109.5244	0.086	53	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|Ga<5>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.6733	0.117	3	109.5244	0.086	53	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|In<5>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.5363	0.086	7	109.5244	0.086	53	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|In<5>,1|N<4>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.3812	0.034	4	109.5244	0.086	53	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|In<6>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.7230	0.173	8	109.5244	0.086	53	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|P<4>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.3337	0.061	3	109.5244	0.086	53	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.9873	0.131	6	109.5244	0.086	53	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.6165	0.015	2	108.3637	0.512	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.1110	1.131	2	108.3637	0.512	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.4700	0.044	4	109.4700	0.002	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.9450	0.007	2	109.9991	0.662	394	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|Br<1>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.7370	0.000	1	109.9991	0.662	394	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.9728	0.475	4	109.9991	0.662	394	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|P<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.2643	0.079	4	109.9991	0.662	394	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.2422	0.599	4	109.9991	0.662	394	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.4604	0.243	60	109.9991	0.662	394	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.5380	1.243	2	109.9991	0.662	394	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,1|S<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.9410	1.526	4	109.9991	0.662	394	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.6930	0.055	2	109.9991	0.662	394	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.0412	0.842	54	109.9991	0.662	394	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	111.1322	1.983	6	109.9991	0.662	394	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2788	0.135	4	109.9991	0.662	394	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.3360	0.027	2	109.9991	0.662	394	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.5678	0.220	4	109.9991	0.662	394	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.0765	0.021	2	109.9991	0.662	394	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.4935	0.534	2	109.9991	0.662	394	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.3715	0.015	2	109.9991	0.662	394	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.9850	0.000	1	109.9991	0.662	394	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.4691	0.155	12	109.9991	0.662	394	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|P<3>,1|S<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.4615	0.205	8	109.9991	0.662	394	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.4761	0.139	8	109.9991	0.662	394	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.1590	0.031	2	109.9991	0.662	394	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.9868	0.175	8	109.9991	0.662	394	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|P<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2618	0.127	6	109.9991	0.662	394	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.1510	0.000	1	109.9991	0.662	394	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|In<5>,1|N<4>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.4720	0.060	3	109.9991	0.662	394	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|Ir<8>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.4340	0.174	8	109.9991	0.662	394	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|P<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.1587	0.051	3	109.9991	0.662	394	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|P<4>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.1333	0.950	98	109.9991	0.662	394	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.1265	0.248	4	109.9991	0.662	394	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.5070	0.059	2	109.9991	0.662	394	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.6992	0.326	38	109.9991	0.662	394	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.0780	0.000	1	109.9991	0.662	394	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[5,6]C[6]H)	109.3095	0.039	2	109.9991	0.662	394	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|Rh<8>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.7812	0.332	8	109.9991	0.662	394	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1887	0.252	3	109.9991	0.662	394	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.3157	0.069	3	109.9991	0.662	394	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.2105	0.288	2	109.9991	0.662	394	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.4560	0.011	2	109.9991	0.662	394	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1950	0.068	2	109.9991	0.662	394	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.0052	0.198	4	109.9991	0.662	394	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[5,6]C[6]H)	109.3600	0.018	2	109.9991	0.662	394	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.9513	0.214	4	109.9991	0.662	394	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[5,6]HS)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,1|S<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[5,6]HS)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[5,6]C[6]H)	109.0340	0.000	1	109.0340	0.000	1	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[5,6]C[6]H)	110.6325	0.009	2	110.6325	0.000	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3585	0.149	4	109.3585	0.022	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]N)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]N)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[5,6]C[6]H)	108.9750	0.000	1	108.9750	0.000	1	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]O[5])(C[6]C[6]HH)(H)2{1|N<2>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2230	0.080	6	109.2230	0.006	6	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1020	1.581	2	109.5065	1.059	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.9110	0.148	2	109.5065	1.059	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{2|C<4>,4|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.0420	0.040	2	109.5540	1.535	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{2|C<4>,4|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	110.0660	1.885	2	109.5540	1.535	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.4780	0.033	2	109.4230	0.004	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.3680	0.018	2	109.4230	0.004	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,1|S<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.6563	0.053	3	109.5090	0.146	7	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]H)	108.9630	0.006	2	109.5090	0.146	7	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.8340	0.013	2	109.5090	0.146	7	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|B<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.9425	0.012	2	109.9425	0.000	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.4775	0.023	2	109.4775	0.001	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]PtH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|Pt<4>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]PtH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0310	0.041	2	109.0310	0.002	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]O[6]CH)(H)2{1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	110.1875	3.057	2	110.1875	9.344	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.7480	0.030	2	109.5949	1.373	63	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.2925	0.276	4	109.5949	1.373	63	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.5969	1.298	51	109.5949	1.373	63	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.7290	0.146	6	109.5949	1.373	63	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.6931	0.145	7	109.7200	0.024	8	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.9080	0.000	1	109.7200	0.024	8	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.6390	0.000	1	110.3763	2.738	3	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	111.2450	0.974	2	110.3763	2.738	3	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{2|O<2>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.6850	0.000	1	108.6850	0.000	1	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.8330	0.007	2	109.1892	0.370	13	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	108.8158	0.139	4	109.1892	0.370	13	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.8090	0.000	1	109.1892	0.370	13	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.1240	0.031	2	109.1892	0.370	13	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	108.9670	0.000	1	109.1892	0.370	13	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.4430	0.000	1	109.1892	0.370	13	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.0315	0.015	2	109.1892	0.370	13	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	109.6132	0.149	4	109.6132	0.022	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,1|S<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	109.1645	0.059	4	109.1957	0.005	6	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	109.2580	0.027	2	109.1957	0.005	6	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	109.4268	0.175	11	109.4268	0.031	11	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]N)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]N)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.6620	0.000	1	109.6620	0.000	1	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.5400	0.000	1	109.5400	0.000	1	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<2>,2|O<2>}	H(C[6]C[5,6]C[6]H)	108.7370	0.017	2	108.8435	0.016	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	108.9500	0.045	2	108.8435	0.016	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HO)(H)2{1|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.5430	0.025	2	109.5430	0.001	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]P[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]P[5]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.6341	0.094	8	109.6267	0.007	10	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]P[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]P[5]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|P<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.5970	0.033	2	109.6267	0.007	10	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]P[5]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]P[5]O)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,1|P<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0945	0.012	2	109.0945	0.000	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]P[5]Ti)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]P[5]Ti)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Ti<8>,1|C<4>,1|P<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3315	0.005	2	109.3315	0.000	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.1375	2.186	4	109.1375	4.777	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,3|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|C<4>,2|H<1>,2|S<2>}	H(C[6]C[5,6]C[6]H)	109.1533	0.049	6	109.1533	0.002	6	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.7307	0.037	3	108.7307	0.001	3	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	108.7750	0.113	7	108.7750	0.013	7	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2395	0.035	2	109.2395	0.001	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1778	0.129	4	109.1800	0.233	25	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.0923	0.587	10	109.1800	0.233	25	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|S<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.2193	0.385	4	109.1800	0.233	25	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.7265	0.044	4	109.1800	0.233	25	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.6943	0.035	3	109.1800	0.233	25	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3530	0.019	6	109.3530	0.000	6	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.1310	0.000	1	109.1310	0.000	1	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.1040	0.008	2	109.1183	0.270	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.1325	0.899	2	109.1183	0.270	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.6593	0.719	4	110.6593	0.517	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.9920	0.014	2	108.9920	0.000	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.2280	0.067	4	109.2280	0.005	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.9708	0.133	10	109.5294	1.667	20	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	107.7990	0.066	2	109.5294	1.667	20	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[5,6]C[6]H)	109.2740	0.000	1	109.5294	1.667	20	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.8583	1.289	7	109.5294	1.667	20	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[5,6]C[6]H)	109.5855	0.006	2	109.5855	0.000	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.3495	0.029	2	109.3495	0.001	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.7460	0.000	1	108.7460	0.000	1	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	109.0610	0.011	2	109.0610	0.000	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	112.3330	1.492	2	112.3330	2.226	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>,5|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.8915	0.029	2	108.8915	0.001	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0943	0.130	4	109.0353	0.053	12	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1145	0.028	4	109.0353	0.053	12	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[6]C[5,6]C[6]H)	108.8972	0.370	4	109.0353	0.053	12	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]HH)(H)2{1|N<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2{4|C<3>}	H(C[6]C[5,6]C[6]H)	109.1890	0.050	4	109.1921	0.016	11	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2{4|C<3>}	H(C[6]C[5,6]C[6]H)	109.0760	0.058	4	109.1921	0.016	11	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]HH)(H)2{1|N<3>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.3510	0.087	3	109.1921	0.016	11	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.6147	0.039	3	108.6147	0.001	3	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|As<2>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2038	0.146	5	109.1864	0.423	235	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|B<3>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0507	0.126	4	109.1864	0.423	235	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|B<6>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3440	0.071	3	109.1864	0.423	235	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Be<2>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.7760	0.054	2	109.1864	0.423	235	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Be<3>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2883	0.071	4	109.1864	0.423	235	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	112.1920	1.490	4	109.1864	0.423	235	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.0980	0.039	4	109.1864	0.423	235	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,7|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.8120	0.223	4	109.1864	0.423	235	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,8|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.1166	1.042	17	109.1864	0.423	235	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2442	0.191	20	109.1864	0.423	235	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,7|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.9210	0.106	7	109.1864	0.423	235	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	110.6590	0.099	2	109.1864	0.423	235	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.5805	0.172	4	109.1864	0.423	235	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.9550	0.045	2	109.1864	0.423	235	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5,6]C[6]H)	109.2235	0.137	6	109.1864	0.423	235	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.0089	0.099	12	109.1864	0.423	235	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.7730	0.030	2	109.1864	0.423	235	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Ga<4>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3760	0.069	3	109.1864	0.423	235	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Ge<2>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0313	0.153	11	109.1864	0.423	235	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	111.3725	2.090	2	109.1864	0.423	235	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2257	0.071	3	109.1864	0.423	235	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|P<2>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1481	0.139	12	109.1864	0.423	235	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|P<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.1995	1.264	4	109.1864	0.423	235	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|S<1>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2395	0.072	4	109.1864	0.423	235	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|O<1>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.6095	0.030	2	109.1864	0.423	235	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.9867	0.021	3	109.1864	0.423	235	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,7|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.4317	0.109	8	109.1864	0.423	235	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,8|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.9411	0.119	8	109.1864	0.423	235	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Ni<3>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0625	0.045	4	109.1864	0.423	235	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Ni<4>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2453	0.095	3	109.1864	0.423	235	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.0080	0.000	1	109.1864	0.423	235	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.9443	0.118	12	109.1864	0.423	235	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,8|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.0562	0.073	10	109.1864	0.423	235	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Si<2>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0185	0.129	8	109.1864	0.423	235	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Si<3>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.9830	0.160	4	109.1864	0.423	235	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Si<4>,1|N<2>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1078	0.104	5	109.1864	0.423	235	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Si<4>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1347	0.335	8	109.1864	0.423	235	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Si<4>,1|N<3>,2|C<4>,7|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.0293	0.054	3	109.1864	0.423	235	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5,6]C[6]H)	109.2043	0.082	4	109.1864	0.423	235	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1073	0.049	3	109.1864	0.423	235	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.9030	0.019	4	109.1864	0.423	235	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.8907	0.049	4	109.1864	0.423	235	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0313	0.198	3	109.0313	0.039	3	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.3605	0.028	2	109.3605	0.001	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.5495	0.009	4	109.5495	0.000	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	108.9195	0.045	2	108.9195	0.002	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[5,6]HH)(H)2{2|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.7740	0.061	2	109.7740	0.004	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2N[6])(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.2140	0.000	1	109.2140	0.000	1	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.9595	3.133	2	108.8392	3.162	6	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.9470	0.035	2	108.8392	3.162	6	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(H)2{4|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	107.6110	0.663	2	108.8392	3.162	6	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.5405	0.080	8	109.5715	0.469	19	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.9125	0.026	2	109.5715	0.469	19	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|S<4>,2|C<3>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.1895	0.035	2	109.5715	0.469	19	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.6095	0.727	4	109.5715	0.469	19	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.3550	0.000	1	109.5715	0.469	19	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.7690	0.011	2	109.5715	0.469	19	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<2>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2095	0.113	6	109.3215	0.904	95	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<2>,4|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.9715	0.009	2	109.3215	0.904	95	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|N<3>}	H(C[6]C[5,6]C[6]H)	109.3805	0.109	4	109.3215	0.904	95	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.7722	1.459	31	109.3215	0.904	95	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|S<1>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1970	0.074	3	109.3215	0.904	95	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.7110	0.081	4	109.3215	0.904	95	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|F<1>,1|N<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.7470	0.000	1	109.3215	0.904	95	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0248	0.186	4	109.3215	0.904	95	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.7003	0.594	3	109.3215	0.904	95	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.7140	0.212	3	109.3215	0.904	95	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,7|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1033	0.061	3	109.3215	0.904	95	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.6810	0.094	4	109.3215	0.904	95	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0370	0.008	2	109.3215	0.904	95	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1400	0.832	2	109.3215	0.904	95	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.6013	0.891	6	109.3215	0.904	95	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1267	0.066	3	109.3215	0.904	95	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.8253	0.345	4	109.3215	0.904	95	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3920	0.055	4	109.3215	0.904	95	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|O<1>,4|H<1>,5|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.8570	0.010	2	109.3215	0.904	95	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|O<2>,1|S<4>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.4770	0.038	2	109.3215	0.904	95	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2250	0.018	2	109.3215	0.904	95	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|N<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2108	0.081	4	109.6315	0.647	8	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	110.0523	1.015	4	109.6315	0.647	8	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.6955	1.585	12	109.7296	1.171	44	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.4035	0.122	4	109.7296	1.171	44	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.6984	0.658	12	109.7296	1.171	44	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0609	0.040	12	109.7296	1.171	44	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2575	0.066	4	109.7296	1.171	44	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]S[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|S<4>,2|C<4>,8|H<1>}	C[6](C[6]C[5,6]HH)(C[6]S[6]HH)(H)2{1|N<4>,2|C<4>,2|O<1>}	H(C[6]C[5,6]C[6]H)	108.2400	0.034	2	108.2400	0.001	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.0918	0.092	4	109.9969	1.668	12	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	110.4495	1.384	8	109.9969	1.668	12	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.8625	0.009	2	108.8625	0.000	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.9160	0.011	3	108.9160	0.000	3	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.5455	0.011	2	109.2524	0.276	80	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]H)	108.7430	0.000	1	109.2524	0.276	80	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.9805	0.991	2	109.2524	0.276	80	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1182	0.064	4	109.2524	0.276	80	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2165	0.106	4	109.2524	0.276	80	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1507	0.257	30	109.2524	0.276	80	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1593	0.110	4	109.2524	0.276	80	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1723	0.019	4	109.2524	0.276	80	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0634	0.073	8	109.2524	0.276	80	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.4870	1.049	8	109.2524	0.276	80	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.8995	0.026	2	109.2524	0.276	80	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]H)	108.9390	0.007	2	109.2524	0.276	80	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|Se<2>,1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3200	0.066	3	109.2524	0.276	80	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{3|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1420	0.148	2	109.2524	0.276	80	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{4|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	110.2228	1.180	4	109.2524	0.276	80	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.2713	0.098	4	109.4478	0.041	9	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>}	H(C[6]C[5,6]C[6]H)	109.4415	0.049	2	109.4478	0.041	9	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.6873	0.020	3	109.4478	0.041	9	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.3007	0.197	4	109.3007	0.039	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,1|P<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1655	0.069	4	109.1655	0.005	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.9300	0.057	2	109.4973	0.657	14	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.3287	0.049	6	109.4973	0.657	14	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.0832	1.451	4	109.4973	0.657	14	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[6]C[5,6]C[6]H)	109.3985	0.026	2	109.4973	0.657	14	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]N[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]N[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.4290	0.014	2	109.4290	0.000	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]N[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]N[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1975	0.045	2	109.1975	0.002	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{2|C<4>,3|O<2>}	H(C[6]C[5,6]C[6]H)	109.0430	0.016	2	109.0430	0.000	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.1603	0.151	46	109.1603	0.023	46	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.5545	0.018	2	109.5279	0.981	10	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.8097	1.586	4	109.5279	0.981	10	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.2327	0.454	4	109.5279	0.981	10	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	111.1830	1.785	4	111.1830	3.188	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.5588	0.061	4	109.4714	0.423	15	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.2698	0.225	8	109.4714	0.423	15	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.8927	1.528	3	109.4714	0.423	15	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	110.1630	0.211	2	110.1630	0.044	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6,6]O[5]S[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6,6]O[5]S[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<2>}	H(C[6]C[5,6]C[6]H)	109.0345	0.006	2	109.0807	0.006	6	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6,6]O[5]S[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6,6]O[5]S[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<2>}	H(C[6]C[5,6]C[6]H)	109.1840	0.007	2	109.0807	0.006	6	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6,6]O[5]S[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6,6]O[5]S[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,1|S<2>,2|C<3>}	H(C[6]C[5,6]C[6]H)	109.0235	0.009	2	109.0807	0.006	6	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6,6a]N[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6,6a]N[5]2)(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2{1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[5,6]C[6]H)	109.4470	0.021	2	109.4470	0.000	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3275	0.050	4	109.3084	0.027	21	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[5,6]C[6]H)	109.0733	0.045	3	109.3084	0.027	21	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.4260	0.072	3	109.3084	0.027	21	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.4980	0.071	3	109.3084	0.027	21	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[5,6]C[6]H)	109.2717	0.162	8	109.3084	0.027	21	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	109.5640	0.051	2	109.3685	0.013	12	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]HH)(H)2{1|O<1>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	109.3975	0.006	2	109.3685	0.013	12	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3124	0.070	8	109.3685	0.013	12	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2322	0.073	12	109.1748	0.012	20	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0888	0.106	8	109.1748	0.012	20	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3768	0.129	12	109.3704	0.040	28	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|S<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.2580	0.072	4	109.3704	0.040	28	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.4230	0.342	8	109.3704	0.040	28	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3582	0.018	4	109.3704	0.040	28	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1792	0.063	4	109.1792	0.004	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.3683	0.104	11	109.3211	0.579	219	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.4997	0.074	6	109.3211	0.579	219	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.1735	0.056	2	109.3211	0.579	219	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.5318	0.162	4	109.3211	0.579	219	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.3097	0.810	192	109.3211	0.579	219	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.2100	0.074	2	109.3211	0.579	219	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.4530	0.020	2	109.3211	0.579	219	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.5065	0.011	2	109.4202	0.010	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|O<2>}	H(C[6]C[5,6]C[6]H)	109.3340	0.013	2	109.4202	0.010	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>,3|O<2>}	H(C[6]C[5,6]C[6]H)	109.4605	0.008	2	109.4605	0.000	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6a]C[6]O)(C[6]C[5,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	110.0525	1.801	4	110.0525	3.242	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<2>}	H(C[6]C[5,6]C[6]H)	109.3885	0.025	2	109.3430	0.059	10	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<2>}	H(C[6]C[5,6]C[6]H)	109.5245	0.067	4	109.3430	0.059	10	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,1|S<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.9125	0.071	2	109.3430	0.059	10	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.3650	0.004	2	109.3430	0.059	10	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,5,6]C[5,5]C[6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5,5]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.3290	0.028	2	109.3290	0.001	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.7145	0.032	2	109.8070	0.007	6	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5,6]C[6]H)	109.8533	0.045	4	109.8070	0.007	6	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]HH)2(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5,6]C[6]H)	109.5768	0.055	4	109.5768	0.003	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3416	0.068	7	109.3416	0.005	7	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,5]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	111.1727	1.670	8	111.1727	2.787	8	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,5]C[6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3252	0.052	4	109.3252	0.003	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,5a]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,5a]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.0685	0.019	2	109.0685	0.000	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.1763	0.078	3	109.1763	0.006	3	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.6265	0.040	2	109.6265	0.002	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]2)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.1457	0.048	4	109.1457	0.002	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.8118	0.023	4	108.8118	0.001	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.4300	0.000	1	109.3023	0.715	3	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.2385	1.186	2	109.3023	0.715	3	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]SiH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]SiH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.9270	0.025	4	108.9270	0.001	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.4130	0.143	3	109.4130	0.021	3	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]CO)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,5,6]CO)(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.5170	0.004	2	109.5170	0.000	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3655	0.059	2	109.3655	0.003	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.9475	0.015	2	108.9475	0.000	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.8413	0.180	3	109.7501	0.301	79	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.3928	0.129	5	109.7501	0.301	79	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.9785	0.117	6	109.7501	0.301	79	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[5,6]C[6]H)	109.7933	0.175	6	109.7501	0.301	79	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[5,6]C[6]H)	110.1570	0.018	2	109.7501	0.301	79	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.6893	0.158	18	109.7501	0.301	79	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.8508	0.040	4	109.7501	0.301	79	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.1760	2.509	2	109.7501	0.301	79	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.6785	0.013	2	109.7501	0.301	79	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.7290	0.024	2	109.7501	0.301	79	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.6420	0.030	2	109.7501	0.301	79	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.9100	0.048	3	109.7501	0.301	79	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.0669	0.088	8	109.7501	0.301	79	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	111.1945	2.406	2	109.7501	0.301	79	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.7837	0.132	6	109.7501	0.301	79	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.6420	0.474	2	109.7501	0.301	79	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{3|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[5,6]C[6]H)	109.2810	0.122	2	109.7501	0.301	79	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.7015	0.026	2	109.7501	0.301	79	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.4780	0.016	2	109.7501	0.301	79	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[5,6]C[6]H)	109.8440	0.000	1	110.1017	0.050	3	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[5,6]C[6]H)	110.2305	0.030	2	110.1017	0.050	3	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[5,6]C[6]H)	109.4645	0.514	12	109.5755	0.392	21	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.3860	0.023	2	109.5755	0.392	21	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)2(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	111.0420	0.281	2	109.5755	0.392	21	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.3930	0.127	2	109.5755	0.392	21	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2460	0.000	1	109.5755	0.392	21	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3120	0.007	2	109.5755	0.392	21	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]SiH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]SiH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3850	0.015	6	109.3850	0.000	6	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]2C[6])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]2C[6])(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.8225	0.013	2	109.5615	0.091	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]2C[6])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]2C[6])(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.3005	0.016	2	109.5615	0.091	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]Si)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]Si)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[5,6]C[6]H)	108.5275	0.144	12	108.5275	0.021	12	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{1|O<2>,4|C<3>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3240	0.000	1	109.3240	0.000	1	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3150	0.000	1	109.3150	0.000	1	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]N[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]N[5]C)(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|N<3>}	H(C[6]C[5,6]C[6]H)	109.4090	0.000	1	109.4090	0.000	1	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	109.6160	0.018	2	109.6160	0.000	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	110.3443	0.100	4	110.3443	0.010	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	110.1497	0.325	3	110.1497	0.106	3	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,1|S<1>}	H(C[6]C[5,6]C[6]H)	109.8700	0.016	2	109.8700	0.000	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[6,6]C[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[6,6]C[5]2)(C[6]C[6]HH)(H)2{5|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<4>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.7530	0.006	2	108.7530	0.000	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.7455	0.009	2	109.0228	0.050	6	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|Si<4>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.1615	0.080	4	109.0228	0.050	6	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,3|O<2>}	H(C[6]C[5,6]C[6]H)	109.4427	0.252	3	109.4427	0.063	3	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,3|O<2>}	H(C[6]C[5,6]C[6]H)	109.4540	0.044	6	109.4540	0.002	6	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|H<1>,1|N<3>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.4825	0.060	4	109.4195	0.012	6	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.2935	0.047	2	109.4195	0.012	6	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.3247	0.133	6	109.3247	0.018	6	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.3320	0.014	2	109.3320	0.000	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[6a]P[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[6a]P[5])(C[6]C[6]HH)(H)2{1|Se<1>,1|Se<2>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)2(H)2{1|Se<2>,1|O<2>,1|P<4>,2|C<3>}	H(C[6]C[5,6]C[6]H)	108.9330	0.017	2	108.9330	0.000	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[6a]Se[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[6a]Se[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|Se<2>,1|O<2>,1|P<4>,2|C<3>}	H(C[6]C[5,6]C[6]H)	109.1930	0.013	2	109.1930	0.000	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]N[5]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]N[5]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|H<1>,1|N<3>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.6402	0.029	4	109.6402	0.001	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[5,6]HH)(H)2{2|C<4>,3|O<2>}	H(C[6]C[5,6]C[6]H)	109.4926	0.086	5	109.4926	0.007	5	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{2|C<4>,3|O<2>}	H(C[6]C[5,6]C[6]H)	109.5020	0.000	1	109.5020	0.000	1	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.3700	1.100	2	109.3700	1.211	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|C<4>,1|H<1>,3|O<2>}	H(C[6]C[5,6]C[6]H)	109.9520	0.259	2	109.9520	0.067	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)2(H)2{1|C<4>,1|H<1>,3|O<2>}	H(C[6]C[5,6]C[6]H)	108.7915	0.377	2	108.7915	0.142	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5]2O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5]2O[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|O<2>}	H(C[6]C[5,6]C[6]H)	109.5805	0.008	2	109.5805	0.000	2	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]P[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]P[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|S<1>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.8555	4.070	4	108.8555	16.562	4	109.4182	0.818	3404	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)(O){1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1145	0.408	4	109.1145	0.167	4	109.1145	0.167	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2{1|N<4>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1215	0.039	2	109.1215	0.002	2	109.3323	0.029	6	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.4377	0.064	4	109.4377	0.004	4	109.3323	0.029	6	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]S[6]HH)(H)2	C[6](C[6]C[5,6]HH)(S[6]C[6]OO)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]S[6]HH)(H)2{1|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(S[6]C[6]OO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.9775	0.067	4	108.9775	0.005	4	108.9775	0.005	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]O)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]O)(C[6]N[6,6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.0965	0.079	4	109.0965	0.006	4	109.0965	0.006	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)(I)	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]I)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)(I){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]I)	107.8740	0.000	1	108.1473	0.060	3	108.0248	0.220	13	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)(I)	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]I)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)(I){3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]I)	108.2840	0.089	2	108.1473	0.060	3	108.0248	0.220	13	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6,6a]O[5]2)(C[6]C[6]HH)(H)(I)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HI)(H)2	H(C[6]C[5,6]C[6]I)	C[6](C[5,6]C[6,6a]O[5]2)(C[6]C[6]HH)(H)(I){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HI)(H)2{2|C<3>,2|O<2>}	H(C[6]C[5,6]C[6]I)	108.0530	0.000	1	108.0530	0.000	1	108.0248	0.220	13	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)(I)	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]I)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)(I){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]I)	108.1345	0.510	2	108.1345	0.260	2	108.0248	0.220	13	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)(I)	C[6](C[6]C[5,6]HI)(C[6]C[6]HN)(H)2	H(C[6]C[5,6]C[6]I)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)(I){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HI)(C[6]C[6]HN)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[5,6]C[6]I)	108.3125	0.680	2	108.3125	0.462	2	108.0248	0.220	13	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)(I)	C[6](C[6]C[6]N[5]H)(C[6]C[5,6]HI)(H)2	H(C[6]C[5,6]C[6]I)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)(I){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[5,6]HI)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[5,6]C[6]I)	107.7868	0.565	5	107.7868	0.319	5	108.0248	0.220	13	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:O-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(H)(O)	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(H)(O){3|H<1>,5|C<4>}	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[5,6]HO)(H)2{2|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]O)	107.2040	0.000	1	107.2040	0.000	1	107.2040	0.000	1	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)(O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)(O){3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]O)	109.3010	0.000	1	109.3010	0.000	1	109.3010	0.000	1	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5x6]C[3x6]C[4x6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5x6]C[6]H)	C[6](C[5x6]C[3x6]C[4x6]2)(C[6]C[6]HH)(H)2{2|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[5x6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[5x6]C[6]H)	109.1690	0.007	2	109.1690	0.000	2	109.1690	0.000	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]Br)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(Br)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]Br)	107.3590	0.000	1	107.3590	0.000	1	107.5767	0.287	14	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]Br)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(Br)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]Br)	107.4500	0.000	1	107.4500	0.000	1	107.5767	0.287	14	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]BrH)(H)2	H(C[6]C[6,6]C[6]Br)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(Br)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]BrH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]Br)	107.7450	0.000	1	107.7450	0.000	1	107.5767	0.287	14	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6,6]BrH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]Br)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(Br)(H){2|C<4>,4|H<1>}	C[6](C[6]C[6,6]BrH)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]Br)	107.2900	0.245	2	107.2900	0.060	2	107.5767	0.287	14	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6,6]BrH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]Br)	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(Br)(H){1|Br<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]BrH)(C[6]C[6,6]HH)(H)2{1|Se<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]Br)	107.8822	0.907	4	107.6600	0.419	9	107.5767	0.287	14	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6,6]BrH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]Br)	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(Br)(H){2|C<4>,4|H<1>}	C[6](C[6]C[6,6]BrH)(C[6]C[6,6]HH)(H)2{1|Se<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]Br)	107.4822	0.363	5	107.6600	0.419	9	107.5767	0.287	14	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6,6]HH)(Cl)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]ClH)(H)2	H(C[6]C[6,6]C[6]Cl)	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6,6]HH)(Cl)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]ClH)(H)2{1|Cl<1>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]Cl)	107.1170	0.000	1	107.1170	0.000	1	106.9595	0.134	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(Cl)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]ClH)(H)2	H(C[6]C[6,6]C[6]Cl)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(Cl)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]ClH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]Cl)	106.9070	0.430	3	106.9070	0.185	3	106.9595	0.134	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]Cl)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(Cl)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]Cl)	107.3750	0.000	1	107.3750	0.000	1	107.5278	0.040	6	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6,6]ClH)(H)2	H(C[6]C[6,6]C[6]Cl)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(Cl)(H){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6,6]ClH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]Cl)	107.5943	0.281	3	107.5943	0.079	3	107.5278	0.040	6	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6,6]ClH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]Cl)	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(Cl)(H){2|C<4>,4|H<1>}	C[6](C[6]C[6,6]ClH)(C[6]C[6,6]HH)(H)2{1|Se<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]Cl)	107.5045	0.040	2	107.5045	0.002	2	107.5278	0.040	6	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:F-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(F)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]FH)(H)2	H(C[6]C[6,6]C[6]F)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(F)(H){2|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]FH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]F)	108.2800	0.000	1	108.2800	0.000	1	108.2800	0.000	1	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]FH)(F)(H)	C[6](C[6]C[6,6]FH)(C[6]O[6]HO)(F)(H)	H(C[6]C[6,6]C[6]F)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]FH)(F)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]FH)(C[6]O[6]HO)(F)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]F)	109.1760	0.403	2	109.1760	0.162	2	109.1760	0.162	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,5,6,6]HH)(H)2	C[6](C[3,5,6,6]C[3,3x6]C[3,5,6]C[5,6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,5,6,6]HH)(H)2{1|C<3>,7|C<4>}	C[6](C[3,5,6,6]C[3,3x6]C[3,5,6]C[5,6])(C[6]C[6,6]HH)(H)2{4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.4375	0.153	6	109.4375	0.023	6	109.4375	0.023	6	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[3,5,6]HH)(H)2	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[3,5,6]HH)(H)2{1|C<3>,6|C<4>}	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1735	0.016	2	109.1735	0.000	2	109.3965	0.066	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,5,6]HH)(H)2	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,5,6]HH)(H)2{1|C<3>,7|C<4>}	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.6195	0.016	2	109.6195	0.000	2	109.3965	0.066	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,6,6]HH)(H)2	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.6410	1.049	2	109.6410	1.101	2	109.2806	1.464	21	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,6,6]HH)(H)2	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2610	0.000	1	109.2610	0.000	1	109.2806	1.464	21	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[3,6,6]HH)(H)2	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.5270	0.000	1	109.3423	0.499	3	109.2806	1.464	21	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[3,6,6]HH)(H)2	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.7500	0.030	2	109.3423	0.499	3	109.2806	1.464	21	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(H)2	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.2035	0.005	2	109.2035	0.000	2	109.2806	1.464	21	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6,6]HH)(H)2	C[6](C[3,6,6]C[3,6,6]C[5,6]O[3])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6](C[3,6,6]C[3,6,6]C[5,6]O[3])(C[6]C[6,6]HH)(H)2{1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	106.4375	0.571	2	106.4375	0.326	2	109.2806	1.464	21	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6,6]HH)(H)2	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3810	0.004	2	109.3810	0.000	2	109.2806	1.464	21	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6,6]HH)(H)2	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6,6]HH)(H)2{1|O<2>,7|C<4>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5857	0.033	4	109.5857	0.001	4	109.2806	1.464	21	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[3,6,6]HH)(H)2	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[3,6,6]HH)(H)2{2|H<1>,6|C<4>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.4045	0.005	2	109.4045	0.000	2	109.2806	1.464	21	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[3,6,6]HH)(H)2	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[3,6,6]HH)(H)2{1|H<1>,6|C<4>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HH)(H)2{1|N<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3700	0.000	1	109.3700	0.000	1	109.2806	1.464	21	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[3,6,6]HH)(H)2	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[3,6,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	110.8785	2.205	2	110.8785	4.864	2	109.2806	1.464	21	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[3,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0025	0.016	2	109.0025	0.000	2	109.0866	0.996	33	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,4,6]C[3,4]O)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[3,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	C[6](C[3,6]C[3,4,6]C[3,4]O)(C[6]C[6,6]HH)(H)2{1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.7100	0.042	2	108.7100	0.002	2	109.0866	0.996	33	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[3,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8507	0.131	7	108.8507	0.017	7	109.0866	0.996	33	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[3,6]HH)(H)2{1|O<2>,7|C<4>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6,6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4795	0.026	2	109.4795	0.001	2	109.0866	0.996	33	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6,6]HH)(H)2{2|Br<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.4500	0.195	4	108.4866	0.024	7	109.0866	0.996	33	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6,6]HH)(H)2{2|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.5353	0.088	3	108.4866	0.024	7	109.0866	0.996	33	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]HH)(H)2{1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.1580	0.020	2	108.1580	0.000	2	109.0866	0.996	33	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)2{3|O<2>,5|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.9350	0.000	1	109.9350	0.000	1	109.0866	0.996	33	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9950	0.800	6	108.9950	0.640	6	109.0866	0.996	33	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)2{1|O<2>,7|C<4>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6,6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5505	0.026	2	109.5505	0.001	2	109.0866	0.996	33	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]S[6]C)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]S[6]C)(C[6]C[3,6]HH)(H)2{1|C<3>,1|S<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|S<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	112.3950	0.293	2	112.3950	0.086	2	109.0866	0.996	33	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[3x5,6]HH)(H)2	C[6](C[3x5,6]C[5,5,6]C[5,5]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[3x5,6]HH)(H)2{1|O<2>,7|C<4>}	C[6](C[3x5,6]C[5,5,6]C[5,5]2)(C[6]C[6,6]HH)(H)2{2|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.1846	0.157	8	108.1846	0.025	8	108.1846	0.025	8	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[3x6]ClH)(H)2	C[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6,6]HH)(Cl)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[3x6]ClH)(H)2{8|C<4>}	C[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6,6]HH)(Cl)(H){1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9690	0.017	2	108.9690	0.000	2	108.9690	0.000	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[3x6]HH)(H)2	C[6](C[3x6]C[6,6]O[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[3x6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6](C[3x6]C[6,6]O[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3445	0.042	2	109.3445	0.002	2	109.3914	0.067	15	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[4x6]C[5,6]H)(C[6]C[3x6]HH)(H)2	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4x6]C[5,6]H)(C[6]C[3x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1060	0.062	3	109.1060	0.004	3	109.3914	0.067	15	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[3x6]HH)(H)2	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[3x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	H(C[6]C[6,6]C[6]H)	109.1515	0.057	2	109.1515	0.003	2	109.3914	0.067	15	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3x6]HH)(H)2	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3x6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.3530	0.007	2	109.3530	0.000	2	109.3914	0.067	15	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3x6]HH)(H)2	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3x6]HH)(H)2{1|C<3>,7|C<4>}	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.7580	0.057	4	109.6425	0.035	6	109.3914	0.067	15	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3x6]HH)(H)2	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3x6]HH)(H)2{8|C<4>}	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6,6]HH)(H)2{1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4115	0.063	2	109.6425	0.035	6	109.3914	0.067	15	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4,5,6]HH)(H)2	C[6](C[4,5,6]C[4,5,6]C[5,6]C[4])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4,5,6]HH)(H)2{8|C<4>}	C[6](C[4,5,6]C[4,5,6]C[5,6]C[4])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3412	0.062	5	109.3412	0.004	5	109.3412	0.004	5	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4,6,6]HH)(H)2	C[6](C[4,6,6]C[3,4,6]C[4,6,6]N[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4,6,6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[6](C[4,6,6]C[3,4,6]C[4,6,6]N[6])(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	107.9330	1.711	2	107.9330	2.928	2	108.0528	0.995	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4,6,6]HH)(H)2	C[6](C[4,6,6]C[4,6,6]C[4,6]N[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4,6,6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[6](C[4,6,6]C[4,6,6]C[4,6]N[6])(C[6]C[6,6]HH)(H)2{2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.1725	0.005	2	108.1725	0.000	2	108.0528	0.995	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[4,6]HH)(H)2	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[4,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.6940	0.004	2	108.6940	0.000	2	108.9069	2.633	14	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[4,6]HH)(H)2	C[6](C[4,6]C[4]2C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[4,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[4,6]C[4]2C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8505	0.151	4	108.8505	0.023	4	108.9069	2.633	14	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[4,6]HH)(H)2	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[4,6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	111.7465	1.333	2	111.7465	1.777	2	108.9069	2.633	14	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[4,6]HH)(H)2	C[6](C[4,6]C[4,6,6]C[6a]C[4])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[4,6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[4,6]C[4,6,6]C[6a]C[4])(C[6]C[6,6]HH)(H)2{2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	107.1620	3.077	2	107.1620	9.470	2	108.9069	2.633	14	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4,6]HH)(H)2	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.5225	0.035	4	108.5225	0.001	4	108.9069	2.633	14	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[4x6]HH)(H)2	C[6](C[4x6]C[3,3x6]C[6,6]O[6,6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[4x6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6](C[4x6]C[3,3x6]C[6,6]O[6,6])(C[6]C[6,6]HH)(H)2{3|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.8270	0.030	2	108.8270	0.001	2	109.1596	0.423	73	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[4x6]HH)(H)2	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[4x6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1432	0.215	4	109.0959	0.021	10	109.1596	0.423	73	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[4x6]HH)(H)2	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[4x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6,6]HH)(H)2{3|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.0960	0.088	3	109.0959	0.021	10	109.1596	0.423	73	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[4x6]HH)(H)2	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[4x6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6,6]HH)(H)2{3|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.9360	0.000	1	109.0959	0.021	10	109.1596	0.423	73	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[4x6]HH)(H)2	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[4x6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0810	0.010	2	109.0959	0.021	10	109.1596	0.423	73	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{1|C<3>,7|C<4>}	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5375	0.056	2	109.1467	0.571	49	109.1596	0.423	73	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{1|C<3>,7|C<4>}	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.7010	0.051	2	109.1467	0.571	49	109.1596	0.423	73	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{1|C<3>,7|C<4>}	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.4256	0.033	8	109.1467	0.571	49	109.1596	0.423	73	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{1|C<3>,7|C<4>}	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.6530	0.025	2	109.1467	0.571	49	109.1596	0.423	73	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{1|C<3>,7|C<4>}	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{3|H<1>,3|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.7240	0.011	2	109.1467	0.571	49	109.1596	0.423	73	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{2|C<3>,6|C<4>}	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	107.7220	0.434	6	109.1467	0.571	49	109.1596	0.423	73	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{2|C<3>,6|C<4>}	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.6972	0.092	10	109.1467	0.571	49	109.1596	0.423	73	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{3|C<3>,5|C<4>}	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	108.2523	0.096	4	109.1467	0.571	49	109.1596	0.423	73	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{3|C<3>,5|C<4>}	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.1800	0.047	2	109.1467	0.571	49	109.1596	0.423	73	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{3|C<3>,5|C<4>}	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.2740	0.020	2	109.1467	0.571	49	109.1596	0.423	73	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{8|C<4>}	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.6312	0.052	4	109.1467	0.571	49	109.1596	0.423	73	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{8|C<4>}	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{2|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.5133	0.032	3	109.1467	0.571	49	109.1596	0.423	73	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{8|C<4>}	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.6320	0.040	2	109.1467	0.571	49	109.1596	0.423	73	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{2|C<3>,6|C<4>}	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[6]C[6,6]HH)(H)2{2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5847	0.111	6	109.5847	0.012	6	109.1596	0.423	73	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	C[6](C[4x6]C[6,6,6a]C[3x6]C[6,6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{3|C<3>,5|C<4>}	C[6](C[4x6]C[6,6,6a]C[3x6]C[6,6])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	108.3845	0.011	2	108.3845	0.000	2	109.1596	0.423	73	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[4x6]HH)(H)2	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[4x6]HH)(H)2{1|C<3>,7|C<4>}	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3930	0.051	4	109.3930	0.003	4	109.1596	0.423	73	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(H)2	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(H)2{1|C<3>,7|C<4>}	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(H)2{5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.7338	0.073	5	109.7227	0.004	7	109.3397	0.160	16	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(H)2	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(H)2{8|C<4>}	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(H)2{1|N<4>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.6950	0.016	2	109.7227	0.004	7	109.3397	0.160	16	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(H)2	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(H)2{2|C<3>,6|C<4>}	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{4|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.8722	0.221	5	108.8722	0.049	5	109.3397	0.160	16	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(H)2	C[6](C[5,3x6]C[5,5,6]C[5,6,6]C[6,6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(H)2{2|C<3>,6|C<4>}	C[6](C[5,3x6]C[5,5,6]C[5,6,6]C[6,6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.2540	0.107	4	109.2540	0.011	4	109.3397	0.160	16	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,4x6]HH)(H)2	C[6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,4x6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6]C[6,6]HH)(H)2{1|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9895	0.005	2	108.9895	0.000	2	108.9895	0.000	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6,6]HH)(H)2	C[6](C[5,5,6,6]C[5,5,6]2O[5,6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6,6]HH)(H)2{1|O<2>,7|C<4>}	C[6](C[5,5,6,6]C[5,5,6]2O[5,6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3960	0.021	2	109.3960	0.000	2	109.3960	0.000	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,5,6]BrH)(H)2	C[6](C[5,5,6]C[3x5]O[5,6]C[5])(C[6]C[6,6]HH)(Br)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,5,6]BrH)(H)2{1|O<1>,1|O<2>,5|C<4>}	C[6](C[5,5,6]C[3x5]O[5,6]C[5])(C[6]C[6,6]HH)(Br)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1860	0.015	4	109.1860	0.000	4	109.1860	0.000	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,5,6]HH)(H)2	C[6](C[5,5,6]C[5,5,6,6]C[3x5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,5,6]C[5,5,6,6]C[3x5,6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8950	0.089	2	108.8950	0.008	2	109.1965	0.152	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,5,6]HH)(H)2	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|N<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8600	0.033	2	108.8600	0.001	2	109.1965	0.152	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6]HH)(H)2	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8650	0.000	1	109.5408	0.148	5	109.1965	0.152	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6]HH)(H)2	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6]HH)(H)2{2|C<3>,5|C<4>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.7795	0.025	2	109.5408	0.148	5	109.1965	0.152	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6]HH)(H)2	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6]HH)(H)2{2|C<3>,5|C<4>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<4>,2|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.6400	0.052	2	109.5408	0.148	5	109.1965	0.152	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[5,5,6]HH)(H)2	C[6](C[5,5,6]C[5,5,6,6]C[5]N[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[5,5,6]HH)(H)2{1|N<3>,2|H<1>,3|C<4>}	C[6](C[5,5,6]C[5,5,6,6]C[5]N[5])(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.0480	0.037	3	109.0480	0.001	3	109.1965	0.152	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.6877	0.021	3	109.6877	0.000	3	109.1629	0.477	160	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[5,6]H)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[5,6]H)(C[6]C[5,6,6]HH)(H)2{2|H<1>,6|C<4>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	111.6825	0.992	2	111.6825	0.984	2	109.1629	0.477	160	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5,6]C)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]N[5,6]O[5,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[5,6]C)(C[6]C[5,6,6]HH)(H)2{1|N<3>,2|O<2>,5|C<4>}	C[6](C[5,6,6]N[5,6]O[5,6]C[6])(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.1870	0.048	3	109.1870	0.002	3	109.1629	0.477	160	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	107.1131	0.484	7	107.1131	0.235	7	109.1629	0.477	160	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8255	0.056	4	108.8864	0.041	14	109.1629	0.477	160	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.6538	0.105	4	108.8864	0.041	14	109.1629	0.477	160	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2{1|O<2>,2|C<3>,5|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0705	0.104	4	108.8864	0.041	14	109.1629	0.477	160	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2{1|O<2>,3|C<3>,4|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1050	0.021	2	108.8864	0.041	14	109.1629	0.477	160	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|O<2>,2|C<3>,5|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8205	0.037	2	108.8390	0.001	4	109.1629	0.477	160	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|O<2>,2|C<3>,5|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8575	0.022	2	108.8390	0.001	4	109.1629	0.477	160	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6,6]HH)(H)2{2|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2670	0.000	1	109.2670	0.000	1	109.1629	0.477	160	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6,6]HH)(H)2{2|H<1>,3|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0007	0.056	4	109.0007	0.003	4	109.1629	0.477	160	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2{2|C<3>,3|C<4>,3|O<2>}	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6,6]HH)(H)2{1|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.1350	0.021	2	108.1350	0.000	2	109.1629	0.477	160	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]N[5,6]O[5,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,4|C<4>}	C[6](C[5,6,6]N[5,6]O[5,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9240	0.000	1	108.9240	0.000	1	109.1629	0.477	160	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[5,6,6]HH)(H)2{2|C<3>,5|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	110.0725	0.022	2	110.0725	0.000	2	109.1629	0.477	160	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9570	0.041	4	108.8723	0.015	24	109.1629	0.477	160	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8554	0.126	20	108.8723	0.015	24	109.1629	0.477	160	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6,6]HH)(H)2{1|O<2>,7|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.2153	0.088	3	109.2153	0.008	3	109.1629	0.477	160	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6,6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.0845	0.013	2	108.9260	0.034	4	109.1629	0.477	160	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6,6]HH)(H)2{1|H<1>,3|O<2>,4|C<4>}	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6,6]HH)(H)2{7|C<4>}	H(C[6]C[6,6]C[6]H)	108.7675	0.023	2	108.9260	0.034	4	109.1629	0.477	160	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[3,5]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{2|C<3>,6|C<4>}	C[6](C[5,6,6]C[3,5]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.9805	0.011	2	109.9805	0.000	2	109.1629	0.477	160	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.8300	0.000	1	108.8300	0.000	1	109.1629	0.477	160	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{3|C<3>,5|C<4>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2525	0.042	2	109.2525	0.002	2	109.1629	0.477	160	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.7040	0.057	2	109.4615	0.161	73	109.1629	0.477	160	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<4>,2|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.6900	0.028	2	109.4615	0.161	73	109.1629	0.477	160	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>,3|O<2>}	H(C[6]C[6,6]C[6]H)	109.4600	0.008	2	109.4615	0.161	73	109.1629	0.477	160	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8720	0.024	2	109.4615	0.161	73	109.1629	0.477	160	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,6|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.8160	0.028	2	109.4615	0.161	73	109.1629	0.477	160	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,7|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|Br<1>,1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4035	0.006	2	109.4615	0.161	73	109.1629	0.477	160	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,7|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.7355	0.026	2	109.4615	0.161	73	109.1629	0.477	160	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,7|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6833	0.034	6	109.4615	0.161	73	109.1629	0.477	160	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,7|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.6938	0.135	26	109.4615	0.161	73	109.1629	0.477	160	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,7|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.5838	0.096	4	109.4615	0.161	73	109.1629	0.477	160	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,7|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.6130	0.041	2	109.4615	0.161	73	109.1629	0.477	160	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,7|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7260	0.006	2	109.4615	0.161	73	109.1629	0.477	160	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,7|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.7643	0.070	3	109.4615	0.161	73	109.1629	0.477	160	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{2|C<3>,6|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7355	0.164	4	109.4615	0.161	73	109.1629	0.477	160	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{3|C<3>,5|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.5575	0.005	2	109.4615	0.161	73	109.1629	0.477	160	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{3|C<3>,5|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1008	0.157	4	109.4615	0.161	73	109.1629	0.477	160	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{8|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.7343	0.044	4	109.4615	0.161	73	109.1629	0.477	160	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{8|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.7430	0.023	2	109.4615	0.161	73	109.1629	0.477	160	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6]HH)(H)2{4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.5610	0.006	2	109.5727	0.000	3	109.1629	0.477	160	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|O<2>,7|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.5960	0.000	1	109.5727	0.000	3	109.1629	0.477	160	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[3,6,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[5,6,6]C[3,6,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>,3|O<2>}	H(C[6]C[6,6]C[6]H)	108.7605	0.009	2	108.7605	0.000	2	109.1629	0.477	160	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6,6]HH)(H)2{1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6,6]HH)(H)2{2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.4637	0.014	3	108.4637	0.000	3	109.1629	0.477	160	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.5410	0.010	2	109.5410	0.000	2	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.5300	0.031	2	108.5300	0.001	2	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.7828	0.139	4	108.7828	0.019	4	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.8110	0.010	2	109.5152	0.071	6	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.2800	0.017	3	109.5152	0.071	6	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.6290	0.000	1	109.5152	0.071	6	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[4x6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4x6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5830	0.048	2	109.5830	0.002	2	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0993	0.211	3	108.6639	0.387	7	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8935	0.022	2	108.6639	0.387	7	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	107.7810	0.011	2	108.6639	0.387	7	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[4x6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.3880	0.044	2	108.0725	0.323	6	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[4x6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.4875	0.026	2	108.0725	0.323	6	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[4x6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	107.3420	0.051	2	108.0725	0.323	6	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2{3|C<4>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,3|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.4255	0.005	2	109.4255	0.000	2	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.5503	0.014	4	108.5503	0.000	4	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{8|C<4>}	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2615	0.015	2	109.2615	0.000	2	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2225	0.081	6	108.9714	0.028	38	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	108.9655	0.032	2	108.9714	0.028	38	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|N<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9561	0.086	15	108.9714	0.028	38	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1550	0.000	1	108.9714	0.028	38	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8951	0.135	10	108.9714	0.028	38	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8760	0.025	2	108.9714	0.028	38	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|O<2>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.7250	0.361	2	108.9714	0.028	38	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.1093	0.030	4	108.4806	0.174	29	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9570	0.000	1	108.4806	0.174	29	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.1607	0.190	3	108.4806	0.174	29	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.2647	0.013	3	108.4806	0.174	29	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0080	0.035	2	108.4806	0.174	29	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8600	0.356	4	108.4806	0.174	29	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0425	0.008	2	108.4806	0.174	29	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.3685	0.433	8	108.4806	0.174	29	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.3890	0.027	2	108.4806	0.174	29	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.2578	0.028	6	108.2578	0.001	6	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[5,6]HH)(H)2{8|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8555	0.028	2	108.8555	0.001	2	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0210	0.060	5	109.0210	0.004	5	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5,6]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,5,6]C[5,6]C)(C[6]C[6,6]HH)(H)2{3|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8865	0.025	2	108.8865	0.001	2	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2807	0.344	8	109.2807	0.118	8	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2{2|H<1>,6|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|N<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.1635	0.030	2	108.1635	0.001	2	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6,6]HH)(H)2{1|N<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.2080	0.037	2	108.2080	0.001	2	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.5977	0.271	6	108.5977	0.073	6	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>,3|O<2>}	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6,6]HH)(H)2{6|C<4>}	H(C[6]C[6,6]C[6]H)	108.4470	0.000	1	108.4022	0.001	5	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|H<1>,3|O<2>,4|C<4>}	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6,6]HH)(H)2{6|C<4>}	H(C[6]C[6,6]C[6]H)	108.3910	0.021	4	108.4022	0.001	5	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.5857	0.081	7	109.5857	0.007	7	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7295	0.011	4	108.7295	0.000	4	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.4410	0.000	1	108.4410	0.000	1	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7780	0.069	2	108.7780	0.005	2	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,3|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2{1|Cl<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.5757	0.089	4	108.5757	0.008	4	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2{2|H<1>,3|C<4>,3|O<2>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9442	0.044	4	108.9442	0.002	4	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8565	0.019	2	108.8565	0.000	2	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,3|O<2>}	H(C[6]C[6,6]C[6]H)	108.7570	0.046	3	108.7570	0.002	3	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[5,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.7870	0.031	2	108.7870	0.001	2	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]O[6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]O[6]C)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7160	0.038	2	108.7160	0.001	2	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]O[6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]O[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.5272	0.140	4	108.5272	0.020	4	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,5|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.6995	0.013	2	109.6995	0.000	2	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.4300	0.034	2	109.4300	0.001	2	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.2015	0.035	2	108.2015	0.001	2	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(H)2{2|H<1>,3|C<4>,3|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2{6|C<4>}	H(C[6]C[6,6]C[6]H)	108.7235	0.011	2	108.7235	0.000	2	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]S[5]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|S<2>,4|C<4>}	C[6](C[5,6]C[6]S[5]2)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.3410	2.756	2	108.3410	7.597	2	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9360	0.076	2	108.9360	0.006	2	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1577	0.084	4	109.0505	0.146	18	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1510	0.025	2	109.0505	0.146	18	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8870	0.425	10	109.0505	0.146	18	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|O<2>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.5530	0.028	2	109.0505	0.146	18	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8660	0.025	2	108.8660	0.001	2	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{2|C<4>,2|H<1>,4|O<2>}	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.3798	0.027	4	108.3798	0.001	4	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]O[6]2)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]N[5,6]O[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]O[6]2)(C[6]C[5,6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[5,6]N[5,6]O[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.0240	0.028	2	109.0240	0.001	2	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]S[6]2)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]S[6]2)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[6](C[5,6]C[5,6]O[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|S<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.5384	0.124	7	109.5384	0.015	7	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3937	0.357	3	109.3937	0.128	3	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[5,6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6,6]HH)(H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3950	0.017	2	109.3950	0.000	2	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.7810	0.030	4	108.6358	0.083	39	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.6155	0.108	8	108.6358	0.083	39	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.6655	0.329	2	108.6358	0.083	39	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.5367	0.146	25	108.6358	0.083	39	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|N<2>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.9115	0.035	2	108.6406	1.107	25	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.6883	0.717	6	108.6406	1.107	25	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.7455	2.990	2	108.6406	1.107	25	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9130	1.400	7	108.6406	1.107	25	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{2|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.4815	0.073	4	108.6406	1.107	25	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{2|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	H(C[6]C[6,6]C[6]H)	108.0637	0.617	4	108.6406	1.107	25	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	108.8465	0.054	2	108.8465	0.003	2	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4380	0.049	2	108.4380	0.002	2	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.7245	0.046	2	108.7245	0.002	2	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7428	0.054	4	108.7428	0.003	4	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,7|C<4>}	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.5895	0.063	2	109.1366	0.315	10	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,7|C<4>}	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6760	0.023	2	109.1366	0.315	10	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8875	0.013	2	109.1366	0.315	10	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,6|C<4>}	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.6115	0.037	2	109.1366	0.315	10	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{3|C<3>,5|C<4>}	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.9185	0.074	2	109.1366	0.315	10	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.6428	0.125	8	108.8354	0.081	17	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.3290	0.013	2	108.8354	0.081	17	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.7465	0.005	2	108.8354	0.081	17	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.7913	0.037	3	108.8354	0.081	17	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2670	0.033	2	108.8354	0.081	17	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0221	0.385	22	108.9113	0.282	90	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8740	0.185	6	108.9113	0.282	90	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8561	0.191	20	108.9113	0.282	90	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8625	2.565	4	108.9113	0.282	90	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2825	0.057	2	108.9113	0.282	90	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.7980	0.107	4	108.9113	0.282	90	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9450	0.021	2	108.9113	0.282	90	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8688	0.152	30	108.9113	0.282	90	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5a]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,5a]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.4620	0.096	7	108.5150	0.016	11	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5a]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,5a]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.5180	0.014	2	108.5150	0.016	11	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5a]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,5a]C[5,6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6975	0.135	2	108.5150	0.016	11	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|Br<1>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2790	0.016	2	109.2790	0.000	2	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8922	0.190	9	108.8922	0.036	9	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1500	0.017	2	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0960	0.037	2	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8310	0.564	2	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2302	0.984	10	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8850	0.089	3	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0273	0.277	17	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7375	0.028	2	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8752	0.374	6	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8095	0.201	39	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.5288	0.040	12	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|I<1>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.6945	0.121	6	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|N<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0502	0.208	6	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8600	0.014	2	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9290	0.409	95	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9346	0.052	10	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9133	0.121	19	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.7317	0.314	167	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8890	0.014	2	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8545	0.026	2	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9809	0.120	19	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9550	0.028	2	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0185	0.040	2	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2250	0.011	2	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.6919	0.203	8	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2275	0.023	2	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9870	0.014	2	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.3880	0.286	21	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.6192	0.154	4	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.3330	0.037	2	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1585	0.033	2	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.4968	0.241	6	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1248	0.127	4	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|I<1>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6255	0.284	4	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.4518	0.090	4	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8135	0.174	13	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.4830	0.013	2	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1423	0.052	6	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.5452	0.319	6	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8837	0.134	4	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.4275	0.023	2	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9295	0.021	2	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8288	0.206	34	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2750	0.162	4	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3275	0.118	4	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.5093	0.483	15	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.6160	0.004	2	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9418	0.081	13	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.6645	0.130	4	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.7147	0.249	6	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8145	0.043	2	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	110.0400	0.865	2	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2830	0.004	2	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.7495	0.045	2	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.4187	0.031	3	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2261	0.229	21	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.7547	0.256	13	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1109	0.598	67	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9776	2.165	23	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8293	0.355	119	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.6733	0.269	6	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.7048	0.273	4	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	107.8910	0.991	2	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.4590	0.033	2	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.4150	0.000	1	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3515	0.054	2	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7561	0.187	8	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8120	0.061	2	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{3|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1320	0.000	1	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{3|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2867	1.974	4	108.8640	0.285	891	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7722	0.080	4	109.0641	0.172	34	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.8565	0.029	2	109.0641	0.172	34	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9340	0.079	2	109.0641	0.172	34	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.5400	0.869	4	109.0641	0.172	34	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0440	0.017	4	109.0641	0.172	34	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.9334	0.196	14	109.0641	0.172	34	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1870	0.010	2	109.0641	0.172	34	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8660	0.006	2	109.0641	0.172	34	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8305	0.063	2	108.8305	0.004	2	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6440	0.000	1	108.6440	0.000	1	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.9575	0.012	2	109.9575	0.000	2	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|S<2>,3|C<4>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6,6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.1150	0.004	2	109.1150	0.000	2	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.3113	0.129	4	109.3974	0.018	8	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,2|O<2>,3|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.5500	0.007	2	109.3974	0.018	8	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<4>,2|O<2>,3|C<3>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.4170	0.010	2	109.3974	0.018	8	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.6000	0.000	1	108.6000	0.000	1	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8720	0.102	4	108.8684	0.008	5	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.8540	0.000	1	108.8684	0.008	5	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.6800	0.006	2	108.6800	0.000	2	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.3565	0.023	2	108.3565	0.001	2	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.7590	0.061	2	108.7590	0.004	2	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0375	0.056	2	110.3894	4.516	8	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	110.0635	0.194	2	110.3894	4.516	8	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|O<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9620	0.045	2	110.3894	4.516	8	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	113.4945	2.084	2	110.3894	4.516	8	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6877	0.297	11	108.6689	0.067	41	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.5460	0.021	2	108.6689	0.067	41	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.8730	0.018	2	108.6689	0.067	41	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0847	0.061	4	108.6689	0.067	41	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.7140	0.000	1	108.6689	0.067	41	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7678	0.016	4	108.6689	0.067	41	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.5839	0.151	11	108.6689	0.067	41	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|Se<2>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.6865	0.036	2	108.6689	0.067	41	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.2752	0.028	4	108.6689	0.067	41	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.5640	0.049	2	108.5423	0.003	3	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2{6|C<4>}	H(C[6]C[6,6]C[6]H)	108.4990	0.000	1	108.5423	0.003	3	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(H)2{3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0757	0.099	3	109.0757	0.010	3	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8555	0.018	2	109.0445	0.048	4	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{1|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2335	0.016	2	109.0445	0.048	4	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[3,5,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[3,5,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.2680	0.016	2	109.2680	0.000	2	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[3,5]C[5]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{2|C<3>,6|C<4>}	C[6](C[5,6]C[3,5]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.7085	0.039	2	109.7085	0.002	2	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[3x5]C[5,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[3x5]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2245	0.132	4	109.2245	0.017	4	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1745	0.060	4	108.9862	0.087	6	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.6095	0.011	2	108.9862	0.087	6	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5a]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,7|C<4>}	C[6](C[5,6]C[5,5a]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9195	0.049	2	109.0805	0.019	6	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5a]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{2|C<3>,6|C<4>}	C[6](C[5,6]C[5,5a]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1610	0.073	4	109.0805	0.019	6	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|O<2>,2|O<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.6550	0.030	4	109.6550	0.001	4	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{8|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.3270	0.000	1	109.3055	0.001	2	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{8|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2840	0.000	1	109.3055	0.001	2	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.3705	0.367	4	109.3705	0.135	4	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8452	0.009	4	108.7703	0.065	8	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.3780	0.062	2	108.7703	0.065	8	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0125	0.019	2	108.7703	0.065	8	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1870	0.870	2	108.9386	0.106	35	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.4885	0.011	2	108.9386	0.106	35	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4545	0.021	2	108.9386	0.106	35	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.6736	0.407	5	108.9386	0.106	35	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1060	0.009	4	108.9386	0.106	35	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9505	0.006	2	108.9386	0.106	35	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.7500	0.061	2	108.9386	0.106	35	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7955	0.030	2	108.9386	0.106	35	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8955	0.112	4	108.9386	0.106	35	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8550	0.010	2	108.9386	0.106	35	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.9513	0.091	6	108.9386	0.106	35	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4035	0.026	2	108.9386	0.106	35	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|O<2>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0477	0.116	4	109.0477	0.014	4	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<2>,6|C<4>}	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.4752	0.073	4	109.4878	0.004	6	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|N<3>,7|C<4>}	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.5130	0.004	2	109.4878	0.004	6	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|O<2>,7|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2{1|B<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.3070	0.308	4	109.1718	0.073	16	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|O<2>,7|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1514	0.290	9	109.1718	0.073	16	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|O<2>,7|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0523	0.078	3	109.1718	0.073	16	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,7|C<4>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.6445	0.005	2	109.5080	0.025	4	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{2|C<3>,6|C<4>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.3715	0.040	2	109.5080	0.025	4	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.5930	0.013	2	108.5930	0.000	2	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[5,6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.5350	0.091	2	109.5350	0.008	2	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[5,6]HH)(H)2{1|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1000	0.000	1	109.1000	0.000	1	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[5,6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8360	0.047	2	108.8360	0.002	2	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[4,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[5,6]C[4,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8927	0.086	3	108.8927	0.007	3	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3487	0.240	4	109.2044	0.044	9	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1845	0.025	2	109.2044	0.044	9	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0480	0.000	1	109.2044	0.044	9	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0140	0.020	2	109.2044	0.044	9	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5a]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,5a]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8070	0.006	4	108.8070	0.000	4	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9835	0.025	2	109.0578	0.017	6	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9885	0.011	2	109.0578	0.017	6	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2015	0.146	2	109.0578	0.017	6	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9290	0.013	2	109.2133	1.313	225	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.3549	1.383	67	109.2133	1.313	225	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	115.1090	3.288	2	109.2133	1.313	225	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8500	0.000	1	109.2133	1.313	225	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1246	0.994	67	109.2133	1.313	225	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.8170	0.838	5	109.2133	1.313	225	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2425	0.111	4	109.2133	1.313	225	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.3442	0.306	6	109.2133	1.313	225	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.6235	0.466	2	109.2133	1.313	225	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0240	0.105	2	109.2133	1.313	225	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1910	0.004	2	109.2133	1.313	225	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9727	0.427	50	109.2133	1.313	225	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1075	0.006	2	109.2133	1.313	225	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8703	0.198	7	109.2133	1.313	225	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.7168	0.056	4	109.2133	1.313	225	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1695	0.054	2	109.2133	1.313	225	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3160	0.000	1	109.3160	0.000	1	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.3270	0.054	2	108.3270	0.003	2	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]S[5]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>,2|S<2>}	C[6](C[5,6]C[6]S[5]2)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.4360	0.051	2	109.4360	0.003	2	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9675	0.023	2	108.9675	0.001	2	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[5,6]HH)(H)2{2|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8060	0.013	2	108.8060	0.000	2	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[5,6]HH)(H)2{1|N<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1033	0.142	3	109.1033	0.020	3	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9850	0.731	6	108.9850	0.535	6	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{2|H<1>,6|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(H)2{1|N<4>,1|S<2>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.8375	0.060	2	108.8375	0.004	2	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|S<2>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6,6]HH)(H)2{1|N<4>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7140	0.000	1	108.7140	0.000	1	108.9256	0.430	1829	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]ClH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(Cl)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]ClH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(Cl)(H){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1680	0.299	5	109.1680	0.089	5	109.1680	0.089	5	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2455	0.009	2	109.2455	0.000	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[3x6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[3x6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4480	0.010	2	109.4480	0.000	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[5,6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[5,6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.6522	0.095	4	108.6522	0.009	4	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.1560	0.042	2	109.1560	0.002	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.3780	0.095	2	109.3212	0.185	36	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.4505	0.059	2	109.3212	0.185	36	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.3984	0.186	8	109.3212	0.185	36	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.4245	0.166	22	109.3212	0.185	36	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	107.6905	0.036	2	109.3212	0.185	36	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.4685	0.028	2	108.4685	0.001	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.0370	0.000	1	109.0370	0.000	1	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.9365	0.013	2	109.9365	0.000	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	107.8480	0.000	1	107.8480	0.000	1	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.6530	0.027	2	108.6530	0.001	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.0478	0.190	8	108.9351	0.051	12	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.7200	0.013	2	108.9351	0.051	12	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{8|C<4>}	H(C[6]C[6,6]C[6]H)	108.6995	0.047	2	108.9351	0.051	12	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.9010	0.040	2	108.9010	0.002	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.8060	0.109	2	109.6549	0.100	32	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.8960	0.100	6	109.6549	0.100	32	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.6590	0.035	2	109.6549	0.100	32	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.6776	0.097	20	109.6549	0.100	32	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.5500	0.023	2	109.6549	0.100	32	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	107.7440	0.000	1	107.7440	0.000	1	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.5506	0.208	8	109.5506	0.043	8	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0475	0.037	2	109.0475	0.001	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2657	0.031	4	109.2657	0.001	4	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>,3|O<2>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8620	0.025	2	108.8620	0.001	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1036	0.116	7	109.2555	0.029	19	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2892	0.066	4	109.2555	0.029	19	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{1|N<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.3400	0.099	2	109.2555	0.029	19	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{1|N<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2170	0.212	2	109.2555	0.029	19	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.4648	0.046	4	109.2555	0.029	19	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7285	0.021	2	108.8975	0.057	8	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9538	0.253	6	108.8975	0.057	8	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]N[3x6]N[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[6](C[6,6]N[3x6]N[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.9853	0.093	4	109.9853	0.009	4	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[4x6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4x6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.0170	0.000	1	108.8503	0.021	3	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[4x6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4x6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	H(C[6]C[6,6]C[6]H)	108.7670	0.008	2	108.8503	0.021	3	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]N[5,6,6]C[6]O)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|N<3>}	C[6](C[6,6]N[5,6,6]C[6]O)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6015	0.013	2	108.6015	0.000	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3120	0.049	2	109.3120	0.002	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.9947	0.102	4	108.9947	0.010	4	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	110.1130	0.011	2	110.1130	0.000	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.3010	0.011	2	109.3989	0.152	8	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.4315	0.456	6	109.3989	0.152	8	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.0774	0.083	16	109.0774	0.007	16	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2445	0.022	2	109.2472	0.119	6	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2100	0.000	1	109.2472	0.119	6	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2613	0.544	3	109.2472	0.119	6	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.8525	0.019	2	109.8525	0.000	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.9010	0.057	4	109.9010	0.003	4	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|C<3>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.6385	0.028	2	109.6385	0.001	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.7348	0.063	5	109.5927	0.043	15	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.5595	0.087	6	109.5927	0.043	15	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.7710	0.016	2	109.5927	0.043	15	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1590	0.028	2	109.5927	0.043	15	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1065	0.049	2	109.1065	0.002	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.1243	0.063	4	109.1243	0.004	4	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.1810	0.000	1	109.1810	0.000	1	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	110.1790	1.112	2	110.1790	1.236	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.2242	0.126	6	108.7770	0.062	54	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.7460	0.048	2	108.7770	0.062	54	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.3410	0.006	2	108.7770	0.062	54	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.0815	0.019	2	108.7770	0.062	54	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	H(C[6]C[6,6]C[6]H)	108.8637	0.108	42	108.7770	0.062	54	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{6|C<4>}	H(C[6]C[6,6]C[6]H)	108.7375	0.710	10	108.8625	0.323	17	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2343	0.146	3	108.8625	0.323	17	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8960	0.052	4	108.8625	0.323	17	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2576	0.050	7	109.2576	0.003	7	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.3305	0.063	2	109.2742	0.006	8	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.2555	0.077	6	109.2742	0.006	8	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2935	0.042	2	109.2935	0.002	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	110.2763	1.165	4	110.2763	1.358	4	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.0730	0.117	4	109.1563	0.034	39	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.2860	0.030	2	109.1563	0.034	39	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.1586	0.194	33	109.1563	0.034	39	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[5a]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[5a]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.4280	0.000	1	109.4280	0.000	1	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.5840	0.000	1	109.2178	0.420	422	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9322	0.262	6	109.2178	0.420	422	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3370	0.025	2	109.2178	0.420	422	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0072	0.132	16	109.2178	0.420	422	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2965	0.070	4	109.2178	0.420	422	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3645	0.043	2	109.2178	0.420	422	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|Cl<1>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8685	0.029	2	109.2178	0.420	422	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3200	0.000	1	109.2178	0.420	422	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2238	0.164	26	109.2178	0.420	422	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	110.0743	0.040	4	109.2178	0.420	422	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.3965	0.016	2	109.2178	0.420	422	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|Br<1>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9305	0.032	2	109.2178	0.420	422	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9377	0.164	3	109.2178	0.420	422	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3533	1.131	111	109.2178	0.420	422	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|Cl<1>,1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1750	0.121	3	109.2178	0.420	422	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|Cl<1>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9492	0.154	5	109.2178	0.420	422	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.0415	0.120	2	109.2178	0.420	422	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|N<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2515	0.070	2	109.2178	0.420	422	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9910	0.116	9	109.2178	0.420	422	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1540	0.247	8	109.2178	0.420	422	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.6313	0.761	6	109.2178	0.420	422	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1912	0.323	201	109.2178	0.420	422	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2343	0.037	4	109.2178	0.420	422	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|N<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0440	0.035	2	109.1050	0.006	4	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|N<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1660	0.052	2	109.1050	0.006	4	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.7315	2.208	2	109.2244	0.360	21	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.5830	0.064	2	109.2244	0.360	21	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1430	0.098	3	109.2244	0.360	21	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1070	0.401	6	109.2244	0.360	21	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1265	0.281	8	109.2244	0.360	21	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0307	0.312	4	109.0307	0.097	4	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.3134	0.095	10	109.3134	0.009	10	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]N)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]N)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1475	0.129	6	109.1475	0.017	6	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.9865	0.067	2	108.9865	0.005	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6,6]HH)(H)2{1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.6745	0.045	2	108.7593	0.006	6	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6,6]HH)(H)2{1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8017	0.040	4	108.7593	0.006	6	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8740	0.162	3	108.8740	0.026	3	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	110.5605	4.035	2	109.5624	7.914	14	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	112.3000	7.990	2	109.5624	7.914	14	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.8065	0.018	2	109.5624	7.914	14	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9045	0.011	2	109.5624	7.914	14	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.9427	0.080	3	109.5624	7.914	14	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.6340	0.071	3	109.5624	7.914	14	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.6861	0.080	8	108.6861	0.006	8	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.4573	0.051	4	108.7912	0.492	133	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.5065	0.088	4	108.7912	0.492	133	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.7210	0.422	51	108.7912	0.492	133	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.6038	0.095	5	108.7912	0.492	133	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.6898	0.107	6	108.7912	0.492	133	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8165	0.074	2	108.7912	0.492	133	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.6480	1.914	10	108.7912	0.492	133	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1910	0.000	1	108.7912	0.492	133	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.6601	0.458	38	108.7912	0.492	133	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.6470	0.000	1	108.7912	0.492	133	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{3|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1100	0.047	2	108.7912	0.492	133	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{3|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.5400	0.000	1	108.7912	0.492	133	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{3|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	110.2530	0.406	2	108.7912	0.492	133	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{3|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.5180	0.169	4	108.7912	0.492	133	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{3|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0355	0.043	2	108.7912	0.492	133	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.7065	0.039	4	108.7797	0.127	219	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.8352	0.131	6	108.7797	0.127	219	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.7082	0.068	4	108.7797	0.127	219	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.7295	0.015	2	108.7797	0.127	219	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.6701	0.703	28	108.7797	0.127	219	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	H(C[6]C[6,6]C[6]H)	108.8116	0.406	38	108.7797	0.127	219	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.4710	0.023	2	108.7797	0.127	219	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.8681	0.156	11	108.7797	0.127	219	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.8642	0.141	4	108.7797	0.127	219	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.3345	1.781	2	108.7797	0.127	219	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	H(C[6]C[6,6]C[6]H)	108.9103	0.195	29	108.7797	0.127	219	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.9845	0.057	2	108.7797	0.127	219	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	H(C[6]C[6,6]C[6]H)	109.0095	0.023	2	108.7797	0.127	219	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.8642	0.163	4	108.7797	0.127	219	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.8046	0.071	17	108.7797	0.127	219	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.9340	0.011	2	108.7797	0.127	219	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	H(C[6]C[6,6]C[6]H)	108.7422	0.142	54	108.7797	0.127	219	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	H(C[6]C[6,6]C[6]H)	108.6166	0.127	8	108.7797	0.127	219	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,5|C<4>}	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6650	0.010	2	108.6650	0.000	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9615	0.079	4	108.9615	0.006	4	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0240	0.041	2	109.0240	0.002	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9980	0.197	6	108.8982	0.059	10	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9635	0.028	2	108.8982	0.059	10	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.5335	0.015	2	108.8982	0.059	10	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.5233	0.095	8	108.6781	0.170	11	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{2|C<3>,6|C<4>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.8820	0.000	1	108.6781	0.170	11	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{8|C<4>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6955	0.016	2	108.6781	0.170	11	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.2611	0.121	15	109.2611	0.015	15	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8335	0.135	2	108.8335	0.018	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.2315	0.028	2	108.9863	0.055	40	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.9123	0.095	4	108.9863	0.055	40	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.9806	0.245	34	108.9863	0.055	40	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.5784	0.092	8	108.5784	0.009	8	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.0152	0.119	6	109.1058	0.032	9	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.3630	0.018	2	109.1058	0.032	9	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.1350	0.000	1	109.1058	0.032	9	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9870	0.059	4	109.0514	0.073	24	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9565	0.043	2	109.0514	0.073	24	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1700	0.000	1	109.0514	0.073	24	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2925	0.021	2	109.0514	0.073	24	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8184	0.050	8	109.0514	0.073	24	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0635	0.093	4	109.0514	0.073	24	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{8|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.8520	0.000	1	109.0514	0.073	24	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{8|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.4820	0.045	2	109.0514	0.073	24	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.0175	0.015	2	109.5136	2.023	13	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2235	0.030	2	109.5136	2.023	13	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.8995	0.013	2	109.5136	2.023	13	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.4150	1.348	2	109.5136	2.023	13	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1690	0.018	3	109.5136	2.023	13	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	112.5295	0.289	2	109.5136	2.023	13	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6,6]HH)(H)2{2|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.9147	0.073	4	109.9147	0.005	4	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,5|C<4>}	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3070	0.037	4	109.1333	0.035	8	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,5|C<4>}	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9595	0.023	4	109.1333	0.035	8	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2840	0.010	2	109.1550	0.022	4	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0260	0.007	2	109.1550	0.022	4	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9755	0.071	2	108.9755	0.005	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>,3|O<2>}	H(C[6]C[6,6]C[6]H)	109.4355	0.008	2	109.4355	0.000	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[5a]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[5a]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.7295	0.029	2	108.7295	0.001	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3,6,6]C[3x6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3,6,6]C[3x6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.5780	0.014	2	108.5780	0.000	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3,6,6]C[5,6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3,6,6]C[5,6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.7625	0.090	4	108.7625	0.008	4	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.7380	0.010	2	108.9245	0.064	8	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.8100	0.078	2	108.9245	0.064	8	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0750	0.291	4	108.9245	0.064	8	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9180	0.074	2	108.9557	0.679	129	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.2875	0.048	4	108.9557	0.679	129	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.5805	0.006	2	108.9557	0.679	129	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1060	0.000	1	108.9557	0.679	129	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.9454	0.513	50	108.9557	0.679	129	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2487	0.378	36	108.9557	0.679	129	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	110.8445	1.904	2	108.9557	0.679	129	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2908	0.288	4	108.9557	0.679	129	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{3|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	108.9170	0.079	2	108.9557	0.679	129	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.0930	0.099	4	108.9557	0.679	129	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.3210	0.000	1	108.9557	0.679	129	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	107.7385	0.562	4	108.9557	0.679	129	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1128	0.061	5	108.9557	0.679	129	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0355	0.136	2	108.9557	0.679	129	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	107.4841	1.642	10	108.9557	0.679	129	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.0920	0.000	1	109.0810	0.071	24	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{8|C<4>}	H(C[6]C[6,6]C[6]H)	108.7805	0.053	2	109.0810	0.071	24	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.3060	0.051	2	109.0810	0.071	24	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2269	0.089	7	109.0810	0.071	24	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.6953	0.229	4	109.0810	0.071	24	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.3332	0.033	4	109.0810	0.071	24	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.1485	0.045	2	109.0810	0.071	24	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{8|C<4>}	H(C[6]C[6,6]C[6]H)	108.8400	0.075	2	109.0810	0.071	24	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2O)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>,3|O<2>}	C[6](C[6,6]C[6,6]2O)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.4265	0.033	2	109.4265	0.001	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8203	0.204	9	108.8777	0.187	59	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.1395	0.018	2	108.8777	0.187	59	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.5940	0.017	2	108.8777	0.187	59	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	H(C[6]C[6,6]C[6]H)	108.8350	0.004	2	108.8777	0.187	59	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	H(C[6]C[6,6]C[6]H)	110.5460	0.957	2	108.8777	0.187	59	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.1065	0.009	2	108.8777	0.187	59	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.3978	0.069	4	108.8777	0.187	59	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<2>,3|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.1808	0.067	4	108.8777	0.187	59	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8132	0.072	4	108.8777	0.187	59	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	H(C[6]C[6,6]C[6]H)	108.4780	0.112	4	108.8777	0.187	59	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.5775	0.125	8	108.8777	0.187	59	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.6125	0.064	2	108.8777	0.187	59	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.7950	0.103	12	108.8777	0.187	59	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	H(C[6]C[6,6]C[6]H)	108.5480	0.072	2	108.8777	0.187	59	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	110.4665	0.186	2	108.9412	0.251	39	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{6|C<4>}	H(C[6]C[6,6]C[6]H)	108.7374	0.430	17	108.9412	0.251	39	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9790	0.071	2	108.9412	0.251	39	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1485	0.025	2	108.9412	0.251	39	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.3885	0.098	2	108.9412	0.251	39	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.7782	0.132	4	108.9412	0.251	39	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{6|C<4>}	H(C[6]C[6,6]C[6]H)	109.1226	0.052	8	108.9412	0.251	39	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{6|C<4>}	H(C[6]C[6,6]C[6]H)	109.0565	0.013	2	108.9412	0.251	39	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,3|O<2>}	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.5350	0.007	2	108.5350	0.000	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1138	0.082	9	109.0377	0.032	13	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0660	0.021	2	109.0377	0.032	13	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.6670	0.058	2	109.0377	0.032	13	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6,6]HH)(H)2{2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|Cr<9>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.2375	0.018	2	108.2375	0.000	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3,5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[3,5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.5405	0.009	2	109.5405	0.000	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.7685	0.019	2	109.7685	0.000	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.7690	0.023	2	109.7690	0.001	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,6|C<4>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.8020	0.018	2	109.8020	0.000	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.4110	0.042	2	109.4110	0.002	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[4x6]C[6,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	C[6](C[6,6]C[4x6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3130	0.062	2	109.3407	0.002	4	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[4x6]C[6,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	C[6](C[6,6]C[4x6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.3685	0.016	2	109.3407	0.002	4	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.4510	0.000	1	109.4510	0.000	1	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.6170	0.040	4	109.6170	0.002	4	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.7885	0.036	2	109.5083	0.073	54	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.3647	0.382	6	109.5083	0.073	54	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.5790	0.000	1	109.5083	0.073	54	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9250	0.000	1	109.5083	0.073	54	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.5496	0.191	44	109.5083	0.073	54	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|Br<1>,2|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.4505	0.008	2	109.3154	0.235	415	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.4540	0.008	3	109.3154	0.235	415	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.3503	0.096	4	109.3154	0.235	415	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.6238	0.090	15	109.3154	0.235	415	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9600	0.035	2	109.3154	0.235	415	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3495	0.069	6	109.3154	0.235	415	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.5880	0.024	2	109.3154	0.235	415	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2829	0.599	109	109.3154	0.235	415	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|Cl<1>,1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.3037	0.226	3	109.3154	0.235	415	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|Cl<1>,2|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.3432	0.528	6	109.3154	0.235	415	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.5025	0.057	2	109.3154	0.235	415	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8940	0.037	2	109.3154	0.235	415	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.2525	0.033	2	109.3154	0.235	415	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.3065	0.066	2	109.3154	0.235	415	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|N<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.3695	0.036	2	109.3154	0.235	415	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1716	0.375	7	109.3154	0.235	415	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.5495	0.033	2	109.3154	0.235	415	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.6439	0.037	8	109.3154	0.235	415	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.3347	0.358	6	109.3154	0.235	415	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|Cl<1>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2145	0.018	2	109.3154	0.235	415	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.3790	0.165	26	109.3154	0.235	415	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2922	0.507	198	109.3154	0.235	415	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1595	0.055	4	109.3154	0.235	415	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]N)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]N)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.5182	0.270	6	109.5182	0.073	6	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4860	0.000	1	109.4860	0.000	1	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,6|C<4>}	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6,6]HH)(H)2{1|O<1>,2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.8490	0.021	2	109.6638	0.021	6	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|C<3>,5|C<4>}	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6,6]HH)(H)2{1|O<1>,2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.5713	0.029	4	109.6638	0.021	6	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.5560	0.035	2	109.5697	0.166	219	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.6735	0.036	4	109.5697	0.166	219	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.5823	0.226	6	109.5697	0.166	219	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.8358	0.685	28	109.5697	0.166	219	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.6630	0.013	2	109.5697	0.166	219	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.6454	0.219	12	109.5697	0.166	219	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.5915	0.018	2	109.5697	0.166	219	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.5487	0.074	19	109.5697	0.166	219	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,6|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.6497	0.096	4	109.5697	0.166	219	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,6|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.5403	0.060	4	109.5697	0.166	219	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,6|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.6840	0.031	2	109.5697	0.166	219	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.6282	0.071	4	109.5697	0.166	219	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2700	3.353	2	109.5697	0.166	219	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.4651	0.360	37	109.5697	0.166	219	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.5872	0.141	27	109.5697	0.166	219	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.4570	0.000	1	109.5697	0.166	219	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.5378	0.164	55	109.5697	0.166	219	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1366	0.218	8	109.5697	0.166	219	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.6175	0.043	2	109.9199	2.778	13	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1770	0.017	2	109.9199	2.778	13	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	112.3545	4.202	2	109.9199	2.778	13	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.2710	0.042	2	109.9199	2.778	13	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2403	0.047	3	109.9199	2.778	13	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	110.1990	0.378	2	109.9199	2.778	13	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<2>,3|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.4310	0.058	3	109.4779	0.226	54	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.6185	0.246	8	109.4779	0.226	54	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.7560	0.043	4	109.4779	0.226	54	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.6797	0.074	8	109.4779	0.226	54	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.5610	0.000	1	109.4779	0.226	54	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.8260	0.075	2	109.4779	0.226	54	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9622	0.093	4	109.4779	0.226	54	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3799	0.357	10	109.4779	0.226	54	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.6815	0.026	2	109.4779	0.226	54	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8030	0.085	2	109.4779	0.226	54	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.6270	0.017	2	109.4779	0.226	54	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	110.2780	2.118	2	109.4779	0.226	54	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3418	0.064	4	109.4779	0.226	54	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.5480	0.024	2	109.4779	0.226	54	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|Cr<9>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.6360	1.277	2	109.6360	1.631	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.4195	0.052	2	109.4171	1.702	20	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	112.4640	1.978	2	109.4171	1.702	20	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0700	0.071	4	109.4171	1.702	20	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0825	0.043	2	109.4171	1.702	20	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.4720	0.283	2	109.4171	1.702	20	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0855	0.045	4	109.4171	1.702	20	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	108.7113	1.483	4	109.4171	1.702	20	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.5950	0.013	2	109.5950	0.000	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.0760	0.000	1	109.1611	0.211	7	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.5315	0.019	2	109.1611	0.211	7	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,3|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.4480	0.034	2	109.1611	0.211	7	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5465	0.006	2	109.1611	0.211	7	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.7180	0.059	4	109.4765	0.117	32	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0623	0.588	4	109.4765	0.117	32	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.6365	0.140	11	109.4765	0.117	32	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3942	0.303	13	109.4765	0.117	32	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1230	0.000	1	109.1230	0.000	1	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]S[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,1|S<2>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]S[6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.3290	0.017	2	109.3290	0.000	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.4410	0.086	14	109.5446	0.375	24	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	110.4855	2.566	2	109.5446	0.375	24	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.4906	0.035	8	109.5446	0.375	24	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1645	0.013	2	109.1645	0.000	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|N<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9515	0.009	2	108.8585	0.012	4	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|N<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.7655	0.028	2	108.8585	0.012	4	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1755	0.008	2	109.1755	0.000	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>,3|O<2>}	H(C[6]C[6,6]C[6]H)	108.0560	0.021	2	108.0560	0.000	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2190	1.768	2	108.9847	0.215	22	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0593	0.156	4	108.9847	0.215	22	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.7560	0.047	2	108.9847	0.215	22	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8395	0.308	6	108.9847	0.215	22	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0550	0.250	8	108.9847	0.215	22	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2085	0.026	2	109.2959	0.082	8	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.9985	0.008	2	109.2959	0.082	8	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2475	0.006	2	109.2959	0.082	8	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.7290	0.006	2	109.2959	0.082	8	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.5750	1.766	2	108.5750	3.120	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6,6]HH)(H)2{2|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.4137	0.089	4	108.4137	0.008	4	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.5945	0.022	2	109.5945	0.000	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2080	0.123	3	109.0444	0.029	7	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9218	0.035	4	109.0444	0.029	7	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1790	0.524	4	109.1790	0.274	4	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.9663	0.046	4	108.9663	0.002	4	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	107.4925	0.036	2	107.8151	0.090	7	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	107.9442	0.248	5	107.8151	0.090	7	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.3100	0.007	2	109.2903	0.001	4	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.2705	0.012	2	109.2903	0.001	4	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.8093	0.045	4	109.0508	0.098	36	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1597	0.347	3	109.0508	0.098	36	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.0274	0.254	14	109.0508	0.098	36	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.1151	0.380	15	109.0508	0.098	36	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6]C[6,6]C[6]H)	111.3480	0.231	2	111.3480	0.053	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1405	0.194	4	109.7227	0.472	20	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0860	0.050	4	109.7227	0.472	20	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	110.1290	0.594	12	109.7227	0.472	20	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.5866	0.200	10	109.5866	0.040	10	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.1490	0.000	1	109.5281	0.445	33	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	111.5080	1.121	2	109.5281	0.445	33	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4810	0.000	1	109.5281	0.445	33	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.8580	0.142	4	109.5281	0.445	33	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.8835	0.084	2	109.5281	0.445	33	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{6|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1047	0.330	14	109.5281	0.445	33	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{6|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.6629	0.070	7	109.5281	0.445	33	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{6|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2375	0.028	2	109.5281	0.445	33	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.9090	0.000	1	109.9090	0.000	1	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,3|O<2>}	H(C[6]C[6,6]C[6]H)	109.5355	0.023	2	109.5355	0.001	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]S[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]S[6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,1|S<2>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1140	0.021	2	109.1140	0.000	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.7452	0.198	4	108.7452	0.039	4	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.8650	0.101	13	109.0571	0.294	22	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	110.7105	0.018	2	109.0571	0.294	22	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9416	0.041	7	109.0571	0.294	22	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9465	0.009	2	108.9465	0.000	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	107.7390	0.014	2	107.7390	0.000	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4430	0.004	2	109.2687	0.047	13	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.0760	0.006	2	109.2687	0.047	13	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2728	0.231	9	109.2687	0.047	13	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]N[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6]N[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]N[6])(C[6]C[6,6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6]N[6])(C[6]C[6,6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	108.8761	0.409	8	108.8761	0.167	8	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.7700	0.000	1	108.7700	0.000	1	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.5040	0.035	2	109.5040	0.001	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2{2|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.5330	0.047	2	109.5330	0.002	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0400	0.210	8	109.1245	0.044	12	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2495	0.008	2	109.1245	0.044	12	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3375	0.019	2	109.1245	0.044	12	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2{2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.7540	0.069	2	109.7540	0.005	2	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.3077	0.185	3	109.3077	0.034	3	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[3x6]N[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[3x6]N[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,5|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5542	0.125	4	109.5542	0.016	4	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[5,6,6]C[6]O)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[5,6,6]C[6]O)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6,6]C[6]H)	108.6430	0.000	1	108.6430	0.000	1	109.1859	0.392	2788	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)(O){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.0460	0.180	4	108.0460	0.032	4	108.0460	0.032	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6,6]C[6]3)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	C[6](C[6]C[6,6]HH)(C[6,6]C[6]3)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9930	0.044	2	109.3286	1.385	5	109.3131	0.924	7	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6,6]C[6]3)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{3|C<4>,4|C<3>}	C[6](C[6]C[6,6]HH)(C[6,6]C[6]3)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.5523	1.606	3	109.3286	1.385	5	109.3131	0.924	7	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6,6]C[6]3)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{2|C<4>,5|C<3>}	C[6](C[6]C[6,6]HH)(C[6,6]C[6]3)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2745	0.012	2	109.2745	0.000	2	109.3131	0.924	7	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:Br-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Br2)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Br)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Br2)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Br)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5600	0.023	2	109.5600	0.001	2	109.5600	0.001	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(Br)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(Br)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1520	0.000	1	109.1520	0.000	1	109.4928	0.168	13	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.6745	0.088	2	109.7545	0.011	4	109.4928	0.168	13	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Br)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.8345	0.022	2	109.7545	0.011	4	109.4928	0.168	13	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]BrH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]BrH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Br)(H){1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.4057	0.552	6	109.4045	0.218	8	109.4928	0.168	13	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]BrH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]BrH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Br)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.4010	0.014	2	109.4045	0.218	8	109.4928	0.168	13	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]ClH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(Cl)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]ClH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(Cl)(H){4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8800	0.133	3	108.8800	0.018	3	109.3169	1.456	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6]ClH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Cl)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6]ClH)(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Cl)(H){1|Cl<1>,1|C<3>,1|C<4>}	H(C[6]C[6,6]C[6]H)	109.7460	0.010	2	109.7460	0.000	2	109.3169	1.456	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]ClH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(Cl)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]ClH)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.9990	0.023	2	109.9990	0.001	2	109.3169	1.456	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]ClH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]ClH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.8025	0.106	4	109.8025	0.011	4	109.3169	1.456	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H){1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.7760	2.508	5	108.7760	6.291	5	109.3169	1.456	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]ClH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]ClH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2920	0.462	6	109.2920	0.213	6	109.3169	1.456	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]FH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(F)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]FH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(F)(H){5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2055	0.023	2	109.2055	0.001	2	109.3116	0.028	7	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]FH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(F)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]FH)(H)2{3|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(F)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2695	0.066	2	109.2695	0.004	2	109.3116	0.028	7	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]FH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(F)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]FH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(F)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2780	0.018	2	109.2780	0.000	2	109.3116	0.028	7	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]FH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(F)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]FH)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(F)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	H(C[6]C[6,6]C[6]H)	109.6750	0.000	1	109.6750	0.000	1	109.3116	0.028	7	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[3,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[3,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|B<4>,1|B<5>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.3991	0.289	7	108.3991	0.084	7	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|H<2>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4473	0.122	13	108.4629	0.193	115	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.5313	0.632	43	108.4629	0.193	115	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4414	0.284	45	108.4629	0.193	115	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|S<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.2376	0.346	8	108.4629	0.193	115	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|S<3>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4600	0.020	2	108.4629	0.193	115	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4728	0.064	4	108.4629	0.193	115	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[4,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[4,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4616	0.156	8	108.4616	0.024	8	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[4a,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[4a,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4244	0.065	8	108.4244	0.004	8	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4560	0.208	32	108.4367	0.074	52	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4390	0.136	5	108.4367	0.074	52	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4273	0.188	7	108.4367	0.074	52	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.3664	0.543	8	108.4367	0.074	52	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[5a,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[5a,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4348	0.135	6	108.4321	0.021	48	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[5a,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[5a,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4317	0.149	42	108.4321	0.021	48	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6,6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6,6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4141	0.157	8	108.4141	0.025	8	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Al<6>,2|C<4>,2|H<2>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<5>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.2204	0.761	8	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Al<7>,2|C<4>,2|H<2>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<5>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4779	0.101	8	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.3830	0.304	7	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.5840	0.171	3	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|I<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9193	0.835	8	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.5193	0.270	39	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.6703	0.325	90	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Eu<12>,1|C<4>,1|C<5>,2|H<2>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|Eu<12>,1|B<5>,1|H<1>,1|H<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.3387	0.076	3	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Eu<12>,2|C<4>,2|H<2>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<5>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.2357	0.487	6	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ge<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.2826	0.123	7	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Mn<7>,2|C<4>,2|H<2>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<5>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4743	0.145	6	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9900	0.025	7	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4390	0.066	22	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4374	0.161	8	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.6097	0.630	53	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4691	0.102	7	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.3734	0.170	22	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4579	0.156	14	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4690	0.229	100	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4948	0.130	5	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	107.6905	0.309	4	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4556	0.104	14	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|P<4>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4440	0.138	7	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ra<20>,1|C<4>,1|C<5>,2|H<2>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|Ra<20>,1|B<5>,1|H<1>,1|H<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.5317	0.177	7	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Rh<7>,1|H<2>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<5>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.5271	0.141	7	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ru<7>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4076	0.104	15	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ru<9>,1|C<5>,1|H<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<5>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4367	0.115	7	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|S<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4442	0.209	8	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|S<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4432	0.085	8	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Sc<13>,2|C<4>,2|H<2>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<5>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.6767	0.321	13	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Si<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0493	0.065	8	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Th<12>,2|C<4>,2|H<2>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<5>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4588	0.067	6	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ti<10>,1|H<2>,1|O<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<5>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.3194	0.235	7	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ti<10>,2|C<4>,2|H<2>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<5>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4324	0.215	8	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ti<11>,2|C<4>,2|H<2>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<5>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.3885	1.508	12	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ti<12>,1|C<4>,1|C<5>,2|H<2>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|Ti<12>,1|B<5>,1|H<1>,1|H<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.5005	0.124	11	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ti<12>,2|C<4>,2|H<2>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<5>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4108	0.105	58	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ti<13>,1|C<4>,1|C<5>,2|H<2>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|Ti<13>,1|B<5>,1|H<1>,1|H<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.4249	0.108	7	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ti<13>,2|C<4>,2|H<2>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<5>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4371	0.141	15	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Y<13>,2|C<4>,2|H<2>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<5>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.3660	0.214	8	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Zr<14>,1|C<4>,1|C<5>,2|H<2>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|Zr<14>,1|B<5>,1|H<1>,1|H<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.5258	0.197	4	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Zr<14>,2|C<4>,2|H<2>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<5>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4390	0.136	31	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.1934	1.548	8	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,3|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8930	0.031	2	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4215	0.117	2	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,1|H<1>,1|H<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.4699	0.195	7	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4098	0.211	56	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.2887	0.658	49	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4920	0.039	8	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|B<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.6404	0.283	107	108.4980	0.163	927	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.5815	0.013	2	109.5815	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2075	0.011	2	109.2300	0.001	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2525	0.018	2	109.2300	0.001	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8520	0.020	2	108.6685	0.147	11	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.4854	0.353	7	108.6685	0.147	11	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1255	0.039	2	108.6685	0.147	11	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.9315	0.036	2	109.9315	0.001	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]O)(C[6]C[6]HH)(H)2{3|C<3>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.4870	0.040	2	109.4870	0.002	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]CO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,5|C<4>}	C[6](C[6]C[3,6]CO)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2720	0.055	2	109.2720	0.003	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.5045	0.032	2	108.5045	0.001	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]2H)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6]2H)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9300	0.047	2	108.9300	0.002	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.3995	0.033	2	108.6425	0.079	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8855	0.016	2	108.6425	0.079	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1580	0.110	3	109.1580	0.012	3	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]O[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]O[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0060	0.016	2	109.0060	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	108.3565	2.288	4	108.3565	5.234	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	110.0185	0.900	2	110.0185	0.810	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.9790	0.025	2	108.9790	0.001	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8480	0.000	1	108.8819	0.025	48	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9222	0.077	4	108.8819	0.025	48	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8826	0.190	30	108.8819	0.025	48	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8705	0.088	13	108.8819	0.025	48	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9507	0.097	16	108.9437	0.008	23	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9880	0.022	3	108.9437	0.008	23	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8820	0.052	4	108.9437	0.008	23	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]N[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{2|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[3,6]N[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.7445	0.045	2	109.7445	0.002	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.4462	0.035	5	109.2303	0.067	9	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9605	0.053	4	109.2303	0.067	9	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0443	0.115	3	109.0443	0.013	3	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3280	0.000	1	109.3280	0.000	1	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|N<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.2490	0.000	1	109.4333	0.024	24	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|N<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.3890	0.014	2	109.4333	0.024	24	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|N<4>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1560	0.000	1	109.4333	0.024	24	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|N<4>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2965	0.005	2	109.4333	0.024	24	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|N<4>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.6070	0.047	2	109.4333	0.024	24	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|N<4>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.5657	0.057	4	109.4333	0.024	24	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.1620	0.008	2	109.4333	0.024	24	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.4823	0.092	10	109.4333	0.024	24	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[6](C[6]N[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.6150	0.006	2	109.6150	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]CC)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[3x6]CC)(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8875	0.016	2	108.8875	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,5|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8265	0.023	2	108.7963	0.008	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	108.6670	0.000	1	108.7963	0.008	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8650	0.000	1	108.7963	0.008	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2145	0.013	2	109.2145	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.9290	1.523	2	108.9290	2.320	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1185	0.022	2	109.0613	0.023	9	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9805	0.006	2	109.0613	0.023	9	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.1723	0.025	3	109.0613	0.023	9	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	108.7120	0.000	1	109.0613	0.023	9	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1250	0.000	1	109.0613	0.023	9	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9900	0.013	2	108.9032	0.010	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8165	0.033	2	108.9032	0.010	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.5365	0.037	2	109.3587	0.244	36	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{4|C<4>}	H(C[6]C[6,6]C[6]H)	109.4157	0.682	18	109.3587	0.244	36	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0955	0.029	4	109.3587	0.244	36	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.4878	0.021	4	109.3587	0.244	36	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{4|C<4>}	H(C[6]C[6,6]C[6]H)	109.4105	0.012	2	109.3587	0.244	36	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1735	0.020	4	109.3587	0.244	36	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2545	0.008	2	109.3587	0.244	36	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.2703	0.336	4	108.9128	0.174	10	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8085	0.006	2	108.9128	0.174	10	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.3255	0.018	2	108.9128	0.174	10	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8895	0.008	2	108.9128	0.174	10	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]N[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[6](C[6]C[3,6]N[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.5680	0.020	2	109.5680	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HS)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6](C[6]C[3x6]HS)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0930	0.701	2	109.0930	0.492	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.9125	0.008	2	109.7816	0.017	11	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.6265	0.032	2	109.7816	0.017	11	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|Cr<9>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|Cr<9>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.7886	0.120	7	109.7816	0.017	11	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CN)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]CN)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6845	1.146	6	108.6845	1.312	6	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|Cr<9>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2{1|Cr<9>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.6581	0.094	8	109.5344	0.035	16	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2662	0.076	4	109.5344	0.035	16	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.5550	0.109	4	109.5344	0.035	16	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3135	0.040	2	109.4231	0.101	51	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.5658	0.083	32	109.4231	0.101	51	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1674	0.436	17	109.4231	0.101	51	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1155	0.059	2	109.1730	0.031	8	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0667	0.064	4	109.1730	0.031	8	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4430	0.051	2	109.1730	0.031	8	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.9090	0.000	1	109.4198	0.044	26	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|N<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9525	0.011	2	109.4198	0.044	26	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|N<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.4185	0.098	2	109.4198	0.044	26	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|N<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.5537	0.256	3	109.4198	0.044	26	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.3400	0.078	2	109.4198	0.044	26	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.4211	0.112	13	109.4198	0.044	26	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.3860	0.008	2	109.4198	0.044	26	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.6760	0.000	1	109.4198	0.044	26	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2315	0.011	2	109.1947	0.167	89	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.5040	0.037	2	109.1947	0.167	89	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9784	0.062	5	109.1947	0.167	89	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2460	0.013	2	109.1947	0.167	89	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1938	0.212	32	109.1947	0.167	89	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.3135	0.037	2	109.1947	0.167	89	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.5446	0.176	8	109.1947	0.167	89	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|N<3>,3|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.6010	0.000	1	109.1947	0.167	89	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.4020	0.052	2	109.1947	0.167	89	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1440	0.051	2	109.1947	0.167	89	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6,6]C[6]H)	109.6865	0.037	2	109.1947	0.167	89	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,5|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.4207	0.100	11	109.1947	0.167	89	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2115	0.115	2	109.1947	0.167	89	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9570	0.202	7	109.1947	0.167	89	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	110.7025	0.545	2	109.1947	0.167	89	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1445	1.501	2	109.1947	0.167	89	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)2(H)2{1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1595	0.029	2	109.1947	0.167	89	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1533	0.152	3	109.1947	0.167	89	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]N[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.5160	0.000	1	109.5160	0.000	1	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]N)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]N)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1140	0.024	2	109.1140	0.001	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]N)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]N)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<2>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.1645	0.026	2	109.1645	0.001	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|N<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8815	0.008	2	109.0955	0.061	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.3095	0.005	2	109.0955	0.061	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]H)	108.9965	0.531	2	108.6585	0.336	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]H)	108.3205	0.518	2	108.6585	0.336	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2500	0.010	2	109.2500	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2{6|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	110.4970	0.617	2	110.4970	0.380	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.4490	0.117	4	109.4490	0.014	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.2290	0.071	4	109.6668	0.138	11	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.9170	0.163	7	109.6668	0.138	11	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]O[6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.3375	0.059	2	109.3375	0.003	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[4,3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4,3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	110.3485	0.009	2	110.3485	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9272	0.065	5	108.9272	0.004	5	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5005	0.047	2	109.5005	0.002	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[4x6]C[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4x6]C[6]2)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.6388	0.265	5	108.6388	0.070	5	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[4x6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5x6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5x6]HO)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.5170	1.942	2	109.5170	3.770	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	112.7520	0.641	2	112.7520	0.410	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.8845	0.005	2	109.6720	0.067	10	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.4560	0.004	2	109.6720	0.067	10	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.6732	0.289	6	109.6720	0.067	10	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,3x6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,5,3x6]HO)(C[6]C[6,6]HH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0076	0.170	8	109.0076	0.029	8	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.4940	0.000	1	108.4940	0.000	1	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6830	0.010	2	108.6830	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,3x6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,5,3x6]HO)(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.4129	0.159	11	109.4129	0.025	11	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,5,3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,3x6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	C[6](C[6]N[5,6,6]HH)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.8545	0.012	2	108.8545	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	110.2750	0.330	2	110.2750	0.109	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.4635	0.006	2	109.5286	0.549	12	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2850	0.338	4	109.5286	0.549	12	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.6983	0.465	4	109.5286	0.549	12	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.7415	2.143	2	109.5286	0.549	12	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6745	0.133	6	108.7138	0.049	41	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6748	0.141	33	108.7138	0.049	41	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2{4|C<4>}	H(C[6]C[6,6]C[6]H)	109.4745	0.008	2	108.7138	0.049	41	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|N<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HO)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7265	0.022	2	108.7265	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1370	0.000	1	109.1370	0.000	1	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1010	0.020	2	109.1010	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,5,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.0620	0.037	2	109.0620	0.001	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.5810	0.075	2	108.5810	0.006	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[4x6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[4x6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.5250	0.000	1	109.5250	0.000	1	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1857	0.043	4	109.2840	0.017	8	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.4765	0.053	2	109.2840	0.017	8	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.2880	0.007	2	109.2840	0.017	8	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	110.0040	0.079	2	110.0040	0.006	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5a,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[5a,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.4105	0.035	2	109.4105	0.001	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2170	0.023	2	109.2170	0.001	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.4385	0.420	6	109.3371	0.182	18	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.6495	0.005	2	109.3371	0.182	18	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.3314	0.421	8	109.3371	0.182	18	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.7430	0.006	2	109.3371	0.182	18	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8415	0.067	2	108.8415	0.005	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0010	0.000	1	109.0010	0.000	1	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8740	0.004	2	108.8740	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9647	0.079	4	108.9647	0.006	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HS)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|S<2>,6|C<4>}	C[6](C[6]C[5,6]HS)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.2620	0.011	2	109.2620	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.5160	0.023	2	109.5160	0.001	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.7030	0.000	1	108.7030	0.000	1	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]HH)(H)2{3|C<3>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.3475	0.689	2	109.3475	0.475	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6a]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6a]C)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.7820	0.006	2	108.7820	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2969	0.140	7	109.3014	0.042	15	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3054	0.259	8	109.3014	0.042	15	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1913	0.218	11	109.2443	0.030	21	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	109.3027	0.084	10	109.2443	0.030	21	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.8980	0.024	2	108.8980	0.001	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6]C[5,6]CO)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.5870	0.006	2	108.5870	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6855	0.015	2	109.1586	3.312	8	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.0670	0.021	2	109.1586	3.312	8	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	110.0355	0.940	2	109.1586	3.312	8	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8465	4.484	2	109.1586	3.312	8	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.3880	0.000	1	108.3880	0.000	1	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.4950	0.000	1	108.4950	0.000	1	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8750	0.165	6	108.8750	0.027	6	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8425	0.053	4	108.5568	0.172	17	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|N<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0210	0.000	1	108.5568	0.172	17	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.7905	0.016	2	108.5568	0.172	17	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2{4|C<4>}	H(C[6]C[6,6]C[6]H)	108.3494	0.430	10	108.5568	0.172	17	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6725	0.011	4	108.6725	0.000	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.6745	0.015	2	109.6745	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.6920	0.000	1	109.6920	0.000	1	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.3765	0.039	2	109.1602	0.377	6	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.5520	0.119	4	109.1602	0.377	6	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[5,6]CO)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.7265	0.015	2	109.4333	0.124	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[5,6]CO)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1400	0.170	2	109.4333	0.124	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.6955	0.032	2	109.3326	0.106	14	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.6350	0.054	2	109.3326	0.106	14	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1744	0.124	8	109.3326	0.106	14	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7420	0.000	1	109.3326	0.106	14	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.8580	0.000	1	109.3326	0.106	14	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.5040	0.016	2	109.3755	0.022	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.2470	0.014	2	109.3755	0.022	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0980	0.033	2	109.6752	0.974	27	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6,6]C[6]H)	110.4216	1.077	8	109.6752	0.974	27	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8000	0.031	2	109.6752	0.974	27	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1700	0.025	2	109.6752	0.974	27	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	110.4290	1.753	3	109.6752	0.974	27	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5320	0.020	2	109.6752	0.974	27	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9845	0.005	2	109.6752	0.974	27	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.1670	0.004	2	109.6752	0.974	27	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3120	0.007	2	109.6752	0.974	27	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2215	0.045	2	109.6752	0.974	27	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[5,6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[5,6]CH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	110.0520	0.010	2	110.0520	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[5,6]CO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[6,6]HH)(C[6]N[5,6]CO)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.6795	0.064	4	109.6795	0.004	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6211	0.122	8	108.6211	0.015	8	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.9145	0.055	4	109.9145	0.003	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3317	0.032	4	109.3317	0.001	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2{1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.6850	0.055	2	109.2585	0.122	6	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2{1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0452	0.141	4	109.2585	0.122	6	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]N[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]N[5,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.0130	0.023	2	109.0130	0.001	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.5940	0.282	6	108.4087	0.140	10	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<4>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.1308	0.338	4	108.4087	0.140	10	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]O[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]O[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3130	0.159	4	109.3130	0.025	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]O[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)2(H)2{2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0603	0.028	3	109.0603	0.001	3	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,5|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.9687	0.098	11	110.0159	0.011	20	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,5|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	110.0734	0.084	9	110.0159	0.011	20	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.6770	0.006	2	109.6770	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]O[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]O[6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.0660	0.133	2	109.0660	0.018	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]BrC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,1|O<2>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]BrC)(H)2{1|Br<1>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0520	0.017	2	109.0520	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	108.6910	0.252	2	108.9679	0.049	10	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9140	0.031	4	108.9679	0.049	10	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.0385	0.009	2	108.9679	0.049	10	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2820	0.057	2	108.9679	0.049	10	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2879	0.072	14	109.1495	0.021	53	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8920	0.110	3	109.1495	0.021	53	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2488	0.159	8	109.1495	0.021	53	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0180	0.054	2	109.1495	0.021	53	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2240	0.020	2	109.1495	0.021	53	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0727	0.054	24	109.1495	0.021	53	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3107	0.106	4	108.9827	0.133	74	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9271	0.923	9	108.9827	0.133	74	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0387	0.047	6	108.9827	0.133	74	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1395	0.023	2	108.9827	0.133	74	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0100	0.179	12	108.9827	0.133	74	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	108.7735	0.310	4	108.9827	0.133	74	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2355	0.138	4	108.9827	0.133	74	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0830	0.000	1	108.9827	0.133	74	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8948	0.073	4	108.9827	0.133	74	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8139	0.303	9	108.9827	0.133	74	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9650	0.023	2	108.9827	0.133	74	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9736	0.077	17	108.9827	0.133	74	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9521	0.178	10	108.9497	0.026	12	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9375	0.030	2	108.9497	0.026	12	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<2>}	H(C[6]C[6,6]C[6]H)	109.6850	0.000	1	109.6993	0.002	3	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.7065	0.053	2	109.6993	0.002	3	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.4670	0.000	1	109.5431	0.029	18	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5778	0.177	14	109.5431	0.029	18	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4370	0.031	2	109.5431	0.029	18	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3460	0.000	1	109.5431	0.029	18	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.6950	0.025	2	109.3486	0.388	19	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.4922	0.108	5	109.3486	0.388	19	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9430	0.007	2	109.3486	0.388	19	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.6385	2.162	2	109.3486	0.388	19	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.7150	0.000	1	109.3486	0.388	19	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4465	0.026	2	109.3486	0.388	19	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|S<2>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5090	0.014	2	109.3486	0.388	19	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.8240	0.000	1	109.3486	0.388	19	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0795	0.011	2	109.3486	0.388	19	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.5850	0.008	2	109.5850	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	107.6540	2.919	2	107.6540	8.520	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	110.1325	2.662	2	110.1325	7.088	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4882	0.101	4	108.6938	0.052	17	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.5615	0.015	4	108.6938	0.052	17	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.6887	0.050	4	108.6938	0.052	17	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0597	0.070	4	108.6938	0.052	17	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.6010	0.000	1	108.6938	0.052	17	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.7950	1.638	2	109.7950	2.682	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,6|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.4687	0.036	3	108.4687	0.001	3	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|O<2>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.3335	0.349	2	109.0503	0.067	8	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9900	0.199	4	109.0503	0.067	8	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8875	0.016	2	109.0503	0.067	8	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CO)(H)2{3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1035	0.006	2	109.1035	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0215	0.542	2	109.4421	0.281	8	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	110.1370	0.523	2	109.4421	0.281	8	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3050	0.031	4	109.4421	0.281	8	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.7120	0.057	2	109.7120	0.003	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.1000	0.094	3	109.1000	0.009	3	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.3170	0.030	4	109.3170	0.001	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.3265	0.039	2	109.3265	0.002	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.3950	0.013	2	109.3950	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6,6]N[5a,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6,6]N[5a,6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|S<2>}	H(C[6]C[6,6]C[6]H)	110.0675	0.009	2	110.0675	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.6410	0.021	2	109.6410	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6,6]O[6]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.6085	0.009	2	109.6085	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.3552	0.043	4	108.3552	0.002	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.3115	0.016	2	109.3115	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|S<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.5605	0.035	2	108.5605	0.001	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.7030	0.000	1	109.7030	0.000	1	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6,6]C[6]H)	109.4775	0.028	2	109.4775	0.001	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0805	0.016	2	109.5266	0.717	8	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.7300	1.177	4	109.5266	0.717	8	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.5660	0.544	2	109.5266	0.717	8	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6]N[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9588	0.052	4	108.9588	0.003	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6]O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	110.7278	1.168	4	110.7278	1.363	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.3060	2.027	2	109.3060	4.107	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.6405	0.011	2	109.4787	0.018	6	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3978	0.067	4	109.4787	0.018	6	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6,6a]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6,6a]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.3180	0.010	2	109.2138	0.018	5	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6,6a]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6,6a]C[5,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.1443	0.133	3	109.2138	0.018	5	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6,6a]C[6,6a]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6,6a]C[6,6a]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.9273	0.150	6	108.9273	0.022	6	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6,6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]CC)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6,6a]C[6]C)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CC)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.3935	0.023	2	109.3935	0.001	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6a]CH)(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.7585	0.028	2	109.7585	0.001	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.5665	0.042	2	109.5665	0.002	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9333	0.089	4	108.9333	0.008	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x4]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6]C[3x4]C[6]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.4355	2.765	2	109.4355	7.648	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6]C[5]C[6]C)(C[6]C[6,6]HH)(H)2{1|Re<8>,1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1245	0.062	2	109.1245	0.004	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]2H)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]2H)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7670	0.053	4	108.7670	0.003	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]BH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]BH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.5974	0.102	5	108.5974	0.010	5	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]Br2)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|Br<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]Br2)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8095	0.012	2	108.8095	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9225	0.015	2	109.0620	0.014	6	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Br<1>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0905	0.070	2	109.0620	0.014	6	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Br<1>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1730	0.047	2	109.0620	0.014	6	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8674	0.033	5	108.9320	0.015	12	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0340	0.000	1	108.9320	0.015	12	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9688	0.159	6	108.9320	0.015	12	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	108.7310	0.000	1	108.8445	0.037	14	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8760	0.000	1	108.8445	0.037	14	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.6347	0.144	4	108.8445	0.037	14	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1630	0.010	2	108.8445	0.037	14	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9250	0.016	2	108.8445	0.037	14	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8555	0.053	2	108.8445	0.037	14	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8950	0.051	2	108.8445	0.037	14	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8010	0.228	4	109.0896	0.509	24	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0707	0.087	7	109.0896	0.509	24	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	111.0750	1.574	2	109.0896	0.509	24	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8277	0.134	9	109.0896	0.509	24	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9260	0.054	2	109.0896	0.509	24	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]ClC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|H<1>,2|C<3>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]ClC)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0190	0.010	2	109.0190	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.6489	0.101	14	108.6968	0.017	18	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8642	0.059	4	108.6968	0.017	18	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>,3|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9550	0.027	2	108.9105	0.619	273	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0085	0.008	2	108.9105	0.619	273	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9788	0.020	4	108.9105	0.619	273	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.6240	0.063	6	108.9105	0.619	273	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9805	0.162	10	108.9105	0.619	273	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9070	0.076	2	108.9105	0.619	273	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8490	0.314	7	108.9105	0.619	273	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7515	0.019	2	108.9105	0.619	273	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9185	0.279	20	108.9105	0.619	273	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7455	0.030	2	108.9105	0.619	273	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9778	0.052	4	108.9105	0.619	273	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9096	0.120	26	108.9105	0.619	273	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1203	0.099	6	108.9105	0.619	273	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Cr<9>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9605	12.081	2	108.9105	0.619	273	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.7054	0.058	5	108.9105	0.619	273	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9647	0.176	4	108.9105	0.619	273	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8688	0.077	6	108.9105	0.619	273	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0628	0.138	11	108.9105	0.619	273	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.3130	0.426	2	108.9105	0.619	273	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.7958	0.106	48	108.9105	0.619	273	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0375	0.633	6	108.9105	0.619	273	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0608	0.858	16	108.9105	0.619	273	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9193	0.181	80	108.9105	0.619	273	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HI)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|I<1>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HI)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0770	0.032	4	109.0770	0.001	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.7183	0.106	6	108.6738	0.017	30	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.7323	0.123	6	108.6738	0.017	30	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.5427	0.070	4	108.6738	0.017	30	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.5580	0.008	2	108.6738	0.017	30	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|N<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7450	0.025	2	108.6738	0.017	30	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8040	0.044	4	108.6738	0.017	30	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|N<4>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.4995	0.011	4	108.6738	0.017	30	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7600	0.013	2	108.6738	0.017	30	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.7650	0.030	2	108.7097	0.325	984	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.7315	0.084	4	108.7097	0.325	984	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.5960	0.037	2	108.7097	0.325	984	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.0113	0.125	6	108.7097	0.325	984	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8680	0.023	4	108.7097	0.325	984	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.6382	0.249	231	108.7097	0.325	984	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1566	0.256	16	108.7097	0.325	984	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6790	0.000	1	108.7097	0.325	984	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8613	0.017	6	108.7097	0.325	984	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9467	0.142	4	108.7097	0.325	984	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8591	0.063	11	108.7097	0.325	984	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0180	0.309	59	108.7097	0.325	984	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8287	0.160	7	108.7097	0.325	984	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0780	0.045	2	108.7097	0.325	984	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9295	0.157	8	108.7097	0.325	984	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>,3|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9200	0.095	2	108.7097	0.325	984	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0440	0.023	2	108.7097	0.325	984	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.6370	0.076	2	108.7097	0.325	984	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6437	0.274	4	108.7097	0.325	984	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.0280	0.049	2	108.7097	0.325	984	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.3090	0.201	2	108.7097	0.325	984	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.5805	0.030	2	108.7097	0.325	984	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0324	0.116	8	108.7097	0.325	984	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|Br<1>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9800	0.017	2	108.7097	0.325	984	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.7881	0.273	11	108.7097	0.325	984	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|Cl<1>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7775	0.286	6	108.7097	0.325	984	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7515	0.032	2	108.7097	0.325	984	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7915	0.234	10	108.7097	0.325	984	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.6318	1.411	5	108.7097	0.325	984	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.5432	0.814	371	108.7097	0.325	984	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9163	0.230	152	108.7097	0.325	984	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8443	0.217	4	108.7097	0.325	984	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8355	0.302	32	108.7097	0.325	984	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9955	0.011	2	108.7097	0.325	984	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]NN)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]NN)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9100	0.011	2	108.9100	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.8090	0.011	2	109.1835	0.112	13	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2516	0.318	11	109.1835	0.112	13	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]N[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.6852	0.039	4	108.7052	0.015	10	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|H<1>,3|C<4>}	C[6](C[6]C[6]N[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8865	0.127	2	108.7052	0.015	10	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6]N[5]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6345	0.092	4	108.7052	0.015	10	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.4570	0.015	4	108.4570	0.000	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8090	0.146	3	108.8090	0.021	3	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	C[6](C[6]C[3]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1290	0.130	7	109.1290	0.017	7	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[6]C[5]C[6]H)(C[6]C[6,6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5865	0.011	2	109.5865	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[6]C[5a]C[6]C)(C[6]C[6,6]HH)(H)2{1|N<2>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2180	0.045	4	109.2180	0.002	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.7950	0.259	6	109.1679	0.096	38	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0255	0.009	2	109.1679	0.096	38	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.4032	0.094	4	109.1679	0.096	38	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2824	0.271	18	109.1679	0.096	38	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0080	0.260	6	109.1679	0.096	38	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{3|C<3>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.4065	0.018	2	109.1679	0.096	38	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3165	0.005	2	109.1653	0.098	12	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.4910	0.000	1	109.1653	0.098	12	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8830	0.083	2	109.1653	0.098	12	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.4430	0.000	1	109.1653	0.098	12	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5010	0.038	2	109.1653	0.098	12	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1623	0.057	4	109.1653	0.098	12	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.6165	0.011	2	109.3756	0.091	12	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3274	0.310	10	109.3756	0.091	12	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.3360	0.072	3	109.1014	0.129	39	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>,3|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5565	0.025	2	109.1014	0.129	39	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2205	0.047	2	109.1014	0.129	39	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1970	0.000	1	109.1014	0.129	39	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8810	0.197	2	109.1014	0.129	39	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.6410	0.013	2	109.1014	0.129	39	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5585	0.067	2	109.1014	0.129	39	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.8334	0.387	8	109.1014	0.129	39	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.1785	0.022	2	109.1014	0.129	39	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3880	0.000	1	109.1014	0.129	39	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3120	0.008	2	109.1014	0.129	39	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|S<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.6460	0.023	2	109.1014	0.129	39	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0285	0.045	2	109.1014	0.129	39	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.0475	0.050	2	109.1014	0.129	39	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8520	0.048	2	109.1014	0.129	39	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.5595	0.040	2	109.1014	0.129	39	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>,3|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3660	0.016	2	109.1014	0.129	39	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.6170	0.011	2	109.0978	1.434	17	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.4580	0.111	6	109.0978	1.434	17	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6980	1.768	2	109.0978	1.434	17	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.5825	0.053	2	109.0978	1.434	17	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.4238	1.961	5	109.0978	1.434	17	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.6393	0.014	4	109.6393	0.000	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.6030	1.962	6	109.5127	2.696	10	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|O<2>,7|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.3773	1.278	4	109.5127	2.696	10	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.7270	0.020	2	109.7270	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.4235	0.006	2	109.4235	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.3590	0.037	2	109.2524	0.006	7	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{3|C<3>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.1890	0.020	2	109.2524	0.006	7	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{3|C<4>,4|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.2237	0.007	3	109.2524	0.006	7	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3865	0.053	2	109.1550	0.070	11	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2615	0.005	2	109.1550	0.070	11	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3305	0.005	2	109.1550	0.070	11	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9110	0.044	2	109.1550	0.070	11	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.5360	0.000	1	109.1550	0.070	11	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1950	0.008	2	109.1550	0.070	11	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2440	0.011	2	109.2440	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.3640	0.074	2	108.3640	0.005	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(H)2{2|C<4>,3|O<2>,6|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6,6]HH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8700	0.008	2	108.8700	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.6770	0.101	4	108.8142	0.040	10	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	108.7575	0.013	2	108.8142	0.040	10	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.1355	0.033	2	108.8142	0.040	10	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.6830	0.000	1	108.8142	0.040	10	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9650	0.000	1	108.8142	0.040	10	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.1430	0.034	2	109.1430	0.001	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1598	0.056	4	109.1598	0.003	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5]C[6]O)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[5]C[6]O)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.4225	0.019	2	109.4225	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6570	0.035	2	108.7158	0.151	6	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,2|O<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.7452	0.498	4	108.7158	0.151	6	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.6295	0.013	2	108.6295	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]2C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]2C)(H)2{1|C<3>,1|H<1>,1|N<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2585	0.022	2	109.2585	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]2H)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]2H)(H)2{3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9275	0.054	2	108.9275	0.003	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0835	0.021	2	109.0835	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1010	0.054	2	108.8356	0.261	137	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.7885	0.312	6	108.8356	0.261	137	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0885	0.706	2	108.8356	0.261	137	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.7575	0.025	2	108.8356	0.261	137	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1866	0.828	29	108.8356	0.261	137	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7481	0.283	23	108.8356	0.261	137	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.2070	0.004	2	108.8356	0.261	137	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.6490	0.000	1	108.8356	0.261	137	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	108.8365	0.035	2	108.8356	0.261	137	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.5810	0.115	32	108.8356	0.261	137	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	107.4685	1.317	2	108.8356	0.261	137	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.7572	0.243	13	108.8356	0.261	137	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7830	0.055	2	108.8356	0.261	137	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0160	0.080	9	108.8356	0.261	137	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9414	0.059	10	108.8356	0.261	137	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3290	0.051	2	108.9327	0.373	167	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0000	0.020	2	108.9327	0.373	167	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.9645	0.018	2	108.9327	0.373	167	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.5940	0.011	2	108.9327	0.373	167	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6912	0.058	5	108.9327	0.373	167	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7840	0.000	1	108.9327	0.373	167	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|S<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8970	1.281	2	108.9327	0.373	167	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0687	0.395	45	108.9327	0.373	167	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.7855	0.009	2	108.9327	0.373	167	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.5747	0.100	4	108.9327	0.373	167	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1034	0.076	9	108.9327	0.373	167	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8063	0.084	4	108.9327	0.373	167	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9787	0.022	4	108.9327	0.373	167	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9118	1.702	6	108.9327	0.373	167	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9310	0.082	7	108.9327	0.373	167	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9360	1.442	2	108.9327	0.373	167	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	108.9729	0.104	7	108.9327	0.373	167	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.6470	0.028	2	108.9327	0.373	167	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.4380	0.010	2	108.9327	0.373	167	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9160	0.038	2	108.9327	0.373	167	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1110	0.110	6	108.9327	0.373	167	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.1668	0.047	4	108.9327	0.373	167	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.7173	0.034	4	108.9327	0.373	167	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.0310	0.103	4	108.9327	0.373	167	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9665	0.090	12	108.9327	0.373	167	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0018	0.053	4	108.9327	0.373	167	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9518	0.341	6	108.9327	0.373	167	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	107.4107	3.519	3	108.9327	0.373	167	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8641	0.104	12	108.9327	0.373	167	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.8702	0.462	4	108.9612	0.148	6	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.1430	0.020	2	108.9612	0.148	6	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.4570	1.469	2	108.9846	0.369	215	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.5510	0.016	2	108.9846	0.369	215	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1395	0.033	2	108.9846	0.369	215	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.1580	0.020	2	108.9846	0.369	215	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.4672	0.049	6	108.9846	0.369	215	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9342	0.109	5	108.9846	0.369	215	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8216	0.167	8	108.9846	0.369	215	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	108.5700	0.028	2	108.9846	0.369	215	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9183	0.043	4	108.9846	0.369	215	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0273	0.017	6	108.9846	0.369	215	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8757	0.092	4	108.9846	0.369	215	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	110.8155	1.146	2	108.9846	0.369	215	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.2830	1.099	2	108.9846	0.369	215	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0193	1.994	3	108.9846	0.369	215	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9355	0.033	2	108.9846	0.369	215	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8256	0.059	9	108.9846	0.369	215	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9685	0.078	2	108.9846	0.369	215	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8030	0.000	1	108.9846	0.369	215	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.5485	0.006	2	108.9846	0.369	215	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1990	0.034	2	108.9846	0.369	215	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	111.6345	1.371	4	108.9846	0.369	215	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8265	0.091	10	108.9846	0.369	215	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7785	0.345	4	108.9846	0.369	215	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1695	0.854	15	108.9846	0.369	215	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.4690	0.020	2	108.9846	0.369	215	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.6870	0.990	2	108.9846	0.369	215	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.1835	0.012	2	108.9846	0.369	215	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8050	0.008	2	108.9846	0.369	215	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.5520	0.014	2	108.9846	0.369	215	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1260	0.014	2	108.9846	0.369	215	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0760	0.037	2	108.9846	0.369	215	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9867	0.026	3	108.9846	0.369	215	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9650	0.073	3	108.9846	0.369	215	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9315	0.011	2	108.9846	0.369	215	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0116	0.414	7	108.9846	0.369	215	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.1407	0.073	4	108.9846	0.369	215	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8600	0.209	4	108.9846	0.369	215	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9140	0.017	2	108.9846	0.369	215	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.0215	0.011	2	108.9846	0.369	215	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6000	0.093	2	108.9846	0.369	215	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.5831	0.076	8	108.9846	0.369	215	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.7590	0.004	2	108.9846	0.369	215	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0028	0.175	18	108.9846	0.369	215	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8503	0.246	6	108.9846	0.369	215	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9542	0.081	37	108.9846	0.369	215	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0460	0.085	2	109.0460	0.007	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7910	0.049	2	109.0929	1.971	59	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	111.1130	8.955	2	109.0929	1.971	59	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.5770	1.703	8	109.0929	1.971	59	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.6760	0.010	2	109.0929	1.971	59	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9810	0.024	2	109.0929	1.971	59	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8110	0.008	2	109.0929	1.971	59	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	108.7771	0.221	10	109.0929	1.971	59	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2353	0.029	3	109.0929	1.971	59	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2005	0.045	2	109.0929	1.971	59	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	108.7600	0.000	1	109.0929	1.971	59	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0970	0.007	2	109.0929	1.971	59	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2080	0.038	2	109.0929	1.971	59	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.0930	0.008	2	109.0929	1.971	59	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<4>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.4470	0.068	2	109.0929	1.971	59	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9345	0.009	2	109.0929	1.971	59	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9145	0.113	4	109.0929	1.971	59	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1435	0.016	2	109.0929	1.971	59	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9644	0.080	5	109.0929	1.971	59	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.7900	0.037	2	109.0929	1.971	59	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2895	0.005	2	109.0929	1.971	59	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]OO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]OO)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0360	0.044	2	109.0360	0.002	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8570	0.039	4	108.8570	0.002	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]N[6]CC)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.9913	1.301	4	109.9913	1.693	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.3115	1.474	4	109.1124	0.442	18	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8754	0.109	8	109.1124	0.442	18	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.3215	0.022	2	109.1124	0.442	18	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2827	0.181	4	109.1124	0.442	18	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.6155	4.385	2	110.0002	6.859	5	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	110.8690	2.338	2	110.0002	6.859	5	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|O<2>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0320	0.000	1	110.0002	6.859	5	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.2370	0.025	2	109.2370	0.001	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.2713	0.086	6	108.6199	0.163	21	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.3770	0.048	6	108.6199	0.163	21	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.1920	0.045	2	108.6199	0.163	21	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.9685	0.015	2	108.6199	0.163	21	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.2410	0.030	2	108.6199	0.163	21	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.5230	0.014	2	108.6199	0.163	21	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<2>,1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.2780	0.000	1	108.6199	0.163	21	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(H)2{1|Cr<9>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.6340	0.083	4	109.6340	0.007	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|F<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.3264	0.124	10	109.3264	0.015	10	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.4870	0.771	2	108.4870	0.594	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1080	0.007	2	109.1080	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.6650	0.010	2	109.5854	0.011	22	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.6987	0.197	3	109.5854	0.011	22	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.5560	0.078	17	109.5854	0.011	22	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]H)	110.3910	0.835	3	109.6139	0.525	10	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.3840	0.000	1	109.6139	0.525	10	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.0397	0.208	4	109.6139	0.525	10	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,1|S<2>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.7115	0.037	2	109.6139	0.525	10	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9942	0.122	6	109.0935	0.029	10	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2425	0.112	4	109.0935	0.029	10	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.4955	0.021	2	108.4955	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	111.4310	2.868	2	109.7604	4.382	5	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6467	0.017	3	109.7604	4.382	5	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]2C)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]2C)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1525	0.043	2	109.1525	0.002	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.4820	0.011	2	109.8537	1.315	24	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	111.5690	2.224	4	109.8537	1.315	24	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,7|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.4630	0.013	2	109.8537	1.315	24	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3293	0.024	4	109.8537	1.315	24	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.7895	0.187	4	109.8537	1.315	24	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3450	0.000	1	109.8537	1.315	24	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.0270	0.021	2	109.8537	1.315	24	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{8|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.6896	0.139	5	109.8537	1.315	24	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3087	0.121	3	109.3978	0.525	88	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.4235	0.025	2	109.3978	0.525	88	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3795	0.013	2	109.3978	0.525	88	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9463	2.216	4	109.3978	0.525	88	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0680	0.048	4	109.3978	0.525	88	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.7720	0.010	2	109.3978	0.525	88	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2210	0.000	1	109.3978	0.525	88	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4460	0.000	1	109.3978	0.525	88	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.4450	0.020	2	109.3978	0.525	88	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2305	0.026	2	109.3978	0.525	88	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2370	0.074	4	109.3978	0.525	88	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3274	0.170	22	109.3978	0.525	88	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.3960	0.017	2	109.3978	0.525	88	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.6570	0.684	4	109.3978	0.525	88	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2070	0.000	1	109.3978	0.525	88	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.6350	0.105	2	109.3978	0.525	88	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,1|S<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2970	0.027	2	109.3978	0.525	88	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.5257	0.086	3	109.3978	0.525	88	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2400	0.000	1	109.3978	0.525	88	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1706	0.147	5	109.3978	0.525	88	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5600	0.153	4	109.3978	0.525	88	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.7144	0.093	10	109.3978	0.525	88	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3970	0.000	2	109.3978	0.525	88	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2080	0.000	1	109.3978	0.525	88	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	110.0785	4.892	2	109.3978	0.525	88	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2995	0.085	6	109.4665	0.091	58	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|Cl<1>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1895	0.532	11	109.4665	0.091	58	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.6602	0.077	4	109.4665	0.091	58	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.5485	0.015	2	109.4665	0.091	58	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,7|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.4490	0.007	2	109.4665	0.091	58	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,7|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.5127	0.175	4	109.4665	0.091	58	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,7|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.5685	0.159	29	109.4665	0.091	58	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8985	0.110	6	108.8985	0.012	6	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1770	0.023	2	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.9450	0.004	2	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.2805	0.005	2	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.5415	0.016	2	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1870	0.000	1	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.8100	2.079	2	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3300	0.020	2	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.3070	0.013	2	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.5140	0.000	1	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|N<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1425	0.019	2	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0852	0.149	6	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4688	0.216	4	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	110.7135	0.091	2	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0300	0.016	2	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3283	0.868	3	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.7580	0.023	2	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.0300	0.051	4	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.7165	0.934	26	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2450	0.038	2	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.1325	0.342	2	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2596	0.205	7	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.6972	1.944	28	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.6440	0.389	2	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8125	0.151	2	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	111.8560	0.359	2	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.8010	0.763	6	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1347	0.234	4	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3235	0.036	2	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.3203	0.569	23	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5150	0.000	1	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.2043	0.073	10	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3675	0.071	2	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2490	0.117	6	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1460	0.030	2	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2175	0.008	2	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7100	1.638	2	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|N<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5450	0.222	2	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5145	0.012	2	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1227	0.283	3	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3555	0.026	2	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.0743	1.158	3	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	110.6305	1.095	2	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3735	1.155	6	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.1900	0.111	4	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0490	0.016	2	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4850	0.023	2	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2171	0.259	8	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.6078	0.099	6	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.2945	0.231	4	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|In<4>,1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8610	0.556	2	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ir<5>,1|P<4>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1774	0.205	5	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ir<6>,1|P<4>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	110.0740	0.040	2	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ir<7>,1|P<4>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2695	0.016	2	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	110.9365	0.983	4	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1805	0.019	2	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4682	0.696	8	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3487	0.312	17	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1328	0.285	14	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9150	0.319	3	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.5750	0.000	1	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1183	0.079	3	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0850	0.010	2	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3502	0.227	6	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1150	0.000	1	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|B<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0860	0.024	2	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.5593	0.098	10	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6,6]C[6]H)	109.4065	0.008	2	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.1855	0.008	2	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1246	0.578	11	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.4960	0.295	12	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8348	2.285	26	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4080	0.007	2	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.5435	0.021	2	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2820	0.011	2	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.4195	0.006	2	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2880	0.010	2	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|B<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.0685	0.012	2	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2565	0.009	2	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0847	0.468	47	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2445	2.315	4	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.6335	0.056	2	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0465	0.011	2	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4633	1.430	30	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1808	0.059	4	109.3421	0.977	458	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.5052	0.206	6	109.4430	0.044	8	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2565	0.025	2	109.4430	0.044	8	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3980	0.037	2	109.4013	0.127	32	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4363	0.050	4	109.4013	0.127	32	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.5035	0.005	2	109.4013	0.127	32	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.5267	0.019	4	109.4013	0.127	32	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.5653	0.113	6	109.4013	0.127	32	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>,3|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.3450	0.761	2	109.4013	0.127	32	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.6520	0.063	6	109.4013	0.127	32	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2015	0.046	2	109.4013	0.127	32	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9905	0.006	2	109.4013	0.127	32	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.4045	0.009	2	109.4013	0.127	32	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.8387	0.177	3	108.8762	0.031	11	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.0930	0.010	2	108.8762	0.031	11	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|S<2>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.9077	0.120	4	108.8762	0.031	11	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|N<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	108.6525	0.018	2	108.8762	0.031	11	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.7890	0.160	6	109.7890	0.026	6	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.8225	0.067	2	109.5186	0.176	23	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.6170	0.004	2	109.5186	0.176	23	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.2735	0.059	2	109.5186	0.176	23	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.7700	0.004	2	109.5186	0.176	23	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|P<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.3790	0.006	2	109.5186	0.176	23	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.7687	0.066	7	109.5186	0.176	23	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.7870	0.033	2	109.5186	0.176	23	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8120	0.504	4	109.5186	0.176	23	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.9630	0.016	2	109.9460	2.400	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|O<2>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6,6]C[6]H)	109.9290	2.683	2	109.9460	2.400	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6,6]C[6]H)	108.4530	4.144	2	109.4412	4.020	6	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.9352	0.027	4	109.4412	4.020	6	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.8300	0.074	2	109.4370	0.068	41	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.6820	0.030	2	109.4370	0.068	41	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|N<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.0565	0.015	2	109.4370	0.068	41	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.8430	0.075	2	109.4370	0.068	41	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.4557	0.209	29	109.4370	0.068	41	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.4695	0.061	4	109.4370	0.068	41	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	107.3560	2.029	2	108.8786	0.923	199	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7230	0.016	2	108.8786	0.923	199	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.7652	0.105	8	108.8786	0.923	199	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.3925	0.005	2	108.8786	0.923	199	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7540	0.027	5	108.8786	0.923	199	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.6976	0.096	57	108.8786	0.923	199	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.5565	0.757	4	108.8786	0.923	199	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.1140	0.017	2	108.8786	0.923	199	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1160	0.772	8	108.8786	0.923	199	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6,6]HH)2(H)2{2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.0600	0.090	4	108.8786	0.923	199	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1220	0.000	1	108.8786	0.923	199	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.5510	0.040	2	108.8786	0.923	199	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.6617	0.127	4	108.8786	0.923	199	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.6258	0.482	6	108.8786	0.923	199	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.7995	0.035	2	108.8786	0.923	199	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8517	1.965	12	108.8786	0.923	199	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|H<1>,1|N<2>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.2345	0.019	2	108.8786	0.923	199	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3430	0.024	2	108.8786	0.923	199	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1325	0.046	2	108.8786	0.923	199	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.5111	0.197	23	108.8786	0.923	199	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	110.0948	1.371	16	108.8786	0.923	199	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.0358	0.201	4	108.8786	0.923	199	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<1>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.0565	0.030	2	108.8786	0.923	199	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8720	0.102	4	108.8786	0.923	199	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.2813	0.036	3	108.8786	0.923	199	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.6185	0.045	2	108.8786	0.923	199	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.1280	0.028	2	108.8786	0.923	199	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1063	0.021	3	108.8786	0.923	199	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.2025	0.063	2	108.8786	0.923	199	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|Br<1>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	107.7415	7.380	2	108.8786	0.923	199	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2770	0.024	2	108.8786	0.923	199	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|P<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.1790	0.007	2	108.8786	0.923	199	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8554	0.254	5	108.8786	0.923	199	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9295	0.019	2	108.9295	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|S<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	107.5585	0.029	2	107.6095	0.020	6	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	107.6350	0.176	4	107.6095	0.020	6	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9517	0.045	3	108.9517	0.002	3	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[3a]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[3a]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2570	0.013	2	109.2570	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,6|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6180	0.000	1	108.6180	0.000	1	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.6910	0.027	2	108.6910	0.001	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0160	0.042	2	109.0160	0.002	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.4785	0.022	2	109.4785	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.6720	0.124	3	109.0487	0.187	82	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.7725	2.956	2	109.0487	0.187	82	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9253	0.091	4	109.0487	0.187	82	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.9315	0.008	2	109.0487	0.187	82	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1485	0.037	2	109.0487	0.187	82	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2225	0.040	2	109.0487	0.187	82	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9160	0.000	1	109.0487	0.187	82	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2140	0.031	2	109.0487	0.187	82	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.7475	0.030	2	109.0487	0.187	82	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9377	0.555	7	109.0487	0.187	82	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0255	0.022	2	109.0487	0.187	82	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9250	0.008	2	109.0487	0.187	82	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.7210	0.000	1	109.0487	0.187	82	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.1035	0.018	2	109.0487	0.187	82	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3940	0.016	2	109.0487	0.187	82	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2045	0.101	11	109.0487	0.187	82	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|S<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2777	0.058	4	109.0487	0.187	82	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9351	0.506	8	109.0487	0.187	82	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.0940	0.200	5	109.0487	0.187	82	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9880	0.000	1	109.0487	0.187	82	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1439	0.087	15	109.0487	0.187	82	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8240	0.004	2	109.0487	0.187	82	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1205	0.033	2	109.1205	0.001	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]P[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]P[6,6]HH)(H)2{1|O<2>,1|S<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7662	1.615	4	108.7662	2.609	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9675	0.131	4	109.0346	0.018	18	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0905	0.021	4	109.0346	0.018	18	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8942	0.111	4	109.0346	0.018	18	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2035	0.025	2	109.0346	0.018	18	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1017	0.103	4	109.0346	0.018	18	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<2>,1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.8135	0.042	2	108.8135	0.002	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]S)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]S)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9707	0.081	3	108.9707	0.007	3	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]S[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]S[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1890	0.094	8	109.1890	0.009	8	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]Si)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]Si)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.1723	0.307	6	109.1723	0.094	6	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.8035	0.021	2	109.8035	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]In[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]In[6]H)(C[6]C[6]HH)(H)2{2|Br<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|In<4>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.5805	0.354	2	108.5805	0.126	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	111.1525	0.260	2	110.3723	0.379	6	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.9822	0.015	4	110.3723	0.379	6	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.3865	0.035	2	109.3865	0.001	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8040	0.011	2	108.8040	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2585	0.045	4	109.5618	1.901	211	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.4269	0.158	21	109.5618	1.901	211	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7892	1.691	4	109.5618	1.901	211	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	110.4130	0.143	2	109.5618	1.901	211	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|Cu<4>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2851	0.949	10	109.5618	1.901	211	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|Cu<5>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3410	0.816	6	109.5618	1.901	211	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|Hg<4>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0173	0.173	4	109.5618	1.901	211	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|Li<4>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2472	0.271	27	109.5618	1.901	211	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|Ni<4>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2240	0.032	4	109.5618	1.901	211	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|Pd<4>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.9368	1.956	53	109.5618	1.901	211	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|Pd<5>,1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	114.2013	4.223	4	109.5618	1.901	211	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|Rh<6>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.7290	0.540	3	109.5618	1.901	211	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|Zn<4>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2135	0.208	13	109.5618	1.901	211	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.8255	1.381	4	109.5618	1.901	211	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	110.7760	1.416	2	109.5618	1.901	211	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2863	0.221	22	109.5618	1.901	211	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2550	0.006	2	109.5618	1.901	211	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1900	0.144	26	109.5618	1.901	211	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3113	0.738	4	109.3113	0.545	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.5545	0.030	2	108.5545	0.001	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.7140	0.086	4	109.5078	0.499	99	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|S<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.2040	0.010	2	109.5078	0.499	99	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4641	0.065	11	109.5078	0.499	99	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	107.8745	0.011	2	109.5078	0.499	99	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	110.1452	0.883	10	109.5078	0.499	99	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,1|S<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.6690	0.000	1	109.5078	0.499	99	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1211	0.496	11	109.5078	0.499	99	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2380	0.297	2	109.5078	0.499	99	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3485	0.057	2	109.5078	0.499	99	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	110.4158	0.250	4	109.5078	0.499	99	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.0755	0.046	2	109.5078	0.499	99	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	110.4919	1.139	8	109.5078	0.499	99	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5760	0.018	2	109.5078	0.499	99	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2640	0.097	8	109.5078	0.499	99	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1945	0.054	2	109.5078	0.499	99	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|O<2>,1|S<4>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3210	0.006	2	109.5078	0.499	99	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.6145	0.021	2	109.5078	0.499	99	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|P<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3325	0.009	2	109.5078	0.499	99	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2570	0.337	6	109.5078	0.499	99	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<2>}	H(C[6]C[6,6]C[6]H)	109.1190	0.008	2	109.5078	0.499	99	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5880	0.461	6	109.5078	0.499	99	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2849	0.066	8	109.5078	0.499	99	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	110.1258	1.851	6	110.1258	3.427	6	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|Cu<3>,1|N<4>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|Cu<3>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9550	0.047	2	108.8382	0.029	33	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|Cu<4>,1|N<4>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|Cu<4>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.7702	0.086	21	108.8382	0.029	33	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|Cu<4>,1|N<4>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|Cu<4>,1|H<1>,1|N<4>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.0125	0.011	2	108.8382	0.029	33	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|Pd<4>,1|N<4>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|Pd<4>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.5320	0.047	2	108.8382	0.029	33	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|Pd<4>,1|N<4>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|Pd<4>,1|H<1>,1|N<4>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.0812	0.111	6	108.8382	0.029	33	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3345	0.025	2	109.3345	0.001	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	110.2300	1.272	4	110.2300	1.619	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|H<1>,1|N<2>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.2395	0.028	2	109.1703	0.015	3	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.0320	0.000	1	109.1703	0.015	3	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1840	0.033	2	109.1478	0.008	5	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]O[6])(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1905	0.012	2	109.1478	0.008	5	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]O[6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9900	0.000	1	109.1478	0.008	5	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6,6]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.4550	3.485	2	109.4550	12.143	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]2)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.4330	0.017	2	109.5250	0.011	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]2)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.6170	0.004	2	109.5250	0.011	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.9445	0.125	6	108.9562	0.024	13	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.0120	0.016	4	108.9562	0.024	13	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.7305	0.011	2	108.9562	0.024	13	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<4>,2|C<3>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.2540	0.000	1	108.9562	0.024	13	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.4493	0.074	4	109.4493	0.005	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|Cl<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2297	0.069	3	109.2297	0.005	3	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]FH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|F<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]FH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0110	0.027	2	109.0110	0.001	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3435	0.006	2	109.2598	0.009	10	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0540	0.000	1	109.2598	0.009	10	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2653	0.068	7	109.2598	0.009	10	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HI)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|I<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HI)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2543	0.053	3	109.2543	0.003	3	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3350	0.020	2	109.3350	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.6877	0.103	4	109.6877	0.011	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.4890	0.000	1	109.4890	0.000	1	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	110.6320	0.945	4	110.6320	0.892	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3]O[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[3]O[6]H)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	110.1110	0.103	2	110.1110	0.011	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.5167	0.354	3	109.5167	0.126	3	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5772	0.482	8	109.7626	1.269	40	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	112.1515	0.598	2	109.7626	1.269	40	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	112.1330	0.877	2	109.7626	1.269	40	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	110.8200	1.049	2	109.7626	1.269	40	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.2582	0.035	6	109.7626	1.269	40	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5540	0.047	2	109.7626	1.269	40	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7660	0.000	1	109.7626	1.269	40	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4027	0.456	4	109.7626	1.269	40	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	110.5122	0.770	4	109.7626	1.269	40	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,1|O<2>}	H(C[6]C[6,6]C[6]H)	107.3785	0.023	2	109.7626	1.269	40	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.3853	0.466	3	109.7626	1.269	40	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4205	0.033	4	109.7626	1.269	40	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	110.0437	0.080	4	110.6069	0.544	8	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	111.1700	0.645	4	110.6069	0.544	8	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.9718	0.068	8	109.9718	0.005	8	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	110.0100	0.008	2	110.0100	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.6691	0.888	7	109.6691	0.788	7	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HS)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HS)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.5777	1.449	8	109.5777	2.100	8	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2455	0.026	2	109.2455	0.001	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]O[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6]O[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.7957	0.122	4	109.7957	0.015	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]N)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]N)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.4205	0.009	2	109.4205	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.0823	0.154	4	109.2705	0.141	21	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.3040	0.502	10	109.2705	0.141	21	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.6390	0.008	2	109.2705	0.141	21	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.1525	0.022	2	109.2705	0.141	21	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.2427	0.101	3	109.2705	0.141	21	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|O<2>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.7945	0.005	2	109.7945	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.0203	0.057	6	109.0203	0.003	6	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]P[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]P[6]H)(C[6]C[6]HH)(H)2{1|Se<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|P<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.6185	0.039	2	108.6185	0.002	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]S[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]S[6]2)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{2|C<4>,2|S<2>}	H(C[6]C[6,6]C[6]H)	109.5045	0.972	2	109.5045	0.945	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.6485	0.012	2	109.8814	0.793	10	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	110.6130	1.058	4	109.8814	0.793	10	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2662	0.065	4	109.8814	0.793	10	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]Si[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]Si[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6,6]C[6]H)	109.1293	0.054	3	109.1293	0.003	3	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[3x6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[3x6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.6810	0.013	2	109.6810	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.5785	1.699	4	109.5785	2.887	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1290	0.000	1	109.1290	0.000	1	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1040	0.000	1	109.1040	0.000	1	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0497	0.319	11	109.0008	0.106	13	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.7315	0.286	2	109.0008	0.106	13	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.3285	0.025	2	109.3285	0.001	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.5487	0.307	8	109.0095	0.054	140	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.0435	0.009	4	109.0095	0.054	140	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9235	0.022	2	109.0095	0.054	140	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7690	0.040	2	109.0095	0.054	140	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1080	0.247	6	109.0095	0.054	140	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0775	0.021	2	109.0095	0.054	140	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1705	0.077	2	109.0095	0.054	140	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1102	0.169	48	109.0095	0.054	140	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.0897	0.210	9	109.0095	0.054	140	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.9510	0.033	2	109.0095	0.054	140	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9756	0.203	53	109.0095	0.054	140	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.7660	0.010	2	109.0095	0.054	140	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9673	0.030	4	108.9673	0.001	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9850	0.057	2	109.1838	0.012	14	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2169	0.071	12	109.1838	0.012	14	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HS)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.7345	0.261	2	108.7345	0.068	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]SeH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|Se<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]SeH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0105	0.013	2	109.0105	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.4882	0.372	10	109.4882	0.138	10	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4345	0.021	2	109.3481	0.010	7	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.4380	0.000	1	109.3481	0.010	7	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2825	0.079	4	109.3481	0.010	7	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.5207	0.145	6	109.5207	0.021	6	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8426	0.207	5	108.8426	0.043	5	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.7150	0.035	4	108.7150	0.001	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.9440	0.000	1	108.9440	0.000	1	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]N[6])(C[6]C[6]HH)(H)2{1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.1635	1.488	2	109.1635	2.216	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1420	0.006	2	109.1032	0.002	6	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0535	0.016	2	109.1032	0.002	6	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1140	0.025	2	109.1032	0.002	6	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6,6]C[6]H)	110.1455	1.428	2	110.1455	2.038	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.5220	0.069	2	109.5220	0.005	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.7140	0.048	2	109.7140	0.002	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.0363	0.010	3	109.0363	0.000	3	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]S[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]S[6]2)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2{2|C<3>,2|S<2>}	H(C[6]C[6,6]C[6]H)	109.2590	0.018	2	109.2590	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0412	0.187	6	108.8464	1.599	59	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0422	0.176	6	108.8464	1.599	59	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|S<2>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8845	0.187	6	108.8464	1.599	59	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0740	0.053	5	108.8464	1.599	59	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1263	0.067	6	108.8464	1.599	59	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{1|N<3>,1|S<4>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.5138	2.565	4	108.8464	1.599	59	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|N<3>}	H(C[6]C[6,6]C[6]H)	109.0520	0.000	1	108.8464	1.599	59	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,1|S<4>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.2053	0.274	8	108.8464	1.599	59	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0550	0.092	4	108.8464	1.599	59	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.5595	4.696	4	108.8464	1.599	59	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.2005	0.032	2	108.8464	1.599	59	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8685	0.022	2	108.8464	1.599	59	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{4|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9320	0.035	5	108.8464	1.599	59	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.4450	0.018	2	109.4450	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.6520	0.061	4	109.6520	0.004	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|B<3>,1|C<4>,1|N<3>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2260	0.014	2	109.0624	0.035	64	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2471	0.082	8	109.0624	0.035	64	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.4015	0.021	2	109.0624	0.035	64	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]H)	108.9450	0.042	2	109.0624	0.035	64	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.2682	0.104	6	109.0624	0.035	64	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8321	0.135	7	109.0624	0.035	64	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9121	0.118	7	109.0624	0.035	64	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.2955	0.060	2	109.0624	0.035	64	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6,6]C[6]H)	108.7680	0.006	2	109.0624	0.035	64	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0424	0.135	13	109.0624	0.035	64	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0097	0.050	4	109.0624	0.035	64	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0373	0.105	3	109.0624	0.035	64	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0683	0.037	4	109.0624	0.035	64	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{4|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9760	0.021	2	109.0624	0.035	64	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2343	0.220	4	109.2343	0.048	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2P[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2P[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|P<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9351	0.105	8	108.8904	0.024	16	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2P[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2P[6])(C[6]C[6]HH)(H)2{1|Pd<4>,1|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|P<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8458	0.190	8	108.8904	0.024	16	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2S[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2S[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3036	1.116	31	109.2035	0.969	41	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2S[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2S[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,1|S<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.8930	0.122	10	109.2035	0.969	41	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7917	0.029	4	108.7917	0.001	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,6|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.7008	0.278	10	108.8906	0.152	14	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.3650	0.087	4	108.8906	0.152	14	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,8|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9850	0.000	1	108.9630	0.286	46	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.7475	0.015	2	108.9630	0.286	46	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,7|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1350	0.007	2	108.9630	0.286	46	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.8815	0.012	2	108.9630	0.286	46	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.1200	0.000	1	108.9630	0.286	46	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8240	0.107	2	108.9630	0.286	46	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2000	0.176	6	108.9630	0.286	46	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,8|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6532	0.328	10	108.9630	0.286	46	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9374	0.164	5	108.9630	0.286	46	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,8|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8607	0.099	4	108.9630	0.286	46	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,7|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	110.1340	2.662	2	108.9630	0.286	46	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9242	0.132	5	108.9630	0.286	46	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0662	0.164	4	108.9630	0.286	46	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.6350	0.014	2	109.3320	0.724	15	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.1627	0.259	3	109.3320	0.724	15	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,2|O<1>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.3665	0.045	2	109.3320	0.724	15	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.0070	0.031	2	109.3320	0.724	15	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.4073	0.120	4	109.3320	0.724	15	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	110.4230	2.506	2	109.3320	0.724	15	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.1495	1.012	2	109.1495	1.024	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]N[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]N[6]2)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2712	0.193	8	109.1035	0.038	42	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]N[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]N[6]2)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6,6]C[6]H)	109.0365	0.178	29	109.1035	0.038	42	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]N[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]N[6]2)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2485	0.013	2	109.1035	0.038	42	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]N[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]N[6]2)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6,6]C[6]H)	109.2077	0.032	3	109.1035	0.038	42	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]N[6]O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]N[6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2435	0.058	4	109.3332	0.289	18	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]N[6]O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]N[6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1557	0.333	12	109.3332	0.289	18	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]N[6]O[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]N[6]O[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	110.5780	0.406	2	109.3332	0.289	18	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2{2|C<4>,3|O<2>}	H(C[6]C[6,6]C[6]H)	109.0920	0.028	2	109.0920	0.001	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{2|C<4>,3|O<2>}	H(C[6]C[6,6]C[6]H)	109.2390	0.000	1	109.2390	0.000	1	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.3621	0.049	7	109.3621	0.002	7	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|Br<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	110.2250	0.076	2	109.3938	0.141	108	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.5602	0.706	10	109.3938	0.141	108	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.6045	0.039	2	109.3938	0.141	108	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.7420	2.461	2	109.3938	0.141	108	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.3835	0.128	55	109.3938	0.141	108	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.5770	0.052	4	109.3938	0.141	108	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|Fe<7>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.4110	0.045	4	109.3938	0.141	108	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.1603	0.035	3	109.3938	0.141	108	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.2840	0.021	2	109.3938	0.141	108	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.1971	0.128	16	109.3938	0.141	108	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.3175	0.245	8	109.3938	0.141	108	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.4028	0.279	6	109.4028	0.078	6	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.2865	0.005	2	109.2729	0.006	10	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.2695	0.089	8	109.2729	0.006	10	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|S<2>}	H(C[6]C[6,6]C[6]H)	109.0263	0.059	4	109.0473	0.005	8	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|S<2>}	H(C[6]C[6,6]C[6]H)	109.0045	0.037	2	109.0473	0.005	8	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|S<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1320	0.024	2	109.0473	0.005	8	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|C<4>,2|S<2>}	H(C[6]C[6,6]C[6]H)	109.4930	0.123	2	109.3770	0.013	6	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|C<4>,2|S<2>}	H(C[6]C[6,6]C[6]H)	109.3190	0.051	4	109.3770	0.013	6	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.6270	0.000	1	109.6270	0.000	1	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1560	0.011	2	109.2416	0.030	24	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3020	0.010	2	109.2416	0.030	24	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2977	0.164	16	109.2416	0.030	24	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0300	0.107	4	109.2416	0.030	24	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[3x6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[3x6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,3|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{2|H<1>,3|N<3>}	H(C[6]C[6,6]C[6]H)	109.3293	0.175	8	109.3293	0.031	8	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[5,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[5,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|H<1>,2|N<3>}	H(C[6]C[6,6]C[6]H)	109.2605	0.032	2	109.4195	0.034	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[5,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[5,6]N[6,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|H<1>,2|N<3>}	H(C[6]C[6,6]C[6]H)	109.5785	0.006	2	109.4195	0.034	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[5,6]O[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[5,6]O[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.5675	0.028	2	109.5675	0.001	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<2>}	H(C[6]C[6,6]C[6]H)	109.6580	0.055	2	109.6580	0.003	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3850	0.040	2	109.3850	0.002	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8675	0.011	2	108.8675	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5390	0.081	7	109.4580	0.014	13	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]2H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3635	0.073	6	109.4580	0.014	13	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]2H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)2(H)2{1|N<2>,2|H<1>,2|N<3>}	H(C[6]C[6,6]C[6]H)	109.2512	0.122	4	109.2512	0.015	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.5902	0.701	4	109.5902	0.491	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.1263	0.757	6	109.1263	0.574	6	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<4>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.5100	0.004	2	109.5100	0.000	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.5515	0.163	2	109.1945	0.051	12	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0450	0.000	2	109.1945	0.051	12	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0828	0.163	6	109.1945	0.051	12	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3220	0.011	2	109.1945	0.051	12	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	111.0705	0.199	2	109.4392	0.352	63	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	110.6170	0.991	2	109.4392	0.352	63	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3294	0.123	29	109.4392	0.352	63	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3405	0.005	2	109.4392	0.352	63	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]H)	108.9625	0.012	2	109.4392	0.352	63	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0900	0.000	1	109.4392	0.352	63	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.4055	0.025	2	109.4392	0.352	63	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|S<1>}	H(C[6]C[6,6]C[6]H)	111.0290	0.453	2	109.4392	0.352	63	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9893	0.160	6	109.4392	0.352	63	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2147	0.264	3	109.4392	0.352	63	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.7620	0.000	1	109.4392	0.352	63	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4180	0.020	2	109.4392	0.352	63	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2800	0.013	2	109.4392	0.352	63	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|S<4>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0290	0.000	1	109.4392	0.352	63	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9920	0.065	2	109.4392	0.352	63	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	110.2085	1.473	2	109.4392	0.352	63	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0045	0.032	2	109.4392	0.352	63	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0507	0.058	4	109.2618	0.096	57	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|H<1>,2|N<3>}	H(C[6]C[6,6]C[6]H)	109.3515	0.015	2	109.2618	0.096	57	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2370	0.000	1	109.2618	0.096	57	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.7413	0.860	4	109.2618	0.096	57	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2490	0.030	2	109.2618	0.096	57	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|H<1>,2|N<3>}	H(C[6]C[6,6]C[6]H)	109.0460	0.041	2	109.2618	0.096	57	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1512	0.109	11	109.2618	0.096	57	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.8180	0.025	2	109.2618	0.096	57	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.4180	0.000	1	109.2618	0.096	57	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3710	0.104	24	109.2618	0.096	57	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1513	0.016	4	109.2618	0.096	57	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|F<1>,3|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.7890	0.025	2	108.7870	0.000	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]HH)(H)2{2|F<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)2(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.7850	0.010	2	108.7870	0.000	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]Si)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]Si)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1215	3.063	4	109.1215	9.383	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0950	0.010	2	109.1480	0.004	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|N<3>,1|N<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2010	0.024	2	109.1480	0.004	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.7160	0.027	2	109.7160	0.001	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|N<2>,2|H<1>,2|N<3>}	H(C[6]C[6,6]C[6]H)	109.3865	0.062	2	109.3865	0.004	2	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.3610	0.000	1	109.3610	0.000	1	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.6670	0.104	4	110.0095	9.982	13	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2920	0.030	4	110.0095	9.982	13	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	110.8576	5.330	5	110.0095	9.982	13	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]BrH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]BrH)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4567	0.154	4	108.4567	0.024	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4255	0.100	4	108.4255	0.010	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2500	0.010	2	109.5165	3.069	17	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	113.0235	4.563	2	109.5165	3.069	17	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.0180	0.160	13	109.5165	3.069	17	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]H)	108.7560	0.000	1	108.6735	0.011	11	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]H)	108.6652	0.109	10	108.6735	0.011	11	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Co<4>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|P<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.2105	0.229	22	108.2064	0.043	214	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Cr<6>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|P<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.2958	0.190	18	108.2064	0.043	214	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|P<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|P<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.1650	0.134	8	108.2064	0.043	214	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|P<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|P<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.2542	0.133	26	108.2064	0.043	214	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Pd<4>,1|C<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|P<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.1794	0.223	26	108.2064	0.043	214	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Pd<4>,1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|P<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.0638	0.085	6	108.2064	0.043	214	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Pd<4>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|P<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.2407	0.139	37	108.2064	0.043	214	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Pt<4>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|P<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.2113	0.132	6	108.2064	0.043	214	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Pt<4>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|P<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.1093	0.416	18	108.2064	0.043	214	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ru<8>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|P<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.1789	0.180	15	108.2064	0.043	214	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ru<9>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|P<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.2169	0.167	15	108.2064	0.043	214	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Se<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|P<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.1922	0.064	5	108.2064	0.043	214	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Si<4>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|P<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.1638	0.070	5	108.2064	0.043	214	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|P<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.1976	0.228	7	108.2064	0.043	214	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]BrH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|Br<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]BrH)(C[6]C[6,6]HH)(H)2{1|Se<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	107.9776	0.165	9	108.0612	0.038	15	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]BrH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|Br<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]BrH)(C[6]C[6,6]HH)(H)2{1|Se<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.1867	0.178	6	108.0612	0.038	15	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]ClH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]ClH)(C[6]C[6,6]HH)(H)2{1|Se<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.1337	0.023	4	108.1337	0.001	4	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HI)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|I<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HI)(H)2{1|Se<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.0293	0.043	6	108.0293	0.002	6	108.9842	0.580	7561	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HI)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)(I)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HI)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)(I){4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8717	0.056	4	108.8717	0.003	4	109.2982	0.169	9	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HI)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)(I)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HI)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)(I){1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.6394	0.091	5	109.6394	0.008	5	109.2982	0.169	9	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)(O){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0020	0.206	4	109.0020	0.042	4	109.0020	0.042	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.4822	3.035	4	109.4822	9.213	4	109.4016	3.664	10	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1450	0.072	2	109.1450	0.005	2	109.4016	3.664	10	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9350	2.022	2	108.9350	4.090	2	109.4016	3.664	10	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[3x6]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6,6]CC)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(N[6]C[6,6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6,6]C[6]H)	109.9635	0.121	2	109.9635	0.015	2	109.4016	3.664	10	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]N[6])(C[6]S[6]HH)(H)2	C[6](C[6]C[6,6]HH)(S[6]C[6]OO)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6]N[6])(C[6]S[6]HH)(H)2{1|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(S[6]C[6]OO)(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.7738	0.102	4	108.7738	0.010	4	108.7738	0.010	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]P[6]HH)(H)2	C[6](P[6]C[5,6]C[6a]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]P[6]HH)(H)2{1|B<4>,1|C<4>,3|C<3>,3|H<1>}	C[6](P[6]C[5,6]C[6a]2)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,5|C<3>}	H(C[6]C[6,6]C[6]H)	108.7940	0.064	2	108.7940	0.004	2	108.6637	0.025	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]P[6]HH)(H)2	C[6](P[6]C[6,6]SeC)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]P[6]HH)(H)2{1|Se<1>,3|C<4>,4|H<1>}	C[6](P[6]C[6,6]SeC)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.5335	0.056	2	108.5335	0.003	2	108.6637	0.025	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[4,6,6]O[6]H)(C[6]C[6]HH)(H)(I)	C[6](C[6]C[4,6]HH)(C[6]C[6,6]HI)(H)2	H(C[6]C[6,6]C[6]I)	C[6](C[6,6]C[4,6,6]O[6]H)(C[6]C[6]HH)(H)(I){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6,6]HI)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]I)	107.9425	0.398	2	107.9425	0.158	2	107.5278	0.201	5	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)(I)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HI)(H)2	H(C[6]C[6,6]C[6]I)	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)(I){2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HI)(H)2{1|Se<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]I)	107.2513	0.192	3	107.2513	0.037	3	107.5278	0.201	5	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:O-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)(O){3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	108.2050	0.000	2	108.2050	0.000	2	108.2050	0.000	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)(O)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(H)(O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(H)(O){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]O)	107.3370	0.000	1	107.3370	0.000	1	107.3370	0.000	1	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6,6]C[6]3)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[5,6]HH)(C[6,6]C[6]3)(H)2{1|N<3>,3|C<4>,7|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9445	0.013	2	108.9445	0.000	2	108.9445	0.000	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6,6]C[6]3)(H)2	C[6](C[6,6]C[5,5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6]HH)(C[6,6]C[6]3)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[6](C[6,6]C[5,5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	108.6825	0.009	2	109.5382	2.289	5	109.3786	1.600	7	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6,6]C[6]3)(H)2	C[6](C[6,6]C[5,5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6]HH)(C[6,6]C[6]3)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[6](C[6,6]C[5,5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{3|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	110.1087	1.832	3	109.5382	2.289	5	109.3786	1.600	7	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6,6]C[6]3)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6]HH)(C[6,6]C[6]3)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{2|C<4>,5|C<3>}	H(C[6]C[6,6]C[6]H)	108.9795	0.011	2	108.9795	0.000	2	109.3786	1.600	7	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6,6]C[6]3)(H)2	C[6](C[6]C[6,6]HH)(C[6,6]C[6]3)(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6]HH)(C[6,6]C[6]3)(H)2{2|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6,6]C[6]3)(H)2{2|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9247	0.169	7	108.9247	0.029	7	108.9247	0.029	7	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]HH)(Br)(H)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]BrH)(Br)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]HH)(Br)(H){1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]BrH)(Br)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2Br)	107.3305	0.081	2	107.3305	0.007	2	107.7245	0.250	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]BrH)(C[6]C[6]BrH)(Br)(H)	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]BrH)(Br)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[5,6]BrH)(C[6]C[6]BrH)(Br)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]BrH)(Br)(H){1|Br<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2Br)	108.1185	0.349	2	108.1185	0.122	2	107.7245	0.250	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]HH)(Br)(H)	C[6](C[5,6]O[5,6]C[6a]C[5])(C[6]C[6]BrH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]HH)(Br)(H){1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]O[5,6]C[6a]C[5])(C[6]C[6]BrH)(H)2{1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2Br)	107.3505	0.100	2	107.3505	0.010	2	107.3505	0.010	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(Br)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(Br)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2Br)	107.9370	0.000	1	107.9370	0.000	1	108.2853	0.467	8	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Br)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2Br)	108.2750	0.000	1	108.1940	0.013	2	108.2853	0.467	8	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Br)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Br)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2Br)	108.1130	0.000	1	108.1940	0.013	2	108.2853	0.467	8	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Br)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]BrH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Br)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]BrH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2Br)	108.6730	0.000	1	108.3914	0.766	5	108.2853	0.467	8	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Br)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]BrH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Br)(H){1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]BrH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2Br)	108.3210	0.994	4	108.3914	0.766	5	108.2853	0.467	8	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]BrH)(C[6]C[6]BrH)(Br)(H)	C[6](C[6]C[6,6a]BrH)(C[6]C[6]BrH)(Br)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6,6a]BrH)(C[6]C[6]BrH)(Br)(H){1|Br<1>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]BrH)(C[6]C[6]BrH)(Br)(H){1|Br<1>,1|H<1>,2|C<3>}	H(C[6]C[6]2Br)	108.4140	3.451	2	108.4140	11.907	2	108.2388	3.224	18	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]BrH)(Br)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]BrH)(Br)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6,6a]HO)(C[6]C[6]BrH)(Br)(H){1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]BrH)(Br)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6]2Br)	108.7860	0.255	2	107.3350	2.144	6	108.2388	3.224	18	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]BrH)(Br)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]BrH)(Br)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6,6a]HO)(C[6]C[6]BrH)(Br)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]BrH)(Br)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2Br)	106.6095	1.202	4	107.3350	2.144	6	108.2388	3.224	18	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]2H)(Br)(H)	C[6](C[6]C[6]BrH)2(Br)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6]BrH)(C[6]C[6]2H)(Br)(H){1|Br<1>,1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]BrH)2(Br)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2Br)	108.0260	0.000	1	108.0260	0.000	1	108.2388	3.224	18	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H){1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2Br)	108.8720	0.000	1	108.6267	0.152	6	108.2388	3.224	18	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2Br)	108.6080	0.000	1	108.6267	0.152	6	108.2388	3.224	18	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2Br)	109.0760	0.000	1	108.6267	0.152	6	108.2388	3.224	18	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H){1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2Br)	108.6130	0.000	1	108.6267	0.152	6	108.2388	3.224	18	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2Br)	107.9240	0.000	1	108.6267	0.152	6	108.2388	3.224	18	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2Br)	108.6670	0.000	1	108.6267	0.152	6	108.2388	3.224	18	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]BrH)(Br)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]BrH)(Br)(H){3|C<4>,3|H<1>}	H(C[6]C[6]2Br)	106.0510	0.000	1	106.0510	0.000	1	108.2388	3.224	18	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)2(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]2H)(Br)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6]BrH)2(Br)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]2H)(Br)(H){1|Br<1>,1|C<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2Br)	108.8780	0.000	1	108.8780	0.000	1	108.2388	3.224	18	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]BrH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6]O[6]H)(C[6]C[6]BrH)(Br)(H){3|C<4>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2Br)	112.7460	0.000	1	112.7460	0.000	1	108.2388	3.224	18	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]BrC)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]BrH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[5,6]BrC)(C[6]C[6]HH)(Br)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]BrH)(H)2{1|Br<1>,1|H<1>,3|C<4>}	H(C[6]C[6]2Br)	108.2090	0.000	1	108.2090	0.000	1	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2Br)	106.9350	0.000	1	107.1367	0.034	6	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2Br)	106.9170	0.000	1	107.1367	0.034	6	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2Br)	107.2225	0.095	2	107.1367	0.034	6	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2{5|C<4>}	H(C[6]C[6]2Br)	107.2615	0.156	2	107.1367	0.034	6	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2Br)	107.6680	0.000	1	107.4023	0.098	10	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2Br)	107.2870	0.298	7	107.4023	0.098	10	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2Br)	107.6730	0.199	2	107.4023	0.098	10	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]BrH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Br)(H){1|O<2>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]BrH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2Br)	108.3090	0.959	4	108.3090	0.920	4	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2Br)	108.2190	0.000	1	108.1710	0.005	2	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Br)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2Br)	108.1230	0.000	1	108.1710	0.005	2	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]BrH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Br)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]BrH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2Br)	108.7680	0.000	1	108.7680	0.000	1	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]BrH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(Br)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]BrH)(H)2{1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6]2Br)	108.4040	0.000	1	108.4040	0.000	1	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]BrH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(Br)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]BrH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2Br)	108.7160	0.355	6	108.7160	0.126	6	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2{1|Br<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2Br)	108.6190	0.000	1	108.6190	0.000	1	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]CN)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H){1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]CN)(H)2{1|Br<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2Br)	108.5710	0.000	1	108.2235	0.242	2	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]CN)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]CN)(H)2{1|Br<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2Br)	107.8760	0.000	1	108.2235	0.242	2	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,1|N<2>,2|C<4>}	H(C[6]C[6]2Br)	108.9220	0.000	1	108.8787	0.040	3	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2Br)	108.6610	0.000	1	108.8787	0.040	3	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2Br)	109.0530	0.000	1	108.8787	0.040	3	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]O[6]CH)(H)2{1|Br<1>,1|C<4>,1|H<1>}	H(C[6]C[6]2Br)	109.7540	0.000	1	109.7540	0.000	1	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Br)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2Br)	107.2907	0.458	3	107.2907	0.210	3	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2Br)	107.9625	0.094	2	107.9625	0.009	2	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]BrH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]BrH)(H)2{1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2Br)	107.8370	0.000	1	107.8370	0.000	1	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2{1|Cl<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2Br)	108.5805	0.111	2	108.5805	0.012	2	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(Br)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2Br)	108.6280	0.529	2	108.6280	0.280	2	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(Br)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2Br)	108.7423	0.172	6	108.7423	0.029	6	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(Br)(H){1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2Br)	108.0825	0.275	2	108.0825	0.076	2	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(Br)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2Br)	107.8160	0.000	1	107.8160	0.000	1	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(Br)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2Br)	108.9000	0.000	1	108.9000	0.000	1	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(Br)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,3|H<1>}	H(C[6]C[6]2Br)	108.6660	0.000	1	108.6660	0.000	1	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6]HH)2(Br)(H){1|O<2>,4|C<4>}	C[6](C[6]C[6]BrH)(C[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2Br)	108.7700	0.000	1	108.7700	0.000	1	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]CO)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6]HH)2(Br)(H){1|O<2>,4|C<4>}	C[6](C[6]C[6]BrH)(C[6]C[6]CO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2Br)	108.7460	0.000	1	108.7460	0.000	1	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6]HH)2(Br)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2Br)	107.0090	0.263	2	107.0090	0.069	2	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(Br)(H)	C[6](C[6]C[6]BrH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6]HH)2(Br)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2Br)	109.5920	0.000	1	109.5920	0.000	1	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(Br)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]BrH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6]HH)2(Br)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]BrH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2Br)	109.5620	0.000	1	109.5620	0.000	1	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2Br)	108.6210	0.000	1	108.6210	0.000	1	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(Br)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2Br)	109.5270	0.000	1	109.5270	0.000	1	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(Br)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2Br)	107.8825	0.186	2	107.8825	0.035	2	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(Br)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2Br)	108.0460	0.000	1	108.0460	0.000	1	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(Br)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2Br)	107.9500	0.000	1	107.9500	0.000	1	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(Br)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2Br)	108.1600	0.000	1	108.1600	0.000	1	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]FH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(Br)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[6](C[6]C[6]BrH)(C[6]C[6]FH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2Br)	107.7670	0.000	1	107.7670	0.000	1	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(Br)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2Br)	109.3085	0.487	2	109.3085	0.237	2	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[4,6]HH)(C[6]C[6]BrH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]BrH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2Br)	108.8350	0.000	1	108.8350	0.000	1	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5]O[6]H)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]N[5]O[6]H)(C[6]C[6]HH)(Br)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2Br)	109.2260	0.000	1	109.2260	0.000	1	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]ClC)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]BrH)(H)2	H(C[6]C[6]2Br)	C[6](C[6]S[6]ClC)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]BrH)(H)2{1|Cl<1>,1|H<1>,1|S<2>,4|C<3>}	H(C[6]C[6]2Br)	107.7070	0.000	1	107.7070	0.000	1	108.2117	0.585	78	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(Cl)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(Cl)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]ClH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6]2Cl)	106.8710	0.742	2	106.8710	0.551	2	106.8710	0.551	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(Cl)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]ClH)(H)2{3|C<4>,4|C<3>}	H(C[6]C[6]2Cl)	107.7900	0.000	1	107.5740	0.093	2	107.9283	0.423	3	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(Cl)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(Cl)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]ClH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6]2Cl)	107.3580	0.000	1	107.5740	0.093	2	107.9283	0.423	3	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(Cl)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(Cl)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]ClH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2Cl)	108.6370	0.000	1	108.6370	0.000	1	107.9283	0.423	3	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(Cl)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]ClH)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]2Cl)	107.5690	0.000	1	107.5690	0.000	1	108.6940	1.627	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]ClH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2Cl)	108.2700	0.120	2	108.2700	0.014	2	108.6940	1.627	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H){1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2Cl)	109.3247	2.616	3	109.3247	6.841	3	108.6940	1.627	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]ClH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2Cl)	108.5263	0.289	3	108.5263	0.084	3	108.6940	1.627	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(Cl)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(Cl)(H){4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]ClH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2Cl)	109.2795	0.315	2	109.2795	0.099	2	108.6940	1.627	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Cl)(H)	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Cl)(H){1|Cl<1>,1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6]ClH)(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6]2Cl)	108.1070	0.000	1	108.1070	0.000	1	108.6940	1.627	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(Cl)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2Cl)	107.5270	0.000	1	107.5270	0.000	1	108.4487	0.899	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(Cl)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2Cl)	108.9290	0.000	1	108.9785	0.005	2	108.4487	0.899	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(Cl)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2Cl)	109.0280	0.000	1	108.9785	0.005	2	108.4487	0.899	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(Cl)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2Cl)	108.5810	0.000	1	108.5810	0.000	1	108.4487	0.899	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(Cl)(H){1|H<1>,3|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]ClH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]2Cl)	107.6280	0.000	1	107.6280	0.000	1	108.4487	0.899	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Cl)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2Cl)	107.3610	0.164	2	107.3610	0.027	2	108.4487	0.899	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(Cl)(H){1|O<2>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]ClH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2Cl)	107.9087	0.360	3	107.9087	0.129	3	108.4487	0.899	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(Cl)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2Cl)	108.7833	0.135	3	108.7833	0.018	3	108.4487	0.899	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H){1|O<2>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]ClH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2Cl)	107.7057	1.222	3	107.7057	1.494	3	108.4487	0.899	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2Cl)	108.7256	0.145	7	108.5889	0.058	12	108.4487	0.899	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2Cl)	108.2640	0.139	2	108.5889	0.058	12	108.4487	0.899	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2Cl)	108.4867	0.247	3	108.5889	0.058	12	108.4487	0.899	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]ClH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6,6a]ClH)(C[6]C[6]HH)(Cl)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(H)2{1|Cl<1>,1|H<1>,2|C<3>}	H(C[6]C[6]2Cl)	109.3460	0.000	1	109.3460	0.000	1	108.4487	0.899	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(Cl)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2Cl)	108.6990	0.165	2	108.6990	0.027	2	108.4487	0.899	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH)(Cl)(H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2Cl)	109.6470	0.000	1	109.6470	0.000	1	108.4487	0.899	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2Cl)	107.3690	0.000	1	107.3690	0.000	1	108.4487	0.899	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Cl)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2Cl)	107.3340	0.152	3	107.3340	0.023	3	108.4487	0.899	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6]ClH)2(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Cl)(H){1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]ClH)2(H)2{1|Cl<1>,1|C<3>,3|C<4>}	H(C[6]C[6]2Cl)	107.9490	0.000	1	107.9490	0.000	1	108.4487	0.899	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(Cl)(H){1|O<2>,4|C<4>}	C[6](C[6]C[6]ClH)(C[6]C[6]CC)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2Cl)	107.9940	0.000	1	107.9940	0.000	1	108.4487	0.899	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(Cl)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2Cl)	109.3925	0.101	2	109.3925	0.010	2	108.4487	0.899	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(Cl)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]2Cl)	107.4380	0.000	1	107.4380	0.000	1	108.4487	0.899	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6]ClH)2(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(Cl)(H){1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]ClH)2(H)2{1|Cl<1>,1|C<3>,3|C<4>}	H(C[6]C[6]2Cl)	107.0200	0.000	1	107.0200	0.000	1	108.4487	0.899	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(Cl)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2Cl)	108.0930	0.000	1	108.0930	0.000	1	108.4487	0.899	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(Cl)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2Cl)	112.3090	0.000	1	112.3090	0.000	1	108.4487	0.899	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2Cl)	108.7480	0.000	1	108.7480	0.000	1	108.4487	0.899	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HN)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6]HH)(C[6]O[6]HN)(Cl)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2Cl)	108.9940	0.000	1	108.9940	0.000	1	108.4487	0.899	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6]HH)2(Cl)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2Cl)	106.2205	0.221	2	106.2205	0.049	2	108.4487	0.899	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6]HH)2(Cl)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2Cl)	108.3700	0.000	1	108.8548	0.554	12	108.4487	0.899	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6]HH)2(Cl)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2Cl)	108.9490	0.000	1	108.8548	0.554	12	108.4487	0.899	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6]HH)2(Cl)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2Cl)	108.8860	0.000	1	108.8548	0.554	12	108.4487	0.899	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6]HH)2(Cl)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2Cl)	111.1570	0.000	1	108.8548	0.554	12	108.4487	0.899	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6]HH)2(Cl)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2Cl)	108.6120	0.106	8	108.8548	0.554	12	108.4487	0.899	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6]HH)2(Cl)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2Cl)	108.5770	0.000	1	108.5770	0.000	1	108.4487	0.899	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(Cl)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6]HH)2(Cl)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]ClH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2Cl)	108.3460	0.000	1	108.7037	0.096	3	108.4487	0.899	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(Cl)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6]HH)2(Cl)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]ClH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2Cl)	108.8970	0.000	1	108.7037	0.096	3	108.4487	0.899	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(Cl)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6]HH)2(Cl)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]ClH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2Cl)	108.8680	0.000	1	108.7037	0.096	3	108.4487	0.899	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(Cl)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6]HH)2(Cl)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]ClH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2Cl)	108.6010	0.000	1	108.6010	0.000	1	108.4487	0.899	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(Cl)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2Cl)	109.5390	0.000	1	109.5390	0.000	1	108.4487	0.899	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[4,6]Cl2)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2Cl)	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(Cl)(H){2|Cl<1>,1|C<3>,1|C<4>}	C[6](C[6]C[4,6]Cl2)(C[6]C[6]ClH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2Cl)	108.7690	0.000	1	108.7690	0.000	1	108.4487	0.899	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(F)(H)	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]FH)(H)2	H(C[6]C[6]2F)	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(F)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]FH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2F)	108.3785	0.436	2	108.3785	0.190	2	108.3785	0.190	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[5,6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]FH)(C[6]C[5,6]HO)(F)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]FH)(F)(H)	H(C[6]C[6]2F)	C[6](C[6]C[5,6]FH)(C[6]C[5,6]HO)(F)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]FH)(F)(H){1|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2F)	109.3205	0.050	2	109.3205	0.003	2	109.1437	0.021	6	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[5,6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]FH)2(F)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]FH)(F)(H)	H(C[6]C[6]2F)	C[6](C[6]C[5,6]FH)2(F)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,1|O<2>,3|H<1>}	H(C[6]C[6]2F)	109.0560	0.054	2	109.0560	0.003	2	109.1437	0.021	6	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[5,6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]FH)2(F)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]FH)(F)(H)	H(C[6]C[6]2F)	C[6](C[6]C[5,6]FH)2(F)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]FH)(F)(H){1|F<1>,1|H<1>,2|C<4>}	H(C[6]C[6]2F)	109.0545	0.059	2	109.0545	0.003	2	109.1437	0.021	6	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6,6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]FH)(C[6]O[6]HO)(F)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]FH)(F)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6,6]FH)(C[6]O[6]HO)(F)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]FH)(F)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2F)	109.5995	0.943	2	109.5995	0.888	2	109.5995	0.888	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(F)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]FH)(H)2	H(C[6]C[6]2F)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(F)(H){5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]FH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2F)	109.3940	0.000	1	109.3940	0.000	1	108.9190	0.227	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(F)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]FH)(H)2	H(C[6]C[6]2F)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(F)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]FH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6]2F)	108.2680	0.000	1	108.2680	0.000	1	108.9190	0.227	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(F)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]FH)(H)2	H(C[6]C[6]2F)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(F)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]FH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2F)	108.9190	0.000	1	108.9190	0.000	1	108.9190	0.227	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(F)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]FH)(H)2	H(C[6]C[6]2F)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(F)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]FH)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2F)	109.0950	0.000	1	109.0950	0.000	1	108.9190	0.227	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|C<1>,1|F<1>,1|H<1>,2|C<4>}	H(C[6]C[6]2F)	109.0705	0.541	2	108.2618	0.642	20	108.9624	0.521	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|F<1>,1|H<1>,3|C<4>}	H(C[6]C[6]2F)	108.1719	0.784	18	108.2618	0.642	20	108.9624	0.521	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|C<1>,1|F<1>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6]2F)	109.0255	0.067	2	108.7599	0.103	17	108.9624	0.521	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|F<1>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6]2F)	108.7245	0.325	15	108.7599	0.103	17	108.9624	0.521	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	C[6](C[6]C[6]FH)(C[6]N[6]HH)(F)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]N[6]HH)(F)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2F)	109.0480	0.214	2	109.0480	0.046	2	108.9624	0.521	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	H(C[6]C[6]2F)	108.7812	0.164	4	108.7924	0.020	7	108.9624	0.521	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2F)	108.8073	0.136	3	108.7924	0.020	7	108.9624	0.521	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]FH)(F)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<2>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	H(C[6]C[6]2F)	109.3645	0.070	2	109.3645	0.005	2	108.9624	0.521	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2F)	109.1538	0.329	8	109.1538	0.108	8	108.9624	0.521	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H)	C[6](C[6]C[6]FH)(C[6]O[6]CH)(F)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]FH)(C[6]O[6]CH)(F)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2F)	108.8950	0.000	1	108.8950	0.000	1	108.9624	0.521	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H)	C[6](C[6]C[6]FH)2(F)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H){1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]FH)2(F)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2F)	109.1735	0.321	4	109.1735	0.103	4	108.9624	0.521	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2F)	107.9845	0.740	2	107.9845	0.548	2	108.9624	0.521	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]N[6]HH)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)(C[6]N[6]HH)(F)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2F)	109.7600	0.426	2	109.7600	0.181	2	108.9624	0.521	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]O[6]CH)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)(C[6]O[6]CH)(F)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2F)	110.2180	0.000	1	110.2180	0.000	1	108.9624	0.521	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]O[6]CH)(F)(H)	C[6](C[6]C[6]FH)2(F)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)(C[6]O[6]CH)(F)(H){1|C<4>,1|F<1>,1|H<1>}	C[6](C[6]C[6]FH)2(F)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2F)	109.5855	0.699	4	109.5855	0.488	4	108.9624	0.521	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]O[6]HO)(F)(H)	C[6](C[6]C[6]FH)2(F)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)(C[6]O[6]HO)(F)(H){1|C<4>,1|F<1>,1|H<1>}	C[6](C[6]C[6]FH)2(F)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2F)	109.8575	0.427	4	109.8575	0.182	4	108.9624	0.521	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)2(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)2(F)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H){1|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]2F)	109.7650	0.214	4	109.7650	0.046	4	108.9624	0.521	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)2(F)(H)	C[6](C[6]C[6]FH)(C[6]O[6]CH)(F)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)2(F)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]FH)(C[6]O[6]CH)(F)(H){1|C<4>,1|F<1>,1|H<1>}	H(C[6]C[6]2F)	109.8698	0.768	4	109.8698	0.589	4	108.9624	0.521	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)2(F)(H)	C[6](C[6]C[6]FH)(C[6]O[6]HO)(F)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)2(F)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]FH)(C[6]O[6]HO)(F)(H){1|C<4>,1|F<1>,1|H<1>}	H(C[6]C[6]2F)	109.8845	0.784	4	109.8845	0.615	4	108.9624	0.521	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)2(F)(H)	C[6](C[6]C[6]FH)2(F)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)2(F)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]FH)2(F)(H){1|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]2F)	109.7588	0.183	4	108.7947	0.374	29	108.9624	0.521	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)2(F)(H)	C[6](C[6]C[6]FH)2(F)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)2(F)(H){1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]FH)2(F)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2F)	108.4935	0.090	4	108.7947	0.374	29	108.9624	0.521	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)2(F)(H)	C[6](C[6]C[6]FH)2(F)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)2(F)(H){1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]FH)2(F)(H){1|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]2F)	108.6684	0.544	21	108.7947	0.374	29	108.9624	0.521	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	H(C[6]C[6]2F)	109.2160	0.381	4	109.3373	0.096	7	108.9624	0.521	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2F)	109.4990	0.054	3	109.3373	0.096	7	108.9624	0.521	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2F)	108.7445	0.200	2	108.7445	0.040	2	108.9624	0.521	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]FH)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<2>}	H(C[6]C[6]2F)	109.2355	0.255	2	109.2355	0.065	2	108.9624	0.521	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(F)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]FH)(H)2	H(C[6]C[6]2F)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(F)(H){5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]FH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2F)	109.3850	0.000	1	109.3850	0.000	1	109.2527	0.584	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(F)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]FH)(H)2	H(C[6]C[6]2F)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(F)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]FH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2F)	108.9440	0.000	1	108.9440	0.000	1	109.2527	0.584	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(F)(H)	C[6](C[6]C[6,6]HN)(C[6]C[6]FH)(H)2	H(C[6]C[6]2F)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(F)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HN)(C[6]C[6]FH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2F)	108.3740	0.000	1	108.3740	0.000	1	109.2527	0.584	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(F)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]FH)(H)2	H(C[6]C[6]2F)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(F)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]FH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2F)	109.1517	0.422	3	109.1517	0.178	3	109.2527	0.584	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(H)2{1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6]2F)	108.7687	0.167	3	108.7687	0.028	3	109.2527	0.584	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	C[6](C[6]C[6]FH)2(H)2	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|C<1>,1|F<1>,1|H<1>,2|C<4>}	C[6](C[6]C[6]FH)2(H)2{1|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]2F)	109.0730	0.156	2	108.8048	0.113	25	109.2527	0.584	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	C[6](C[6]C[6]FH)2(H)2	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<2>}	C[6](C[6]C[6]FH)2(H)2{1|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]2F)	109.3710	0.072	2	108.8048	0.113	25	109.2527	0.584	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	C[6](C[6]C[6]FH)2(H)2	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	C[6](C[6]C[6]FH)2(H)2{1|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]2F)	108.6593	0.247	4	108.8048	0.113	25	109.2527	0.584	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	C[6](C[6]C[6]FH)2(H)2	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|F<1>,1|H<1>,3|C<4>}	C[6](C[6]C[6]FH)2(H)2{1|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]2F)	108.7408	0.313	17	108.8048	0.113	25	109.2527	0.584	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]FH)(H)2	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]FH)(H)2{1|C<4>,1|F<1>,1|H<1>,3|C<3>}	H(C[6]C[6]2F)	109.0530	0.191	2	109.0530	0.036	2	109.2527	0.584	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2F)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(F)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2F)	112.1595	0.391	2	111.2510	2.553	3	109.2527	0.584	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2F)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(F)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2F)	109.4340	0.000	1	111.2510	2.553	3	109.2527	0.584	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2F)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2F)	109.9611	0.460	9	110.0148	0.217	10	109.2527	0.584	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2F)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2F)	110.4980	0.000	1	110.0148	0.217	10	109.2527	0.584	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2F)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(H)2{1|C<4>,1|F<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2F)	109.4330	0.000	1	109.4330	0.000	1	109.2527	0.584	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]FH)(H)2	H(C[6]C[6]2F)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]FH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2F)	109.3165	0.045	2	109.3165	0.002	2	109.2527	0.584	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2F)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(F)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2F)	110.0920	0.000	1	109.5110	0.675	2	109.2527	0.584	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2F)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(F)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2F)	108.9300	0.000	1	109.5110	0.675	2	109.2527	0.584	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2F)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2F)	109.4370	0.000	1	109.3230	0.026	2	109.2527	0.584	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2F)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2F)	109.2090	0.000	1	109.3230	0.026	2	109.2527	0.584	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(F)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]FH)(H)2	H(C[6]C[6]2F)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(F)(H){1|Br<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]FH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2F)	108.9550	0.000	1	108.9550	0.000	1	109.2527	0.584	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2F)	C[6](C[6]C[6]HH)2(F)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2F)	109.0267	0.797	4	109.0267	0.636	4	109.2527	0.584	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(F)(H)	C[6](C[6]C[6]FH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2F)	C[6](C[6]C[6]HH)2(F)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2F)	109.4680	0.000	1	109.7100	0.117	2	109.2527	0.584	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(F)(H)	C[6](C[6]C[6]FH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2F)	C[6](C[6]C[6]HH)2(F)(H){1|N<4>,4|H<1>}	C[6](C[6]C[6]FH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2F)	109.9520	0.000	1	109.7100	0.117	2	109.2527	0.584	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(F)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]FH)(H)2	H(C[6]C[6]2F)	C[6](C[6]C[6]HH)2(F)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]FH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2F)	109.4210	0.000	1	109.4210	0.000	1	109.2527	0.584	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2F)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(F)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2F)	109.1165	0.255	2	109.1165	0.065	2	109.2527	0.584	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(F)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]FH)(H)2	H(C[6]C[6]2F)	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(F)(H){2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]FH)(H)2{1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2F)	109.4690	0.000	1	109.4690	0.000	1	109.2527	0.584	67	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)(H)	C[6](C[6]C[6]FH)(N[6]C[6]HH)(H)2	H(C[6]C[6]2F)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]FH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2F)	109.2140	0.000	1	109.2140	0.000	1	109.2140	0.000	1	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	B[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[5,6]HH)(C[6]C[6]HH)(H)2	C[6](B[5,6]N[6]O[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]B[5,6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|H<1>,2|O<2>}	C[6](B[5,6]N[6]O[5]2)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.9125	1.542	2	109.9125	2.378	2	109.9125	2.378	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[6,6]HH)(C[6]C[6]HH)(H)2	C[6](B[6,6]N[6,6]C[6]Cr)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]B[6,6]HH)(C[6]C[6]HH)(H)2{1|Cr<9>,1|C<4>,1|N<4>,2|H<1>}	C[6](B[6,6]N[6,6]C[6]Cr)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3850	0.053	4	109.3850	0.003	4	109.9433	2.134	6	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[6,6]HH)(C[6]C[6]HH)(H)2	C[6](B[6,6]N[6]O[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]B[6,6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|H<1>,2|O<2>}	C[6](B[6,6]N[6]O[6]2)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2H)	111.0600	2.630	2	111.0600	6.919	2	109.9433	2.134	6	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2	C[6](B[6]C[6a]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.0800	0.035	2	109.0800	0.001	2	110.2769	4.017	20	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2	C[6](B[6]C[6a]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>}	C[6](B[6]C[6a]2O[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.8500	0.023	2	109.8500	0.001	2	110.2769	4.017	20	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2	C[6](B[6]N[6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	C[6](B[6]N[6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	113.3580	5.797	2	111.7040	10.034	6	110.2769	4.017	20	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2	C[6](B[6]N[6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	C[6](B[6]N[6]HH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.7885	1.494	2	111.7040	10.034	6	110.2769	4.017	20	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2	C[6](B[6]N[6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	C[6](B[6]N[6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.9655	2.469	2	111.7040	10.034	6	110.2769	4.017	20	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2	C[6](B[6]N[6]OO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|H<1>,2|O<2>}	C[6](B[6]N[6]OO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.1538	1.494	4	110.1538	2.233	4	110.2769	4.017	20	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]B[6]HH)(H)2	C[6](B[6]C[5,6]C[6a]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]B[6]HH)(H)2{1|Ir<10>,2|C<3>,2|C<4>}	C[6](B[6]C[5,6]C[6a]2)(C[6]C[6]HH)(H)2{1|Ir<10>,2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.5353	0.085	4	109.4732	0.014	6	110.2769	4.017	20	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]B[6]HH)(H)2	C[6](B[6]C[5,6]C[6a]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]B[6]HH)(H)2{1|Zr<15>,2|C<3>,2|C<4>}	C[6](B[6]C[5,6]C[6a]2)(C[6]C[6]HH)(H)2{1|Zr<15>,2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.3490	0.000	2	109.4732	0.014	6	110.2769	4.017	20	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,5,5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,5,5,6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6]C[6]HH)(H)2{1|Sn<4>,1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3465	0.372	4	109.3465	0.139	4	109.3465	0.139	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[5,6]HH)(H)2	C[6](C[3,6,6]C[3,5,6,6]C[3]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6,6]HH)(C[6]C[5,6]HH)(H)2{5|C<4>}	C[6](C[3,6,6]C[3,5,6,6]C[3]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.1775	0.943	2	109.1775	0.888	2	109.1977	0.317	59	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.8905	0.060	2	109.8905	0.004	2	109.1977	0.317	59	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[3,6,6]C[3,6,6]C[6]N[3])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]N[3])(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3353	0.243	4	109.3353	0.059	4	109.1977	0.317	59	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6574	1.000	10	108.6574	1.001	10	109.1977	0.317	59	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.6885	0.399	4	109.5927	0.274	6	109.1977	0.317	59	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4010	0.884	2	109.5927	0.274	6	109.1977	0.317	59	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[3,6,6]C[3,6]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[3,6,6]C[3,6]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3315	0.067	2	109.3315	0.005	2	109.1977	0.317	59	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5635	0.023	2	109.5635	0.001	2	109.1977	0.317	59	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HN)(H)2	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,3|C<4>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9525	0.025	2	109.0587	0.011	9	109.1977	0.317	59	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HN)(H)2	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HN)(H)2{5|C<4>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|N<3>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0890	0.097	7	109.0587	0.011	9	109.1977	0.317	59	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7515	0.016	2	109.3127	0.039	20	109.1977	0.317	59	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2639	0.135	18	109.3127	0.039	20	109.1977	0.317	59	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]N[5,6]HH)(H)2	C[6](C[3,6,6]C[3,5,6,6]C[3]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6,6]HH)(C[6]N[5,6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[3,6,6]C[3,5,6,6]C[3]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.7415	0.268	2	108.7415	0.072	2	109.1977	0.317	59	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,5]C[6]O)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,5]C[6]O)(C[6]C[3,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.7005	0.013	2	108.7005	0.000	2	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[4,6]CC)(H)2	C[6](C[3,6]C[3,4,6]C[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[4,6]CC)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[3,6]C[3,4,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9257	0.046	4	108.9257	0.002	4	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HH)(H)2	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2325	0.016	2	108.5187	0.384	6	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HH)(H)2	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.1617	0.360	4	108.5187	0.384	6	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HO)(H)2	C[6](C[3,6]C[3,5,6]O[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,5,6]O[3]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	110.1093	0.798	4	110.1093	0.637	4	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6,6]CC)(H)2	C[6](C[3,6]C[3,6,6]C[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6,6]CC)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[3,6]C[3,6,6]C[3]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2985	0.021	2	109.2985	0.000	2	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6,6]CH)(H)2	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.8025	0.022	2	108.8025	0.000	2	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9670	0.018	2	108.9670	0.000	2	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6,6]HO)(H)2	C[6](C[3,6]C[3,6,6]O[3]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6,6]HO)(H)2{1|O<2>,4|C<4>}	C[6](C[3,6]C[3,6,6]O[3]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	110.2955	0.012	2	110.2955	0.000	2	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]2C)(H)2	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]2C)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.6870	0.047	2	108.6870	0.002	2	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]2H)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]2H)(H)2{3|H<1>,5|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{2|C<4>,2|F<1>,5|H<1>}	H(C[6]C[6]2H)	109.1960	0.045	4	109.1960	0.002	4	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CC)(H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<4>,1|I<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0446	0.135	7	109.0807	0.027	15	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CC)(H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	108.8105	0.008	2	109.0807	0.027	15	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CC)(H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2130	0.037	6	109.0807	0.027	15	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CC)(H)2	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CC)(H)2{1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.2780	0.018	2	109.2780	0.000	2	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2{2|Cl<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4120	0.034	2	109.4120	0.001	2	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4680	0.052	2	108.7403	0.707	4	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,4|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.0125	0.012	2	108.7403	0.707	4	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{1|B<3>,1|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{2|Cl<1>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.0010	0.077	5	108.8511	0.109	8	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{2|Cl<1>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.8540	0.000	1	108.8511	0.109	8	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{1|O<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{2|Cl<1>,1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.4750	0.588	2	108.8511	0.109	8	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.9080	0.000	1	108.9080	0.000	1	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	105.9790	0.451	2	108.7992	1.362	15	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.2331	0.207	13	108.7992	1.362	15	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2290	0.011	2	109.3935	0.037	4	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5580	0.035	2	109.3935	0.037	4	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2{2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4440	0.014	2	109.4190	0.001	4	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2{1|C<4>,1|I<1>,4|H<1>}	H(C[6]C[6]2H)	109.3940	0.017	2	109.4190	0.001	4	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	110.0600	0.683	2	109.4034	0.176	32	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{2|Br<1>,1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.3600	0.006	2	109.4034	0.176	32	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{2|Cl<1>,1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.5300	0.924	4	109.4034	0.176	32	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4375	0.005	2	109.4034	0.176	32	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2115	0.015	2	109.4034	0.176	32	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.1685	0.084	6	109.4034	0.176	32	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4235	0.087	4	109.4034	0.176	32	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7725	0.045	2	109.4034	0.176	32	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|F<1>,2|H<1>}	H(C[6]C[6]2H)	109.5225	0.018	2	109.4034	0.176	32	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|I<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5480	0.058	2	109.4034	0.176	32	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|Ti<13>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5652	0.137	4	109.4034	0.176	32	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[6]2H)	109.4315	0.446	2	109.5010	0.114	3	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>}	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[6]2H)	109.6400	0.000	1	109.5010	0.114	3	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.9550	1.100	2	108.2262	2.794	5	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[6]2H)	107.0737	0.036	3	108.2262	2.794	5	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4060	0.023	2	109.4060	0.001	2	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,6]P[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[3,6]C[3,6]P[3]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,1|W<6>,3|H<1>}	H(C[6]C[6]2H)	108.7548	0.241	4	108.7548	0.058	4	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,6|H<1>}	H(C[6]C[6]2H)	109.3290	0.205	4	109.3290	0.042	4	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.5720	0.000	1	109.5720	0.000	1	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[6]O[3]P[3])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,1|P<4>,2|H<1>}	C[6](C[3,6]C[6]O[3]P[3])(C[6]C[6]HH)(H)2{1|W<6>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8419	0.592	8	108.8419	0.350	8	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[3,6]Nb[3]C[6]N[3])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|Nb<5>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[3,6]Nb[3]C[6]N[3])(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.4157	0.083	3	109.4157	0.007	3	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(H)2	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.1647	1.993	6	109.1647	3.974	6	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]O[6]HH)(H)2	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.8910	0.027	2	109.8910	0.001	2	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]O[6]HH)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,5|H<1>}	H(C[6]C[6]2H)	109.9460	0.000	1	109.9460	0.000	1	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2{2|Cl<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.1605	0.019	2	108.8480	0.366	6	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2{2|Br<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3640	0.052	2	108.8480	0.366	6	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2{2|Cl<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0195	0.538	2	108.8480	0.366	6	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	110.3350	3.363	2	109.6113	3.951	9	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.8785	3.581	2	109.6113	3.951	9	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8150	0.100	5	109.6113	3.951	9	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[5a,6]C[3]O[3])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HO)(C[6]C[3,6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>}	C[6](C[3,6]C[5a,6]C[3]O[3])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.0985	0.012	2	109.0985	0.000	2	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[6,6a]C[3]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[3,6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[3,6]C[6,6a]C[3]2)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.7805	0.021	2	109.7805	0.000	2	109.1506	0.730	175	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x5,3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[3x5,3x6]C[3x5,3x6]2C[5,5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x5,3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[3x5,3x6]C[3x5,3x6]2C[5,5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.2065	0.044	4	109.2065	0.002	4	109.2065	0.002	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[5,6])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	110.3575	1.488	2	110.3575	2.216	2	109.9997	1.492	3	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[4x5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[4x5])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.2840	0.000	1	109.2840	0.000	1	109.9997	1.492	3	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[3x6]HH)(H)2	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HO)(C[6]C[3x6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[6]2H)	109.6350	0.000	1	109.6350	0.000	1	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]CH)(C[6]C[3x6]HH)(H)2	C[6](C[3x6]C[4x6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CH)(C[6]C[3x6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[3x6]C[4x6]C[6,6]O)(C[6]C[6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6]2H)	109.0195	0.012	2	109.0195	0.000	2	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]CH)(C[6]C[3x6]HH)(H)2	C[6](C[3x6]C[5,4x6]C[3x6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CH)(C[6]C[3x6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[3x6]C[5,4x6]C[3x6]C)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6]2H)	108.6890	0.008	2	108.6890	0.000	2	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[5,6]CH)(H)2	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[5,6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.9110	0.023	2	108.9110	0.001	2	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HH)(H)2	C[6](C[3x6]C[5,4x6]C[4x6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[3x6]C[5,4x6]C[4x6]O)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.8875	0.018	2	109.4737	0.339	10	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HH)(H)2	C[6](C[3x6]C[5,4x6]C[4x6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[3x6]C[5,4x6]C[4x6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.4147	0.704	4	109.4737	0.339	10	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HH)(H)2	C[6](C[3x6]C[5,4x6]C[4x6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[3x6]C[5,4x6]C[4x6]O)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.7975	0.028	2	109.4737	0.339	10	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HH)(H)2	C[6](C[3x6]C[5,4x6]C[4x6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[3x6]C[5,4x6]C[4x6]O)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.8540	0.028	2	109.4737	0.339	10	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HN)(H)2	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|N<3>,3|C<4>}	H(C[6]C[6]2H)	109.3305	0.039	2	109.3305	0.002	2	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HO)(H)2	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1590	0.017	2	109.1590	0.000	2	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]CH)(H)2	C[6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]CH)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.5320	0.008	2	108.5320	0.000	2	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]CO)(H)2	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]CO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[6]2H)	108.5165	0.011	2	108.5165	0.000	2	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6]HH)(H)2{1|N<2>,4|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3995	0.087	2	109.2673	0.026	4	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2{5|C<4>}	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,4|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.1350	0.004	2	109.2673	0.026	4	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.9790	0.010	2	108.9790	0.000	2	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.2640	0.054	6	109.2640	0.003	6	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,7|H<1>}	H(C[6]C[6]2H)	109.3495	0.059	4	109.3495	0.004	4	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HO)(H)2	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,4|C<4>}	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5785	0.021	2	109.5785	0.000	2	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HO)(H)2	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.0800	0.124	9	109.0800	0.015	9	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]CC)(H)2	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<3>,4|C<4>}	H(C[6]C[6]2H)	109.0690	0.007	2	109.0690	0.000	2	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]CH)(H)2	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[6]2H)	108.9246	0.127	8	108.9246	0.016	8	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[3x6]B[3x6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](C[3x6]B[3x6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,5|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4527	0.587	4	109.4527	0.344	4	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9260	0.027	2	108.7302	0.397	10	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2{1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5870	0.127	4	108.7302	0.397	10	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1740	1.650	2	108.7302	0.397	10	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.3770	0.018	2	108.7302	0.397	10	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,4|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.7758	1.400	8	109.7758	1.959	8	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5105	0.060	2	109.5200	0.003	6	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4990	0.042	2	109.5200	0.003	6	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5505	0.073	2	109.5200	0.003	6	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.3030	0.052	4	109.3795	0.008	8	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H)2{1|N<3>,4|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.4560	0.022	4	109.3795	0.008	8	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3415	0.153	4	109.3415	0.023	4	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[3x6]N[6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[3x6]C[3x6]N[6]O[6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1395	0.012	2	109.1395	0.000	2	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[3x6]O[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|O<2>}	C[6](C[3x6]C[3x6]O[6]2)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.1813	0.079	4	109.1813	0.006	4	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[4x6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[3x6]C[4x6]2O)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.5670	0.020	2	109.5370	0.003	3	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[4x6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[3x6]C[4x6]2O)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.4770	0.000	1	109.5370	0.003	3	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4313	0.120	4	109.4556	0.009	14	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4730	0.051	2	109.4556	0.009	14	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4725	0.119	4	109.4556	0.009	14	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4545	0.088	4	109.4556	0.009	14	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2670	0.011	2	108.8498	0.139	6	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.6412	0.241	4	108.8498	0.139	6	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[5,6,6]C[3x6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[3x6]C[5,6,6]C[3x6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.1848	0.152	4	109.1848	0.023	4	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0690	0.042	2	109.3798	0.067	10	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.7575	0.069	2	109.3798	0.067	10	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.4385	0.013	2	109.3798	0.067	10	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(H)2{2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.4655	0.062	2	109.3798	0.067	10	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.1685	0.008	2	109.3798	0.067	10	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[6,6]N[6,6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[3x6]C[6,6]N[6,6]O[6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2357	0.071	3	109.2357	0.005	3	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[6,6]O[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[3x6]C[6,6]O[6,6]C[6])(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4105	0.033	2	109.4105	0.001	2	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[6,6]O[6,6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[3x6]C[6,6]O[6,6]O[6])(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3070	0.034	2	109.3070	0.001	2	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5498	0.162	6	109.5498	0.026	6	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[3x6]N[6,6]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	C[6](C[3x6]N[6,6]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4708	0.099	4	109.4708	0.010	4	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HN)(H)2	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HN)(H)2{2|H<1>,3|C<4>}	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6]HH)(H)2{1|N<4>,5|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.8287	0.090	7	109.8287	0.008	7	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HO)(H)2	C[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.5580	0.000	1	109.5580	0.000	1	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HO)(H)2	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.1183	0.065	8	109.1183	0.004	8	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]N[5,6]HH)(H)2	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]N[5,6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6385	0.029	2	109.6385	0.001	2	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]N[5,6]HH)(H)2	C[6](C[3x6]C[5,3x6]C[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]N[5,6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[3x6]C[5,3x6]C[6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,7|H<1>}	H(C[6]C[6]2H)	109.2585	0.022	2	109.2585	0.000	2	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]N[6,6]HH)(H)2	C[6](C[3x6]C[4x6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]N[6,6]HH)(H)2{1|O<2>,3|C<4>}	C[6](C[3x6]C[4x6]C[6,6]O)(C[6]C[6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.6225	0.049	2	109.6225	0.002	2	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]N[6]CC)(H)2	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]N[6]CC)(H)2{1|C<2>,1|C<3>,2|C<4>}	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,6|C<4>}	H(C[6]C[6]2H)	109.2220	0.006	2	109.4093	0.048	4	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]N[6]CC)(H)2	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]N[6]CC)(H)2{2|C<3>,2|C<4>}	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6]HH)(H)2{1|Rh<4>,1|N<3>,2|H<1>,6|C<4>}	H(C[6]C[6]2H)	109.5965	0.067	2	109.4093	0.048	4	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2	C[6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4050	0.000	1	109.4050	0.000	1	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.1078	0.090	4	109.8426	2.985	12	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.7100	2.151	8	109.8426	2.985	12	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6010	0.000	1	109.6412	0.015	5	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5305	0.011	2	109.6412	0.015	5	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2{1|O<2>,3|C<4>}	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.7720	0.004	2	109.6412	0.015	5	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]O[6]HO)(H)2	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]O[6]HO)(H)2{3|C<4>}	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|O<2>,6|H<1>}	H(C[6]C[6]2H)	109.1185	0.028	4	109.1185	0.001	4	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)2(H)2	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)2(H)2{2|H<1>,3|C<4>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.2375	0.015	4	109.2375	0.000	4	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6,6]HH)(C[6]C[3x6]HH)(H)2	C[6](C[3x6]C[4,3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6,6]HH)(C[6]C[3x6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[3x6]C[4,3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2520	1.236	2	109.3460	0.264	7	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6,6]HH)(C[6]C[3x6]HH)(H)2	C[6](C[3x6]C[4,3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6,6]HH)(C[6]C[3x6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[3x6]C[4,3x6]C[6,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3836	0.089	5	109.3460	0.264	7	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(C[6]C[3x6]HH)(H)2	C[6](C[3x6]C[4x6]N[3x6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HH)(C[6]C[3x6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[3x6]C[4x6]N[3x6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.1850	0.007	2	109.1850	0.000	2	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5]C[6]H)(C[6]C[3x6]HH)(H)2	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5]C[6]H)(C[6]C[3x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6]2H)	108.7820	0.030	2	108.7820	0.001	2	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[3x6]HH)(H)2	C[6](C[3x6]C[6,6,6a]C[5a,6]C[3x6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[3x6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[3x6]C[6,6,6a]C[5a,6]C[3x6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,6|C<3>}	H(C[6]C[6]2H)	109.7905	0.052	2	109.7905	0.003	2	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[3x6]HH)(H)2	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[3x6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.3350	0.000	1	109.3350	0.000	1	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[3x6]HH)(H)2	C[6](C[3x6]C[6,6,6a]C[6,6a]C[3x6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[3x6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[3x6]C[6,6,6a]C[6,6a]C[3x6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,6|C<3>}	H(C[6]C[6]2H)	109.8086	0.095	12	109.8086	0.009	12	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[3x6]HH)(H)2	C[6](C[3x6]C[6,6,6a]O[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[3x6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[3x6]C[6,6,6a]O[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.4790	0.027	2	108.4790	0.001	2	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6,6]CH)(C[6]C[3x6]HH)(H)2	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6,6]CH)(C[6]C[3x6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	107.9225	0.858	6	108.5501	0.982	12	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6,6]CH)(C[6]C[3x6]HH)(H)2	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6,6]CH)(C[6]C[3x6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1777	0.693	6	108.5501	0.982	12	109.3014	0.405	254	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,3x5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,3x5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,3x5,6]C[4,5,5,6,6]C[3x5,6]C[4,5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,3x5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[4,3x5,6]C[4,5,5,6,6]C[3x5,6]C[4,5,6])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	107.5100	1.994	2	107.5100	3.976	2	106.2248	9.410	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,3x5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,3x5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,3x5,6]C[4,5,5,6,6]C[3x5,6]C[4,5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,3x5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[4,3x5,6]C[4,5,5,6,6]C[3x5,6]C[4,5])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	104.9395	4.201	2	104.9395	17.648	2	106.2248	9.410	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,3x6]C[4,6,6]C[4,6]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,3x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[4,3x6]C[4,6,6]C[4,6]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.0245	0.011	2	108.0245	0.000	2	108.5517	0.371	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,3x6]C[6,6,6a]C[4,6,6]C[4,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[6](C[4,3x6]C[6,6,6a]C[4,6,6]C[4,6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.0790	0.027	2	109.0790	0.001	2	108.5517	0.371	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,4,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,4,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,4,5,6]C[4,5,6]N[3,4,4]C[4,5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,4,5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[4,4,5,6]C[4,5,6]N[3,4,4]C[4,5])(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1955	0.042	2	109.1955	0.002	2	109.1955	0.002	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,5,3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,5,3x6]C[4,5,5,6]C[4,6,6]C[5,6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,5,3x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[4,5,3x6]C[4,5,5,6]C[4,6,6]C[5,6,6])(C[6]C[6]HH)(H)2{1|Cl<1>,4|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4752	0.092	6	109.4752	0.008	6	109.4752	0.008	6	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,5,5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,5,5,6,6]C[4,3x5,6]C[4,5,5,6]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[4,5,5,6,6]C[4,3x5,6]C[4,5,5,6]C[5,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	101.2818	3.154	2	101.2818	9.948	2	102.9536	10.268	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,5,5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5,6]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5,6]C[5,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	104.6255	3.111	2	104.6255	9.676	2	102.9536	10.268	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,5,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,5,5,6]C[4,5,6]C[4,5]C[5,5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[4,5,5,6]C[4,5,6]C[4,5]C[5,5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	107.5085	0.613	2	107.5085	0.376	2	107.5085	0.376	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[5,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.6803	0.052	4	108.6803	0.003	4	109.0042	0.254	6	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,5,6,6]C[4,5,6]C[4,6]N[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,5,6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>}	C[6](C[4,5,6,6]C[4,5,6]C[4,6]N[5,6])(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.6520	0.027	2	109.6520	0.001	2	109.0042	0.254	6	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,5,6]C[4,4,5,6]C[3,4,5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[4,5,6]C[4,4,5,6]C[3,4,5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6275	0.016	2	109.6275	0.000	2	109.6448	0.363	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,5,6]C[4,5,5,6]C[4,5,5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[4,5,6]C[4,5,5,6]C[4,5,5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.3700	0.841	2	110.3700	0.708	2	109.6448	0.363	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,5,6]C[4,5,5,6]C[4,5,5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[4,5,6]C[4,5,5,6]C[4,5,5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0975	1.095	2	109.0975	1.200	2	109.6448	0.363	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,5,6]C[4,5,6]C[4,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[4,5,6]C[4,5,6]C[4,6]C[5])(C[6]C[6]HH)(H)2{1|Cl<1>,4|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.7692	0.110	4	109.7692	0.012	4	109.6448	0.363	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,5,6]C[4,5]C[4,6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[4,5,6]C[4,5]C[4,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2350	0.010	2	109.2350	0.000	2	109.6448	0.363	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6,6]HH)(C[6]C[3x6]HH)(H)2	C[6](C[4,6,6]C[4,3x6]C[4,6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6,6]HH)(C[6]C[3x6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[4,6,6]C[4,3x6]C[4,6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.3692	0.068	5	109.3692	0.005	5	109.2902	0.193	25	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6,6]HH)(C[6]C[3x6]HH)(H)2	C[6](C[4,6,6]C[4,5,6,6]C[4,3x6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6,6]HH)(C[6]C[3x6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[4,6,6]C[4,5,6,6]C[4,3x6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9705	0.317	2	108.9705	0.101	2	109.2902	0.193	25	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6,6]HH)(C[6]C[6,6]HO)(H)2	C[6](C[4,6,6]C[4,3x6]C[4]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[4,6,6]C[4,3x6]C[4]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0415	0.045	2	109.0415	0.002	2	109.2902	0.193	25	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,6,6]C[3,4,6]C[6,6]C[4])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[4,6,6]C[3,4,6]C[6,6]C[4])(C[6]C[6]HH)(H)2{5|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3600	0.017	2	109.3600	0.000	2	109.2902	0.193	25	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,6,6]C[4,3x6]C[4,6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[4,6,6]C[4,3x6]C[4,6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.0425	0.076	2	108.0425	0.006	2	109.2902	0.193	25	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[4,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.6532	0.050	6	109.6532	0.003	6	109.2902	0.193	25	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,6,6]C[4,6]C[6,6]N[4,5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	C[6](C[4,6,6]C[4,6]C[6,6]N[4,5])(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3480	0.021	2	109.3480	0.000	2	109.2902	0.193	25	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,6,6]C[4,6]C[6,6]N[4,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	C[6](C[4,6,6]C[4,6]C[6,6]N[4,6])(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4915	0.115	4	109.4915	0.013	4	109.2902	0.193	25	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:Cl-1:Cl-1:	C[6]-4:	C[6](C[6]C[4,6]Cl2)(C[6]C[6]ClH)(H)2	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(Cl)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]Cl2)(C[6]C[6]ClH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(Cl)2{1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.2730	0.049	2	109.2730	0.002	2	109.2730	0.002	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[4,6]FH)(H)2	C[6](C[4,6]C[6,6a]C[4]2)(C[6]C[6]HH)(F)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[4,6]FH)(H)2{2|C<3>,2|C<4>}	C[6](C[4,6]C[6,6a]C[4]2)(C[6]C[6]HH)(F)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.5020	0.034	2	109.5020	0.001	2	109.5020	0.001	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(H)2	C[6](C[4,6]C[4,5,6]C[4,5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[4,6]C[4,5,6]C[4,5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3620	1.424	2	109.3620	2.028	2	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(H)2	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4725	0.030	2	109.4725	0.001	2	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(H)2	C[6](C[4,6]C[4,5,6]N[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[4,6]C[4,5,6]N[4]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7095	0.187	4	109.7095	0.035	4	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6,6]HI)(H)2	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6,6]HI)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]HH)(H)2{1|I<1>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8478	0.066	4	108.8478	0.004	4	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]BrH)(H)2	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]BrH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5390	0.013	2	109.5390	0.000	2	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(H)2	C[6](C[4,6]C[3,4,6]C[4,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[4,6]C[3,4,6]C[4,6]O)(C[6]C[6]HH)(H)2{1|C<3>,5|C<4>}	H(C[6]C[6]2H)	108.6937	0.040	3	108.6937	0.002	3	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]CH)(H)2	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7630	0.008	2	108.7630	0.000	2	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]CH)(H)2	C[6](C[4,6]C[4]C[6]N[4])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4]C[6]N[4])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0908	0.175	11	109.0908	0.031	11	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]CO)(H)2	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]CO)(H)2{2|C<4>,3|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{2|Cl<1>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.9398	0.078	4	108.9398	0.006	4	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[3,4,6]C[4,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[4,6]C[3,4,6]C[4,6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.7840	5.076	2	108.7840	25.762	2	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.5785	0.134	4	109.5785	0.018	4	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4,5,6]C[4]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4,5,6]C[4]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9505	1.102	4	108.9505	1.214	4	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4,5]C[4,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[4,6]C[4,5]C[4,6]C)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6310	0.000	1	109.6310	0.000	1	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2H)	107.3945	1.947	4	108.6119	4.381	8	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4460	2.526	2	108.6119	4.381	8	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.2125	0.681	2	108.6119	4.381	8	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4,5]C[4]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[4,6]C[4,5]C[4]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,7|H<1>}	H(C[6]C[6]2H)	109.4747	0.029	3	109.4747	0.001	3	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8435	0.943	2	110.0182	0.713	4	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.1930	1.062	2	110.0182	0.713	4	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[4,6]C[4,6]2C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2H)	111.5840	0.286	2	111.5840	0.082	2	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5162	1.013	4	109.7111	1.645	14	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5040	1.141	2	109.7111	1.645	14	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.6140	1.645	4	109.7111	1.645	14	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2H)	110.1065	1.631	4	109.7111	1.645	14	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	111.2070	0.847	2	109.4989	2.637	10	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.3940	0.638	2	109.4989	2.637	10	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2195	2.814	2	109.4989	2.637	10	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.3370	0.753	4	109.4989	2.637	10	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4,6]2S)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[4,6]C[4,6]2S)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	106.9640	2.096	2	106.9640	4.393	2	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4,6]B[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,1|C<4>,3|H<1>}	C[6](C[4,6]C[4,6]B[4]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.7065	0.005	2	108.7065	0.000	2	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0320	0.000	1	109.3600	0.081	3	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5240	0.018	2	109.3600	0.081	3	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6510	0.030	2	109.3336	0.100	16	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1155	0.042	2	109.3336	0.100	16	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.8810	0.017	3	109.3336	0.100	16	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3972	0.303	4	109.3336	0.100	16	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7630	0.000	1	109.3336	0.100	16	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5745	0.012	2	109.3336	0.100	16	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3305	0.009	2	109.3336	0.100	16	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(H)2{1|S<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3685	0.035	2	109.3685	0.001	2	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4,6]N[4,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[4,6]C[4,6]N[4,6]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7795	0.088	2	108.7795	0.008	2	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4,6]N[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[4,6]C[4,6]N[4]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.9330	0.021	2	108.9330	0.000	2	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4]C[6]N[4])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4]C[6]N[4])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.3877	0.167	4	109.3877	0.028	4	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4]C[6]O[4])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4]C[6]O[4])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.0075	0.073	4	109.0075	0.005	4	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,6]N[4,6]C[4]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[4,6]N[4,6]C[4]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.4240	0.010	2	109.4240	0.000	2	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3410	0.045	5	109.4031	0.013	7	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,4|H<1>}	H(C[6]C[6]2H)	109.5585	0.028	2	109.4031	0.013	7	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HO)(H)2	C[6](C[4,6]C[4]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[4,6]C[4]2C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.1582	0.027	4	109.1582	0.001	4	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]N[5,6]HH)(H)2	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]N[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.5955	0.008	2	109.5955	0.000	2	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]O[6]HH)(H)2	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,5|H<1>}	H(C[6]C[6]2H)	109.8885	0.025	2	109.8885	0.001	2	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[4,6]HH)(H)2	C[6](C[4,6]C[6,6a]C[4]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[4,6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[4,6]C[6,6a]C[4]2)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.8800	0.000	1	109.8800	0.000	1	109.2895	1.109	141	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:O-1:	C[6]-4:	C[6](C[6]C[4,6]HO)(C[6]O[6]HH)(H)2	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HO)(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>}	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(H)(O){1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0075	2.070	2	109.0075	4.284	2	109.0075	4.284	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[5,6]CH)(H)2	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[5,6]CH)(H)2{2|C<3>,2|C<4>}	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.3123	0.536	6	108.3123	0.287	6	109.2791	0.544	70	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]CC)(H)2	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.9847	0.112	4	108.9847	0.013	4	109.2791	0.544	70	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]CH)(H)2	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2554	0.127	17	109.2554	0.016	17	109.2791	0.544	70	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5940	0.035	2	109.5940	0.001	2	109.2791	0.544	70	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8190	0.028	2	109.4771	0.134	7	109.2791	0.544	70	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.9655	0.018	2	109.4771	0.134	7	109.2791	0.544	70	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.6250	0.028	2	109.4771	0.134	7	109.2791	0.544	70	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.5210	0.000	1	109.4771	0.134	7	109.2791	0.544	70	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5565	0.203	4	109.5565	0.041	4	109.2791	0.544	70	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,2|C<2>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	107.7880	2.382	2	107.7880	5.672	2	109.2791	0.544	70	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	C[6](C[4x6]C[5,6,6]2C[3x6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[4x6]C[5,6,6]2C[3x6])(C[6]C[6]HH)(H)2{3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5210	0.024	2	109.5210	0.001	2	109.2791	0.544	70	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	C[6](C[4x6]C[5x6]C[6,6]O[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[4x6]C[5x6]C[6,6]O[6,6])(C[6]C[6]HH)(H)2{3|H<1>,6|C<4>}	H(C[6]C[6]2H)	110.0390	0.386	2	110.0390	0.149	2	109.2791	0.544	70	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	C[6](C[4x6]C[6,6,6a]C[3x6]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[4x6]C[6,6,6a]C[3x6]C[6,6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2940	0.030	2	109.2940	0.001	2	109.2791	0.544	70	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	C[6](C[4x6]C[6,6]2N[3x6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[4x6]C[6,6]2N[3x6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3930	0.030	4	109.3930	0.001	4	109.2791	0.544	70	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]HO)(H)2	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2450	0.016	2	109.2450	0.000	2	109.2791	0.544	70	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]HO)(H)2	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6391	1.508	7	109.6391	2.273	7	109.2791	0.544	70	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]N[5,6]HH)(H)2	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]N[5,6]HH)(H)2{4|C<4>}	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,7|H<1>}	H(C[6]C[6]2H)	109.5680	0.508	6	109.5680	0.258	6	109.2791	0.544	70	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[4x6]HH)(H)2	C[6](C[4x6]N[5a,6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[4x6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[4x6]N[5a,6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4670	0.206	3	109.4670	0.043	3	109.2791	0.544	70	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x3,3x5,14x6]HH)(C[6]C[5,3x6]HH)(H)2	C[6](C[5,3x6]B[3x3,4x5,15x6]B[5,6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x3,3x5,14x6]HH)(C[6]C[5,3x6]HH)(H)2{1|B<3>,1|B<5>,1|H<1>,3|B<6>}	C[6](C[5,3x6]B[3x3,4x5,15x6]B[5,6,6]H)(C[6]C[6]HH)(H)2{1|B<5>,1|C<5>,1|O<2>,3|B<6>,3|H<1>}	H(C[6]C[6]2H)	109.6485	0.011	2	109.6485	0.000	2	109.1742	1.894	25	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(C[6]C[3x6]HH)(H)2	C[6](C[5,3x6]C[5,4x6]C[4x6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HH)(C[6]C[3x6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[5,3x6]C[5,4x6]C[4x6]O[5])(C[6]C[6]HH)(H)2{3|H<1>,6|C<4>}	H(C[6]C[6]2H)	109.2085	0.006	2	109.2085	0.000	2	109.1742	1.894	25	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(C[6]C[5,6]HH)(H)2	C[6](C[5,3x6]C[5,4x6]C[3x6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,3x6]C[5,4x6]C[3x6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.2190	0.044	2	109.2190	0.002	2	109.1742	1.894	25	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(H)2{5|C<4>}	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5,6])(C[6]C[6]HH)(H)2{1|N<3>,5|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.0930	0.051	2	109.0930	0.003	2	109.1742	1.894	25	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.1060	0.008	2	109.1060	0.000	2	109.1742	1.894	25	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,3x6]C[5,3x6]C[3x6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,3x6]C[5,3x6]C[3x6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.1510	0.016	2	109.1510	0.000	2	109.1742	1.894	25	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,3x6]C[5,4x6]C[3x6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,3x6]C[5,4x6]C[3x6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.8793	0.063	6	108.8793	0.004	6	109.1742	1.894	25	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,3x6]C[5,6,6]C[4x6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,3x6]C[5,6,6]C[4x6]C[5])(C[6]C[6]HH)(H)2{3|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	106.3075	2.613	2	106.3075	6.827	2	109.1742	1.894	25	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{2|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5135	0.015	2	109.5135	0.000	2	109.1742	1.894	25	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,3x6]C[5,6,6]C[6,6]O[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,3x6]C[5,6,6]C[6,6]O[5,6])(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.5240	0.000	1	109.5240	0.000	1	109.1742	1.894	25	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,3x6]C[5a,6,6]C[5,6,6]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,3x6]C[5a,6,6]C[5,6,6]C[5,6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	112.0300	2.124	2	112.0300	4.512	2	109.1742	1.894	25	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,4x6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,4x6]C[5,3x6]C[4x6]O[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,4x6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,4x6]C[5,3x6]C[4x6]O[5,6])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.9134	0.103	8	108.9134	0.011	8	108.9715	0.023	10	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,4x6]HH)(C[6]N[6]HH)(H)2	C[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,4x6]HH)(C[6]N[6]HH)(H)2{4|C<4>}	C[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.2040	0.031	2	109.2040	0.001	2	108.9715	0.023	10	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,3x6]HH)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[5,3x6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,3x6]HH)(C[6]C[5,6,6]HH)(H)2{5|C<4>}	C[6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[5,3x6])(C[6]C[6]HH)(H)2{1|N<3>,5|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3905	0.010	4	109.3905	0.000	4	109.3905	0.000	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]BrH)(C[6]C[6]HH)(H)2	C[6](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,5])(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]BrH)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,5])(C[6]C[6]HH)(Br)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	107.8505	1.582	2	107.8505	2.502	2	107.8505	2.502	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]CH)(H)2	C[6](C[5,5,6,6]C[3x5,6]C[5,6]O[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]CH)(H)2{1|O<2>,4|C<4>}	C[6](C[5,5,6,6]C[3x5,6]C[5,6]O[5,6])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	H(C[6]C[6]2H)	109.2275	0.042	2	109.2275	0.002	2	109.1260	1.895	32	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]CO)(H)2	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]CO)(H)2{1|H<1>,4|C<4>}	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|O<2>,6|C<4>}	H(C[6]C[6]2H)	108.7415	0.063	2	108.7415	0.004	2	109.1260	1.895	32	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,5,6,6]C[3x5,6]C[5,6,6]O[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,5,6,6]C[3x5,6]C[5,6,6]O[5,6])(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,5|C<4>}	H(C[6]C[6]2H)	108.9575	1.019	2	108.9575	1.038	2	109.1260	1.895	32	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,5,6,6]C[5,5,6,6]N[5,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	C[6](C[5,5,6,6]C[5,5,6,6]N[5,6]2)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<3>,3|C<4>}	H(C[6]C[6]2H)	108.8742	0.075	4	108.8742	0.006	4	109.1260	1.895	32	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5500	0.025	2	109.5500	0.001	2	109.1260	1.895	32	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,5,6,6]C[5,5,6]C[5,6]O[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,5,6,6]C[5,5,6]C[5,6]O[5,6])(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.6695	0.047	2	109.6695	0.002	2	109.1260	1.895	32	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,5,6,6]C[5,5,6]N[5,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	C[6](C[5,5,6,6]C[5,5,6]N[5,6]2)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<3>,3|C<4>}	H(C[6]C[6]2H)	109.0620	0.020	2	109.0620	0.000	2	109.1260	1.895	32	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,5,6,6]C[5,6,6]2C[5,5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[5,5,6,6]C[5,6,6]2C[5,5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.6500	0.023	2	109.6500	0.001	2	109.1260	1.895	32	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5755	0.012	2	109.4393	0.026	4	109.1260	1.895	32	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3030	0.066	2	109.4393	0.026	4	109.1260	1.895	32	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,5,6,6]C[5,6,6]C[5,5]O[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,5,6,6]C[5,6,6]C[5,5]O[5,6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,6|C<4>}	H(C[6]C[6]2H)	108.8900	0.014	2	108.8900	0.000	2	109.1260	1.895	32	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,5,6,6]C[5,6,6]O[5,5]O[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,5,6,6]C[5,6,6]O[5,5]O[5,6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	105.7645	4.651	2	105.7645	21.628	2	109.1260	1.895	32	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]N[5,6,6]HH)(H)2	C[6](C[5,5,6,6]C[5,5,4x6]C[5,5,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HH)(C[6]N[5,6,6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[5,5,6,6]C[5,5,4x6]C[5,5,6]C[6])(C[6]C[6]HH)(H)2{1|N<4>,1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.9605	0.008	2	108.9605	0.000	2	109.1260	1.895	32	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,2|N<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	110.4580	1.092	4	110.4580	1.193	4	109.1260	1.895	32	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3625	0.015	2	109.3625	0.000	2	109.1153	0.417	210	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6,6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.1085	4.607	2	108.1085	21.223	2	109.1153	0.417	210	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CH)(H)2	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8840	0.000	1	108.8840	0.000	1	109.1153	0.417	210	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CH)(H)2	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7975	0.050	4	108.7975	0.002	4	109.1153	0.417	210	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CO)(H)2	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CO)(H)2{1|H<1>,4|C<4>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,4|H<1>,6|C<4>}	H(C[6]C[6]2H)	108.9170	0.008	2	108.9170	0.000	2	109.1153	0.417	210	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CP)(H)2	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CP)(H)2{1|H<1>,4|C<4>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|P<4>,4|H<1>,6|C<4>}	H(C[6]C[6]2H)	108.6513	0.020	4	108.6513	0.000	4	109.1153	0.417	210	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(H)2	C[6](C[5,5,6]C[5,5,6]C[5,5]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(H)2{1|S<2>,4|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5,5]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	108.5690	0.151	4	108.5690	0.023	4	109.1153	0.417	210	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(H)2	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>}	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.4150	1.348	2	108.4150	1.816	2	109.1153	0.417	210	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HO)(H)2	C[6](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.4281	0.383	8	108.4281	0.146	8	109.1153	0.417	210	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>,4|C<4>}	H(C[6]C[6]2H)	109.4410	0.010	2	109.7878	0.160	4	109.1153	0.417	210	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,2|N<3>}	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2{1|H<1>,4|C<3>,4|C<4>}	H(C[6]C[6]2H)	110.1345	0.012	2	109.7878	0.160	4	109.1153	0.417	210	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,5,6]C[4,5,5]C[5,5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,5,6]C[4,5,5]C[5,5,6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.8858	0.223	4	108.8858	0.050	4	109.1153	0.417	210	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]O)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3620	0.033	2	109.3620	0.001	2	109.1153	0.417	210	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,5,6]C[5,5,6,6]C[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,5,6]C[5,5,6,6]C[5]2)(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5825	0.045	2	109.5825	0.002	2	109.1153	0.417	210	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,5,6]C[5,5,6,6]C[5]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[5]O[5])(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.3150	0.000	1	109.3150	0.000	1	109.1153	0.417	210	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,5,6]C[5,5,6,6]N[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	C[6](C[5,5,6]C[5,5,6,6]N[5]2)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<3>,3|C<4>}	H(C[6]C[6]2H)	108.8135	0.019	2	108.8135	0.000	2	109.1153	0.417	210	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,5,6]C[5,5,6]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,5,6]C[5,5,6]2O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.8295	0.018	2	109.8295	0.000	2	109.1153	0.417	210	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	111.6520	1.775	2	111.6520	3.150	2	109.1153	0.417	210	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,5,6]C[5,5,6]C[5,6a]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.3072	0.387	4	109.3072	0.150	4	109.1153	0.417	210	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,5,6]C[5,5,6]C[5,6a]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.4125	0.553	4	109.4125	0.305	4	109.1153	0.417	210	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.0190	0.007	2	109.3100	0.077	10	109.1153	0.417	210	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2{1|N<4>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.3828	0.261	8	109.3100	0.077	10	109.1153	0.417	210	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,5,6]C[5,5,6]C[5]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,2|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]N[5])(C[6]C[6]HH)(H)2{2|Br<1>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1845	0.092	4	109.1845	0.008	4	109.1153	0.417	210	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.8730	0.000	1	108.8730	0.000	1	109.1153	0.417	210	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	108.6805	0.056	2	109.0347	0.110	111	109.1153	0.417	210	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<3>,3|C<4>}	H(C[6]C[6]2H)	109.0097	0.196	107	109.0347	0.110	111	109.1153	0.417	210	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>,4|C<4>}	H(C[6]C[6]2H)	110.7265	1.422	2	109.0347	0.110	111	109.1153	0.417	210	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.2915	0.012	2	108.6754	0.151	5	109.1153	0.417	210	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.7970	0.065	2	108.6754	0.151	5	109.1153	0.417	210	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2000	0.000	1	108.6754	0.151	5	109.1153	0.417	210	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,5,6]C[5,5]N[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,5,6]C[5,5]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.9629	0.442	8	109.9473	0.153	10	109.1153	0.417	210	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,5,6]C[5,5]N[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,5,6]C[5,5]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.8850	0.018	2	109.9473	0.153	10	109.1153	0.417	210	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.0078	0.059	4	109.0078	0.003	4	109.1153	0.417	210	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3020	0.000	1	109.3020	0.000	1	109.1153	0.417	210	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,2|N<3>}	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>,4|C<3>}	H(C[6]C[6]2H)	110.2005	2.013	2	110.2005	4.053	2	109.1153	0.417	210	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]N[6]HH)(H)2	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.5120	0.004	2	109.5120	0.000	2	109.1153	0.417	210	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]O[6]HH)(H)2	C[6](C[5,5,6]C[3,5,5]C[3x5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[5,5,6]C[3,5,5]C[3x5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.4225	0.031	4	109.4225	0.001	4	109.1153	0.417	210	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]ClH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[3x6]C[5])(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]ClH)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6,6]C[5,6,6]C[3x6]C[5])(C[6]C[6]HH)(Cl)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8840	0.000	1	108.8840	0.000	1	108.8840	0.000	1	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,3x6]HH)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,5,3x6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,3x6]HH)(C[6]C[5,6,6]HH)(H)2{5|C<4>}	C[6](C[5,6,6]C[5,5,3x6]C[5,6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3640	0.025	4	109.3640	0.001	4	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]CH)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]CH)(C[6]C[5,6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.6820	0.000	1	108.6820	0.000	1	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4455	0.032	2	109.4455	0.001	2	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6,6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.0430	2.243	2	110.0430	5.031	2	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6,6]HO)(H)2	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6,6]HO)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5838	0.141	4	109.5838	0.020	4	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]BrH)(H)2	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]BrH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2{1|Br<1>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2520	0.016	2	109.2520	0.000	2	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]CC)(H)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]CC)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.7725	0.030	4	108.8451	0.014	23	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]CC)(H)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]CC)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.8604	0.126	19	108.8451	0.014	23	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]CH)(H)2	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]CH)(H)2{5|C<4>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>,3|O<2>}	H(C[6]C[6]2H)	109.2090	0.028	2	109.2090	0.001	2	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]CO)(H)2	C[6](C[5,6,6]C[5,6]2C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]CO)(H)2{1|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,6]2C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>,6|C<4>}	H(C[6]C[6]2H)	108.9085	0.040	2	108.9085	0.002	2	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.8460	1.294	2	110.8460	1.674	2	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.7355	0.087	2	108.7355	0.008	2	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	108.8505	0.006	2	108.8505	0.000	2	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[6,6a]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6,6a]N[5])(C[6]C[6]HH)(H)2{1|S<4>,2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.9590	0.000	1	108.9590	0.000	1	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]N[5,6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]N[5,6,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1475	0.006	2	109.1475	0.000	2	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.0246	0.120	5	109.0283	0.010	7	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.0375	0.008	2	109.0283	0.010	7	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6,6]N[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6](C[5,6,6]N[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.8010	0.021	2	108.8010	0.000	2	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HO)(H)2	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HO)(H)2{1|O<2>,4|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6]HH)(H)2{1|H<1>,2|O<2>,6|C<4>}	H(C[6]C[6]2H)	108.5320	0.000	1	108.5320	0.000	1	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HO)(H)2	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.9775	0.013	2	108.9775	0.000	2	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<4>,2|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2860	0.028	2	109.2860	0.001	2	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4077	0.094	6	109.1446	0.244	8	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<4>,2|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.3555	0.037	2	109.1446	0.244	8	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0575	0.025	2	109.0575	0.001	2	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[5,6,6]C[5,6]N[6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[5,6,6]C[5,6]N[6,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3830	0.037	2	109.3830	0.001	2	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HO)(H)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HO)(H)2{1|C<2>,1|C<3>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{2|C<4>,3|O<2>,6|H<1>}	H(C[6]C[6]2H)	108.9550	0.021	2	108.9550	0.000	2	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,5|C<4>}	H(C[6]C[6]2H)	109.1882	0.184	4	109.1882	0.034	4	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.6991	0.243	9	108.6991	0.059	9	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[6]2H)	108.7152	0.061	4	108.7152	0.004	4	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[6]2H)	109.0605	0.038	4	109.0605	0.001	4	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8882	0.030	4	108.8882	0.001	4	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	111.1732	2.814	4	110.8384	6.500	5	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>,3|O<2>}	H(C[6]C[6]2H)	109.4990	0.000	1	110.8384	6.500	5	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.6120	0.008	2	109.6120	0.000	2	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9002	0.093	4	108.9002	0.009	4	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[3,5,6]C[5,3x6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6,6]C[3,5,6]C[5,3x6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.1245	0.411	2	108.1245	0.169	2	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(H)2{2|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5600	0.016	2	109.5600	0.000	2	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,3x6]C[6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6,6]C[5,3x6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5960	0.011	2	109.5960	0.000	2	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,3x6]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6,6]C[5,3x6]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.6770	0.018	2	109.6770	0.000	2	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]O)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.6115	0.189	2	109.6115	0.036	2	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	110.6150	3.666	2	110.6150	13.437	2	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7585	0.084	2	109.7585	0.007	2	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5555	0.011	2	109.5555	0.000	2	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.8817	0.232	6	108.8817	0.054	6	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1487	0.036	6	109.1943	0.006	14	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]HH)(H)2{1|Cl<1>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.2285	0.078	8	109.1943	0.006	14	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4142	0.171	4	109.4142	0.029	4	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,5,6]C[5,6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8021	0.044	7	109.8021	0.002	7	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.3910	0.000	1	109.3910	0.000	1	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.5078	0.040	4	109.6161	0.042	7	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.4550	0.000	1	109.6161	0.042	7	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{2|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.9135	0.005	2	109.6161	0.042	7	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4705	0.052	2	109.3433	0.039	6	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2{3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2797	0.217	4	109.3433	0.039	6	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2198	0.098	4	109.2300	0.006	6	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2505	0.023	2	109.2300	0.006	6	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]N[6])(C[6]C[6]HH)(H)2{1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6680	0.061	2	109.6680	0.004	2	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5430	0.017	2	109.4029	0.078	14	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,2|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.5145	0.071	2	109.4029	0.078	14	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.3525	0.318	10	109.4029	0.078	14	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(H)2{1|N<4>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.6745	1.921	2	108.9235	1.691	6	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2520	0.040	2	108.9235	1.691	6	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	107.8440	1.044	2	108.9235	1.691	6	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6]2H)	109.8955	0.018	2	109.8610	0.002	4	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]HH)(H)2{3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8265	0.018	2	109.8610	0.002	4	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6502	0.091	4	109.6502	0.008	4	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.3620	2.325	2	108.4363	3.341	4	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	107.5105	1.091	2	108.4363	3.341	4	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6,6a]C[5,6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6,6]C[5,6,6a]C[5,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6755	0.006	2	109.6755	0.000	2	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.3635	0.016	2	109.8689	1.677	8	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4320	0.000	1	109.8689	1.677	8	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2{1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6]2H)	110.3570	1.810	4	109.8689	1.677	8	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2{2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3640	0.000	1	109.8689	1.677	8	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]2N[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6]2N[5,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|N<2>,4|H<1>}	H(C[6]C[6]2H)	110.4405	0.009	2	110.4405	0.000	2	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6]2O[6])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6]2H)	109.8538	0.056	4	109.8538	0.003	4	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	110.9240	0.441	2	110.0258	2.391	4	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6]3)(C[6]C[6]HH)(H)2{3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1275	1.937	2	110.0258	2.391	4	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4700	0.016	2	109.5757	0.095	11	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7710	0.028	2	109.5757	0.095	11	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8820	0.040	2	109.5757	0.095	11	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3792	0.410	4	109.5757	0.095	11	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.5700	0.000	1	109.5757	0.095	11	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.5425	0.040	2	109.5116	0.004	12	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2{1|B<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5805	0.011	2	109.5116	0.004	12	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4640	0.018	2	109.5116	0.004	12	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2{4|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.4195	0.015	2	109.5116	0.004	12	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5315	0.031	4	109.5116	0.004	12	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.9140	0.088	7	109.7201	0.171	15	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	110.0760	0.027	2	109.7201	0.171	15	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>}	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7655	0.022	2	109.7201	0.171	15	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.6803	0.028	4	109.7201	0.171	15	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.4902	0.096	11	109.4092	0.042	15	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|O<2>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2{1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2805	0.005	2	109.4092	0.042	15	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3970	0.000	1	109.4092	0.042	15	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.7880	0.000	1	109.4092	0.042	15	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.5800	0.028	2	109.5408	0.003	4	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.5015	0.029	2	109.5408	0.003	4	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5a,6]C[5,6]N[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6,6]C[5a,6]C[5,6]N[5,6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5870	0.731	2	108.5870	0.535	2	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5a,6]C[5,6]O[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|O<2>}	C[6](C[5,6,6]C[5a,6]C[5,6]O[5,6])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.0335	0.012	2	109.0335	0.000	2	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.3955	0.040	2	109.1178	0.848	10	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.7193	1.466	4	109.1178	0.848	10	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5495	0.052	2	109.1178	0.848	10	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{5|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2055	0.035	2	109.1178	0.848	10	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[6,6]N[5,6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[5,6,6]C[6,6]N[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.4535	0.005	2	109.4535	0.000	2	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2345	0.277	4	109.2657	0.048	6	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3280	0.006	2	109.2657	0.048	6	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.4615	0.005	2	109.4615	0.000	2	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[6,6a]C[5,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[6](C[5,6,6]C[6,6a]C[5,6]2)(C[6]C[6]HH)(H)2{1|C<4>,1|S<3>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.8630	0.021	2	109.8630	0.000	2	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.7155	0.008	2	109.8279	0.041	7	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]HH)(H)2{3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6310	0.018	2	109.8279	0.041	7	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]HH)(H)2{3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.0340	0.079	3	109.8279	0.041	7	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]N[5,5,6]C[5,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[5,6,6]N[5,5,6]C[5,6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3215	0.042	2	109.3215	0.002	2	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{2|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4910	0.173	6	109.4356	0.032	8	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(H)2{2|C<3>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.2695	0.032	2	109.4356	0.032	8	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]HH)(H)2{4|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.4295	0.076	4	109.4295	0.006	4	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]HH)(H)2{4|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,7|H<1>}	H(C[6]C[6]2H)	111.0125	0.629	2	111.0125	0.395	2	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2{4|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.9995	0.053	4	108.9995	0.003	4	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4030	0.000	1	109.4030	0.000	1	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6820	0.030	2	109.4341	0.767	9	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,4|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.0072	0.058	4	109.4341	0.767	9	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4270	0.000	1	109.4341	0.767	9	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2{4|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	110.0435	2.129	2	109.4341	0.767	9	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]O[6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]O[6]HH)(H)2{3|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|O<2>,6|H<1>}	H(C[6]C[6]2H)	109.4680	0.004	2	109.6230	0.034	4	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]O[6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]O[6]HH)(H)2{3|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|O<2>,6|H<1>}	H(C[6]C[6]2H)	109.7780	0.069	2	109.6230	0.034	4	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)2(H)2	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9075	0.359	2	108.9075	0.129	2	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)2(H)2	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.6880	2.025	2	109.6880	4.101	2	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)2(H)2	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)2(H)2{1|C<3>,4|C<4>}	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6560	0.018	3	108.6560	0.000	3	109.3555	0.514	367	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]BrH)(H)2	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]BrH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(Br)(H){2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3115	0.040	2	109.3115	0.002	2	109.5361	1.094	24	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]BrH)(C[6]C[6,6a]CH)(H)2	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]BrH)(C[6]C[6,6a]CH)(H)2{1|C<4>,3|C<3>}	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]HH)(Br)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6830	0.018	2	109.6830	0.000	2	109.5361	1.094	24	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]BrH)(C[6]C[6,6a]HH)(H)2	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]BrH)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]HH)(Br)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	110.0690	0.042	2	110.0690	0.002	2	109.5361	1.094	24	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]BrH)(C[6]C[6,6a]HH)(H)2	C[6](C[5,6]C[6,6a]O[5]2)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]BrH)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|O<2>}	C[6](C[5,6]C[6,6a]O[5]2)(C[6]C[6]HH)(Br)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	111.1540	3.650	2	111.1540	13.323	2	109.5361	1.094	24	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6]HH)(Br)(H){1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5910	0.024	2	108.5910	0.001	2	109.5361	1.094	24	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Br)(H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2535	0.016	2	109.1028	0.070	6	109.5361	1.094	24	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Br)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.0275	0.307	4	109.1028	0.070	6	109.5361	1.094	24	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(Br)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.2805	0.021	2	110.2805	0.000	2	109.5361	1.094	24	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(Br)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5920	0.383	4	109.3453	0.259	6	109.5361	1.094	24	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.8520	0.355	2	109.3453	0.259	6	109.5361	1.094	24	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:Cl-1:Cl-1:	C[6]-4:	C[6](C[6]C[5,6]Cl2)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6]C[6]HH)(Cl)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]Cl2)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6]C[6]HH)(Cl)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.6690	0.000	1	109.6690	0.000	1	109.6690	0.000	1	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]ClH)(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]ClH)(C[6]C[5,6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	107.7425	1.433	2	107.7425	2.054	2	109.1563	0.617	15	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]ClH)(C[6]C[6,6a]HH)(H)2	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]ClH)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]HH)(Cl)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.9650	0.000	1	109.9650	0.000	1	109.1563	0.617	15	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]ClH)(C[6]C[6,6a]HH)(H)2	C[6](C[5,6]C[6,6a]O[5]2)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]ClH)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|O<2>}	C[6](C[5,6]C[6,6a]O[5]2)(C[6]C[6]HH)(Cl)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9140	0.173	2	108.9140	0.030	2	109.1563	0.617	15	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2235	0.063	2	109.2163	0.002	4	109.1563	0.617	15	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2090	0.028	2	109.2163	0.002	4	109.1563	0.617	15	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(Cl)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2595	0.021	2	109.2572	0.000	4	109.1563	0.617	15	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(Cl)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.2550	0.008	2	109.2572	0.000	4	109.1563	0.617	15	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(Cl)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	110.0865	0.013	2	110.0865	0.000	2	109.1563	0.617	15	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]FH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(F)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]FH)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(F)(H){2|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.2080	0.037	2	109.2080	0.001	2	109.1097	0.126	8	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]FH)(H)2	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]HH)(F)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]FH)(H)2{1|C<4>,3|C<3>}	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]HH)(F)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0770	0.414	6	109.0770	0.171	6	109.1097	0.126	8	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[3,5,6,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6,6]HH)(C[6]C[5,6]HH)(H)2{5|C<4>}	C[6](C[5,6]C[3,5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.1690	1.430	2	110.1690	2.044	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]CC)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]CC)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[6]2H)	108.5450	0.033	2	108.5450	0.001	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]CO)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[3,5,6]C[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]CO)(C[6]C[5,6]HH)(H)2{2|O<2>,3|C<4>}	C[6](C[5,6]C[3,5,6]C[5]O)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.4810	0.186	3	108.4810	0.035	3	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[3,5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[3,5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.2082	0.430	4	108.5325	0.363	6	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[3,5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[3,5,6]N[5]H)(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1810	0.006	2	108.5325	0.363	6	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HO)(C[6]C[5,6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1055	0.033	2	109.1055	0.001	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,4x6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[5,6]C[5,4x6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6412	0.606	6	109.5355	0.353	10	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,4x6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[5,6]C[5,4x6]C[5]C)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3770	0.626	4	109.5355	0.353	10	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,4x6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,4x6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.9060	0.042	2	109.9060	0.002	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.5225	0.035	2	109.7242	0.071	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.9260	0.223	2	109.7242	0.071	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[4,5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[4,5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<3>,2|H<1>}	H(C[6]C[6]2H)	109.7280	0.073	4	109.7280	0.005	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,4x6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,4x6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.2575	0.015	2	109.2575	0.000	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]CO)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]CO)(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.7660	0.008	2	108.7660	0.000	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5,6]C[5]S)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(H)2{1|S<2>,4|C<4>}	C[6](C[5,6]C[5,5,6]C[5]S)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5810	0.129	4	108.5810	0.017	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.4430	0.006	2	108.7865	0.579	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1300	1.124	2	108.7865	0.579	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]ClH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]ClH)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0290	0.000	1	109.0290	0.000	1	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5,6,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.8790	1.723	2	108.8790	2.967	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1385	0.013	2	109.1385	0.000	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9695	0.006	2	108.9695	0.000	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.7920	0.091	2	108.7920	0.008	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8650	0.027	2	108.8650	0.001	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.0229	0.110	8	109.0256	0.010	10	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.0365	0.046	2	109.0256	0.010	10	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.8020	0.000	1	108.8020	0.000	1	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.8685	0.040	2	108.8685	0.002	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,3|O<2>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.9677	0.183	4	108.9677	0.033	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[5,6]HH)(H)2{2|C<4>,3|O<2>}	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.1113	0.348	6	109.1113	0.121	6	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.8675	0.015	2	109.1955	0.144	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{2|C<3>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5235	0.049	2	109.1955	0.144	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	110.8280	2.642	2	110.8280	6.979	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.0175	0.062	2	109.0175	0.004	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|H<1>,2|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.9005	0.212	10	108.9005	0.045	10	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9894	0.024	5	108.6526	0.099	41	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.6200	0.021	2	108.6526	0.099	41	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.8707	0.031	3	108.6526	0.099	41	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.4202	0.190	10	108.6526	0.099	41	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.1090	0.095	3	108.6526	0.099	41	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.5794	0.309	18	108.6526	0.099	41	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.4550	0.049	2	108.2579	0.014	9	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.2016	0.033	7	108.2579	0.014	9	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.8700	0.017	2	109.0193	0.067	3	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.3180	0.000	1	109.0193	0.067	3	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8495	0.006	2	108.8495	0.000	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,3|O<2>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.1315	0.119	6	109.1315	0.014	6	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{2|C<4>,3|O<2>}	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.4865	0.015	2	109.4865	0.000	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	H(C[6]C[6]2H)	109.1915	0.042	2	109.2376	0.015	5	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[6]2H)	109.2683	0.159	3	109.2376	0.015	5	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,2|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.2927	1.137	6	109.2927	1.293	6	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4365	0.586	2	109.4365	0.344	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>}	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.9750	1.195	2	109.9750	1.428	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6]O)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6]O)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.1085	0.054	2	108.1085	0.003	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]B[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]Ir)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]B[6]HH)(H)2{1|Ir<10>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Ir)(C[6]C[6]HH)(H)2{1|B<4>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5115	0.102	4	109.5115	0.010	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]B[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]B[6]HH)(H)2{1|Zr<15>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]HH)(H)2{1|B<4>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3070	0.016	4	109.3070	0.000	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	108.8550	0.000	1	108.8457	0.000	3	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|I<1>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	108.8410	0.004	2	108.8457	0.000	3	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.9550	0.034	3	109.9550	0.001	3	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.1340	0.000	1	109.1340	0.000	1	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CC)(H)2	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{2|C<3>,4|C<4>}	H(C[6]C[6]2H)	110.1605	3.479	4	110.1605	12.103	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(H)2{1|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.5745	0.016	2	108.5745	0.000	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.9070	0.000	1	109.0795	0.030	19	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[6]2H)	109.3377	0.037	4	109.0795	0.030	19	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.0180	0.119	14	109.0795	0.030	19	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.5275	0.028	2	108.5275	0.001	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.4403	0.166	3	109.3802	0.021	5	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{1|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.2900	0.010	2	109.3802	0.021	5	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[3,6,6]O[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{2|O<2>,3|C<4>}	C[6](C[5,6]C[3,6,6]O[5]2)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.0035	0.033	2	109.0035	0.001	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0653	0.484	3	107.7972	46.186	20	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.3541	7.862	15	107.7972	46.186	20	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.2185	0.016	2	107.7972	46.186	20	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.6877	0.118	9	109.5578	0.429	19	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.6405	0.077	4	109.5578	0.429	19	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|B<3>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6800	0.004	2	109.5578	0.429	19	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	110.9435	0.284	2	109.5578	0.429	19	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3000	0.035	2	109.5578	0.429	19	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.0825	0.019	2	109.0825	0.000	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5807	0.151	8	109.5606	0.024	9	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3990	0.000	1	109.5606	0.024	9	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	109.6735	0.015	2	109.5179	0.260	10	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4790	0.570	8	109.5179	0.260	10	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6050	0.027	2	109.6050	0.001	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[5,6,6]S[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[5,6]C[5,6,6]S[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6238	0.132	4	108.6238	0.018	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6080	0.023	2	109.6659	0.027	12	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6]2H)	109.6775	0.178	10	109.6659	0.027	12	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{2|C<4>,3|O<2>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6500	0.030	2	109.6500	0.001	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>}	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.4225	0.038	4	109.4096	0.114	16	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.3492	0.154	8	109.4096	0.114	16	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.5175	0.698	4	109.4096	0.114	16	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[6,6]O[5]S[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<2>}	C[6](C[5,6]C[6,6]O[5]S[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3205	0.026	2	109.3695	0.007	6	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[6,6]O[5]S[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<2>}	C[6](C[5,6]C[6,6]O[5]S[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4740	0.035	2	109.3695	0.007	6	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[6,6]O[5]S[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[6](C[5,6]C[6,6]O[5]S[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3140	0.031	2	109.3695	0.007	6	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]N[6,6]C[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<4>,3|C<4>}	C[6](C[5,6]N[6,6]C[5]2)(C[6]C[6]HH)(H)2{5|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.2030	0.034	2	109.2030	0.001	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2	C[6](C[5,6]C[5,6,6]C[3,5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[3,5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.8620	0.016	2	108.8620	0.000	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5410	0.013	2	108.8878	0.106	9	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8948	0.381	4	108.8878	0.106	9	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,3|O<2>}	H(C[6]C[6]2H)	109.0530	0.017	2	108.8878	0.106	9	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.2230	0.000	1	108.8878	0.106	9	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]2H)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]2H)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.1868	0.071	4	108.7938	0.374	6	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]2H)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]2H)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.0080	0.044	2	108.7938	0.374	6	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]BrH)(H)2	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]BrH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]2H)	108.8090	0.027	2	108.8090	0.001	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{6|C<4>}	H(C[6]C[6]2H)	107.3900	0.771	2	107.3900	0.594	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6]2H)	107.8125	0.132	6	108.1996	0.137	14	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6]2H)	108.3010	0.031	2	108.1996	0.137	14	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.5360	0.008	2	108.1996	0.137	14	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[6]2H)	108.5615	0.075	4	108.1996	0.137	14	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.6990	0.643	2	109.6990	0.414	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C[6](C[5,6]C[5,6]C[5]Mn)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|Mn<8>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Mn)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.5655	0.021	2	108.5655	0.000	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.2745	0.006	2	109.2745	0.000	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	H(C[6]C[6]2H)	107.2410	0.075	2	107.2410	0.006	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	109.1697	0.078	3	109.1697	0.006	3	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4267	0.028	3	109.4267	0.001	3	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.6805	0.023	2	108.6805	0.001	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4640	0.020	2	109.2298	0.035	6	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1128	0.058	4	109.2298	0.035	6	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6]2H)	108.8200	0.044	2	108.8200	0.002	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|Br<1>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5033	0.126	6	109.2619	0.550	66	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<2>,1|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4640	0.017	2	109.2619	0.550	66	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7355	0.046	4	109.2619	0.550	66	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.9257	0.023	6	109.2619	0.550	66	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.8120	0.098	2	109.2619	0.550	66	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5435	0.012	2	109.2619	0.550	66	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|Cl<1>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2705	0.085	4	109.2619	0.550	66	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|I<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4750	0.089	10	109.2619	0.550	66	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.1840	0.071	2	109.2619	0.550	66	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.4272	0.090	5	109.2619	0.550	66	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6014	1.197	19	109.2619	0.550	66	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.8423	0.208	4	109.2619	0.550	66	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,4|C<4>}	H(C[6]C[6]2H)	109.0712	0.066	6	108.9718	0.337	19	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3417	0.045	3	108.9718	0.337	19	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4195	0.035	2	108.9718	0.337	19	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.3510	0.000	1	108.9718	0.337	19	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.4700	0.000	1	108.9718	0.337	19	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	107.6370	0.553	2	108.9718	0.337	19	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4910	0.008	2	108.9718	0.337	19	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6]2H)	108.5485	0.023	2	108.9718	0.337	19	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6815	0.015	2	108.9089	0.287	7	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	108.6800	0.032	3	108.9089	0.287	7	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.4795	0.037	2	108.9089	0.287	7	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2660	0.000	1	107.9070	6.378	3	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[6]2H)	107.2275	3.160	2	107.9070	6.378	3	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.2215	0.030	2	109.2215	0.001	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1716	0.035	7	109.3381	0.482	15	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.7800	1.368	4	109.3381	0.482	15	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|C<4>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|S<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.0555	0.005	2	109.3381	0.482	15	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.3170	0.000	1	109.3381	0.482	15	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.3230	0.000	1	109.3381	0.482	15	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5012	0.058	4	109.5012	0.003	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5]N[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5]N[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.1030	0.014	2	109.1940	0.025	3	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5]N[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5]N[6]O[5])(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.3760	0.000	1	109.1940	0.025	3	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.4474	0.125	43	109.4474	0.016	43	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.1146	0.187	11	109.1098	0.022	18	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1021	0.067	7	109.1098	0.022	18	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]N[5,5]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]N[5,5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3173	0.919	8	109.3173	0.845	8	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]N[5,5a]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]N[5,5a]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.5565	0.006	2	109.5565	0.000	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5740	0.054	2	109.5740	0.003	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]N[5,6]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[5,6]N[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4540	0.004	2	109.4540	0.000	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2390	0.351	4	109.2390	0.123	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{1|H<1>,4|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2{1|H<1>,3|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.5730	0.017	2	108.5070	0.007	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{1|H<1>,4|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.4410	0.057	2	108.5070	0.007	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.8570	0.023	2	108.9922	0.038	9	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.8680	0.054	4	108.9922	0.038	9	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.2480	0.044	3	108.9922	0.038	9	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.2150	0.000	1	110.4288	2.512	5	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,1|O<2>,1|W<7>,3|C<4>}	H(C[6]C[6]2H)	112.1565	0.305	2	110.4288	2.512	5	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3080	0.008	2	110.4288	2.512	5	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{2|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.0590	0.025	2	109.0590	0.001	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{1|O<2>,4|C<3>,4|C<4>}	H(C[6]C[6]2H)	109.2160	0.000	1	109.2160	0.000	1	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.5980	0.000	1	109.5980	0.000	1	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6045	0.043	2	109.7062	0.015	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8080	0.024	2	109.7062	0.015	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2{1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|B<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2510	0.008	2	109.2510	0.000	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]FeC)(H)2	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]FeC)(H)2{1|Fe<10>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(H)2{1|Fe<7>,1|H<1>,4|C<4>}	H(C[6]C[6]2H)	106.3605	1.752	2	106.3605	3.068	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[3,5,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[3,5,6]C[5,6]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.0245	2.826	2	109.0245	7.988	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,5,6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7053	2.551	4	108.7053	6.510	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.1500	1.161	2	110.1500	1.348	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6948	0.342	5	109.6948	0.117	5	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1430	0.000	1	109.1430	0.000	1	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,5,6]N[5]Br)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[5,6]C[5,5,6]N[5]Br)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5460	0.033	2	109.5460	0.001	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1610	0.136	3	109.1610	0.019	3	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|I<1>,3|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.6090	0.049	2	109.6090	0.002	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2800	0.000	1	109.2990	4.564	9	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.8367	2.662	4	109.2990	4.564	9	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7160	0.047	2	109.2990	4.564	9	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|N<3>,3|H<1>}	H(C[6]C[6]2H)	107.8160	3.059	2	109.2990	4.564	9	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8465	0.322	2	108.8465	0.104	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2760	0.013	2	109.4591	0.050	18	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<1>,4|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.3283	0.112	3	109.4591	0.050	18	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.6192	0.205	9	109.4591	0.050	18	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.2885	0.079	4	109.4591	0.050	18	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5260	0.041	4	109.5260	0.002	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,5]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4618	0.093	11	109.4618	0.009	11	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.9020	0.038	2	109.7194	0.044	8	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8965	0.015	2	109.7194	0.044	8	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4390	0.081	2	109.7194	0.044	8	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6400	0.027	2	109.7194	0.044	8	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,5a]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,5a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5078	0.979	12	109.5078	0.958	12	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,5a]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,5a]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3822	0.050	4	109.3822	0.002	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[3]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[3]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5855	0.036	2	109.6495	0.006	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[3]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[3]C[5])(C[6]C[6]HH)(H)2{2|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7135	0.039	2	109.6495	0.006	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3825	0.166	2	109.3813	0.021	10	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3810	0.150	8	109.3813	0.021	10	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.4890	0.021	2	110.2281	3.267	16	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.4750	0.000	1	110.2281	3.267	16	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6765	0.015	2	110.2281	3.267	16	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5840	0.000	1	110.2281	3.267	16	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.5405	0.006	2	110.2281	3.267	16	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.0560	2.489	2	110.2281	3.267	16	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2595	0.827	2	110.2281	3.267	16	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	112.6368	1.886	4	110.2281	3.267	16	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.8200	0.006	2	109.8200	0.000	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.9165	0.021	2	109.9165	0.000	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3080	2.912	2	109.2504	1.026	33	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4890	0.151	6	109.2504	1.026	33	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.3545	0.329	2	109.2504	1.026	33	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.1106	0.070	7	109.2504	1.026	33	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8650	0.220	4	109.2504	1.026	33	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	110.1655	1.899	2	109.2504	1.026	33	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4240	1.779	6	109.2504	1.026	33	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2237	0.033	4	109.2504	1.026	33	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7988	0.391	6	109.5008	0.392	42	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.7295	0.030	2	109.5008	0.392	42	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5195	0.036	2	109.5008	0.392	42	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0560	0.084	4	109.5008	0.392	42	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4880	1.077	12	109.5008	0.392	42	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5655	0.125	4	109.5008	0.392	42	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|Cr<9>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6670	0.118	4	109.5008	0.392	42	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.0775	0.121	4	109.5008	0.392	42	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.6055	0.168	4	109.5008	0.392	42	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]2O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1160	0.414	2	109.1160	0.172	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]B[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]B[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|P<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4253	0.055	8	109.4253	0.003	8	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(C[6]C[6]2H)	109.7265	0.005	2	109.6172	0.016	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5080	0.016	2	109.6172	0.016	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5980	0.017	2	109.2726	0.277	102	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.6475	0.021	2	109.2726	0.277	102	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3085	0.964	2	109.2726	0.277	102	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	110.6720	0.619	2	109.2726	0.277	102	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.6660	0.020	2	109.2726	0.277	102	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.6130	0.025	2	109.2726	0.277	102	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.5465	0.039	2	109.2726	0.277	102	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5955	0.008	2	109.2726	0.277	102	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9947	0.124	18	109.2726	0.277	102	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3328	0.190	13	109.2726	0.277	102	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6]2H)	109.4657	0.088	6	109.2726	0.277	102	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9600	0.033	2	109.2726	0.277	102	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.3365	0.156	4	109.2726	0.277	102	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.2820	0.109	2	109.2726	0.277	102	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	106.8530	0.443	2	109.2726	0.277	102	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2300	0.084	3	109.2726	0.277	102	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3370	2.014	2	109.2726	0.277	102	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5050	0.021	2	109.2726	0.277	102	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0065	0.015	2	109.2726	0.277	102	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3107	0.146	4	109.2726	0.277	102	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5446	0.106	8	109.2726	0.277	102	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8547	0.062	3	109.2726	0.277	102	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4227	0.040	3	109.2726	0.277	102	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7465	0.016	2	109.2726	0.277	102	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3897	0.050	3	109.2726	0.277	102	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.0335	0.030	2	109.2726	0.277	102	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0170	0.307	2	109.2726	0.277	102	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4420	0.000	1	109.2726	0.277	102	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9630	0.017	2	109.2726	0.277	102	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4631	0.305	8	109.4152	0.081	15	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3257	0.190	3	109.4152	0.081	15	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|Si<3>,1|N<3>,2|C<4>,7|H<1>}	H(C[6]C[6]2H)	109.3865	0.348	4	109.4152	0.081	15	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Fe<10>,1|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4580	0.024	2	109.2770	0.084	46	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Fe<10>,1|H<1>,1|N<4>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3655	0.035	2	109.2770	0.084	46	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Fe<8>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4874	0.168	11	109.2770	0.084	46	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Fe<8>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(H)2{1|Si<4>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1850	0.297	31	109.2770	0.084	46	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1475	0.211	2	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5640	0.016	2	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.3365	0.015	2	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6]C[6]2H)	109.3699	0.994	29	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	108.8670	0.404	2	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6190	0.007	2	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.4815	0.005	2	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.0765	0.016	2	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6465	0.008	2	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5242	0.578	6	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2680	0.010	2	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	105.6010	2.770	2	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.6508	0.031	4	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0360	1.482	2	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4760	0.049	2	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3505	0.070	4	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3590	0.017	2	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.5068	0.108	6	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	110.5482	2.627	4	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.6025	0.057	4	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<2>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3390	0.359	4	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.6690	0.491	2	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2310	0.048	2	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5690	0.008	2	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.8750	0.033	2	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|I<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6457	0.049	3	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,5|H<1>}	H(C[6]C[6]2H)	109.8280	0.013	2	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	110.1505	1.568	4	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.3385	0.141	2	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6825	0.008	2	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.4389	1.394	8	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.4400	0.332	4	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0650	0.598	4	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6155	0.110	2	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1280	0.755	2	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	110.0932	0.492	4	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.3852	2.853	4	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.6070	0.020	2	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|F<1>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4600	0.000	1	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4245	0.430	50	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5560	0.008	2	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.7715	0.648	2	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.9338	1.418	4	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,1|P<4>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6330	0.013	2	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8723	1.041	6	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9505	0.541	2	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.4745	0.011	2	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4467	0.081	3	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1495	0.040	4	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	110.2150	0.725	2	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3950	0.000	1	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6240	0.035	2	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.6390	0.013	2	109.4109	0.872	223	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]N)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6]C[6]2H)	109.6660	1.604	2	109.6660	2.572	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.5100	0.000	1	109.4065	1.712	13	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	110.6765	0.293	2	109.4065	1.712	13	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9387	1.111	4	109.4065	1.712	13	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.6405	0.060	2	109.4065	1.712	13	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2750	0.020	2	109.4065	1.712	13	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4175	3.420	2	109.4065	1.712	13	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.2710	0.010	2	109.6787	0.448	6	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8825	0.762	4	109.6787	0.448	6	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]Re)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Re<8>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]Re)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.2485	0.098	4	109.2485	0.010	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Rh<8>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0435	1.145	13	108.9931	0.871	29	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Rh<8>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.2007	0.110	6	108.9931	0.871	29	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Rh<8>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8032	0.940	10	108.9931	0.871	29	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6897	0.239	6	109.6897	0.057	6	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Ti<12>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.3675	0.099	4	109.3167	0.013	8	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Ti<12>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2057	0.012	3	109.3167	0.013	8	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Ti<8>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]HH)(H)2{1|P<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4470	0.000	1	109.3167	0.013	8	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Zr<12>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]HH)(H)2{1|Si<4>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9299	2.137	8	108.9387	0.953	45	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Zr<13>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]HH)(H)2{1|Si<5>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.1377	0.571	4	108.9387	0.953	45	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Zr<13>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.2495	0.234	6	108.9387	0.953	45	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Zr<13>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8075	0.587	12	108.9387	0.953	45	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Zr<14>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.0534	0.264	7	108.9387	0.953	45	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Zr<14>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2114	0.252	8	108.9387	0.953	45	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3640	0.110	4	109.6613	3.486	15	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	110.2840	3.941	4	109.6613	3.486	15	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(H)2{4|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4754	0.058	7	109.6613	3.486	15	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.6790	0.006	2	109.6407	0.004	3	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{1|N<4>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5640	0.000	1	109.6407	0.004	3	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[3x5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[5,6]C[5,6]N[3x5]H)(C[6]C[6]HH)(H)2{1|Ga<6>,1|N<4>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6935	0.026	2	109.6935	0.001	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4575	0.008	2	109.6473	0.516	10	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5005	0.046	2	109.6473	0.516	10	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.7595	0.943	6	109.6473	0.516	10	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4927	0.066	3	109.4849	0.041	48	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5760	0.021	2	109.4849	0.041	48	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6507	0.202	15	109.4849	0.041	48	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|Ga<5>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4267	0.116	3	109.4849	0.041	48	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|In<5>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3622	0.043	6	109.4849	0.041	48	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|In<6>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.2791	0.154	8	109.4849	0.041	48	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|P<4>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1855	0.050	2	109.4849	0.041	48	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.5642	0.125	5	109.4849	0.041	48	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|In<5>,1|N<4>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5012	0.043	4	109.4849	0.041	48	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.7420	0.021	2	109.8050	0.999	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.8680	1.727	2	109.8050	0.999	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	111.0600	1.072	2	109.2143	0.933	396	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7220	0.136	4	109.2143	0.933	396	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4535	0.016	2	109.2143	0.933	396	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2685	0.351	4	109.2143	0.933	396	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.8825	2.501	2	109.2143	0.933	396	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8083	2.027	6	109.2143	0.933	396	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1535	0.054	2	109.2143	0.933	396	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.7480	0.004	2	109.2143	0.933	396	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.6140	0.004	2	109.2143	0.933	396	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.0032	0.497	4	109.2143	0.933	396	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|P<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6577	0.121	6	109.2143	0.933	396	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4210	0.000	1	109.2143	0.933	396	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.8090	0.820	4	109.2143	0.933	396	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|P<3>,3|H<1>}	H(C[6]C[6]2H)	109.0413	0.239	3	109.2143	0.933	396	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	108.6171	0.405	56	109.2143	0.933	396	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,1|S<4>,3|H<1>}	H(C[6]C[6]2H)	109.2398	0.930	4	109.2143	0.933	396	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.0100	0.010	2	109.2143	0.933	396	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1073	0.347	53	109.2143	0.933	396	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8280	0.065	2	109.2143	0.933	396	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6515	0.040	2	109.2143	0.933	396	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.8015	0.030	2	109.2143	0.933	396	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6751	0.095	12	109.2143	0.933	396	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|P<3>,1|S<4>,3|H<1>}	H(C[6]C[6]2H)	108.0821	0.406	7	109.2143	0.933	396	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.8736	0.054	7	109.2143	0.933	396	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.7120	0.021	2	109.2143	0.933	396	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.7683	0.140	6	109.2143	0.933	396	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.7430	0.062	2	109.2143	0.933	396	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|Ir<8>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3697	0.329	8	109.2143	0.933	396	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|P<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0110	0.025	3	109.2143	0.933	396	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|P<4>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3905	1.566	104	109.2143	0.933	396	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0042	0.079	4	109.2143	0.933	396	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3461	0.181	39	109.2143	0.933	396	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0300	0.044	2	109.2143	0.933	396	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|Rh<8>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.6995	0.312	8	109.2143	0.933	396	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6770	0.121	4	109.2143	0.933	396	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4567	0.080	4	109.2143	0.933	396	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.6683	0.165	4	109.2143	0.933	396	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|Br<1>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.4370	0.011	2	109.2143	0.933	396	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|In<5>,1|N<4>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5180	0.064	3	109.2143	0.933	396	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.9120	0.072	2	109.2143	0.933	396	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7117	0.134	4	109.2143	0.933	396	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4110	0.011	2	109.2143	0.933	396	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2445	0.214	2	109.2143	0.933	396	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	C[6](C[5,6]C[5,6]N[5]N)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5490	0.000	1	109.5490	0.000	1	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]O[5])(C[6]C[6]HH)(H)2{1|N<2>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5604	0.054	5	109.5604	0.003	5	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2040	0.023	2	109.2040	0.001	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3430	0.006	2	109.4721	0.043	14	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.5795	0.018	2	109.4721	0.043	14	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.6320	0.016	2	109.4721	0.043	14	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6150	0.000	1	109.4721	0.043	14	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5650	0.000	1	109.4721	0.043	14	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.5590	0.078	4	109.4721	0.043	14	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.0425	0.047	2	109.4721	0.043	14	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]N)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2710	0.018	2	109.2710	0.000	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<2>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5565	0.005	2	109.5533	0.000	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5500	0.014	2	109.5533	0.000	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|P<4>,3|H<1>}	C[6](C[5,6]C[5,6]P[5]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.3795	0.042	2	109.3547	0.002	10	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[5,6]C[5,6]P[5]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3485	0.042	8	109.3547	0.002	10	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]P[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,1|P<4>,2|H<1>}	C[6](C[5,6]C[5,6]P[5]O)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4990	0.004	2	109.4990	0.000	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]P[5]Ti)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Ti<8>,1|C<4>,1|P<3>,2|H<1>}	C[6](C[5,6]C[5,6]P[5]Ti)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5920	0.037	2	109.5920	0.001	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	110.9727	5.456	4	110.9727	29.772	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1927	0.118	3	109.1927	0.014	3	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|S<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.1265	0.500	4	109.1279	0.181	25	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.7885	0.363	4	109.1279	0.181	25	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7480	0.101	3	109.1279	0.181	25	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3540	0.051	4	109.1279	0.181	25	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.8878	0.154	10	109.1279	0.181	25	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.9460	0.985	4	108.9460	0.969	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3643	0.037	3	109.3643	0.001	3	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.2560	0.060	4	109.2560	0.004	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.7990	0.013	2	109.3499	1.712	21	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.7519	0.200	9	109.3499	1.712	21	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	110.4100	0.088	2	109.3499	1.712	21	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5203	1.863	8	109.3499	1.712	21	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.6060	0.004	2	109.6060	0.000	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.6235	0.025	2	109.6235	0.001	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.3900	0.113	4	109.3795	0.008	11	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4235	0.076	4	109.3795	0.008	11	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.3067	0.050	3	109.3795	0.008	11	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6a]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4062	0.196	4	109.4062	0.038	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.4415	0.164	4	109.4064	0.303	238	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4393	0.031	3	109.4064	0.303	238	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5490	0.088	4	109.4064	0.303	238	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3782	0.059	12	109.4064	0.303	238	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|O<1>,2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6100	0.013	2	109.4064	0.303	238	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|As<2>,1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.4510	0.139	7	109.4064	0.303	238	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|B<3>,1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.3692	0.238	4	109.4064	0.303	238	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|B<6>,1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.3623	0.129	3	109.4064	0.303	238	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Be<2>,1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.4940	0.018	2	109.4064	0.303	238	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Be<3>,1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.3610	0.207	4	109.4064	0.303	238	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,6|H<1>}	H(C[6]C[6]2H)	108.9855	3.571	4	109.4064	0.303	238	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.4262	0.165	22	109.4064	0.303	238	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Ga<4>,1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.3410	0.151	2	109.4064	0.303	238	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Ge<2>,1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.3672	0.125	11	109.4064	0.303	238	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.7300	0.956	2	109.4064	0.303	238	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.4193	0.117	3	109.4064	0.303	238	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|P<2>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.3997	0.058	11	109.4064	0.303	238	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|P<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	108.9428	2.536	4	109.4064	0.303	238	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|S<1>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.4493	0.026	3	109.4064	0.303	238	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,7|H<1>}	H(C[6]C[6]2H)	109.5096	0.149	7	109.4064	0.303	238	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Ni<3>,1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.3418	0.071	4	109.4064	0.303	238	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Ni<4>,1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.4310	0.136	4	109.4064	0.303	238	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Si<2>,1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.3296	0.091	7	109.4064	0.303	238	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Si<3>,1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.4368	0.210	4	109.4064	0.303	238	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Si<4>,1|N<2>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.3921	0.157	7	109.4064	0.303	238	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Si<4>,1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.4693	0.057	7	109.4064	0.303	238	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.3295	0.048	4	109.4064	0.303	238	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.5550	0.268	6	109.4064	0.303	238	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.6770	0.082	4	109.4064	0.303	238	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.8675	0.144	2	109.4064	0.303	238	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|O<1>,4|H<1>}	H(C[6]C[6]2H)	109.7845	0.015	2	109.4064	0.303	238	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,6|H<1>}	H(C[6]C[6]2H)	109.3865	0.060	4	109.4064	0.303	238	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.2090	0.789	2	109.4064	0.303	238	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,7|H<1>}	H(C[6]C[6]2H)	109.3640	0.193	4	109.4064	0.303	238	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,8|H<1>}	H(C[6]C[6]2H)	109.3391	0.608	17	109.4064	0.303	238	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,7|H<1>}	H(C[6]C[6]2H)	109.5681	0.205	7	109.4064	0.303	238	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,7|H<1>}	H(C[6]C[6]2H)	109.3591	0.076	11	109.4064	0.303	238	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,7|H<1>}	H(C[6]C[6]2H)	109.5800	0.016	2	109.4064	0.303	238	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,8|H<1>}	H(C[6]C[6]2H)	109.3454	0.080	8	109.4064	0.303	238	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,8|H<1>}	H(C[6]C[6]2H)	109.4085	0.055	10	109.4064	0.303	238	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Si<4>,1|N<3>,2|C<4>,7|H<1>}	H(C[6]C[6]2H)	109.3113	0.169	4	109.4064	0.303	238	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.3732	0.134	4	109.4064	0.303	238	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,6]C[5]2N[6])(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4260	0.044	2	109.4260	0.002	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.8950	0.537	2	109.8888	1.330	6	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(H)2{4|C<4>,5|H<1>}	H(C[6]C[6]2H)	111.1005	1.165	2	109.8888	1.330	6	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6710	0.025	2	109.8888	1.330	6	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[6]C[6]2H)	109.3692	0.185	4	109.3781	0.726	95	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[6]C[6]2H)	109.2765	1.491	28	109.3781	0.726	95	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|S<1>,5|H<1>}	H(C[6]C[6]2H)	109.3640	0.069	3	109.3781	0.726	95	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3678	0.363	4	109.3781	0.726	95	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	110.0345	1.655	2	109.3781	0.726	95	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3850	0.101	4	109.3781	0.726	95	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3367	0.207	4	109.3781	0.726	95	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|F<1>,1|N<3>,3|C<4>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	110.0450	0.365	2	109.3781	0.726	95	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|O<2>,1|S<4>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.6130	0.010	2	109.3781	0.726	95	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.4338	0.419	6	109.3781	0.726	95	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|O<1>,4|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.5260	0.000	1	109.3781	0.726	95	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<2>,1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4168	0.052	5	109.3781	0.726	95	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<2>,4|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5395	0.030	2	109.3781	0.726	95	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3120	0.035	4	109.3781	0.726	95	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4510	0.102	4	109.3781	0.726	95	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.8192	0.048	4	109.3781	0.726	95	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6]2H)	109.4162	0.061	4	109.3781	0.726	95	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.5067	0.041	4	109.3781	0.726	95	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4420	0.014	2	109.3781	0.726	95	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.4578	0.137	4	109.3781	0.726	95	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4190	0.014	2	109.3781	0.726	95	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4310	0.013	2	109.3390	0.651	76	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5037	0.085	4	109.3390	0.651	76	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3495	0.168	31	109.3390	0.651	76	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2998	0.082	4	109.3390	0.651	76	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3030	0.031	4	109.3390	0.651	76	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.3333	0.088	6	109.3390	0.651	76	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4873	0.759	7	109.3390	0.651	76	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5605	0.018	2	109.3390	0.651	76	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|Se<2>,1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4477	0.022	3	109.3390	0.651	76	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7120	0.000	1	109.3390	0.651	76	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4185	0.006	2	109.3390	0.651	76	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3995	0.006	2	109.3390	0.651	76	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2365	0.848	2	109.3390	0.651	76	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.3740	0.041	2	109.3390	0.651	76	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{4|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.5493	3.680	4	109.3390	0.651	76	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|S<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,1|P<4>,6|H<1>}	H(C[6]C[6]2H)	109.3798	0.044	4	109.3798	0.002	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.8760	0.013	2	109.5803	0.197	13	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.1762	0.648	4	109.5803	0.197	13	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5220	0.023	2	109.5803	0.197	13	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8086	0.043	5	109.5803	0.197	13	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]N[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5]N[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.5655	0.070	2	109.5655	0.005	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.6770	0.011	2	109.2306	0.767	10	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6670	1.006	4	109.2306	0.767	10	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5710	0.760	4	109.2306	0.767	10	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.7265	0.702	2	108.7265	0.493	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2343	0.055	3	109.3119	0.004	20	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2730	0.027	4	109.3119	0.004	20	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2970	0.050	4	109.3119	0.004	20	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.3857	0.022	3	109.3119	0.004	20	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.3497	0.052	6	109.3119	0.004	20	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3315	0.013	2	109.3578	0.005	11	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]HH)(H)2{1|O<1>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4560	0.000	1	109.3578	0.005	11	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3521	0.074	8	109.3578	0.005	11	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3270	0.051	16	109.3794	0.016	31	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4614	0.229	7	109.3794	0.016	31	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3522	0.050	4	109.3794	0.016	31	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|S<2>,2|C<4>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4723	0.036	4	109.3794	0.016	31	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3023	0.060	4	109.2559	0.664	217	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4243	0.140	8	109.2559	0.664	217	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4183	0.098	6	109.2559	0.664	217	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.4090	0.018	2	109.2559	0.664	217	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2374	0.860	193	109.2559	0.664	217	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.0990	0.035	2	109.2559	0.664	217	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.7910	0.013	2	109.2559	0.664	217	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<2>}	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2015	0.084	2	109.3196	0.048	9	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<2>}	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4800	0.090	4	109.3196	0.048	9	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|O<2>}	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3510	0.037	2	109.3196	0.048	9	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,1|S<2>,2|C<4>}	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.8510	0.000	1	109.3196	0.048	9	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.4689	0.107	7	109.4689	0.011	7	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,5]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]N[5,5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3688	0.051	4	109.3688	0.003	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6407	0.079	4	109.6407	0.006	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.6893	0.086	4	109.6893	0.007	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.4230	0.202	4	109.4230	0.041	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.8385	0.094	4	109.4172	0.245	78	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3398	0.365	6	109.4172	0.245	78	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5405	0.019	2	109.4172	0.245	78	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{3|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.8510	1.677	2	109.4172	0.245	78	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.5070	0.033	5	109.4172	0.245	78	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3677	0.052	6	109.4172	0.245	78	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5771	0.100	18	109.4172	0.245	78	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.8020	2.568	2	109.4172	0.245	78	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4160	0.004	2	109.4172	0.245	78	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5095	0.029	2	109.4172	0.245	78	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3925	0.028	2	109.4172	0.245	78	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5590	0.019	3	109.4172	0.245	78	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3257	0.143	6	109.4172	0.245	78	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4075	0.042	2	109.4172	0.245	78	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3942	0.113	4	109.4172	0.245	78	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6451	0.294	7	109.4172	0.245	78	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.4790	0.259	2	109.4172	0.245	78	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5590	1.191	2	109.4172	0.245	78	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3800	0.000	1	109.4172	0.245	78	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.3300	0.000	1	109.3300	0.000	1	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]N[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|N<3>}	C[6](C[5,6]N[5,6]N[5]C)(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2585	0.008	2	109.2585	0.000	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,1|S<1>}	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.4695	0.035	2	108.4695	0.001	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]O[5]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|O<2>}	C[6](C[5,6]O[5]2O[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6560	0.000	1	109.6560	0.000	1	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]P[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[5,6]P[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|S<1>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7922	1.446	4	108.7922	2.090	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.3890	0.056	4	109.5464	0.331	8	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7037	0.838	4	109.5464	0.331	8	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5020	0.023	2	109.5405	0.002	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5790	0.013	2	109.5405	0.002	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[5,6]C[3,5,6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[3,5,6]C[5,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.3615	0.037	2	109.3615	0.001	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2680	0.065	2	109.2680	0.004	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[5,6]C[3,5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[3,5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6]C[6]2H)	109.3208	0.029	4	109.3208	0.001	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.0595	0.033	2	109.0595	0.001	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.1900	0.232	4	109.0680	0.038	9	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.0520	0.041	2	109.0680	0.038	9	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9160	0.079	3	109.0680	0.038	9	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0320	0.004	2	109.0323	0.000	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>,3|O<2>}	H(C[6]C[6]2H)	109.0325	0.035	2	109.0323	0.000	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9868	0.077	4	109.5137	0.382	14	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.8144	0.662	8	109.5137	0.382	14	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3650	0.069	2	109.5137	0.382	14	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.4250	0.034	2	109.4250	0.001	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.1600	0.080	8	109.1600	0.006	8	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.0720	0.235	4	109.0720	0.055	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.1716	1.590	12	109.3529	0.871	41	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3615	0.031	4	109.3529	0.871	41	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.3118	0.169	4	109.3529	0.871	41	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5794	0.813	10	109.3529	0.871	41	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.3565	0.100	11	109.3529	0.871	41	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4408	3.140	4	109.4408	9.862	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0860	0.000	1	109.2973	0.034	3	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4030	0.008	2	109.2973	0.034	3	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]PtH)(H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]PtH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|Pt<4>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9905	0.059	2	108.9905	0.003	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]SiH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]SiH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|Si<4>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.1470	0.031	2	109.1470	0.001	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[5,6]HH)(H)2	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[5,6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8467	0.061	7	109.8467	0.004	7	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,6|H<1>}	H(C[6]C[6]2H)	109.4685	1.083	2	109.4685	1.172	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[5,6]HS)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[5,6]HS)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,1|S<3>,3|H<1>}	H(C[6]C[6]2H)	108.8695	0.016	2	108.8695	0.000	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6275	0.015	2	108.6275	0.000	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	C[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.7340	0.035	2	109.7340	0.001	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.4980	0.027	2	109.4847	0.001	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4715	0.015	2	109.4847	0.001	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5920	0.030	2	109.5920	0.001	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.9500	0.006	2	109.7291	0.322	17	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.1345	0.021	2	109.7291	0.322	17	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|N<4>,5|H<1>}	H(C[6]C[6]2H)	109.4558	0.132	11	109.7291	0.322	17	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.6055	1.483	2	109.7291	0.322	17	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{3|C<3>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{1|N<2>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.2450	0.013	2	109.2450	0.000	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4860	0.107	4	109.4860	0.011	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,5|H<1>}	H(C[6]C[6]2H)	109.6180	0.013	2	109.6180	0.000	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2055	0.021	2	109.4022	0.031	9	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5770	0.055	4	109.4022	0.031	9	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.3003	0.053	3	109.4022	0.031	9	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]CH)(H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]CH)(H)2{1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	110.4490	1.160	2	110.4490	1.345	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.7365	0.012	4	109.7365	0.000	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.9370	0.000	1	109.9370	0.000	1	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.4730	2.554	2	109.4730	6.523	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.9528	0.681	12	109.7539	0.465	21	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.1175	0.021	2	109.7539	0.465	21	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2860	1.567	2	109.7539	0.465	21	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7278	0.046	4	109.7539	0.465	21	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.6800	0.000	1	109.7539	0.465	21	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9865	0.039	2	108.9865	0.002	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,1|S<4>,3|H<1>}	H(C[6]C[6]2H)	109.7558	0.044	4	109.7775	0.002	6	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8210	0.018	2	109.7775	0.002	6	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.6300	0.004	2	109.6300	0.000	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.2255	0.005	2	109.2255	0.000	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	110.0540	0.013	4	110.0540	0.000	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]HO)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.4410	0.190	12	109.4410	0.036	12	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]HO)(H)2	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HO)(H)2{1|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.3625	0.032	2	109.3625	0.001	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]S[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]S[6]HH)(H)2{1|N<4>,2|C<4>,2|O<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|S<4>,2|C<4>,8|H<1>}	H(C[6]C[6]2H)	109.1580	0.034	2	109.1580	0.001	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]Si[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]Si[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,1|O<2>,5|H<1>}	H(C[6]C[6]2H)	111.1190	1.263	2	111.1190	1.595	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3787	0.774	4	109.3787	0.599	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	111.1960	0.638	2	111.1960	0.407	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7495	0.019	2	109.2854	0.152	41	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.7530	0.010	2	109.2854	0.152	41	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0000	0.407	2	109.2854	0.152	41	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|N<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6355	0.033	2	109.2854	0.152	41	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.6560	0.000	1	109.2854	0.152	41	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0115	0.047	2	109.2854	0.152	41	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3058	0.368	28	109.2854	0.152	41	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0925	0.039	2	109.2854	0.152	41	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,5,6]C[6a]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<4>}	C[6](C[5,6]C[5,5,6]C[6a]N[5])(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7536	0.081	5	109.7536	0.007	5	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<4>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.7767	0.087	6	109.6169	0.185	7	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|N<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.6580	0.000	1	109.6169	0.185	7	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	109.4170	0.000	1	109.4170	0.000	1	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8900	0.027	5	109.7475	0.046	8	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4215	0.005	2	109.7475	0.046	8	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6870	0.000	1	109.7475	0.046	8	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8885	0.050	6	108.8885	0.003	6	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.0972	0.075	6	109.0972	0.006	6	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]2O)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.1003	0.076	6	109.1003	0.006	6	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|S<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.6345	0.022	2	109.6345	0.000	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.8997	0.196	4	108.8441	1.017	56	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5840	0.018	2	108.8441	1.017	56	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<2>,4|H<1>}	H(C[6]C[6]2H)	108.2925	0.998	4	108.8441	1.017	56	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.6890	0.016	2	108.8441	1.017	56	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9214	1.201	36	108.8441	1.017	56	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6808	0.123	6	108.8441	1.017	56	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6]2H)	109.3480	0.013	2	108.8441	1.017	56	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	108.8847	0.138	4	109.0224	0.026	9	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0250	0.000	1	109.0224	0.026	9	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1620	0.018	2	109.0224	0.026	9	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1570	0.024	2	109.0224	0.026	9	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|Br<1>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0870	0.083	2	109.0870	0.007	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|S<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.6365	0.023	2	109.6365	0.001	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	108.8465	0.123	4	108.8465	0.015	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4250	1.264	2	109.4633	0.620	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5015	0.506	2	109.4633	0.620	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.8737	0.183	3	108.6011	1.143	59	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5401	1.171	48	108.6011	1.143	59	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6887	0.090	6	108.6011	1.143	59	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3940	0.011	2	108.6011	1.143	59	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<4>,2|H<1>,2|S<2>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	109.1260	0.071	7	109.1260	0.005	7	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<4>,4|C<3>}	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.7338	0.143	6	109.7338	0.020	6	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.7000	0.064	2	109.6505	6.153	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	110.6010	3.852	2	109.6505	6.153	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.6570	0.006	2	108.6570	0.000	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.8355	3.958	2	109.8355	15.663	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3140	0.008	3	109.3140	0.000	3	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]N[5,5,6]C[5,5]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6]N[5,5,6]C[5,5]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2780	0.013	2	109.2780	0.000	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]N[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6]N[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.3365	0.006	2	109.2170	0.026	6	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]N[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]N[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.1573	0.169	4	109.2170	0.026	6	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]N[5,5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]N[5,5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.2137	0.128	3	109.2137	0.016	3	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]N[5,6]C[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]2)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.8240	0.132	2	109.8240	0.017	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1140	0.000	1	110.4337	7.454	3	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	111.0935	3.507	2	110.4337	7.454	3	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1575	0.011	2	108.4163	2.555	20	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	107.1405	3.214	2	108.4163	2.555	20	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7860	0.113	3	108.4163	2.555	20	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|N<4>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2795	0.021	2	108.4163	2.555	20	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|N<4>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.2400	0.028	2	108.4163	2.555	20	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	107.7037	1.612	9	108.4163	2.555	20	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]N[5,6]C[5]Si)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5]Si)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.2163	1.684	12	108.2163	2.837	12	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{2|O<2>,3|C<4>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0965	0.016	2	109.2343	0.013	6	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{2|O<2>,3|C<4>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|Si<4>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3032	0.057	4	109.2343	0.013	6	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.1107	0.021	4	109.1730	0.010	6	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2975	0.005	2	109.1730	0.010	6	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{2|O<2>,3|C<4>}	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2588	0.129	6	109.2588	0.017	6	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]O[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]O[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3080	0.017	2	109.3080	0.000	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]O[5,6]C[6a]P[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|Se<2>,1|O<2>,1|P<4>,2|C<3>}	C[6](C[5,6]O[5,6]C[6a]P[5])(C[6]C[6]HH)(H)2{1|Se<1>,1|Se<2>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.5730	0.068	2	109.5730	0.005	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]O[5,6]C[6a]Se[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|Se<2>,1|O<2>,1|P<4>,2|C<3>}	C[6](C[5,6]O[5,6]C[6a]Se[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5855	0.040	2	109.5855	0.002	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]O[5,6]N[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[6](C[5,6]O[5,6]N[5]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1283	0.026	4	109.1283	0.001	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<4>,1|H<1>,3|O<2>}	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.6215	0.008	2	108.6215	0.000	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<4>,1|H<1>,3|O<2>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.2520	0.293	2	109.2520	0.086	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]SiH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]SiH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4535	0.008	4	109.4535	0.000	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]SiH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]SiH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.2220	0.023	6	109.2220	0.001	6	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.0160	0.007	2	109.0160	0.000	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>,3|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.1785	0.036	2	109.1785	0.001	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.2320	0.858	2	108.2320	0.737	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6,6a]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6,6a]O[5]H)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>}	H(C[6]C[6]2H)	108.1530	0.028	2	108.1530	0.001	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]HH)(H)2{3|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.8285	0.009	2	108.8285	0.000	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.8725	0.026	2	108.8725	0.001	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6,6a]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6,6a]O[5]C)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.2910	0.025	2	108.2910	0.001	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]HH)(H)2{1|N<3>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.6940	0.026	3	109.7656	0.014	10	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2{4|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]HH)(H)2{1|N<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.9067	0.120	3	109.7656	0.014	10	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2{4|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.7135	0.060	4	109.7656	0.014	10	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6,6a]N[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2{1|N<2>,1|N<3>,2|C<3>}	C[6](C[5,6]C[6,6a]N[5]2)(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.6320	0.027	2	109.6320	0.001	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]2C[6])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]2C[6])(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2510	0.008	2	109.1955	0.005	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]2C[6])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]2C[6])(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.1400	0.061	2	109.1955	0.005	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2907	0.011	3	109.4231	2.007	11	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4728	1.690	8	109.4231	2.007	11	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5590	0.100	2	109.5590	0.010	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1935	0.012	2	109.1935	0.000	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[5,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.8510	2.394	4	109.8510	5.730	4	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[5,6]HH)(H)2{2|C<4>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.8335	0.105	2	108.8335	0.011	2	109.2742	0.965	3403	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)(I)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)(I){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1950	0.040	2	109.2408	0.003	6	109.0265	0.125	25	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)(I)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)(I){3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2638	0.049	4	109.2408	0.003	6	109.0265	0.125	25	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)(I)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)(I){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0197	0.124	3	109.0197	0.015	3	109.0265	0.125	25	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[5,6]HI)(C[6]C[6]HN)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)(I)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HI)(C[6]C[6]HN)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)(I){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7373	0.101	4	108.7373	0.010	4	109.0265	0.125	25	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HI)(H)2	C[6](C[5,6]C[6,6a]O[5]2)(C[6]C[6]HH)(H)(I)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HI)(H)2{2|C<3>,2|O<2>}	C[6](C[5,6]C[6,6a]O[5]2)(C[6]C[6]HH)(H)(I){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.4830	0.602	2	108.4830	0.363	2	109.0265	0.125	25	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[5,6]HI)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)(I)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[5,6]HI)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)(I){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1244	0.376	10	109.1244	0.141	10	109.0265	0.125	25	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:O-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)(O){3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4105	0.158	2	109.4105	0.025	2	109.4105	0.025	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5x6]HH)(C[6]C[6]HH)(H)2	C[6](C[5x6]C[3x6]C[4x6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5x6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[5x6]C[3x6]C[4x6]2)(C[6]C[6]HH)(H)2{2|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3260	0.000	1	109.3260	0.000	1	109.3260	0.000	1	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]BrH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]BrH)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(Br)(H){2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8697	0.104	4	109.8697	0.011	4	109.1020	0.311	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]BrH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]BrH)(C[6]C[6,6]HH)(H)2{1|Se<2>,2|C<4>,2|H<1>}	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(Br)(H){2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6417	0.036	7	108.6189	0.009	12	109.1020	0.311	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]BrH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]BrH)(C[6]C[6,6]HH)(H)2{1|Se<3>,2|C<4>,2|H<1>}	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(Br)(H){1|Br<1>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5870	0.146	5	108.6189	0.009	12	109.1020	0.311	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(Br)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5735	0.005	2	109.5735	0.000	2	109.1020	0.311	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(Br)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5865	0.018	2	109.5865	0.000	2	109.1020	0.311	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]BrH)(H)2	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]BrH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(Br)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5095	0.005	2	109.5095	0.000	2	109.1020	0.311	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]ClH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]ClH)(C[6]C[6,6]HH)(H)2{1|Se<2>,2|C<4>,2|H<1>}	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(Cl)(H){2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6765	0.051	4	108.6765	0.003	4	109.3879	0.346	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(Cl)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4890	0.011	2	109.4890	0.000	2	109.3879	0.346	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6,6]ClH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6,6]ClH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(Cl)(H){1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.8285	0.343	6	109.8285	0.117	6	109.3879	0.346	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6,6]FF)(C[6]C[6]CO)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(F)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]FF)(C[6]C[6]CO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(F)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	108.8745	0.011	4	108.8745	0.000	4	108.8745	0.000	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6]2H)	109.8095	0.078	2	109.8095	0.006	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]CO)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]CO)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,5|C<4>}	H(C[6]C[6]2H)	109.3545	0.043	2	109.3545	0.002	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6]2H)	108.3160	0.725	2	108.3160	0.526	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.9917	0.108	4	108.9917	0.012	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[6]2H)	108.9755	0.008	2	108.9755	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]N[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]N[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{2|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4830	0.000	1	109.4830	0.000	1	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]N[6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]N[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.1430	0.021	2	109.1430	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6]2H)	108.9993	0.052	8	108.9993	0.003	8	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3]O[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3]O[6]H)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.3145	0.064	2	109.3145	0.004	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3a]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3a]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.0020	0.000	1	109.0020	0.000	1	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x4]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x4]C[6]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.0995	3.511	2	108.0995	12.326	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]CC)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CC)(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.6690	0.016	2	108.6690	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.3035	0.087	6	109.3150	0.005	10	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3323	0.054	4	109.3150	0.005	10	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4360	0.000	1	109.1142	0.037	5	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.9645	0.015	2	109.1142	0.037	5	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2{5|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.1030	0.027	2	109.1142	0.037	5	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HS)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HS)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.7660	0.294	2	110.7660	0.087	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(H)2{5|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.0945	0.011	2	109.0945	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2{5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2912	0.194	12	109.1954	0.032	22	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2{5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.0804	0.047	10	109.1954	0.032	22	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9420	0.040	2	108.9420	0.002	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0355	0.153	4	109.0355	0.023	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,3x6]HO)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,3x6]HO)(C[6]C[6,6]HH)(H)2{5|C<4>}	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2801	0.149	7	109.2801	0.022	7	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,3x6]HO)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,3x6]HO)(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4323	0.146	12	109.4323	0.021	12	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9414	1.228	5	108.9414	1.508	5	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4360	0.055	6	109.2234	0.168	10	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<4>,2|C<4>}	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9045	0.524	4	109.2234	0.168	10	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4105	0.018	2	109.4105	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6,6]HH)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(H)2{2|C<4>,3|O<2>,6|H<1>}	H(C[6]C[6]2H)	109.5860	0.017	2	109.5860	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3620	0.031	2	109.3620	0.001	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1630	0.000	1	109.1630	0.000	1	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[6]2H)	109.0685	0.009	2	109.0685	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,5|C<4>}	H(C[6]C[6]2H)	109.0037	0.110	10	109.0111	0.018	21	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,5|C<4>}	H(C[6]C[6]2H)	109.0179	0.158	11	109.0111	0.018	21	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2{5|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[6]2H)	109.1725	0.025	2	109.1725	0.001	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6]2H)	109.0560	0.000	1	109.3128	0.025	5	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.3770	0.077	4	109.3128	0.025	5	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6]2H)	108.9240	0.133	4	108.8818	0.019	20	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6]2H)	108.8613	0.138	15	108.8818	0.019	20	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0200	0.000	1	108.8818	0.019	20	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2{2|C<4>,3|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.7955	0.043	2	109.7955	0.002	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.2805	0.059	2	108.2805	0.003	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.5565	0.074	2	108.9300	0.188	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.3035	0.005	2	108.9300	0.188	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{2|O<2>,3|C<4>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0895	0.025	2	109.0895	0.001	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[4x6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[4x6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.1000	0.027	2	109.1000	0.001	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5485	0.046	2	108.7674	0.086	8	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6465	0.081	4	108.7674	0.086	8	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.2280	0.033	2	108.7674	0.086	8	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[5a,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[5a,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6675	0.016	2	109.6675	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3485	0.009	2	108.8562	0.087	18	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5490	0.010	2	108.8562	0.087	18	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9080	0.221	6	108.8562	0.087	18	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7710	0.263	8	108.8562	0.087	18	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6a]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{2|C<4>,3|C<3>}	C[6](C[6,6]C[5,6,6]C[6,6a]C)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.1765	0.013	2	109.1765	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5991	0.162	7	109.6382	0.017	13	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6837	0.062	6	109.6382	0.017	13	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1560	0.000	1	107.4015	151.998	7	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.6840	0.010	2	107.4015	151.998	7	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8875	0.121	2	107.4015	151.998	7	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	102.7557	29.170	2	107.4015	151.998	7	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6135	0.019	2	109.3500	0.160	12	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3465	0.028	2	109.3500	0.160	12	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7585	0.008	2	109.3500	0.160	12	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4605	0.410	6	109.3500	0.160	12	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6415	0.040	2	109.6415	0.002	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.5475	0.066	2	109.6634	0.029	11	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.6891	0.176	9	109.6634	0.029	11	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<2>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3570	0.006	2	109.3335	0.001	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6]2H)	109.3100	0.034	2	109.3335	0.001	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.3575	0.025	2	109.3182	0.080	12	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3257	0.430	4	109.3182	0.080	12	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.4855	0.018	2	109.3182	0.080	12	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.2075	0.269	4	109.3182	0.080	12	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{2|C<4>,3|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6100	0.000	1	109.6100	0.000	1	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<2>}	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4135	0.050	2	109.4135	0.003	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<4>,3|C<4>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.1985	0.033	2	109.1985	0.001	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[5,6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.4625	0.097	2	109.4625	0.009	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.4500	0.017	2	109.4500	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.6005	0.095	2	108.6005	0.009	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]O[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[6,6]C[5,6,6]O[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.6995	0.102	4	108.6995	0.010	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,6|C<4>}	H(C[6]C[6]2H)	109.7823	0.092	4	109.7823	0.008	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HS)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HS)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|S<2>,6|C<4>}	H(C[6]C[6]2H)	109.3455	0.025	2	109.3455	0.001	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]C)(C[6]C[6,6]HH)(H)2{1|Re<8>,1|C<3>,1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.5190	0.110	2	109.5190	0.012	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6,6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6]2H)	108.8245	0.042	2	108.8245	0.002	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.8193	0.039	4	109.8193	0.001	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]O)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.9930	0.023	2	108.9930	0.001	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5a,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[5a,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.6875	0.021	2	108.6875	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.7185	0.011	2	108.7185	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5a,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[5a,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.0135	0.005	2	109.0135	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5a,6,6]N[5a,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[6,6]C[5a,6,6]N[5a,6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.0290	0.011	2	109.0290	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5a,6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6]C[5a,6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1290	0.004	2	109.1290	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5a,6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>}	C[6](C[6,6]C[5a,6,6]O[6]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.3975	0.040	2	108.3975	0.002	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5a,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[6](C[6,6]C[5a,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8465	0.107	4	108.8465	0.011	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6]2H)	108.6305	0.005	2	108.6305	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]C)(C[6]C[6,6]HH)(H)2{1|N<2>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[6]2H)	109.0950	0.064	4	109.0950	0.004	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5x6]HO)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[4x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5x6]HO)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[4x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8675	1.056	2	108.8675	1.115	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]BrH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]BrH)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8845	0.039	4	109.8845	0.002	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]BrH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]BrH)(C[6]C[6,6]HH)(H)2{1|Se<2>,2|C<4>,2|H<1>}	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|Br<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5901	0.038	9	108.6000	0.006	16	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]BrH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]BrH)(C[6]C[6,6]HH)(H)2{1|Se<3>,2|C<4>,2|H<1>}	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|Br<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6127	0.108	7	108.6000	0.006	16	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[6]2H)	108.6897	0.092	3	108.6897	0.008	3	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.0495	1.626	2	108.0495	2.643	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2{6|C<4>}	H(C[6]C[6]2H)	109.4315	0.344	2	109.4315	0.119	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.2742	0.055	4	109.1803	0.042	12	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.8545	0.012	2	109.1803	0.042	12	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.2885	0.016	2	109.1803	0.042	12	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9800	0.011	2	109.1803	0.042	12	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{5|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4100	0.020	2	109.1803	0.042	12	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|Cr<9>,1|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|Cr<9>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.3286	0.044	8	109.2264	0.033	11	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<2>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.9895	0.012	2	109.2264	0.033	11	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.8820	0.000	1	109.2264	0.033	11	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<2>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]N)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.9255	0.013	2	108.9255	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6]2H)	109.2550	0.007	2	109.2550	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0065	0.019	2	109.1570	0.024	6	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,2|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.2322	0.131	4	109.1570	0.024	6	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.4123	0.062	6	109.0795	0.191	10	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6]2H)	108.5803	0.107	4	109.0795	0.191	10	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3512	0.286	5	109.2225	0.060	13	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1848	0.129	4	109.2225	0.060	13	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3185	0.013	2	109.2225	0.060	13	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<4>,2|C<3>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.8805	0.016	2	109.2225	0.060	13	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9450	0.038	2	108.9450	0.001	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CN)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CN)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.6365	1.200	6	109.6365	1.441	6	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2{1|Cr<9>,1|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|Cr<9>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.3123	0.129	8	109.1798	0.037	16	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.1663	0.125	4	109.1798	0.037	16	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.9285	0.025	4	109.1798	0.037	16	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[6](C[6,6]C[3x6]C[6]N)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.0930	0.016	2	109.0930	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9035	0.025	2	108.9035	0.001	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]ClH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]ClH)(C[6]C[6,6]HH)(H)2{1|Se<2>,2|C<4>,2|H<1>}	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|Cl<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6580	0.024	4	108.6580	0.001	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HI)(H)2	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HI)(H)2{1|Se<2>,2|C<4>,2|H<1>}	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|I<1>}	H(C[6]C[6]2H)	108.5818	0.249	6	108.5818	0.062	6	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2325	0.073	2	109.3847	0.033	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5370	0.030	2	109.3847	0.033	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,2|O<1>}	H(C[6]C[6]2H)	109.1465	0.013	2	109.1465	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8630	3.981	2	108.9315	3.174	6	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	108.9657	0.049	4	108.9315	3.174	6	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.0310	0.043	4	110.0310	0.002	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]2C)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]2C)(H)2{1|C<3>,1|H<1>,1|N<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.4095	0.005	2	108.4095	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]2C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]2C)(H)2{4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[6]2H)	107.8145	0.021	2	107.8145	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]2H)(H)2	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]2H)(H)2{2|C<3>,5|C<4>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	108.3030	0.051	2	108.3030	0.003	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]2H)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]2H)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.4828	0.066	6	109.4828	0.004	6	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]2H)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]2H)(H)2{3|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.6190	0.016	2	108.6190	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]BH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]BH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0375	0.091	6	109.0375	0.008	6	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]Br2)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]Br2)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|Br<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.8560	0.027	2	108.8560	0.001	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]BrC)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]BrC)(H)2{1|Br<1>,1|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[6]2H)	108.8390	0.028	2	108.8390	0.001	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6955	0.033	2	109.6586	0.002	5	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Br<1>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.6135	0.015	2	109.6586	0.002	5	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Br<1>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.6750	0.000	1	109.6586	0.002	5	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.0480	0.010	2	110.0480	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2{1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7947	0.023	4	109.7947	0.001	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6225	0.009	2	109.6225	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[6]2H)	108.9745	0.046	2	108.9745	0.002	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[3,6,6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[3,6,6]C[6,6]O)(C[6]C[6]HH)(H)2{3|C<3>,4|C<4>}	H(C[6]C[6]2H)	109.2555	0.030	2	109.2555	0.001	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6]2H)	108.6025	0.022	2	108.6025	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6]2H)	109.0035	0.013	2	109.0035	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[6]2H)	108.9720	0.018	2	108.9720	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]HH)(H)2{3|C<3>,4|C<4>}	H(C[6]C[6]2H)	109.0465	0.419	2	109.0465	0.176	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6]2H)	108.8050	0.000	1	108.8481	0.024	13	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.7797	0.186	6	108.8481	0.024	13	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.9237	0.099	6	108.8481	0.024	13	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6]2H)	109.1025	0.135	6	109.1389	0.078	35	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6]2H)	109.2327	0.256	16	109.1389	0.078	35	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{3|C<3>,4|C<4>}	H(C[6]C[6]2H)	109.0590	0.033	2	109.1389	0.078	35	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6]2H)	109.0490	0.008	2	109.1389	0.078	35	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6]2H)	109.0352	0.505	6	109.1389	0.078	35	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[6]2H)	109.0323	0.073	3	109.1389	0.078	35	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|C<3>}	H(C[6]C[6]2H)	109.0035	0.012	2	109.0872	0.019	8	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{3|C<4>,4|C<3>}	H(C[6]C[6]2H)	109.2100	0.020	4	109.0872	0.019	8	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{3|C<3>,4|C<4>}	H(C[6]C[6]2H)	108.9255	0.040	2	109.0872	0.019	8	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.0175	0.011	2	108.9906	0.377	141	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	H(C[6]C[6]2H)	108.8255	0.039	2	108.9906	0.377	141	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.0609	0.930	29	108.9906	0.377	141	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0950	0.000	1	108.9906	0.377	141	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.9255	0.072	13	108.9906	0.377	141	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.0110	0.016	2	108.9906	0.377	141	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.6805	0.030	2	108.9906	0.377	141	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.0793	0.090	6	108.9906	0.377	141	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.8705	0.012	2	108.9906	0.377	141	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.5000	0.074	9	108.9906	0.377	141	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	107.8810	1.906	2	108.9906	0.377	141	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.0109	0.172	24	108.9906	0.377	141	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2498	0.147	33	108.9906	0.377	141	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6]2H)	107.4480	3.326	2	108.9906	0.377	141	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.9860	0.137	12	108.9906	0.377	141	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	H(C[6]C[6]2H)	108.8120	0.013	2	109.0195	0.412	24	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0095	0.038	4	109.0195	0.412	24	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.7380	0.017	2	109.0195	0.412	24	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[6]2H)	108.9670	0.016	2	109.0195	0.412	24	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6660	0.038	2	109.0195	0.412	24	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	110.0093	1.194	4	109.0195	0.412	24	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[6]2H)	109.0045	0.039	2	109.0195	0.412	24	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{8|C<4>}	H(C[6]C[6]2H)	108.6695	0.085	6	109.0195	0.412	24	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	H(C[6]C[6]2H)	108.9980	0.000	1	108.9980	0.000	1	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.6730	0.006	2	108.6730	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6]2H)	108.5553	0.380	10	108.5553	0.144	10	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.8750	0.000	1	109.4123	0.162	3	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|O<1>,3|C<4>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1810	0.048	2	109.4123	0.162	3	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.4022	1.616	4	109.4022	2.610	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	110.0330	0.349	2	110.0330	0.122	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.1785	0.019	2	109.0753	0.320	52	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.0523	0.081	33	109.0753	0.320	52	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.1080	1.001	17	109.0753	0.320	52	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.3565	0.008	2	109.3565	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6]2H)	109.4130	0.010	2	109.4130	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9010	0.057	2	109.1003	0.054	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.2995	0.009	2	109.1003	0.054	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4450	0.053	3	109.4450	0.003	3	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0185	0.059	2	109.2291	0.026	10	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.1390	0.085	2	109.2291	0.026	10	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.3777	0.098	4	109.2291	0.026	10	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6]2H)	109.2325	0.066	2	109.2291	0.026	10	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6]2H)	109.0495	0.006	2	109.0994	0.012	19	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.0445	0.006	2	109.0994	0.012	19	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.0890	0.110	13	109.0994	0.012	19	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6]2H)	109.2720	0.011	2	109.0994	0.012	19	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	109.5475	0.037	2	109.4418	0.010	6	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	109.3890	0.068	4	109.4418	0.010	6	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3497	0.034	3	109.3019	0.056	15	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.7440	0.037	2	109.3019	0.056	15	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.1230	0.021	2	109.3019	0.056	15	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.0610	0.130	2	109.3019	0.056	15	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.5135	0.013	2	109.3019	0.056	15	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.1170	0.011	2	109.3019	0.056	15	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.1815	0.025	2	109.3019	0.056	15	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6]2H)	109.8400	0.037	2	109.2226	0.120	14	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.9000	0.031	2	109.2226	0.120	14	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6]2H)	109.5755	0.052	2	109.2226	0.120	14	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0440	0.020	2	109.2226	0.120	14	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6]2H)	108.8795	0.021	2	109.2226	0.120	14	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6]2H)	109.1595	0.080	4	109.2226	0.120	14	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2870	0.038	2	109.2334	0.280	163	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7370	0.024	2	109.2334	0.280	163	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6243	0.022	4	109.2334	0.280	163	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2500	0.173	10	109.2334	0.280	163	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4983	0.102	3	109.2334	0.280	163	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4393	0.087	4	109.2334	0.280	163	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|S<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	110.1440	0.912	2	109.2334	0.280	163	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.1625	0.016	2	109.2334	0.280	163	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.6065	0.019	2	109.2334	0.280	163	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3800	0.304	3	109.2334	0.280	163	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.1914	0.605	48	109.2334	0.280	163	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.0729	0.121	7	109.2334	0.280	163	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3400	0.170	3	109.2334	0.280	163	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3392	0.044	5	109.2334	0.280	163	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2593	0.078	3	109.2334	0.280	163	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2100	0.000	1	109.2334	0.280	163	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1258	0.100	6	109.2334	0.280	163	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.1895	0.012	2	109.2334	0.280	163	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4457	0.371	6	109.2334	0.280	163	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	107.7993	2.213	3	109.2334	0.280	163	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5377	0.257	3	109.2334	0.280	163	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3530	0.000	1	109.2334	0.280	163	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3845	0.059	2	109.2334	0.280	163	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2894	0.252	7	109.2334	0.280	163	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2640	1.440	2	109.2334	0.280	163	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2345	0.049	2	109.2334	0.280	163	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2920	0.125	11	109.2334	0.280	163	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8505	0.294	11	109.2334	0.280	163	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.3083	0.125	6	109.2334	0.280	163	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	H(C[6]C[6]2H)	109.2550	0.017	2	109.1434	0.605	99	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.0670	0.000	1	109.1434	0.605	99	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6590	0.000	1	109.1434	0.605	99	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6]2H)	109.1400	0.031	2	109.1434	0.605	99	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6]2H)	108.8400	0.048	2	109.1434	0.605	99	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4130	0.027	2	109.1434	0.605	99	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.0765	0.023	2	109.1434	0.605	99	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6]2H)	109.4673	0.691	4	109.1434	0.605	99	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.9310	0.138	4	109.1434	0.605	99	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9844	0.113	10	109.1434	0.605	99	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.3743	0.156	3	109.1434	0.605	99	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.8855	0.019	2	109.1434	0.605	99	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.8630	2.418	4	109.1434	0.605	99	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.2625	0.213	4	109.1434	0.605	99	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.8965	0.056	2	109.1434	0.605	99	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0725	0.032	2	109.1434	0.605	99	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2375	0.008	2	109.1434	0.605	99	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[6]2H)	108.9502	0.481	26	109.1434	0.605	99	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,1|S<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.1500	0.007	2	109.1434	0.605	99	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4770	0.294	6	109.1434	0.605	99	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.0532	0.086	6	109.1434	0.605	99	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8635	0.019	4	109.1434	0.605	99	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.7960	0.081	2	109.1434	0.605	99	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.9985	0.023	2	109.1434	0.605	99	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6]2H)	112.7725	1.651	2	109.1434	0.605	99	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.3910	0.007	2	109.3910	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.7945	0.162	4	109.7945	0.026	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4748	1.223	11	109.4885	1.883	13	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.5635	2.758	2	109.4885	1.883	13	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5160	0.153	3	109.5160	0.023	3	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,7|H<1>}	H(C[6]C[6]2H)	108.9925	0.122	4	108.9925	0.015	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4277	0.133	6	109.4277	0.018	6	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.6030	0.017	4	109.5072	0.010	12	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[6]2H)	109.4948	0.097	5	109.5072	0.010	12	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4300	0.000	1	109.5072	0.010	12	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.3855	0.042	2	109.5072	0.010	12	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|N<3>,1|N<4>,3|H<1>}	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2735	0.006	2	109.3945	0.020	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|N<3>,3|H<1>}	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5155	0.013	2	109.3945	0.020	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,5|C<4>}	H(C[6]C[6]2H)	109.6420	1.997	2	108.9678	0.312	21	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.3607	0.050	3	108.9678	0.312	21	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.8328	0.097	6	108.9678	0.312	21	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.7758	0.243	8	108.9678	0.312	21	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.8770	0.059	2	108.9678	0.312	21	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[6]2H)	109.4522	1.027	9	109.3425	0.903	11	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[6]2H)	108.8490	0.034	2	109.3425	0.903	11	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	108.9050	0.099	5	108.9985	0.037	59	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,7|C<4>}	H(C[6]C[6]2H)	108.7485	0.011	2	108.9985	0.037	59	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6]C[6]2H)	108.7877	0.033	3	108.9985	0.037	59	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.1747	0.134	12	108.9985	0.037	59	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.9280	0.037	3	108.9985	0.037	59	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[6]2H)	108.8900	0.007	2	108.9985	0.037	59	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6]C[6]2H)	108.9958	0.198	32	108.9985	0.037	59	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[6]2H)	109.1830	0.068	2	109.1830	0.005	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	108.5580	0.008	2	108.5580	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,6|C<4>}	H(C[6]C[6]2H)	108.9254	0.595	10	109.0908	0.322	14	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	H(C[6]C[6]2H)	109.5042	0.107	4	109.0908	0.322	14	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]ClC)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClC)(H)2{1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6]2H)	109.1350	0.065	2	109.1350	0.004	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.8807	0.160	12	109.8127	0.034	16	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6088	0.061	4	109.8127	0.034	16	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.6137	0.128	4	109.6762	0.019	6	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8010	0.010	2	109.6762	0.019	6	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3973	0.448	6	109.3973	0.201	6	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2{1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|Cl<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5798	0.059	4	109.5798	0.003	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]FH)(H)2	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]FH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|F<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3885	0.018	2	109.3885	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.5440	0.010	2	109.3950	0.030	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2460	0.024	2	109.3950	0.030	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[3,6,6]O[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[3,6,6]O[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3880	0.000	1	109.3880	0.000	1	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.9395	0.005	2	109.4776	0.034	50	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.2987	0.095	3	109.4776	0.034	50	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4170	0.139	30	109.4776	0.034	50	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5731	0.150	15	109.4776	0.034	50	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.9625	0.040	2	109.2041	0.032	7	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2770	0.068	4	109.2041	0.032	7	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.3960	0.000	1	109.2041	0.032	7	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6500	0.069	4	108.6500	0.005	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[3x6]O[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[3x6]O[6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.4150	0.048	2	109.4150	0.002	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3726	0.156	5	109.3726	0.024	5	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	107.9900	1.110	2	107.9900	1.232	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5715	0.012	2	109.4850	0.239	12	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4390	0.200	4	109.4850	0.239	12	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5023	0.904	4	109.4850	0.239	12	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4560	0.156	2	109.4850	0.239	12	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5975	0.011	2	109.5975	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,5,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]C[5,5,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.3055	0.039	2	110.3055	0.002	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3360	0.017	2	109.3360	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4595	0.016	2	109.4595	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.7325	1.250	8	109.5641	1.182	26	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2275	0.009	2	109.5641	1.182	26	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4560	0.000	1	109.5641	1.182	26	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2750	0.212	2	109.5641	1.182	26	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.5345	0.064	2	109.5641	1.182	26	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4310	0.000	1	109.5641	1.182	26	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8738	2.400	4	109.5641	1.182	26	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4190	0.035	2	109.5641	1.182	26	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.4880	0.006	2	109.5641	1.182	26	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2680	0.007	2	109.5641	1.182	26	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6,6]N[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6,6]C[5,6,6]N[5,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3830	0.010	2	109.3830	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6,6]O[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6]C[5,6,6]O[6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5113	0.043	4	109.5113	0.002	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4860	0.082	13	109.4665	0.017	54	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3966	0.132	10	109.4665	0.017	54	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6395	0.009	2	109.4665	0.017	54	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6530	0.116	4	109.4665	0.017	54	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6115	0.011	2	109.4665	0.017	54	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4259	0.111	23	109.4665	0.017	54	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.0860	0.027	2	109.4441	2.422	22	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5035	0.016	2	109.4441	2.422	22	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2265	0.013	2	109.4441	2.422	22	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.5340	0.123	6	109.4441	2.422	22	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	110.5475	6.843	2	109.4441	2.422	22	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.6455	0.015	2	109.4441	2.422	22	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9010	0.038	2	109.4441	2.422	22	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|S<2>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.9775	0.021	2	109.4441	2.422	22	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3955	0.006	2	109.4441	2.422	22	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	110.5710	0.993	2	110.5710	0.986	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4037	0.212	3	109.3436	0.299	7	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.3015	0.005	2	109.3436	0.299	7	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|O<2>,5|H<1>}	H(C[6]C[6]2H)	109.2955	1.299	2	109.3436	0.299	7	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	111.3260	0.410	2	110.3493	0.638	7	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	110.2360	0.851	2	110.3493	0.638	7	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.7737	0.052	3	110.3493	0.638	7	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5a,6]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[5a,6]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4207	0.031	4	109.4207	0.001	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5a,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5a,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|S<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8955	0.043	2	109.8955	0.002	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.1825	0.022	2	108.1825	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5a,6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[5a,6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.6095	0.033	2	109.2675	0.374	8	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5a,6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[5a,6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1737	0.705	4	109.2675	0.374	8	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5a,6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6,6]C[5a,6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1130	0.899	2	109.2675	0.374	8	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5a,6]C[6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[5a,6]C[6]N[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.3572	0.023	4	109.3572	0.001	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5a,6]C[6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[5a,6]C[6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.1865	1.072	4	108.1865	1.150	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	110.3230	3.175	2	110.3230	10.080	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8055	0.648	2	109.4014	0.208	274	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2432	0.059	5	109.4014	0.208	274	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>,3|O<2>}	H(C[6]C[6]2H)	109.0985	0.021	2	109.4014	0.208	274	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5687	0.114	6	109.4014	0.208	274	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.5500	0.146	6	109.4014	0.208	274	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1780	0.010	2	109.4014	0.208	274	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4887	0.144	10	109.4014	0.208	274	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7535	0.666	22	109.4014	0.208	274	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4190	0.098	6	109.4014	0.208	274	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.6180	0.035	4	109.4014	0.208	274	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3294	0.095	10	109.4014	0.208	274	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3612	0.149	49	109.4014	0.208	274	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5220	0.042	2	109.4014	0.208	274	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9715	0.553	6	109.4014	0.208	274	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1255	0.023	2	109.4014	0.208	274	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7218	0.096	4	109.4014	0.208	274	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0430	0.045	2	109.4014	0.208	274	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3676	0.112	7	109.4014	0.208	274	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3129	0.453	18	109.4014	0.208	274	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5520	0.099	24	109.4014	0.208	274	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Cr<9>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	107.3190	4.175	2	109.4014	0.208	274	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.2472	0.058	5	109.4014	0.208	274	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3722	0.302	78	109.4014	0.208	274	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4625	0.011	2	109.3178	0.141	36	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7050	0.000	1	109.3178	0.141	36	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.0600	0.064	2	109.3178	0.141	36	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6530	0.000	1	109.3178	0.141	36	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4410	0.017	2	109.3178	0.141	36	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.6815	0.028	2	109.3178	0.141	36	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1330	0.067	4	109.3178	0.141	36	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.0648	0.102	6	109.3178	0.141	36	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5070	0.000	1	109.3178	0.141	36	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5540	0.000	1	109.3178	0.141	36	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4165	0.054	2	109.3178	0.141	36	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>,3|O<2>}	H(C[6]C[6]2H)	109.3495	0.008	2	109.3178	0.141	36	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.0205	1.371	2	109.3178	0.141	36	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|S<2>,3|H<1>}	H(C[6]C[6]2H)	109.3600	0.057	2	109.3178	0.141	36	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.2405	0.023	2	109.3178	0.141	36	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>,3|O<2>}	H(C[6]C[6]2H)	109.2430	0.011	2	109.3178	0.141	36	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.7750	0.030	2	109.3178	0.141	36	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.3480	0.018	2	109.3480	0.034	12	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6200	0.048	2	109.3480	0.034	12	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4205	0.005	2	109.3480	0.034	12	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.0220	0.013	2	109.3480	0.034	12	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.3220	0.016	2	109.3480	0.034	12	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3555	0.028	2	109.3480	0.034	12	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6500	0.000	1	109.6500	0.000	1	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.0030	0.064	4	109.3453	0.082	11	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5585	0.011	2	109.3453	0.082	11	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.4545	0.006	2	109.3453	0.082	11	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.4975	0.028	2	109.3453	0.082	11	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.7650	0.000	1	109.3453	0.082	11	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.5240	1.385	2	109.4278	0.341	217	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.6830	0.004	2	109.4278	0.341	217	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.7385	2.385	2	109.4278	0.341	217	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4175	0.039	2	109.4278	0.341	217	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3390	0.000	1	109.4278	0.341	217	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6620	0.067	4	109.4278	0.341	217	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4045	0.035	2	109.4278	0.341	217	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	111.3630	0.363	2	109.4278	0.341	217	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3304	0.048	8	109.4278	0.341	217	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1505	0.373	2	109.4278	0.341	217	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5110	0.045	2	109.4278	0.341	217	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.0210	0.843	4	109.4278	0.341	217	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5590	0.023	2	109.4278	0.341	217	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2732	0.059	4	109.4278	0.341	217	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4140	0.016	2	109.4278	0.341	217	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3342	0.085	5	109.4278	0.341	217	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.2037	0.091	6	109.4278	0.341	217	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2830	0.087	8	109.4278	0.341	217	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3275	0.009	2	109.4278	0.341	217	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3118	0.066	9	109.4278	0.341	217	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3399	0.072	7	109.4278	0.341	217	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5190	0.013	2	109.4278	0.341	217	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4295	0.114	4	109.4278	0.341	217	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5270	0.031	2	109.4278	0.341	217	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5615	0.100	4	109.4278	0.341	217	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3760	0.037	2	109.4278	0.341	217	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5687	0.066	4	109.4278	0.341	217	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.1730	0.047	2	109.4278	0.341	217	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4333	0.331	15	109.4278	0.341	217	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.9395	0.009	2	109.4278	0.341	217	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6435	0.032	2	109.4278	0.341	217	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3115	0.084	2	109.4278	0.341	217	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6]2H)	108.3035	1.204	2	109.4278	0.341	217	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3317	0.153	8	109.4278	0.341	217	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5605	0.053	2	109.4278	0.341	217	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	111.0380	0.334	4	109.4278	0.341	217	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4425	0.022	2	109.4278	0.341	217	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6630	0.014	2	109.4278	0.341	217	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2872	0.229	6	109.4278	0.341	217	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4305	0.005	2	109.4278	0.341	217	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0998	1.310	17	109.4278	0.341	217	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.6480	0.035	2	109.4278	0.341	217	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.5621	0.619	8	109.4278	0.341	217	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6313	0.089	3	109.4278	0.341	217	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3765	0.133	40	109.4278	0.341	217	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|F<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.7475	0.079	10	109.7475	0.006	10	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6463	0.077	3	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5450	0.033	2	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5610	0.705	3	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3435	0.019	2	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6]2H)	109.5515	0.009	2	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.6910	0.008	2	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	106.7915	1.315	2	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|P<4>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7360	0.000	1	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4440	0.000	1	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3543	1.262	6	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.5736	0.100	8	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6]C[6]2H)	109.4630	0.000	1	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2800	0.121	4	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7592	0.738	4	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2820	0.000	1	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0941	2.588	25	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2825	0.011	2	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1665	0.009	2	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4455	0.144	2	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.0805	0.012	2	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2418	0.187	6	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.1598	1.038	4	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3600	0.017	2	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3270	0.219	3	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4597	0.170	11	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4115	0.023	2	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.6590	0.048	2	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.7900	0.014	2	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	110.2795	0.746	2	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.2618	0.363	23	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5960	0.000	1	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.6875	0.096	4	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2695	0.035	2	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.8980	0.010	2	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5160	0.011	2	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3320	0.020	2	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.3000	0.014	2	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4310	0.021	2	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2185	0.165	2	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4008	0.118	12	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.4472	0.041	4	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4300	0.244	4	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3721	0.102	13	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|B<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2825	0.023	2	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.6630	0.008	2	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6510	0.000	1	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.9675	0.046	2	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1800	0.000	1	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5960	0.000	1	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4923	0.109	10	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.2525	0.013	2	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	110.1630	0.535	2	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.4875	2.971	2	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.5740	0.000	1	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4450	0.011	2	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.4896	0.035	5	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.1170	1.167	2	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5715	0.026	2	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8318	0.873	23	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6170	0.033	2	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4188	0.058	8	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2260	0.513	6	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3610	0.138	7	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3590	0.018	2	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(C[6]C[6]2H)	111.4050	1.836	2	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2883	0.330	3	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5965	0.008	2	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.4065	0.016	2	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|In<4>,1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9125	0.763	2	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8690	1.324	7	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4769	0.283	17	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4744	0.183	12	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,1|S<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5430	0.025	2	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4962	0.127	6	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|B<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4850	0.000	1	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5279	2.101	29	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.0770	0.667	49	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3401	1.126	27	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.0770	0.020	2	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ir<5>,1|P<4>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.9233	0.167	6	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ir<6>,1|P<4>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9435	0.081	2	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ir<7>,1|P<4>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2010	0.013	2	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.6620	0.245	4	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.5635	0.005	2	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4180	1.888	4	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5800	0.276	3	109.3431	1.072	455	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.3900	0.138	4	109.3900	0.019	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.6055	0.008	2	109.3948	0.106	84	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5065	0.094	2	109.3948	0.106	84	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4280	0.132	4	109.3948	0.106	84	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.4840	0.018	2	109.3948	0.106	84	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5798	0.068	4	109.3948	0.106	84	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3260	0.010	2	109.3948	0.106	84	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2530	0.000	1	109.3948	0.106	84	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3406	0.193	5	109.3948	0.106	84	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6]2H)	109.2415	0.868	2	109.3948	0.106	84	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2380	0.047	2	109.3948	0.106	84	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9760	0.006	2	109.3948	0.106	84	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.6030	0.000	1	109.3948	0.106	84	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1088	0.774	8	109.3948	0.106	84	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.4870	0.007	2	109.3948	0.106	84	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.6960	0.007	2	109.3948	0.106	84	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.6525	0.028	2	109.3948	0.106	84	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3826	0.120	10	109.3948	0.106	84	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|S<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3680	0.088	4	109.3948	0.106	84	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6104	0.444	7	109.3948	0.106	84	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4080	0.011	2	109.3948	0.106	84	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3756	0.104	16	109.3948	0.106	84	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4420	0.006	2	109.3948	0.106	84	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3760	0.081	3	109.4384	0.075	17	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3675	0.307	4	109.4384	0.075	17	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4235	0.168	4	109.4384	0.075	17	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2810	0.082	4	109.4384	0.075	17	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	110.0185	0.025	2	109.4384	0.075	17	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]S)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|S<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]S)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1088	0.122	4	109.1088	0.015	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]S[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|S<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]S[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(C[6]C[6]2H)	109.3066	0.046	7	109.3066	0.002	7	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6670	0.006	2	109.6670	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]In[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|In<4>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]In[6]H)(C[6]C[6]HH)(H)2{2|Br<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4605	0.988	2	109.4605	0.976	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	106.6520	1.356	2	108.3548	2.108	6	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2062	0.021	4	108.3548	2.108	6	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]N[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7705	0.047	2	109.7705	0.002	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2H)	112.8525	0.431	2	109.6163	1.725	216	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.9478	0.119	21	109.6163	1.725	216	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3577	0.022	4	109.6163	1.725	216	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3812	0.568	4	109.6163	1.725	216	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.9580	0.523	4	109.6163	1.725	216	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.7092	1.137	21	109.6163	1.725	216	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	111.0990	1.588	2	109.6163	1.725	216	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|Cu<4>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.8444	1.178	10	109.6163	1.725	216	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|Cu<5>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.4877	0.745	7	109.6163	1.725	216	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|Hg<4>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.5905	0.159	4	109.6163	1.725	216	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|Li<4>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.8908	0.344	25	109.6163	1.725	216	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|Ni<4>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.6955	0.173	4	109.6163	1.725	216	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|Pd<4>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.4606	1.539	59	109.6163	1.725	216	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|Pd<5>,1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	104.8117	4.328	4	109.6163	1.725	216	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|Rh<6>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	110.0212	0.069	4	109.6163	1.725	216	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|Zn<4>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.7373	0.173	13	109.6163	1.725	216	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.0745	0.016	2	109.6163	1.725	216	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6198	0.188	26	109.6163	1.725	216	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]N[6,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0307	0.510	4	109.0307	0.260	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7890	0.024	2	108.7890	0.001	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5020	0.000	1	109.0948	0.669	95	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4255	0.073	2	109.0948	0.669	95	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.0155	0.040	2	109.0948	0.669	95	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	109.3217	0.092	11	109.0948	0.669	95	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	107.1930	0.004	2	109.0948	0.669	95	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|S<4>,3|H<1>}	H(C[6]C[6]2H)	107.0950	0.000	1	109.0948	0.669	95	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	108.8889	0.958	10	109.0948	0.669	95	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,1|S<4>,3|H<1>}	H(C[6]C[6]2H)	109.1925	0.012	2	109.0948	0.669	95	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5956	1.281	11	109.0948	0.669	95	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4817	0.016	3	109.0948	0.669	95	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2630	0.870	4	109.0948	0.669	95	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6039	1.378	8	109.0948	0.669	95	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3011	0.180	8	109.0948	0.669	95	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5060	0.030	2	109.0948	0.669	95	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|O<2>,1|S<4>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5235	0.018	2	109.0948	0.669	95	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3505	0.042	2	109.0948	0.669	95	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|P<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5430	0.000	1	109.0948	0.669	95	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5708	0.087	6	109.0948	0.669	95	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.2528	0.093	6	109.0948	0.669	95	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5650	0.036	4	109.0948	0.669	95	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4420	0.000	1	109.0948	0.669	95	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3487	0.142	6	109.0948	0.669	95	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5840	0.965	4	109.5840	0.932	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.6410	0.020	2	109.6284	0.004	5	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]O[6])(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.6695	0.011	2	109.6284	0.004	5	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]O[6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5210	0.000	1	109.6284	0.004	5	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]2)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.8970	0.004	2	109.8158	0.009	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]2)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.7345	0.030	2	109.8158	0.009	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7260	0.000	1	109.3459	0.040	10	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5830	0.000	1	109.3459	0.040	10	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2687	0.129	8	109.3459	0.040	10	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6]2H)	107.4695	0.056	2	109.5400	0.783	40	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.3948	0.487	4	109.5400	0.783	40	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3392	0.063	6	109.5400	0.783	40	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.3570	0.090	6	109.5400	0.783	40	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8865	2.075	2	109.5400	0.783	40	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.8430	0.833	2	109.5400	0.783	40	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	110.8625	2.572	2	109.5400	0.783	40	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.5340	0.014	2	109.5400	0.783	40	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2515	0.009	2	109.5400	0.783	40	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5263	0.138	4	109.5400	0.783	40	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.0957	0.351	4	109.5400	0.783	40	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4158	0.055	4	109.5400	0.783	40	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]N)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1880	0.011	2	109.1880	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6649	0.674	10	109.5152	0.222	22	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1495	0.006	2	109.5152	0.222	22	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4680	0.036	4	109.5152	0.222	22	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3675	0.011	2	109.5152	0.222	22	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4447	0.055	4	109.5152	0.222	22	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.2195	0.018	2	109.0983	1.395	9	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	108.2287	1.930	3	109.0983	1.395	9	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6900	0.061	4	109.0983	1.395	9	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6a]C[3x6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[3x6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1455	0.018	2	109.1455	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6870	0.007	2	109.3875	0.041	145	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1903	0.191	6	109.3875	0.041	145	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,3|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6055	0.030	2	109.3875	0.041	145	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.1350	0.010	4	109.3875	0.041	145	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4020	0.030	2	109.3875	0.041	145	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6885	0.066	2	109.3875	0.041	145	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4406	0.180	49	109.3875	0.041	145	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3623	0.223	9	109.3875	0.041	145	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2655	0.028	2	109.3875	0.041	145	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.1342	0.319	8	109.3875	0.041	145	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3909	0.158	57	109.3875	0.041	145	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5030	0.004	2	109.3875	0.041	145	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.8600	0.000	1	109.2915	0.046	6	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4070	0.018	2	109.2915	0.046	6	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3583	0.028	3	109.2915	0.046	6	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4095	0.100	6	109.4095	0.010	6	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.3220	0.024	4	109.3220	0.001	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6]C[6,6a]C[6]N[6])(C[6]C[6]HH)(H)2{1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	110.3320	1.121	2	110.3320	1.258	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3017	0.032	3	109.4843	0.067	6	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.5185	0.015	2	109.4843	0.067	6	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.9640	0.000	1	109.4843	0.067	6	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	110.1040	0.013	2	110.1040	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9650	0.068	2	109.2691	2.030	67	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[6]C[6]2H)	109.4349	0.079	7	109.2691	2.030	67	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4292	0.090	6	109.2691	2.030	67	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,1|S<4>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4784	0.318	8	109.2691	2.030	67	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.6860	0.040	2	109.2691	2.030	67	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,6|H<1>}	H(C[6]C[6]2H)	109.3653	0.143	8	109.2691	2.030	67	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|S<2>,6|H<1>}	H(C[6]C[6]2H)	109.4420	0.039	6	109.2691	2.030	67	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.3864	0.163	7	109.2691	2.030	67	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{1|N<3>,1|S<4>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	107.5877	1.587	4	109.2691	2.030	67	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.3795	0.143	4	109.2691	2.030	67	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	108.6024	6.046	4	109.2691	2.030	67	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3945	0.411	2	109.2691	2.030	67	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{4|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.5624	0.106	7	109.2691	2.030	67	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8060	0.006	2	109.4269	0.040	68	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4290	0.062	6	109.4269	0.040	68	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.0995	0.054	2	109.4269	0.040	68	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.5360	0.013	2	109.4269	0.040	68	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3020	0.037	2	109.4269	0.040	68	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.8522	0.172	5	109.4269	0.040	68	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|B<3>,1|C<4>,1|N<3>,6|H<1>}	H(C[6]C[6]2H)	109.4560	0.020	2	109.4269	0.040	68	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(C[6]C[6]2H)	109.3776	0.103	7	109.4269	0.040	68	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3931	0.059	8	109.4269	0.040	68	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.3734	0.180	8	109.4269	0.040	68	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.3609	0.173	14	109.4269	0.040	68	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.3067	0.031	4	109.4269	0.040	68	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.3407	0.084	4	109.4269	0.040	68	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{4|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.6900	0.088	2	109.4269	0.040	68	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2P[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|P<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]2P[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.3937	0.028	4	109.3858	0.038	11	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2P[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|P<4>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]2P[6])(C[6]C[6]HH)(H)2{1|Pd<4>,1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.3813	0.251	7	109.3858	0.038	11	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2S[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,1|S<2>,2|C<4>}	C[6](C[6,6]C[6]2S[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.3151	0.194	12	109.1398	0.517	41	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2S[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|S<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]2S[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.0673	0.840	29	109.1398	0.517	41	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.2120	0.017	2	109.4088	0.244	51	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4735	0.012	2	109.4088	0.244	51	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3550	0.039	6	109.4088	0.244	51	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,6|H<1>}	H(C[6]C[6]2H)	109.3868	0.124	4	109.4088	0.244	51	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	H(C[6]C[6]2H)	109.3923	0.053	6	109.4088	0.244	51	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,2|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.3140	0.034	2	109.4088	0.244	51	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,7|H<1>}	H(C[6]C[6]2H)	109.3390	0.025	2	109.4088	0.244	51	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,8|H<1>}	H(C[6]C[6]2H)	109.4030	0.000	1	109.4088	0.244	51	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.2897	0.058	3	109.4088	0.244	51	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,8|H<1>}	H(C[6]C[6]2H)	109.2390	0.365	10	109.4088	0.244	51	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,8|H<1>}	H(C[6]C[6]2H)	109.3165	0.041	4	109.4088	0.244	51	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.3637	0.129	7	109.4088	0.244	51	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,7|H<1>}	H(C[6]C[6]2H)	111.3345	1.705	2	109.4088	0.244	51	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]N[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6]N[6]2)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2632	0.118	8	109.4051	0.017	46	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]N[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6]N[6]2)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4557	0.042	3	109.4051	0.017	46	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]N[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	C[6](C[6,6]C[6]N[6]2)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.4333	0.126	31	109.4051	0.017	46	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]N[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	C[6](C[6,6]C[6]N[6]2)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4327	0.030	4	109.4051	0.017	46	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]N[6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6]N[6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.2612	0.078	4	109.1194	0.272	17	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]N[6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6]N[6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1109	0.266	11	109.1194	0.272	17	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]N[6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6]N[6]O[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8825	1.852	2	109.1194	0.272	17	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8425	0.012	2	109.4172	0.287	110	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.0895	0.016	2	109.4172	0.287	110	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.3780	2.809	2	109.4172	0.287	110	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|Br<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.6180	0.598	2	109.4172	0.287	110	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7991	1.201	12	109.4172	0.287	110	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3375	0.112	53	109.4172	0.287	110	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.3435	0.076	4	109.4172	0.287	110	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|Fe<7>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7732	0.053	4	109.4172	0.287	110	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2983	0.057	3	109.4172	0.287	110	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3122	0.097	18	109.4172	0.287	110	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6975	0.111	8	109.4172	0.287	110	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|S<2>}	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3533	0.051	4	109.4021	0.006	8	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|S<2>}	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5045	0.028	2	109.4021	0.006	8	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|S<2>,3|C<4>}	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3975	0.022	2	109.4021	0.006	8	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4650	0.028	2	109.4650	0.001	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]N[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|N<3>,3|H<1>}	C[6](C[6,6]N[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.7280	0.000	1	109.7280	0.000	1	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]N[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|N<3>,3|H<1>}	C[6](C[6,6]N[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.7823	0.219	9	109.8089	0.029	16	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]N[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|N<3>,3|H<1>}	C[6](C[6,6]N[6,6]2H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.8430	0.071	7	109.8089	0.029	16	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.3452	0.143	30	109.5104	0.203	66	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7165	0.057	2	109.5104	0.203	66	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8325	0.009	2	109.5104	0.203	66	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8805	0.046	2	109.5104	0.203	66	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.7120	0.000	1	109.5104	0.203	66	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|S<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.8090	0.058	2	109.5104	0.203	66	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0375	0.477	2	109.5104	0.203	66	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5705	0.032	2	109.5104	0.203	66	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7368	0.125	6	109.5104	0.203	66	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.7490	0.051	2	109.5104	0.203	66	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7805	0.005	2	109.5104	0.203	66	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|S<4>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6535	0.005	2	109.5104	0.203	66	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6195	1.979	2	109.5104	0.203	66	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.9105	1.258	2	109.5104	0.203	66	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4685	0.043	2	109.5104	0.203	66	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3572	0.141	4	109.5104	0.203	66	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7160	0.000	1	109.5104	0.203	66	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]N[6,6]C[6]Si)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]Si)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	110.6760	0.951	3	110.6760	0.905	3	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|N<3>,3|H<1>}	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2920	0.014	2	109.2920	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5467	1.726	6	109.2434	1.541	14	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8118	0.017	4	109.2434	1.541	14	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|H<1>}	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7203	0.095	4	109.2434	1.541	14	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HI)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HI)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|I<1>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.5667	0.067	4	109.5667	0.004	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HI)(H)2	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HI)(H)2{1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|I<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8578	0.071	4	109.8578	0.005	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.6995	0.052	4	109.6248	0.146	27	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3503	0.176	6	109.6248	0.146	27	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	110.0273	0.065	4	109.6248	0.146	27	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.7390	0.006	2	109.6248	0.146	27	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|N<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.3105	0.013	2	109.6248	0.146	27	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.9330	0.083	3	109.6248	0.146	27	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|N<4>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.9795	0.019	4	109.6248	0.146	27	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>,4|C<4>}	H(C[6]C[6]2H)	110.0220	0.011	2	109.6248	0.146	27	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0075	0.026	2	109.0075	0.001	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.9708	0.191	6	109.9235	0.034	8	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7815	0.023	2	109.9235	0.034	8	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4480	0.246	4	109.4480	0.061	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]2H)	109.0875	0.061	4	109.0875	0.004	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.3575	0.035	2	109.8678	0.131	12	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]2H)	110.0261	0.313	8	109.8678	0.131	12	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.7445	0.005	2	109.8678	0.131	12	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.9140	0.400	4	108.9140	0.160	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4690	0.140	16	109.4871	0.017	22	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.4903	0.064	4	109.4871	0.017	22	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.6260	0.010	2	109.4871	0.017	22	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[4x6]C[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[4x6]C[6]2)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.6494	0.233	5	109.6494	0.054	5	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[5,5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[5,5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2H)	111.9400	0.288	2	111.9400	0.083	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.4060	0.025	4	109.4060	0.001	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4926	0.414	5	109.4926	0.172	5	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5920	0.361	3	109.5209	0.176	72	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.9150	0.880	10	109.5209	0.176	72	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.3840	0.020	4	109.5209	0.176	72	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.0390	0.000	1	109.5209	0.176	72	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0325	0.019	2	109.5209	0.176	72	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.4853	0.036	3	109.5209	0.176	72	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.4937	0.060	6	109.5209	0.176	72	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6856	0.249	13	109.5209	0.176	72	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.3073	0.161	3	109.5209	0.176	72	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.3761	0.284	9	109.5209	0.176	72	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.4950	0.000	1	109.5209	0.176	72	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.4005	0.179	17	109.5209	0.176	72	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.0730	0.007	2	109.0730	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|Br<1>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.3620	0.048	2	109.4851	0.455	992	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.7013	0.053	4	109.4851	0.455	992	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.9200	0.013	2	109.4851	0.455	992	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.7975	0.024	6	109.4851	0.455	992	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6910	0.028	2	109.4851	0.455	992	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3550	0.061	4	109.4851	0.455	992	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4415	0.418	2	109.4851	0.455	992	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.6775	0.098	2	109.4851	0.455	992	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.6129	0.242	232	109.4851	0.455	992	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7080	0.102	2	109.4851	0.455	992	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7015	0.050	2	109.4851	0.455	992	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1972	0.089	8	109.4851	0.455	992	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4503	0.240	18	109.4851	0.455	992	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3731	0.195	7	109.4851	0.455	992	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.2552	0.146	10	109.4851	0.455	992	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.2542	0.301	4	109.4851	0.455	992	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|Cl<1>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.3273	0.084	7	109.4851	0.455	992	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.1355	0.023	2	109.4851	0.455	992	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.4791	0.451	12	109.4851	0.455	992	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.5470	0.170	6	109.4851	0.455	992	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2227	0.133	4	109.4851	0.455	992	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3575	0.026	2	109.4851	0.455	992	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3636	0.240	12	109.4851	0.455	992	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.3727	0.125	8	109.4851	0.455	992	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.3227	0.081	7	109.4851	0.455	992	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>,3|O<2>}	H(C[6]C[6]2H)	109.2740	0.096	2	109.4851	0.455	992	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.1220	0.016	2	109.4851	0.455	992	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.8750	0.157	4	109.4851	0.455	992	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.4805	1.026	371	109.4851	0.455	992	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.3208	0.129	32	109.4851	0.455	992	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3649	0.464	55	109.4851	0.455	992	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.4835	0.042	2	109.4851	0.455	992	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.4535	0.349	153	109.4851	0.455	992	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.7653	0.036	4	109.4851	0.455	992	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[6]2H)	109.3375	0.047	6	109.2596	1.909	18	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.5225	0.035	2	109.2596	1.909	18	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.5580	5.524	2	109.2596	1.909	18	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.3952	0.339	6	109.2596	1.909	18	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[6]2H)	109.0580	0.008	2	109.2596	1.909	18	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.0740	0.020	2	109.0740	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7480	0.000	1	109.5800	5.104	57	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.5400	7.460	2	109.5800	5.104	57	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.8410	0.000	1	109.5800	5.104	57	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4390	0.021	2	109.5800	5.104	57	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.7000	0.020	2	109.5800	5.104	57	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.1300	0.030	2	109.5800	5.104	57	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6380	0.042	2	109.5800	5.104	57	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5005	0.064	2	109.5800	5.104	57	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	110.0165	0.029	2	109.5800	5.104	57	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[6]C[6]2H)	109.4800	0.007	2	109.5800	5.104	57	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7223	0.371	4	109.5800	5.104	57	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5700	0.020	2	109.5800	5.104	57	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1775	5.631	8	109.5800	5.104	57	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6420	0.010	2	109.5800	5.104	57	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6200	0.062	2	109.5800	5.104	57	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<4>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7670	0.018	2	109.5800	5.104	57	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.8840	0.024	2	109.5800	5.104	57	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7700	0.470	9	109.5800	5.104	57	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.2920	0.006	2	109.5800	5.104	57	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.2993	0.339	6	109.5800	5.104	57	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.3735	0.013	2	109.4521	0.113	28	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6217	0.034	3	109.4521	0.113	28	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5854	0.085	5	109.4521	0.113	28	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[6]2H)	109.0495	0.121	6	109.4521	0.113	28	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|S<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1620	0.000	1	109.4521	0.113	28	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6290	0.000	1	109.4521	0.113	28	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.5053	0.129	4	109.4521	0.113	28	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7465	0.029	2	109.4521	0.113	28	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>,3|O<2>}	H(C[6]C[6]2H)	110.1390	0.523	2	109.4521	0.113	28	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.1200	0.033	2	109.4521	0.113	28	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.9850	0.006	2	108.9850	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5700	0.000	1	109.5700	0.000	1	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.5755	0.025	2	109.2769	0.058	12	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2172	0.218	10	109.2769	0.058	12	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.6015	0.034	4	109.6015	0.001	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6793	0.094	6	109.6793	0.009	6	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HS)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HS)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|S<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.7350	2.086	2	110.7350	4.351	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]NN)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]NN)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>,4|C<4>}	H(C[6]C[6]2H)	109.1405	0.005	2	109.1405	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]OO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]OO)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.3115	0.008	2	109.3115	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]SeH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]SeH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|Se<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3195	0.050	2	109.3195	0.003	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]CH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]CH)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2050	0.000	1	109.2050	0.000	1	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]CO)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]CO)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	108.9885	0.061	4	108.9885	0.004	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.5094	0.340	7	109.9004	0.059	39	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.9819	0.091	30	109.9004	0.059	39	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2{4|C<4>}	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	110.0455	0.008	2	109.9004	0.059	39	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.6910	0.058	4	109.5846	0.114	18	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.4410	0.010	2	109.5846	0.114	18	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4140	0.010	2	109.5846	0.114	18	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2{4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.6048	0.445	10	109.5846	0.114	18	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2{1|O<2>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5995	0.008	2	109.3372	0.078	6	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2{1|O<2>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2060	0.248	4	109.3372	0.078	6	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HO)(H)2	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HO)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3960	0.007	2	109.3960	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.5805	0.030	2	109.5817	0.054	24	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|N<4>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5650	0.006	2	109.5817	0.054	24	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|N<4>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5260	0.000	1	109.5817	0.054	24	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.5865	0.078	2	109.5817	0.054	24	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|N<4>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4985	0.012	2	109.5817	0.054	24	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.7089	0.151	12	109.5817	0.054	24	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|N<4>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1553	0.343	3	109.5817	0.054	24	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.6580	0.013	2	109.7498	0.256	36	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.6160	0.018	2	109.7498	0.256	36	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5110	0.044	4	109.7498	0.256	36	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.5075	0.023	4	109.7498	0.256	36	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.6635	0.120	4	109.7498	0.256	36	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{4|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.9111	0.680	18	109.7498	0.256	36	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{4|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.6580	0.047	2	109.7498	0.256	36	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.4245	0.046	2	109.4944	0.027	30	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|N<4>,5|H<1>}	H(C[6]C[6]2H)	109.3900	0.011	2	109.4944	0.027	30	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4140	0.006	2	109.4944	0.027	30	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|N<4>,5|H<1>}	H(C[6]C[6]2H)	109.2360	0.075	2	109.4944	0.027	30	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.6019	0.113	14	109.4944	0.027	30	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3315	0.006	2	109.4944	0.027	30	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5790	0.030	2	109.4944	0.027	30	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|N<4>,5|H<1>}	H(C[6]C[6]2H)	109.4142	0.235	4	109.4944	0.027	30	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|N<4>,5|H<1>}	H(C[6]C[6]2H)	109.5725	0.042	2	109.6437	0.016	3	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|O<2>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7860	0.000	1	109.6437	0.016	3	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](C[6,6]C[4,3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[4,3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2960	0.025	2	109.2960	0.001	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.6410	0.010	2	109.2413	0.059	10	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2560	0.008	2	109.2413	0.059	10	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1032	0.140	6	109.2413	0.059	10	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.4270	0.038	2	109.4270	0.001	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,6|H<1>}	H(C[6]C[6]2H)	109.3268	0.026	4	109.3268	0.001	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,6|H<1>}	H(C[6]C[6]2H)	109.4285	0.078	4	109.3536	0.025	12	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,6|H<1>}	H(C[6]C[6]2H)	109.0600	0.018	2	109.3536	0.025	12	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|S<2>,6|H<1>}	H(C[6]C[6]2H)	109.3425	0.021	4	109.3536	0.025	12	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.5195	0.012	2	109.3536	0.025	12	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](C[6,6]C[6,6]S[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{2|C<4>,2|S<2>}	C[6](C[6,6]C[6,6]S[6]2)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.7915	1.109	2	110.7915	1.231	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](C[6,6]C[6,6]Si[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]Si[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3790	0.015	3	109.3790	0.000	3	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]CC)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>,3|C<4>}	H(C[6]C[6]2H)	110.0688	0.853	4	110.0688	0.727	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3530	1.383	2	109.3530	1.913	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1738	0.194	6	109.1738	0.038	6	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8663	1.708	6	109.8663	2.917	6	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3080	0.054	2	109.3080	0.003	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.0800	0.000	2	109.0800	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.3203	0.066	4	109.3203	0.004	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3785	0.032	2	109.3475	0.301	17	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.5980	1.175	4	109.3475	0.301	17	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.1503	0.248	3	109.3475	0.301	17	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.2884	0.148	8	109.3475	0.301	17	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.4195	0.005	2	109.6426	0.057	21	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3050	0.016	2	109.6426	0.057	21	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|P<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3080	0.000	1	109.6426	0.057	21	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.5970	0.041	2	109.6426	0.057	21	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7300	0.038	2	109.6426	0.057	21	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5130	0.000	1	109.6426	0.057	21	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.9146	0.065	7	109.6426	0.057	21	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5422	0.163	4	109.6426	0.057	21	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.6130	0.024	2	109.6130	0.001	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|Cu<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|Cu<3>,1|N<4>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5850	0.016	2	109.3141	0.022	36	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|Cu<4>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|Cu<4>,1|N<4>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3123	0.147	23	109.3141	0.022	36	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|Cu<4>,1|H<1>,1|N<4>,2|C<4>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|Cu<4>,1|N<4>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3810	0.023	2	109.3141	0.022	36	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|Pd<4>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|Pd<4>,1|N<4>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1085	0.023	2	109.3141	0.022	36	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|Pd<4>,1|H<1>,1|N<4>,2|C<4>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|Pd<4>,1|N<4>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2821	0.092	7	109.3141	0.022	36	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	110.1330	0.327	2	110.1330	0.107	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>}	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.8430	0.000	1	109.8430	0.000	1	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.9193	0.067	4	110.2044	0.855	15	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.8675	0.011	2	110.2044	0.855	15	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3410	0.000	1	110.2044	0.855	15	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.8775	0.067	4	110.2044	0.855	15	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	112.4445	0.230	2	110.2044	0.855	15	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,2|O<1>,4|H<1>}	H(C[6]C[6]2H)	109.9570	0.004	2	110.2044	0.855	15	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[6]2H)	109.8645	2.154	6	109.4846	3.517	10	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6]C[6]2H)	108.9147	1.449	4	109.4846	3.517	10	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|O<2>}	H(C[6]C[6]2H)	113.1095	0.520	2	111.0093	5.972	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[6]2H)	108.9090	0.018	2	111.0093	5.972	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.6848	0.022	4	108.6848	0.000	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.9518	0.130	4	109.9574	1.547	8	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,5|C<4>}	H(C[6]C[6]2H)	110.9630	0.947	4	109.9574	1.547	8	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|C<4>,2|S<2>}	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2H)	111.5820	0.216	2	109.7978	1.920	6	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|C<4>,2|S<2>}	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.9057	0.043	4	109.7978	1.920	6	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	C[6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{1|O<2>,2|C<4>}	C[6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.9130	0.033	2	109.9130	0.001	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{1|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.1420	0.068	2	109.1589	0.418	14	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.1617	0.703	12	109.1589	0.418	14	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.4995	0.030	2	109.4995	0.001	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	110.9545	5.027	2	109.9354	7.185	5	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.2560	0.073	3	109.9354	7.185	5	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0085	0.018	2	109.0085	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4031	0.148	7	109.4031	0.022	7	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CO)(H)2	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CO)(H)2{3|C<4>}	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.9065	0.011	2	108.9065	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	111.4300	0.124	2	111.4300	0.015	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6300	0.018	2	109.6300	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	110.0715	0.006	2	110.0715	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	110.7315	2.149	2	109.5545	24.171	6	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.1340	10.455	2	109.5545	24.171	6	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|O<2>,5|H<1>}	H(C[6]C[6]2H)	109.7980	0.033	2	109.5545	24.171	6	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.4015	0.015	2	109.6270	0.013	41	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.6885	0.013	2	109.6270	0.013	41	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.6460	0.016	2	109.6270	0.013	41	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,5|H<1>}	H(C[6]C[6]2H)	109.5210	0.016	2	109.6270	0.013	41	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.6577	0.107	29	109.6270	0.013	41	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5300	0.035	4	109.6270	0.013	41	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.3270	4.864	4	108.3270	23.655	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6250	0.040	2	109.6250	0.002	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|O<2>}	H(C[6]C[6]2H)	109.4620	0.011	2	109.4620	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.6905	0.705	2	109.6905	0.497	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(H)2{1|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.5505	0.023	2	109.5505	0.001	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.3409	0.734	8	109.3409	0.538	8	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HS)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HS)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4513	1.378	7	109.4513	1.900	7	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]P[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]P[6,6]HH)(H)2{1|O<2>,1|S<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,6|H<1>}	H(C[6]C[6]2H)	110.0045	1.887	4	110.0045	3.562	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[3,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](C[6,6]B[3,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|B<4>,1|B<5>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5449	0.296	7	108.5449	0.088	7	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|H<2>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.4300	0.115	11	108.5786	0.273	100	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6064	0.819	36	108.5786	0.273	100	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5726	0.278	40	108.5786	0.273	100	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|S<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7000	0.061	7	108.5786	0.273	100	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|S<3>,4|H<1>}	H(C[6]C[6]2H)	108.5557	0.010	3	108.5786	0.273	100	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6103	0.017	3	108.5786	0.273	100	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[4,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](C[6,6]B[4,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	108.5402	0.015	5	108.5402	0.000	5	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[4a,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](C[6,6]B[4a,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6326	0.057	8	108.6326	0.003	8	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.3250	0.360	34	108.4820	0.191	56	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6486	0.208	7	108.4820	0.191	56	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.4209	0.270	7	108.4820	0.191	56	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0567	0.512	8	108.4820	0.191	56	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[5a,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](C[6,6]B[5a,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6545	0.090	6	108.3649	0.047	38	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[5a,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](C[6,6]B[5a,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	108.3106	0.190	32	108.3649	0.047	38	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6,6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6,6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5496	0.145	8	108.5496	0.021	8	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<3>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.0845	0.059	4	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<3>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6270	0.217	32	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<3>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ge<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.3851	0.208	7	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<3>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8147	0.231	7	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<3>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7413	0.457	48	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<3>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.0502	0.085	4	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<3>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|S<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7500	0.134	6	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<3>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Si<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8796	0.143	7	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<3>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7520	0.408	106	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.5090	0.030	2	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	108.5320	0.071	2	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,1|H<1>,1|H<2>,2|C<4>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	108.6814	0.115	7	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6661	0.040	7	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|I<1>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8616	0.836	8	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.8122	0.279	87	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6864	0.076	19	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.3746	0.190	7	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.7022	0.056	6	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.4178	0.434	22	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.6596	0.187	14	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5590	0.200	96	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5787	0.036	4	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6495	0.121	12	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|P<4>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.5070	0.198	6	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ru<7>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6950	0.076	15	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|S<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5214	0.060	7	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8011	0.848	8	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	108.5823	0.269	48	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	108.5980	0.606	51	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,6|H<1>}	H(C[6]C[6]2H)	108.6840	0.131	7	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<5>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Al<6>,2|C<4>,2|H<2>,4|H<1>}	H(C[6]C[6]2H)	108.7905	0.440	6	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<5>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Al<7>,2|C<4>,2|H<2>,4|H<1>}	H(C[6]C[6]2H)	108.4858	0.097	6	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<5>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Eu<12>,2|C<4>,2|H<2>,4|H<1>}	H(C[6]C[6]2H)	108.6220	0.128	5	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<5>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Mn<7>,2|C<4>,2|H<2>,4|H<1>}	H(C[6]C[6]2H)	108.8055	0.017	4	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<5>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Rh<7>,1|H<2>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6283	0.392	7	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<5>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ru<9>,1|C<5>,1|H<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6725	0.035	2	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<5>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Sc<13>,2|C<4>,2|H<2>,4|H<1>}	H(C[6]C[6]2H)	108.9206	0.149	14	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<5>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Th<12>,2|C<4>,2|H<2>,4|H<1>}	H(C[6]C[6]2H)	108.5272	0.071	5	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<5>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ti<10>,1|H<2>,1|O<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7062	0.117	6	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<5>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ti<10>,2|C<4>,2|H<2>,4|H<1>}	H(C[6]C[6]2H)	108.6114	0.067	7	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<5>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ti<11>,2|C<4>,2|H<2>,4|H<1>}	H(C[6]C[6]2H)	108.8784	0.778	11	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<5>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ti<12>,2|C<4>,2|H<2>,4|H<1>}	H(C[6]C[6]2H)	108.6806	0.154	56	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<5>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ti<13>,2|C<4>,2|H<2>,4|H<1>}	H(C[6]C[6]2H)	108.7250	0.118	14	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<5>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Y<13>,2|C<4>,2|H<2>,4|H<1>}	H(C[6]C[6]2H)	108.7600	0.106	6	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<5>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Zr<14>,2|C<4>,2|H<2>,4|H<1>}	H(C[6]C[6]2H)	108.4874	0.276	42	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|Eu<12>,1|B<5>,1|H<1>,1|H<2>,2|C<4>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Eu<12>,1|C<4>,1|C<5>,2|H<2>,4|H<1>}	H(C[6]C[6]2H)	108.7290	0.120	4	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|Ra<20>,1|B<5>,1|H<1>,1|H<2>,2|C<4>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ra<20>,1|C<4>,1|C<5>,2|H<2>,4|H<1>}	H(C[6]C[6]2H)	108.5091	0.423	8	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|Ti<12>,1|B<5>,1|H<1>,1|H<2>,2|C<4>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ti<12>,1|C<4>,1|C<5>,2|H<2>,4|H<1>}	H(C[6]C[6]2H)	108.5285	0.205	12	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|Ti<13>,1|B<5>,1|H<1>,1|H<2>,2|C<4>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ti<13>,1|C<4>,1|C<5>,2|H<2>,4|H<1>}	H(C[6]C[6]2H)	108.5890	0.048	5	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|Zr<14>,1|B<5>,1|H<1>,1|H<2>,2|C<4>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Zr<14>,1|C<4>,1|C<5>,2|H<2>,4|H<1>}	H(C[6]C[6]2H)	108.7015	0.033	2	108.6620	0.122	878	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6585	0.073	2	109.6298	0.037	8	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<4>,4|C<3>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7563	0.009	3	109.6298	0.037	8	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6360	0.027	2	109.6298	0.037	8	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|O<2>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.1800	0.000	1	109.6298	0.037	8	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.9140	0.049	2	109.4462	0.079	90	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.6215	0.025	2	109.4462	0.079	90	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.9825	0.021	2	109.4462	0.079	90	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.2660	0.066	2	109.4462	0.079	90	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0700	0.020	2	109.4462	0.079	90	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3635	0.011	2	109.4462	0.079	90	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.9205	0.378	2	109.4462	0.079	90	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5615	1.006	2	109.4462	0.079	90	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.8125	0.011	2	109.4462	0.079	90	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.8360	0.031	2	109.4462	0.079	90	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.6060	0.028	2	109.4462	0.079	90	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.4173	0.087	6	109.4462	0.079	90	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.3225	0.005	2	109.4462	0.079	90	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.6073	0.057	30	109.4462	0.079	90	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9267	0.138	8	109.4462	0.079	90	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.4431	0.075	14	109.4462	0.079	90	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4528	0.049	5	109.4462	0.079	90	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3347	0.042	3	109.4462	0.079	90	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|O<2>}	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7575	0.646	2	108.7505	0.250	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|O<2>}	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7435	0.576	2	108.7505	0.250	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|O<2>,4|C<4>}	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2030	0.000	1	109.2030	0.000	1	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.5934	0.135	8	109.5347	0.020	12	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4175	0.039	4	109.5347	0.020	12	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8240	0.000	1	108.8240	0.000	1	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9219	0.083	7	108.9219	0.007	7	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[5,6,6]O[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{2|O<2>,3|C<4>}	C[6](C[6,6]C[5,6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4370	0.015	3	109.4370	0.000	3	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6]C[6]2H)	108.6563	0.015	3	108.5727	0.018	15	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.4920	0.026	3	108.5727	0.018	15	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6697	0.018	4	108.5727	0.018	15	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.4112	0.015	4	108.5727	0.018	15	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.8210	0.000	1	108.5727	0.018	15	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[5a,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[5a,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.4045	0.015	2	109.4045	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<2>,1|C<3>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3300	0.008	2	109.2059	0.036	21	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6]C[6]2H)	109.0586	0.094	5	109.2059	0.036	21	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.0760	0.006	2	109.2059	0.036	21	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6]C[6]2H)	109.1327	0.048	6	109.2059	0.036	21	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1245	0.030	2	109.2059	0.036	21	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[6]2H)	109.5070	0.013	2	109.2059	0.036	21	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5795	0.032	2	109.2059	0.036	21	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6]2H)	109.1985	0.018	2	109.1352	0.444	189	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.1410	0.030	2	109.1352	0.444	189	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1210	0.000	1	109.1352	0.444	189	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6]C[6]2H)	109.0865	0.112	6	109.1352	0.444	189	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.5940	4.264	2	109.1352	0.444	189	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.0631	0.118	7	109.1352	0.444	189	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6]C[6]2H)	108.9493	0.150	49	109.1352	0.444	189	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0425	0.008	2	109.1352	0.444	189	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1750	0.266	3	109.1352	0.444	189	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8106	0.358	5	109.1352	0.444	189	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1389	1.333	12	109.1352	0.444	189	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1950	0.047	2	109.1352	0.444	189	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1825	0.028	2	109.1352	0.444	189	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.1250	0.019	4	109.1352	0.444	189	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0580	0.017	2	109.1352	0.444	189	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5420	0.028	2	109.1352	0.444	189	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1690	0.026	4	109.1352	0.444	189	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|Br<1>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2H)	111.7060	1.681	2	109.1352	0.444	189	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4135	0.033	2	109.1352	0.444	189	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[6]C[6]2H)	109.0652	0.822	16	109.1352	0.444	189	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2240	0.030	2	109.1352	0.444	189	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1480	0.038	2	109.1352	0.444	189	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.2865	0.013	2	109.1352	0.444	189	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.2470	0.045	2	109.1352	0.444	189	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|P<4>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,6|H<1>}	H(C[6]C[6]2H)	108.9315	0.012	2	109.1352	0.444	189	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[6]C[6]2H)	109.2510	0.126	4	109.1352	0.444	189	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<1>,4|H<1>}	H(C[6]C[6]2H)	109.3105	0.039	2	109.1352	0.444	189	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6]2H)	109.2355	0.068	4	109.1352	0.444	189	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2463	0.055	4	109.1352	0.444	189	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	110.3130	1.232	4	109.1352	0.444	189	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.4199	0.483	7	109.1352	0.444	189	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0738	0.265	20	109.1352	0.444	189	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.0634	0.045	7	109.1352	0.444	189	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<2>,1|C<3>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3695	0.022	2	109.3695	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]C[6]Si)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]Si)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[6]C[6]2H)	109.2902	0.084	6	109.2902	0.007	6	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]N[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6,6]C[6,6]N[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0890	0.035	2	109.0890	0.001	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2760	0.000	1	109.2760	0.000	1	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2100	0.000	1	109.2170	0.003	3	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2205	0.071	2	109.2170	0.003	3	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]O[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]O[6,6]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6]2H)	111.0885	1.609	2	111.0885	2.588	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2570	0.031	2	109.2570	0.001	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2132	0.117	5	109.2132	0.014	5	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]P[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|P<4>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]P[6]H)(C[6]C[6]HH)(H)2{1|Se<1>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8940	0.040	2	108.8940	0.002	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2600	0.099	5	109.2600	0.010	5	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.9785	0.015	2	109.7960	0.013	25	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8870	0.000	1	109.7960	0.013	25	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7713	0.112	18	109.7960	0.013	25	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|N<4>,2|C<4>,2|H<1>}	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.7933	0.053	4	109.7960	0.013	25	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]N[3x6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{2|H<1>,3|N<3>}	C[6](C[6,6]N[3x6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.6896	0.040	5	109.6896	0.002	5	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]N[5,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6]N[5,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4475	0.019	2	109.5282	0.009	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]N[5,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6]N[5,6]N[6,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6090	0.004	2	109.5282	0.009	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]N[5,6]O[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6]N[5,6]O[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6310	0.000	1	109.6310	0.000	1	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]N[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|N<2>,2|H<1>,2|N<3>}	C[6](C[6,6]N[6,6]2H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.5160	0.146	4	109.5160	0.021	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]N[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[6,6]N[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.8720	0.504	4	109.8720	0.254	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.4330	0.037	2	109.4388	0.046	58	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6375	0.030	2	109.4388	0.046	58	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4100	0.016	2	109.4388	0.046	58	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9900	0.021	2	109.4388	0.046	58	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7078	0.471	4	109.4388	0.046	58	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[6]2H)	109.3675	0.023	2	109.4388	0.046	58	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4275	0.006	2	109.4388	0.046	58	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4330	0.024	2	109.4388	0.046	58	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.6020	0.106	11	109.4388	0.046	58	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3501	0.150	25	109.4388	0.046	58	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|N<4>,2|C<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4620	0.035	4	109.4388	0.046	58	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|F<1>,3|H<1>}	H(C[6]C[6]2H)	109.3800	0.025	2	109.1900	0.049	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]HH)(H)2{2|F<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0000	0.028	2	109.1900	0.049	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|N<2>,2|H<1>,2|N<3>}	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5135	0.093	4	109.5135	0.009	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5030	1.498	2	109.4439	0.271	17	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.6340	0.000	1	109.4439	0.271	17	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5648	0.082	14	109.4439	0.271	17	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4420	0.000	1	109.5587	0.010	13	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]2H)	109.5684	0.095	12	109.5587	0.010	13	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|P<3>,2|C<4>,2|H<1>}	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|P<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.3614	0.123	27	108.3459	0.046	209	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|P<3>,2|C<4>,2|H<1>}	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Si<4>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.3245	0.093	6	108.3459	0.046	209	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|P<4>,2|C<4>,2|H<1>}	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Co<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.1588	0.188	19	108.3459	0.046	209	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|P<4>,2|C<4>,2|H<1>}	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Cr<6>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.3047	0.236	18	108.3459	0.046	209	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|P<4>,2|C<4>,2|H<1>}	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|P<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.1630	0.222	6	108.3459	0.046	209	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|P<4>,2|C<4>,2|H<1>}	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Pd<4>,1|C<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.2713	0.188	26	108.3459	0.046	209	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|P<4>,2|C<4>,2|H<1>}	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Pd<4>,1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6623	0.076	7	108.3459	0.046	209	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|P<4>,2|C<4>,2|H<1>}	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Pd<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.3622	0.209	35	108.3459	0.046	209	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|P<4>,2|C<4>,2|H<1>}	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Pt<4>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5498	0.125	6	108.3459	0.046	209	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|P<4>,2|C<4>,2|H<1>}	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Pt<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5683	0.170	18	108.3459	0.046	209	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|P<4>,2|C<4>,2|H<1>}	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ru<8>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.4204	0.237	13	108.3459	0.046	209	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|P<4>,2|C<4>,2|H<1>}	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ru<9>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.3060	0.123	14	108.3459	0.046	209	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|P<4>,2|C<4>,2|H<1>}	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Se<1>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.3833	0.020	6	108.3459	0.046	209	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|P<4>,2|C<4>,2|H<1>}	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.1442	0.154	8	108.3459	0.046	209	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6,6a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6,6a]C[6]C)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.8680	0.000	1	108.8680	0.000	1	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9335	0.036	2	108.9335	0.001	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.0915	0.025	2	109.0915	0.001	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6,6a]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6,6a]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.8090	0.016	2	109.5630	0.051	6	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6,6a]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6,6a]C[5,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4400	0.154	4	109.5630	0.051	6	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6,6a]C[6,6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6,6a]C[6,6a]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.8612	0.225	6	108.8612	0.050	6	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.6010	0.008	2	109.6010	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.9590	0.731	4	109.9590	0.534	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.7570	0.031	2	109.7570	0.001	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]S[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2{2|C<3>,2|S<2>}	C[6](C[6,6]C[6,6a]S[6]2)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7710	0.008	2	109.7710	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1280	0.127	3	109.2171	0.440	9	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.9835	0.005	2	109.2171	0.440	9	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.9008	0.794	4	109.2171	0.440	9	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]O[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4950	0.117	4	109.4950	0.014	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5040	0.042	4	109.5040	0.002	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3425	0.022	2	109.2727	0.014	9	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2527	0.128	7	109.2727	0.014	9	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1170	0.083	2	109.1170	0.007	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(H)2{1|Cr<9>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5902	0.190	4	109.5902	0.036	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|S<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	105.8470	0.065	2	105.8422	0.127	5	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|S<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	105.8390	0.501	3	105.8422	0.127	5	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6,6]HH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,5,3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6,6]HH)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6]C[5,5,3x6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.8960	0.008	2	109.8960	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.8140	0.053	4	109.8140	0.003	4	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3795	0.022	2	109.3795	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.4505	0.015	2	109.4505	0.000	2	109.2323	0.711	7519	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6,6]HI)(H)2	C[6](C[6,6]C[4,6,6]O[6]H)(C[6]C[6]HH)(H)(I)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6,6]HI)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[4,6,6]O[6]H)(C[6]C[6]HH)(H)(I){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8580	0.037	4	108.8580	0.001	4	108.6959	0.041	10	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HI)(H)2	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)(I)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HI)(H)2{1|Se<2>,2|C<4>,2|H<1>}	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)(I){2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5878	0.195	6	108.5878	0.038	6	108.6959	0.041	10	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:Br-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]Br2)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Br)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]Br2)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Br)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8690	0.023	2	108.8690	0.001	2	108.8690	0.001	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]BrH)(H)2	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]BrH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5320	0.004	2	109.5320	0.000	2	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]BrH)(H)2	C[6](C[6]C[5,6]BrC)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]BrH)(H)2{1|Br<1>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]BrC)(C[6]C[6]HH)(Br)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8775	0.060	2	108.8775	0.004	2	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]BrH)(H)2	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]BrH)(H)2{1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1230	0.044	2	109.1230	0.002	2	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]BrH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]BrH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Br)(H){1|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.9452	0.602	6	108.9452	0.362	6	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.1355	0.056	2	109.8777	0.047	11	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6780	0.000	1	109.8777	0.047	11	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8030	0.023	4	109.8777	0.047	11	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2{5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8735	0.302	4	109.8777	0.047	11	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7175	0.011	2	109.5853	0.024	4	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Br)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4530	0.040	2	109.5853	0.024	4	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]BrH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]BrH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Br)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.9985	0.073	2	109.9985	0.005	2	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]BrH)(H)2	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]BrH)(H)2{1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(Br)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3460	0.017	2	109.3460	0.000	2	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]BrH)(H)2	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]BrH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(Br)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1167	0.119	11	109.1167	0.014	11	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6]HH)2(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(Br)(H){1|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.2810	0.033	2	109.2810	0.001	2	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2{1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9650	0.020	2	108.9650	0.000	2	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6275	0.208	4	109.6275	0.043	4	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2{1|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9767	0.058	3	108.9767	0.003	3	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(Br)(H){1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]2H)	108.9005	0.073	4	108.9005	0.005	4	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CC)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(Br)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	109.6705	0.040	2	109.6705	0.002	2	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(Br)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	109.1710	0.017	2	109.1710	0.000	2	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(Br)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.0990	0.075	4	109.0990	0.006	4	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(Br)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.6855	0.032	2	109.6855	0.001	2	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]CN)(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]CN)(H)2{1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H){1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.8985	0.054	2	108.0517	0.032	4	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]CN)(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]CN)(H)2{1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.2050	0.017	2	108.0517	0.032	4	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6]HH)2(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]CO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(Br)(H){1|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.5450	0.017	2	109.5450	0.000	2	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]FH)(H)2	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]FH)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(Br)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.9695	0.033	2	109.9695	0.001	2	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7353	0.084	14	109.7087	0.022	18	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.2260	0.000	1	109.7087	0.022	18	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7457	0.142	3	109.7087	0.022	18	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,1|N<2>,2|C<4>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9555	0.025	2	109.0366	0.028	5	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2110	0.035	2	109.0366	0.028	5	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8500	0.000	1	109.0366	0.028	5	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Br)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6748	0.402	5	109.6748	0.162	5	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(Br)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3117	0.528	4	109.3117	0.279	4	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(Br)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2564	0.334	11	109.2564	0.112	11	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(Br)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.0220	0.008	2	110.0220	0.000	2	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(Br)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9345	0.278	4	108.9345	0.077	4	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	H(C[6]C[6]2H)	109.6065	0.004	2	109.6065	0.000	2	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(Br)(H){3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2495	0.216	2	109.2495	0.047	2	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(Br)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1660	0.024	2	109.1660	0.001	2	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(Br)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2560	0.031	2	109.2560	0.001	2	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(Br)(H){2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.6990	0.313	4	109.6990	0.098	4	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	C[6](C[6]N[5]O[6]H)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]N[5]O[6]H)(C[6]C[6]HH)(Br)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6780	0.038	2	109.6780	0.001	2	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)2(Br)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	110.3280	0.014	2	110.3280	0.000	2	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]O[6]CH)(H)2{1|Br<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(Br)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.9365	1.179	2	109.9365	1.389	2	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]BrH)(H)2	C[6](C[6]S[6]ClC)(C[6]C[6]HH)(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]BrH)(H)2{1|Cl<1>,1|H<1>,1|S<2>,4|C<3>}	C[6](C[6]S[6]ClC)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	108.4915	0.005	2	108.4915	0.000	2	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]BrH)(H)2	C[6](C[6]C[6]HH)2(Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]BrH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(Br)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.7400	0.062	2	109.7400	0.004	2	109.3821	0.238	146	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:F-1:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]ClF)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(Cl)(F)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClC)(C[6]C[6]ClF)(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(Cl)(F){1|Cl<1>,3|C<4>}	H(C[6]C[6]2H)	108.9170	0.016	2	108.9170	0.000	2	108.9170	0.000	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]Cl2)(C[6]C[6]ClH)(H)2	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]Cl2)(C[6]C[6]ClH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(Cl)(H){2|Cl<1>,1|C<3>,1|C<4>}	H(C[6]C[6]2H)	109.2070	0.048	2	109.2070	0.002	2	109.4670	0.444	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(Cl)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2470	0.000	1	109.2470	0.000	1	109.4670	0.444	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(Cl)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6175	0.018	2	109.6093	0.000	4	109.4670	0.444	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(Cl)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6010	0.030	2	109.6093	0.000	4	109.4670	0.444	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(Cl)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.7970	0.013	2	109.7970	0.000	2	109.4670	0.444	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]ClH)(H)2	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]ClH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(Cl)(H){1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.0695	0.018	2	109.0695	0.000	2	109.4670	0.444	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]ClH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]ClH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(Cl)(H){1|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.1596	0.097	5	109.1596	0.009	5	109.4670	0.444	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]ClH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]ClH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H){1|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.3863	1.851	6	108.3863	3.426	6	109.4670	0.444	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Cl)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6147	0.061	3	109.6147	0.004	3	109.4670	0.444	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(Cl)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6782	0.120	6	109.6782	0.014	6	109.4670	0.444	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8825	0.138	13	109.7145	0.102	23	109.4670	0.444	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4235	0.466	6	109.7145	0.102	23	109.4670	0.444	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6047	0.053	4	109.7145	0.102	23	109.4670	0.444	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(H)2	C[6](C[6]C[6,6a]ClH)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(H)2{1|Cl<1>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]ClH)(C[6]C[6]HH)(Cl)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2170	0.025	2	109.2170	0.001	2	109.4670	0.444	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(H)2	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(Cl)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1562	0.279	4	109.1562	0.078	4	109.4670	0.444	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(H)2	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH)(Cl)(H){1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	107.5935	0.616	2	107.5935	0.379	2	109.4670	0.444	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.5880	0.006	2	109.5880	0.000	2	109.4670	0.444	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]2H)	109.5560	0.018	2	109.5560	0.000	2	109.4670	0.444	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Cl)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.9002	0.149	6	109.9002	0.022	6	109.4670	0.444	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(Cl)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3615	0.200	4	109.3615	0.040	4	109.4670	0.444	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(Cl)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3120	0.031	2	109.3120	0.001	2	109.4670	0.444	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(Cl)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4955	0.706	2	109.4955	0.499	2	109.4670	0.444	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HN)(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HN)(Cl)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4565	0.032	2	109.4565	0.001	2	109.4670	0.444	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(Cl)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0870	1.000	4	109.0870	0.999	4	109.4670	0.444	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(Cl)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2255	0.009	2	109.2255	0.000	2	109.4670	0.444	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(Cl)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.7915	0.028	2	109.7915	0.001	2	109.4670	0.444	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(Cl)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.0830	2.831	2	109.6883	0.422	23	109.4670	0.444	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)2(Cl)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.8515	0.012	2	109.6883	0.422	23	109.4670	0.444	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(Cl)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.7335	0.042	2	109.6883	0.422	23	109.4670	0.444	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(Cl)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.7889	0.073	15	109.6883	0.422	23	109.4670	0.444	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(Cl)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3310	0.044	2	109.6883	0.422	23	109.4670	0.444	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)2(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(Cl)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	110.0470	0.000	1	110.0470	0.000	1	109.4670	0.444	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)2(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)2(H)2{1|Cl<1>,1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Cl)(H){1|Cl<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6200	0.156	2	109.6200	0.024	2	109.4670	0.444	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)2(H)2	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)2(H)2{1|Cl<1>,1|C<3>,3|C<4>}	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(Cl)(H){1|Cl<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6445	0.151	2	109.6445	0.023	2	109.4670	0.444	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]ClH)(H)2	C[6](C[6]C[6]HH)2(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]ClH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(Cl)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.2495	0.012	2	109.1908	0.048	6	109.4670	0.444	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]ClH)(H)2	C[6](C[6]C[6]HH)2(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]ClH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(Cl)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3985	0.053	2	109.1908	0.048	6	109.4670	0.444	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]ClH)(H)2	C[6](C[6]C[6]HH)2(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]ClH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(Cl)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.9245	0.025	2	109.1908	0.048	6	109.4670	0.444	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]ClH)(H)2	C[6](C[6]C[6]HH)2(Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]ClH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(Cl)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.8550	0.013	2	109.8550	0.000	2	109.4670	0.444	126	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]C[6]FF)(H)2	C[6](C[6]N[5a,6]FF)(C[6]C[6]HH)(F)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]FF)(H)2{1|N<2>,1|N<3>,2|F<1>}	C[6](C[6]N[5a,6]FF)(C[6]C[6]HH)(F)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.6450	0.035	2	109.6450	0.001	2	109.6429	0.978	42	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]FF)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]FF)(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4645	0.006	2	109.4645	0.000	2	109.6429	0.978	42	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)2	H(C[6]C[6]2H)	C[6](C[6]C[6]FF)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.0258	1.833	12	110.0258	3.359	12	109.6429	0.978	42	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(F)2	H(C[6]C[6]2H)	C[6](C[6]C[6]FF)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,3|H<1>}	C[6](C[6]C[6]HH)2(F)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5593	0.030	3	109.4776	0.009	13	109.6429	0.978	42	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(F)2	H(C[6]C[6]2H)	C[6](C[6]C[6]FF)(C[6]C[6]HH)(H)2{1|F<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(F)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5083	0.097	4	109.4776	0.009	13	109.6429	0.978	42	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(F)2	H(C[6]C[6]2H)	C[6](C[6]C[6]FF)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(F)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4163	0.081	6	109.4776	0.009	13	109.6429	0.978	42	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]FF)(C[6]C[6]HH)(F)2	H(C[6]C[6]2H)	C[6](C[6]C[6]FF)(C[6]N[6]HH)(H)2{2|C<4>,2|F<1>}	C[6](C[6]C[6]FF)(C[6]C[6]HH)(F)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.7460	0.000	1	109.7460	0.000	1	109.6429	0.978	42	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(F)2	H(C[6]C[6]2H)	C[6](C[6]C[6]FF)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(F)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.4598	0.205	12	109.4598	0.042	12	109.6429	0.978	42	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]FH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(F)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]FH)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(F)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3290	0.000	1	109.3290	0.000	1	109.2302	0.846	122	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]FH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(F)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]FH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(F)(H){5|C<4>}	H(C[6]C[6]2H)	108.8380	0.031	2	108.8380	0.001	2	109.2302	0.846	122	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]FH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(F)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]FH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(F)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3960	0.013	2	109.3960	0.000	2	109.2302	0.846	122	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6]C[6]FH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(F)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HN)(C[6]C[6]FH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(F)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4325	0.013	2	109.4325	0.000	2	109.2302	0.846	122	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]FH)(H)2	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(F)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]FH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(F)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7528	0.154	5	109.7528	0.024	5	109.2302	0.846	122	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]FH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CC)(F)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]FH)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(F)(H){1|Br<1>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	109.9675	0.033	2	109.9675	0.001	2	109.2302	0.846	122	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(F)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(F)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	107.6690	0.955	4	108.2843	1.456	6	109.2302	0.846	122	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(F)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(F)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5150	0.016	2	108.2843	1.456	6	109.2302	0.846	122	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.1666	1.198	18	108.1031	1.583	20	109.2302	0.846	122	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	107.5325	2.225	2	108.1031	1.583	20	109.2302	0.846	122	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(F)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(F)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2690	0.000	1	109.2523	0.000	3	109.2302	0.846	122	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(F)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(F)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2440	0.008	2	109.2523	0.000	3	109.2302	0.846	122	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6630	0.000	1	109.3440	0.077	3	109.2302	0.846	122	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1845	0.033	2	109.3440	0.077	3	109.2302	0.846	122	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(F)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(F)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5539	0.224	7	109.5539	0.050	7	109.2302	0.846	122	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(F)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(F)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.6050	0.123	3	109.6050	0.015	3	109.2302	0.846	122	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(H)2{1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.6814	0.228	5	109.6814	0.052	5	109.2302	0.846	122	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(H)2{1|C<4>,1|F<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.6645	0.021	2	109.6645	0.000	2	109.2302	0.846	122	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(F)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)2(F)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.9075	0.006	2	109.4660	0.260	4	109.2302	0.846	122	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(F)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(F)(H){1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.0245	0.019	2	109.4660	0.260	4	109.2302	0.846	122	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)2(H)2	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)2(H)2{1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|C<1>,1|F<1>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	110.2097	0.042	3	109.6254	0.412	45	109.2302	0.846	122	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)2(H)2	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)2(H)2{1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	110.2322	0.013	4	109.6254	0.412	45	109.2302	0.846	122	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)2(H)2	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)2(H)2{1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	H(C[6]C[6]2H)	110.0550	0.196	8	109.6254	0.412	45	109.2302	0.846	122	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)2(H)2	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)2(H)2{1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|F<1>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3715	0.641	30	109.6254	0.412	45	109.2302	0.846	122	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]FH)(H)2	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]FH)(H)2{1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3833	0.028	4	109.3833	0.001	4	109.2302	0.846	122	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]FH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]FH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.5927	0.062	4	108.5927	0.004	4	109.2302	0.846	122	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]FH)(H)2	C[6](C[6]C[6]HH)2(F)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]FH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(F)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4105	0.030	2	109.4105	0.001	2	109.2302	0.846	122	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[3x3,3x5,12x6]BH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,3,4,3x5,14x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]B[3x3,3x5,12x6]BH)(C[6]C[6]HH)(H)2{1|B<5>,1|C<5>,2|B<6>,2|H<1>}	C[6](C[6]C[3,3,4,3x5,14x6]HH)(C[6]C[6]HH)(H)2{1|B<6>,1|H<1>,2|B<4>,2|B<5>}	H(C[6]C[6]2H)	108.8020	0.017	2	108.8020	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[3x3,3x5,9x6]BH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,3,3x5,11x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]B[3x3,3x5,9x6]BH)(C[6]C[6]HH)(H)2{1|B<5>,1|C<5>,2|B<6>,2|H<1>}	C[6](C[6]C[3,3,3x5,11x6]HH)(C[6]C[6]HH)(H)2{1|B<3>,1|B<4>,1|B<6>,1|H<1>,2|B<5>}	H(C[6]C[6]2H)	108.3930	0.037	2	108.3930	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[4]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]B[4]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|B<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0742	0.102	6	109.0742	0.010	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[4x3,3x5,13x6]BH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x3,3x5,13x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]B[4x3,3x5,13x6]BH)(C[6]C[6]HH)(H)2{1|C<5>,1|H<2>,2|H<1>,3|B<6>}	C[6](C[6]C[3x3,3x5,13x6]HH)(C[6]C[6]HH)(H)2{1|B<3>,1|H<1>,4|B<6>}	H(C[6]C[6]2H)	109.1280	0.007	2	109.1280	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[4x3,5,4x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]B[4x3,5,4x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<2>,3|B<6>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|B<6>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3775	0.058	4	109.3775	0.003	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[5,5]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]B[5,5]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)2(H)2{1|B<4>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.6360	0.010	2	109.6360	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]B[5,6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6790	0.256	2	109.6790	0.066	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|B<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4450	0.098	3	109.2811	0.387	34	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,3|O<2>}	C[6](C[6]C[6]HH)2(H)2{1|B<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.0120	0.024	2	109.2811	0.387	34	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|B<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.5743	1.072	10	109.2811	0.387	34	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|B<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0604	0.135	5	109.2811	0.387	34	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|B<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0348	0.211	8	109.2811	0.387	34	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|B<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1923	0.223	3	109.2811	0.387	34	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|B<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4327	0.066	3	109.2811	0.387	34	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|B<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9862	0.149	5	109.1245	0.038	36	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|B<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4093	0.155	4	109.1245	0.038	36	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|B<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0076	0.178	12	109.1245	0.038	36	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|B<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1882	0.114	15	109.1245	0.038	36	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[5x3,5x5,21x6]HN)(C[6]C[6]HH)(H)2	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]B[5x3,5x5,21x6]HN)(C[6]C[6]HH)(H)2{1|C<6>,2|H<1>,4|B<6>}	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<4>,5|B<6>}	H(C[6]C[6]2H)	109.5222	0.041	4	109.5222	0.002	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[5x3,5x5,21x6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]B[5x3,5x5,21x6]HO)(C[6]C[6]HH)(H)2{1|C<6>,2|H<1>,4|B<6>}	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,5|B<6>}	H(C[6]C[6]2H)	109.5510	0.000	1	109.5510	0.000	1	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[5x3,5x5,21x6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]B[5x3,5x5,21x6]N[6]H)(C[6]C[6]HH)(H)2{1|C<6>,2|C<3>,2|H<1>,4|B<6>}	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,5|B<6>}	H(C[6]C[6]2H)	109.7790	0.088	2	109.7790	0.008	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]B[6,6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.0555	0.456	2	110.0555	0.208	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]B[6,6]HH)(C[6]C[6]HH)(H)2{1|Cr<9>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Cr<9>,1|B<4>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3815	0.088	4	109.3815	0.008	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2H)	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|B<4>,4|H<1>}	H(C[6]C[6]2H)	109.1510	0.023	2	109.1510	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0455	0.226	2	109.1284	0.933	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9775	0.546	4	109.1284	0.933	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6535	0.684	2	109.1284	0.933	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<4>,4|H<1>}	H(C[6]C[6]2H)	108.4380	0.000	1	109.1284	0.933	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.3330	1.997	2	109.1284	0.933	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2{1|B<4>,2|H<1>}	H(C[6]C[6]2H)	109.8070	0.000	1	109.8070	0.000	1	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2{1|Zr<14>,1|C<4>,2|H<1>,2|H<2>}	C[6](C[6]C[6]HH)2(H)2{1|B<5>,4|H<1>}	H(C[6]C[6]2H)	109.1495	0.081	10	109.1495	0.007	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,3,3x5,11x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]B[3x3,3x5,9x6]BH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,3,3x5,11x6]HH)(C[6]C[6]HH)(H)2{1|B<3>,1|B<4>,1|B<6>,1|H<1>,2|B<5>}	C[6](C[6]B[3x3,3x5,9x6]BH)(C[6]C[6]HH)(H)2{1|B<5>,1|C<5>,2|B<6>,2|H<1>}	H(C[6]C[6]2H)	109.6625	0.028	2	109.6625	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,3,4,3x5,14x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]B[3x3,3x5,12x6]BH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,3,4,3x5,14x6]HH)(C[6]C[6]HH)(H)2{1|B<6>,1|H<1>,2|B<4>,2|B<5>}	C[6](C[6]B[3x3,3x5,12x6]BH)(C[6]C[6]HH)(H)2{1|B<5>,1|C<5>,2|B<6>,2|H<1>}	H(C[6]C[6]2H)	109.5200	0.068	2	109.5200	0.005	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,3,4,5,10x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x3,5,5,12x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,3,4,5,10x6]HH)(C[6]C[6]HH)(H)2{1|B<4>,1|C<5>,2|B<6>,2|H<1>}	C[6](C[6]C[3x3,5,5,12x6]HH)(C[6]C[6]HH)(H)2{1|B<5>,1|C<5>,2|B<6>,2|H<1>}	H(C[6]C[6]2H)	109.1235	0.009	2	109.1235	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,5,5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,5,5,6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[3x5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6260	0.609	4	109.6260	0.371	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.7645	0.616	16	108.7645	0.380	16	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6,6]CC)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.0255	0.025	2	109.0255	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3332	0.296	4	108.8429	0.816	16	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6795	0.986	12	108.8429	0.816	16	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2275	0.073	2	109.2275	0.005	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.5350	0.035	2	109.5350	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.3175	0.012	2	108.3175	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.8085	0.023	2	108.8085	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[3,5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.2726	0.425	15	109.2726	0.180	15	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	110.1570	0.180	2	110.1570	0.032	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.1685	0.033	2	109.1685	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.1145	0.005	2	109.1145	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]C[6]O)(C[6]C[6]HH)(H)2{1|I<1>,2|C<3>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.4438	0.060	4	109.3847	0.011	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]C[6]O)(C[6]C[6]HH)(H)2{3|C<4>,4|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.2665	0.066	2	109.3847	0.011	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[3,6,6]CC)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2085	0.018	2	109.2085	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5545	0.028	2	109.5545	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3800	0.006	2	109.3800	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.2385	1.115	2	108.2385	1.243	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>}	C[6](C[6]C[3,6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5970	0.011	2	109.5970	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	107.0620	0.032	3	108.9201	0.846	18	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	108.7620	0.275	4	108.9201	0.846	18	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2620	0.010	2	108.9201	0.846	18	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5000	0.010	2	108.9201	0.846	18	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5340	0.147	4	108.9201	0.846	18	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5870	0.023	2	108.9201	0.846	18	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4940	0.000	1	108.9201	0.846	18	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4347	0.074	4	109.4347	0.005	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2{1|C<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7615	0.049	2	108.7615	0.002	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	113.7670	0.511	2	109.4604	1.486	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,1|P<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8604	0.655	8	109.4604	1.486	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|Nb<5>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3893	0.108	3	109.4604	1.486	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.6010	0.000	1	109.4604	1.486	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2403	0.171	17	109.4604	1.486	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8417	0.095	3	109.8417	0.009	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.1167	0.900	4	109.1167	0.811	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2{1|C<2>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5940	0.033	2	109.5940	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	107.4135	2.829	4	107.4135	8.005	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0840	3.118	2	109.0840	9.724	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.0495	0.018	2	109.0495	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.8130	0.016	2	108.8788	0.019	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9227	0.172	3	108.8788	0.019	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1893	0.051	4	109.1893	0.003	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.5305	0.005	2	109.5305	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x3,3x5,13x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]B[4x3,3x5,13x6]BH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x3,3x5,13x6]HH)(C[6]C[6]HH)(H)2{1|B<3>,1|H<1>,4|B<6>}	C[6](C[6]B[4x3,3x5,13x6]BH)(C[6]C[6]HH)(H)2{1|C<5>,1|H<2>,2|H<1>,3|B<6>}	H(C[6]C[6]2H)	109.1495	0.033	2	109.1495	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x3,4,3x5,14x6]C[4]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x3,4,3x5,14x6]C[4]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|B<6>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|C<5>,2|H<1>}	H(C[6]C[6]2H)	108.0785	0.016	2	108.2698	0.028	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x3,4,3x5,14x6]C[4]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x3,4,3x5,14x6]C[4]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|B<6>,5|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<5>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.3655	0.101	4	108.2698	0.028	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x3,4,3x5,14x6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x3,4,3x5,14x6]C[5]C[6])(C[6]C[6]HH)(H)2{1|Fe<10>,3|C<4>,4|B<6>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<5>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.3671	0.380	8	108.3671	0.144	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x3,5,5,12x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,3,4,5,10x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x3,5,5,12x6]HH)(C[6]C[6]HH)(H)2{1|B<5>,1|C<5>,2|B<6>,2|H<1>}	C[6](C[6]C[3,3,4,5,10x6]HH)(C[6]C[6]HH)(H)2{1|B<4>,1|C<5>,2|B<6>,2|H<1>}	H(C[6]C[6]2H)	109.2895	0.025	2	109.2895	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x3,5,5,12x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x3,5,9x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x3,5,5,12x6]HH)(C[6]C[6]HH)(H)2{1|B<5>,1|C<5>,2|B<6>,2|H<1>}	C[6](C[6]C[3x3,5,9x6]HH)(C[6]C[6]HH)(H)2{1|B<5>,1|B<6>,1|B<7>,1|C<5>,2|H<1>}	H(C[6]C[6]2H)	108.5985	0.006	2	108.5985	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x3,5,9x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x3,5,5,12x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x3,5,9x6]HH)(C[6]C[6]HH)(H)2{1|B<5>,1|B<6>,1|B<7>,1|C<5>,2|H<1>}	C[6](C[6]C[3x3,5,5,12x6]HH)(C[6]C[6]HH)(H)2{1|B<5>,1|C<5>,2|B<6>,2|H<1>}	H(C[6]C[6]2H)	109.5190	0.023	2	109.5190	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x4]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x4]C[5,6]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.4115	0.671	2	108.4115	0.450	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x5,3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x5,3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x5,3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3x5,3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1877	0.011	3	109.1877	0.000	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,5,5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3,5,5,6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9445	0.444	4	108.9445	0.197	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.6350	0.048	2	108.8238	0.027	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	108.9183	0.096	4	108.8238	0.027	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[4x6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[4x6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6]2H)	108.9100	0.016	2	109.0129	0.043	27	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[4x6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[4x6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6]2H)	109.0211	0.215	25	109.0129	0.043	27	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5x6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6]2H)	108.8700	0.000	1	108.8700	0.000	1	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.1475	0.558	4	109.1475	0.312	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[3x6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.2060	0.000	1	109.2060	0.000	1	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4315	0.021	2	109.4315	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2449	0.156	8	109.2194	0.022	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.1175	0.011	2	109.2194	0.022	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5418	0.098	6	109.3455	0.207	40	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1835	0.018	2	109.3455	0.207	40	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3157	0.130	4	109.3455	0.207	40	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4995	0.026	6	109.3455	0.207	40	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.6120	0.000	1	109.3455	0.207	40	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1624	0.875	10	109.3455	0.207	40	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2302	0.189	4	109.3455	0.207	40	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4892	0.028	4	109.3455	0.207	40	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2757	0.036	3	109.3455	0.207	40	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4x6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[4x6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4360	0.024	2	109.4500	0.001	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4x6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[4x6]CC)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4780	0.000	1	109.4500	0.001	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4x6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[4x6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.6100	0.016	2	109.6100	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5270	0.007	2	109.4185	0.020	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1845	0.006	2	109.4185	0.020	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.4437	0.113	4	109.4185	0.020	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4560	0.108	4	109.4185	0.020	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4290	0.488	4	109.3364	0.066	14	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3053	0.130	4	109.3364	0.066	14	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3010	0.016	2	109.3364	0.066	14	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1980	0.038	2	109.3364	0.066	14	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.3870	0.052	2	109.3364	0.066	14	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5755	0.688	4	109.6143	1.959	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6337	1.695	8	109.6143	1.959	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5470	0.013	2	109.5037	0.003	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	109.4605	0.011	2	109.5037	0.003	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.0220	0.000	1	109.0220	0.000	1	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,3x5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,5,5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,3x5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[4,5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8545	2.805	2	111.4127	6.093	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,3x5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,5,5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,3x5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[4,5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	112.9710	0.836	2	111.4127	6.093	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,3x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.9420	0.000	1	107.9420	0.000	1	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,4,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,4,5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2025	0.016	2	109.2025	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,5,3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,5,3x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4820	0.119	4	109.4820	0.014	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,5,5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,3x5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[4,3x5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	106.2140	0.701	2	108.6020	7.926	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,5,5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,3x5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[4,3x5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	110.9900	0.690	2	108.6020	7.926	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,5,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5715	1.436	2	109.5715	2.062	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[4,5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6790	0.013	2	108.6790	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,4,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[4,4,5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.5895	0.021	2	109.5895	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[4,5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8465	0.650	2	108.8465	0.422	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[4,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2705	0.033	2	109.2705	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7973	0.104	3	109.7973	0.011	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[4,3x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.0130	0.028	2	108.0130	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,5,3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[4,5,3x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.6566	0.047	5	109.6566	0.002	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4533	0.101	6	109.4533	0.010	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3480	0.035	2	109.3480	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.9790	1.281	2	110.9790	1.642	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6]2H)	109.0270	0.034	2	109.0270	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.9465	0.021	2	108.9465	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.8055	0.076	2	108.8055	0.006	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.6107	0.046	4	109.6107	0.002	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.9600	0.748	2	109.9600	0.560	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6]C[4,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7265	0.009	2	109.7265	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[4,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5990	0.000	1	109.5990	0.000	1	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,1|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	108.6730	0.041	2	109.6071	6.680	42	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	111.4845	2.372	2	109.6071	6.680	42	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8333	0.060	3	109.6071	6.680	42	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8125	0.066	2	109.6071	6.680	42	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	110.2990	1.720	2	109.6071	6.680	42	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.3199	2.131	7	109.6071	6.680	42	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	105.1885	6.847	2	109.6071	6.680	42	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.4835	3.692	8	109.6071	6.680	42	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8263	1.201	12	109.6071	6.680	42	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.0310	2.107	2	109.6071	6.680	42	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2039	2.042	8	109.2039	4.171	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4480	1.143	4	109.3257	0.305	16	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3855	0.133	4	109.3257	0.305	16	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0030	0.080	4	109.3257	0.305	16	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4663	0.041	4	109.3257	0.305	16	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[4,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]N[4,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3990	0.010	2	109.3990	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3393	0.072	6	109.3820	0.010	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	109.5100	0.016	2	109.3820	0.010	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.7845	1.537	8	110.7845	2.362	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.8620	0.031	2	108.8620	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2{1|B<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3107	0.081	18	109.3840	0.279	48	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.0509	1.206	7	109.3840	0.279	48	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2095	0.075	4	109.3840	0.279	48	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2938	0.175	4	109.3840	0.279	48	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2{1|P<4>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2312	0.174	15	109.3840	0.279	48	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4]C[6]O)(C[6]C[6]HH)(H)2{1|S<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1969	0.167	7	109.1969	0.028	7	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4x6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.1250	0.016	2	109.1093	0.001	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4x6]CC)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.0780	0.000	1	109.1093	0.001	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4x6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.3200	0.008	2	109.3200	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4873	0.118	3	109.2616	0.105	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9230	0.099	2	109.2616	0.105	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5160	0.196	4	109.5887	0.030	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5200	0.033	2	109.5887	0.030	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8450	0.018	2	109.5887	0.030	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5607	0.095	3	109.5887	0.030	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	110.6805	0.214	2	110.6805	0.046	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.1990	0.795	2	108.1990	0.632	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[3x6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3580	0.014	4	109.3580	0.000	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4550	0.025	2	109.2200	0.057	26	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2004	0.238	24	109.2200	0.057	26	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	112.4155	0.672	2	112.4155	0.452	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1625	0.029	2	109.1395	0.001	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1165	0.026	2	109.1395	0.001	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,4x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,4x6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8539	0.078	7	108.8539	0.006	7	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.4285	0.220	2	108.7828	1.113	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5055	0.013	2	108.7828	1.113	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4145	0.070	2	108.7828	1.113	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,4x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,4x6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.8894	0.093	7	108.8894	0.009	7	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.9560	0.041	2	108.9560	0.002	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6957	0.056	3	108.6957	0.003	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	108.8807	0.073	3	108.8807	0.005	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.0715	0.021	2	109.4562	0.092	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.7085	0.030	2	109.4562	0.092	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5885	0.023	2	109.4562	0.092	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6765	0.021	2	109.6765	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4433	0.167	4	110.2640	2.572	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	112.5190	1.222	2	110.2640	2.572	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6505	1.677	2	110.2640	2.572	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9075	0.021	2	108.9075	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.2605	0.028	2	109.2605	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.1550	0.013	3	109.1550	0.000	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	108.8330	0.000	1	109.3664	0.113	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3450	0.028	2	109.3664	0.113	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6545	0.015	2	109.3664	0.113	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3840	0.034	2	109.3840	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.3145	0.383	4	109.1229	0.216	137	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.4140	0.563	4	109.1229	0.216	137	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.2630	1.568	2	109.1229	0.216	137	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.1180	1.020	2	109.1229	0.216	137	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.0768	0.441	106	109.1229	0.216	137	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1055	0.053	4	109.1229	0.216	137	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.8590	0.016	2	109.1229	0.216	137	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9523	0.230	3	109.1229	0.216	137	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0485	0.015	2	109.1229	0.216	137	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3664	0.248	8	109.1229	0.216	137	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	108.8345	0.069	2	109.0016	0.018	7	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.1525	0.026	2	109.0016	0.018	7	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	109.0123	0.026	3	109.0016	0.018	7	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7885	0.032	2	109.7885	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.9302	0.535	6	109.9302	0.287	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.9360	0.033	2	109.9360	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3635	0.064	2	109.3635	0.004	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6]2H)	108.8610	0.040	2	108.8610	0.002	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6]2H)	108.6724	0.462	10	108.7231	0.189	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.9765	0.011	2	108.7231	0.189	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.4080	0.051	2	109.4080	0.003	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	108.9550	0.000	1	108.9550	0.000	1	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	108.8470	0.031	2	108.8470	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.9890	0.135	6	108.9890	0.018	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CO)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.8860	0.045	2	108.8860	0.002	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.6955	0.013	2	109.5502	0.048	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3895	0.383	2	109.5502	0.048	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5655	0.023	2	109.5502	0.048	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[5,5,6,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7275	0.077	2	109.7275	0.006	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6587	0.059	4	109.2521	0.803	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	108.9805	1.736	2	109.2521	0.803	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7105	1.095	2	109.2521	0.803	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2630	0.000	1	109.2265	0.280	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2228	0.558	10	109.2265	0.280	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7440	0.007	2	109.6623	2.375	50	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.4017	3.631	7	109.6623	2.375	50	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.4705	1.511	2	109.6623	2.375	50	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4705	0.023	2	109.6623	2.375	50	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2870	0.016	2	109.6623	2.375	50	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	111.3450	2.790	2	109.6623	2.375	50	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.7500	2.613	2	109.6623	2.375	50	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.0230	1.738	2	109.6623	2.375	50	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.9095	0.052	2	109.6623	2.375	50	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8285	0.011	2	109.6623	2.375	50	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5597	0.078	7	109.6623	2.375	50	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4090	0.027	2	109.6623	2.375	50	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1820	0.081	16	109.6623	2.375	50	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7680	0.041	2	108.7680	0.002	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.7420	0.013	2	109.6539	1.205	32	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8625	0.341	4	109.6539	1.205	32	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5403	0.094	12	109.6539	1.205	32	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	107.9375	0.357	2	109.6539	1.205	32	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.9925	2.481	2	109.6539	1.205	32	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5000	0.006	2	109.6539	1.205	32	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6950	0.000	1	109.6539	1.205	32	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.4140	0.000	1	109.6539	1.205	32	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2655	0.029	2	109.6539	1.205	32	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.2520	2.515	4	109.6539	1.205	32	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1375	0.141	4	109.1375	0.020	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]SiH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5,6]SiH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.0182	0.057	4	110.0182	0.003	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5570	0.031	2	109.5570	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6746	0.180	8	109.5673	0.084	15	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5433	0.078	3	109.5673	0.084	15	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3705	0.477	4	109.5673	0.084	15	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4045	0.021	2	109.4045	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4285	0.036	2	109.4285	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3800	0.006	2	109.6673	0.444	22	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5120	0.016	2	109.6673	0.444	22	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4460	0.075	2	109.6673	0.444	22	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4740	0.020	2	109.6673	0.444	22	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5085	0.022	2	109.6673	0.444	22	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.1557	1.203	6	109.6673	0.444	22	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4430	0.042	2	109.6673	0.444	22	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4410	0.011	2	109.6673	0.444	22	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6690	0.018	2	109.6673	0.444	22	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5650	0.007	2	109.5040	0.011	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3820	0.000	1	109.5040	0.011	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3150	0.025	2	109.3150	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8134	0.047	10	109.8134	0.002	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4105	0.124	4	109.4105	0.015	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.9528	0.098	10	109.9528	0.010	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6915	0.006	2	109.1088	1.704	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	108.5260	1.937	2	109.1088	1.704	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,5,6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.0403	0.056	3	109.0403	0.003	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	108.8430	0.024	2	108.8430	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.0390	0.128	4	109.0390	0.016	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.3335	0.025	2	109.3335	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1390	0.011	2	109.1390	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2655	0.176	4	109.2655	0.031	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.7417	0.399	3	109.7417	0.159	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6190	0.098	2	109.8371	3.023	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.3725	0.028	2	109.8371	3.023	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	112.8310	2.783	2	109.8371	3.023	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.0667	0.307	6	109.8371	3.023	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.9615	0.030	2	108.9615	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|C<4>}	H(C[6]C[6]2H)	108.0455	0.839	4	108.0951	0.519	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	108.1448	0.707	4	108.0951	0.519	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6]2H)	108.7870	0.010	2	108.7870	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	109.7580	1.673	6	108.8115	0.667	48	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.7413	0.874	10	108.8115	0.667	48	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	108.9378	0.145	5	108.8115	0.667	48	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.7620	0.044	2	108.8115	0.667	48	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	108.4493	0.150	15	108.8115	0.667	48	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<2>,2|O<2>}	H(C[6]C[6]2H)	109.6615	0.046	2	108.8115	0.667	48	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.9050	0.017	2	108.8115	0.667	48	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6]2H)	108.4840	0.314	6	108.8115	0.667	48	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.6710	0.054	2	108.3768	0.040	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	108.3290	0.030	2	108.3768	0.040	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6]2H)	108.2947	0.165	6	108.3768	0.040	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.6425	0.030	2	108.4702	0.533	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.2980	1.216	2	108.4702	0.533	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.5832	0.015	6	108.8394	0.067	14	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.2635	0.029	2	108.8394	0.067	14	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>}	H(C[6]C[6]2H)	108.9542	0.082	6	108.8394	0.067	14	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.0409	0.056	8	108.7994	0.329	24	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	108.7736	0.082	8	108.7994	0.329	24	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.6298	1.271	4	108.7994	0.329	24	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5378	0.774	4	108.7994	0.329	24	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4855	0.050	2	109.4232	0.006	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3610	0.013	2	109.4232	0.006	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	110.0180	0.021	2	109.7075	0.129	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.3970	0.007	2	109.7075	0.129	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2140	0.033	2	109.4238	0.121	40	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	110.0403	0.028	4	109.4238	0.121	40	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.4920	0.000	1	109.4238	0.121	40	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2865	0.207	6	109.4238	0.121	40	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4450	0.126	3	109.4238	0.121	40	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Se<2>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	109.2523	0.023	4	109.4238	0.121	40	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.1705	0.026	2	109.4238	0.121	40	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.5280	0.023	2	109.4238	0.121	40	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4800	0.037	2	109.4238	0.121	40	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.7105	0.318	4	109.4238	0.121	40	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.5332	0.203	6	109.4238	0.121	40	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6125	0.029	2	109.4238	0.121	40	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0920	0.011	2	109.4238	0.121	40	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.5838	0.086	4	109.5623	0.006	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5195	0.035	2	109.5623	0.006	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.0665	0.027	4	109.3393	0.580	40	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5392	1.153	14	109.3393	0.580	40	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3487	0.022	3	109.3393	0.580	40	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2343	0.086	3	109.3393	0.580	40	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|N<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6668	0.850	4	109.3393	0.580	40	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2478	0.048	6	109.3393	0.580	40	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9757	0.445	6	109.3393	0.580	40	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.3110	0.011	2	109.3110	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	105.9800	1.344	2	108.9927	0.816	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9507	0.310	8	108.9927	0.816	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6740	0.721	2	108.9927	0.816	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1947	0.099	4	108.9927	0.816	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7590	0.030	2	108.9927	0.816	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2660	0.040	2	108.9927	0.816	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2202	0.270	5	108.9927	0.816	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1325	0.039	2	108.9927	0.816	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1663	0.226	4	108.9927	0.816	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.2840	0.014	2	109.2840	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1750	0.000	1	109.1750	0.000	1	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.1435	0.016	2	109.8761	3.557	9	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	112.5805	3.046	2	109.8761	3.557	9	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.1820	0.025	2	109.8761	3.557	9	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.0243	0.410	3	109.8761	3.557	9	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.0395	0.039	2	109.0685	0.002	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.0975	0.011	2	109.0685	0.002	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.4490	0.010	2	108.4490	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.0270	0.000	1	109.0270	0.000	1	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.7750	0.395	2	108.7750	0.156	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.9345	1.090	2	109.9345	1.187	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.4420	0.025	2	109.4420	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CS)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CS)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|S<2>,3|C<4>}	H(C[6]C[6]2H)	108.5690	0.000	1	108.5690	0.000	1	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3230	0.006	2	109.3230	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.8775	1.080	2	110.8775	1.166	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	108.6160	0.000	1	108.6160	0.000	1	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.3169	0.059	7	109.2976	0.031	13	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3795	0.008	2	109.2976	0.031	13	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9435	0.033	2	109.2976	0.031	13	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5025	0.015	2	109.2976	0.031	13	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.9610	0.008	2	109.9610	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H)2	C[6](C[6]Si[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H)2{1|Si<4>,1|B<3>,2|H<1>,3|C<3>}	C[6](C[6]Si[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.9210	0.058	2	108.9210	0.003	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]Cl2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]Cl2)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{2|Cl<1>,1|C<4>}	H(C[6]C[6]2H)	109.6700	0.000	1	109.6700	0.000	1	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	110.1165	0.008	2	109.6820	0.252	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.2475	0.033	2	109.6820	0.252	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.2890	0.004	2	109.2875	0.013	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.2870	0.133	6	109.2875	0.013	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x4]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3x4]C[5,6]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.8720	1.416	2	108.8720	2.004	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.5740	0.054	2	109.3116	0.039	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1740	0.055	2	109.3116	0.039	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2493	0.158	4	109.3116	0.039	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.2550	0.000	1	109.2550	0.000	1	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5250	0.016	2	109.5904	0.365	29	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4340	0.000	1	109.5904	0.365	29	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8415	1.288	2	109.5904	0.365	29	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.7570	0.038	2	109.5904	0.365	29	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.9200	0.010	2	109.5904	0.365	29	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	110.1750	0.878	3	109.5904	0.365	29	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6185	1.067	2	109.5904	0.365	29	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5785	0.030	2	109.5904	0.365	29	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2290	1.076	4	109.5904	0.365	29	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4183	0.142	9	109.5904	0.365	29	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6050	0.011	2	109.6050	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4090	1.802	2	109.5399	0.410	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7123	0.216	6	109.5399	0.410	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1110	0.168	2	109.5399	0.410	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.6250	0.000	1	109.5399	0.410	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8895	2.145	6	109.2703	0.643	48	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4337	0.096	6	109.2703	0.643	48	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0016	0.223	15	109.2703	0.643	48	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<2>,2|O<2>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5385	0.016	2	109.2703	0.643	48	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5450	0.000	1	109.2703	0.643	48	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.8945	0.022	2	109.2703	0.643	48	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8798	0.129	8	109.2703	0.643	48	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7065	0.026	2	109.2703	0.643	48	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1913	0.185	6	109.2703	0.643	48	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6110	0.008	2	109.4493	0.055	42	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.7370	0.021	2	109.4493	0.055	42	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2957	0.420	4	109.4493	0.055	42	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0295	0.071	2	109.4493	0.055	42	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.6350	0.028	2	109.4493	0.055	42	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4940	0.108	6	109.4493	0.055	42	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.3070	0.125	4	109.4493	0.055	42	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5439	0.101	8	109.4493	0.055	42	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0605	0.016	2	109.4493	0.055	42	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Se<2>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.2870	0.027	4	109.4493	0.055	42	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6513	0.127	3	109.4493	0.055	42	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6355	0.030	2	109.4493	0.055	42	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.6240	0.000	1	109.4493	0.055	42	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2360	0.010	2	109.2360	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.6070	0.027	2	109.5826	0.019	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5745	0.162	6	109.5826	0.019	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	109.4100	0.033	8	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.7255	0.012	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.5340	0.014	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5980	1.498	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.6010	0.000	1	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1920	0.025	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7835	0.115	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5735	0.015	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6522	0.854	4	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1915	0.489	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6588	0.187	5	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.0805	0.022	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1617	0.138	7	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2281	0.108	10	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.2710	0.040	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.3030	0.000	1	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	110.4778	1.060	6	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.1710	0.000	1	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	109.3710	0.040	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	108.6790	2.773	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6255	0.021	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.8332	0.694	5	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.8510	0.783	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.2680	0.099	3	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.8850	1.785	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	110.1405	0.278	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3116	0.133	8	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3273	0.988	31	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.3180	0.000	1	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.6634	0.195	9	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4425	0.025	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	112.2165	1.220	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5695	0.725	25	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.6730	0.004	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3140	0.013	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2170	0.007	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.2237	0.879	32	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|P<2>,2|H<1>}	H(C[6]C[6]2H)	109.3064	0.118	9	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|P<3>,2|H<1>}	H(C[6]C[6]2H)	109.4715	0.026	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3165	0.037	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8150	1.388	6	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	107.8345	1.850	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3930	0.021	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|P<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.2521	0.113	9	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|P<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.2720	0.006	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|P<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4635	0.040	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	108.3760	1.533	23	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.3260	1.971	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.6505	0.047	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	109.4840	0.138	6	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8222	0.291	4	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.5705	0.016	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7543	1.782	14	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.6273	0.088	7	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3330	0.065	4	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.0460	0.483	4	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2585	0.015	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3820	0.000	1	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8473	0.145	9	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	108.5763	0.749	3	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.9323	0.876	315	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.0250	0.013	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.7395	0.006	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	111.8372	6.149	4	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.0430	0.021	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6227	0.491	57	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.7480	0.024	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4685	0.043	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.9120	0.000	1	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.5468	0.121	6	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,1|P<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4805	0.018	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.6510	0.000	1	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6173	0.009	3	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3480	0.055	8	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	107.4042	5.277	4	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5360	0.051	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.3195	0.027	4	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.8237	0.603	4	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.5470	0.000	1	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5910	0.016	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Fe<8>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Fe<8>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2871	0.301	44	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.7960	0.000	1	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	113.6885	6.704	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2505	0.025	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1360	3.434	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.2335	2.019	4	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1095	0.484	6	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Re<8>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Re<8>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2438	0.115	4	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Rh<8>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Rh<8>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0671	1.017	28	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Se<2>,1|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1890	0.428	9	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Se<4>,1|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6330	0.000	1	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Ti<12>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Ti<12>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2945	0.131	6	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Ti<8>,1|C<4>,1|P<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Ti<8>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5840	0.035	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Ti<8>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Ti<8>,1|C<4>,1|P<3>,2|H<1>}	H(C[6]C[6]2H)	109.4370	0.000	1	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Zr<12>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Zr<12>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	106.8791	4.162	8	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Zr<13>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Zr<13>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8106	0.630	23	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Zr<14>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Zr<14>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1366	0.207	14	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5042	0.262	4	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.2965	0.015	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	107.0897	1.479	3	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Se<2>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.8494	0.433	9	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Se<4>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5275	0.025	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9670	0.887	132	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4945	0.613	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	110.2290	2.326	4	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8899	1.310	26	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.0256	1.547	15	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4671	0.446	59	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,1|P<4>,2|H<1>}	H(C[6]C[6]2H)	109.6060	0.010	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.6545	0.040	4	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.1585	4.867	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7452	2.956	5	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2541	0.872	30	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3830	0.000	1	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3278	0.045	4	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.7345	0.859	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4117	0.080	4	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.0580	0.051	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4450	0.006	2	109.1801	1.263	1213	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|I<1>,3|C<4>}	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.5845	0.052	2	109.6013	0.001	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|I<1>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.6098	0.035	4	109.6013	0.001	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9763	0.353	3	109.1042	0.093	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Fe<10>,1|H<1>,1|N<4>,2|C<4>}	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2{1|Fe<10>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2960	0.024	2	109.1042	0.093	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.7050	0.008	2	109.2407	1.821	21	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.0805	4.105	2	109.2407	1.821	21	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.5658	0.058	4	109.2407	1.821	21	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9960	0.004	2	109.2407	1.821	21	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	109.8320	0.000	1	109.2407	1.821	21	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5447	2.227	4	109.2407	1.821	21	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0362	0.104	6	109.2407	1.821	21	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HP)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|P<4>,2|H<1>}	C[6](C[6]C[5,6]HP)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6287	0.098	6	109.6287	0.010	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.8625	1.286	2	109.8625	1.654	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	112.0815	4.600	4	111.3327	14.043	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8350	0.044	2	111.3327	14.043	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|F<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.3100	0.274	2	108.3100	0.075	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3065	0.083	2	109.2677	0.048	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2735	0.011	2	109.2677	0.048	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|S<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4783	0.075	4	109.2677	0.048	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,1|S<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0350	0.185	4	109.2677	0.048	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6165	0.071	2	109.6165	0.005	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3773	0.140	4	109.3773	0.020	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4617	0.027	4	109.5368	0.019	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.5890	0.044	2	109.5368	0.019	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4085	0.039	2	109.5368	0.019	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7630	0.007	2	109.5368	0.019	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3340	0.111	3	109.3340	0.012	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4040	0.016	2	109.4040	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7425	0.139	2	109.7425	0.019	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8590	0.024	2	109.5758	1.367	18	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.8360	0.662	2	109.5758	1.367	18	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4895	0.008	2	109.5758	1.367	18	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8242	0.068	6	109.5758	1.367	18	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.4485	2.862	2	109.5758	1.367	18	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5385	0.776	4	109.5758	1.367	18	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.7750	1.430	4	110.4461	1.775	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.4946	1.578	5	110.4461	1.775	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6670	0.017	2	110.4461	1.775	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4465	0.153	4	109.4553	0.865	710	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.7380	1.570	2	109.4553	0.865	710	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3732	0.492	46	109.4553	0.865	710	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.5020	0.052	2	109.4553	0.865	710	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4201	0.304	74	109.4553	0.865	710	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.6835	0.104	2	109.4553	0.865	710	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3732	0.647	141	109.4553	0.865	710	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2658	0.081	12	109.4553	0.865	710	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3772	0.053	9	109.4553	0.865	710	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3689	0.061	15	109.4553	0.865	710	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4636	0.250	7	109.4553	0.865	710	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5230	0.057	2	109.4553	0.865	710	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.7905	0.035	2	109.4553	0.865	710	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6281	0.708	20	109.4553	0.865	710	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3919	0.041	10	109.4553	0.865	710	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5290	1.018	206	109.4553	0.865	710	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1250	0.122	2	109.4553	0.865	710	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4430	0.020	2	109.4553	0.865	710	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5190	0.034	2	109.4553	0.865	710	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4340	0.008	2	109.4553	0.865	710	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3930	0.182	32	109.4553	0.865	710	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4854	0.041	5	109.4553	0.865	710	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.7990	0.392	2	109.4553	0.865	710	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.9643	3.902	19	109.4553	0.865	710	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4585	0.016	2	109.4553	0.865	710	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3645	0.053	4	109.4553	0.865	710	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.6097	0.201	4	109.4553	0.865	710	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4615	0.199	6	109.4553	0.865	710	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4295	0.536	74	109.4553	0.865	710	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|O<2>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3670	0.035	2	109.3670	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|O<2>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6105	0.011	2	109.6105	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.8965	2.163	2	109.6915	0.509	14	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5371	0.210	8	109.6915	0.509	14	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8978	0.628	4	109.6915	0.509	14	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]C[6a]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]N[5,6]C[6a]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.8233	0.107	4	109.8233	0.012	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.5165	0.051	4	109.4790	0.136	84	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3786	0.916	12	109.4790	0.136	84	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.5932	0.251	6	109.4790	0.136	84	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[6]C[6]2H)	109.1778	0.034	4	109.4790	0.136	84	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5047	0.134	49	109.4790	0.136	84	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3795	0.086	4	109.4790	0.136	84	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3290	0.000	1	109.4790	0.136	84	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.6945	0.062	4	109.4790	0.136	84	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]P[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]P[5,6]HH)(C[6]C[6]HH)(H)2{1|S<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5355	2.182	4	109.5355	4.761	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|I<1>,3|C<4>}	H(C[6]C[6]2H)	109.1800	0.000	1	109.2476	0.004	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|I<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2645	0.060	4	109.2476	0.004	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|I<1>}	H(C[6]C[6]2H)	109.0247	0.180	4	109.0247	0.032	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	108.9483	0.191	3	109.3210	0.279	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2{1|Fe<10>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Fe<10>,1|H<1>,1|N<4>,2|C<4>}	H(C[6]C[6]2H)	109.8800	0.033	2	109.3210	0.279	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	109.3660	0.025	2	109.3660	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5018	0.078	4	109.5018	0.006	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|O<2>}	H(C[6]C[6]2H)	109.4805	0.168	4	109.4805	0.028	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	108.6650	0.042	2	108.9514	0.042	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.6820	0.000	1	108.9514	0.042	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.0717	0.078	7	108.9514	0.042	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3175	0.030	2	109.4632	0.019	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.5360	0.104	4	109.4632	0.019	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.4885	0.043	2	109.4595	0.497	22	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5235	0.042	2	109.4595	0.497	22	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8080	0.900	4	109.4595	0.497	22	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.6453	0.052	4	109.4595	0.497	22	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	111.0875	0.091	2	109.4595	0.497	22	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.5280	0.033	2	109.4595	0.497	22	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1735	0.260	6	109.4595	0.497	22	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|Fe<8>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|Fe<8>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.3621	0.337	16	109.3621	0.114	16	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]RuH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|Ru<6>,1|Ru<7>,1|C<4>,1|C<5>,1|H<1>}	C[6](C[6]C[5,6]RuH)(C[6]C[6]HH)(H)2{1|Ru<7>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.1885	0.070	4	109.1885	0.005	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.2335	0.019	2	109.2010	0.057	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.1848	0.306	4	109.2010	0.057	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.1865	0.059	2	109.2225	0.005	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.2585	0.071	2	109.2225	0.005	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4543	0.278	4	109.4543	0.077	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.7780	1.095	2	109.7328	0.974	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	110.8075	2.039	2	109.7328	0.974	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.3595	0.227	6	109.7328	0.974	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.6350	0.117	2	109.2740	0.248	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5935	0.008	4	109.2740	0.248	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HP)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HP)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|P<4>,2|H<1>}	H(C[6]C[6]2H)	108.8702	0.083	6	108.8702	0.007	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	108.9696	0.473	10	108.9696	0.223	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]RuH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]RuH)(C[6]C[6]HH)(H)2{1|Ru<7>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|Ru<6>,1|Ru<7>,1|C<4>,1|C<5>,1|H<1>}	H(C[6]C[6]2H)	108.9550	0.148	4	108.9550	0.022	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]SiH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]SiH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	109.4020	0.016	3	109.4020	0.000	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1354	0.172	13	108.9193	0.101	45	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Fe<10>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.7925	0.063	4	108.9193	0.101	45	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2{2|Mo<8>,4|H<1>,5|C<4>}	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9483	0.218	4	108.9193	0.101	45	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2{2|Mo<9>,4|H<1>,5|C<4>}	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.8123	0.137	4	108.9193	0.101	45	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2{2|Sm<15>,2|N<4>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.8025	0.379	13	108.9193	0.101	45	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2{2|W<8>,4|H<1>,5|C<4>}	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0327	0.556	4	108.9193	0.101	45	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2{2|W<9>,4|H<1>,5|C<4>}	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.6117	0.030	3	108.9193	0.101	45	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|S<2>,3|C<4>}	H(C[6]C[6]2H)	109.0415	0.037	2	109.0415	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2{1|Zr<13>,3|H<1>,4|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.5700	0.317	4	108.5700	0.100	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9836	0.119	7	108.9206	0.090	19	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2{1|Ru<8>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1328	0.246	4	108.9206	0.090	19	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2{1|Ti<12>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9920	0.204	4	108.9206	0.090	19	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2{1|Zr<12>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.5270	0.360	4	108.9206	0.090	19	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|S<2>}	H(C[6]C[6]2H)	109.6405	0.026	2	109.6405	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1072	0.072	4	109.7069	1.340	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.3065	1.471	4	109.7069	1.340	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6080	0.000	1	109.6080	0.000	1	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	109.1803	0.044	4	109.1803	0.002	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|B<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2103	0.052	3	109.3663	0.388	319	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|B<3>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1493	0.024	3	109.3663	0.388	319	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.9115	1.630	11	109.3663	0.388	319	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3335	0.009	2	109.3663	0.388	319	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3846	0.099	18	109.3663	0.388	319	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3647	0.152	6	109.3663	0.388	319	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5045	0.090	2	109.3663	0.388	319	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5330	0.000	1	109.3663	0.388	319	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2407	0.752	4	109.3663	0.388	319	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3530	0.037	4	109.3663	0.388	319	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1362	0.187	5	109.3663	0.388	319	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8928	0.017	4	109.3663	0.388	319	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.4963	0.388	4	109.3663	0.388	319	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.4352	0.081	4	109.3663	0.388	319	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2115	0.022	2	109.3663	0.388	319	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1783	0.063	3	109.3663	0.388	319	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9610	0.038	2	109.3663	0.388	319	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6580	1.947	2	109.3663	0.388	319	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2125	0.036	2	109.3663	0.388	319	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6508	0.901	4	109.3663	0.388	319	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.4340	0.008	2	109.3663	0.388	319	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.1615	1.416	2	109.3663	0.388	319	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3490	0.097	3	109.3663	0.388	319	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3824	0.202	7	109.3663	0.388	319	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4910	0.218	3	109.3663	0.388	319	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|O<2>,5|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1625	0.292	8	109.3663	0.388	319	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Co<10>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4632	0.122	6	109.3663	0.388	319	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Fe<10>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2104	0.114	13	109.3663	0.388	319	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Mn<10>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2354	0.171	26	109.3663	0.388	319	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Mo<9>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0555	0.174	8	109.3663	0.388	319	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3705	0.240	43	109.3663	0.388	319	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3265	0.030	2	109.3663	0.388	319	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2758	0.147	14	109.3663	0.388	319	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.1035	0.113	4	109.3663	0.388	319	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4685	0.062	4	109.3663	0.388	319	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Os<10>,1|P<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7670	2.047	8	109.3663	0.388	319	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Os<11>,1|P<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3347	0.224	15	109.3663	0.388	319	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Os<11>,1|P<5>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4399	0.152	13	109.3663	0.388	319	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Ru<11>,1|P<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0521	0.889	8	109.3663	0.388	319	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Ru<11>,1|P<5>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5796	0.358	8	109.3663	0.388	319	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Zr<12>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1450	0.092	12	109.3663	0.388	319	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2580	0.070	6	109.3663	0.388	319	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2292	0.173	18	109.3663	0.388	319	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3190	0.025	3	109.2964	0.005	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2625	0.114	2	109.2964	0.005	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2823	0.043	4	109.1295	0.034	23	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.1563	0.156	13	109.1295	0.034	23	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1585	0.015	2	109.1295	0.034	23	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0295	0.005	2	109.1295	0.034	23	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.7210	0.014	2	109.1295	0.034	23	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]S)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]S)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7378	0.052	4	108.7378	0.003	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]O[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]O[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.8695	0.025	2	108.8695	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,5|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7140	0.075	2	109.7140	0.006	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(H)2{2|O<2>,4|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5610	0.023	2	109.5610	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.5950	0.023	2	109.5950	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.6875	0.006	2	109.6875	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]O[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]O[6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	111.2455	2.705	2	111.2455	7.315	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>}	H(C[6]C[6]2H)	109.3855	0.005	2	109.1263	0.031	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	109.0337	0.222	4	109.1263	0.031	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.0305	0.029	2	109.1263	0.031	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.1372	0.018	4	109.1263	0.031	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6]2H)	108.8385	0.009	2	108.9856	0.032	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	108.9885	0.029	2	108.9856	0.032	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.2740	0.000	1	108.9856	0.032	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.0880	0.172	5	109.0880	0.030	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	108.8665	0.009	2	108.8665	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[5a]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[5a]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.1855	0.034	4	109.1855	0.001	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[5a]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[5a]H)(C[6]C[6]HH)(H)2{1|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	109.2680	0.014	2	109.2680	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{4|C<3>}	H(C[6]C[6]2H)	109.1530	0.195	3	109.1530	0.038	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0435	0.036	2	109.1048	0.005	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0845	0.036	2	109.1048	0.005	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.1865	0.006	2	109.1048	0.005	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5a,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.2955	0.015	2	109.2955	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]C[5a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5a,6]C[5a]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.4947	0.068	4	109.4947	0.005	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{4|C<3>}	C[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.4207	0.086	3	109.4207	0.007	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1688	0.142	4	109.0444	0.858	351	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	109.0910	0.030	2	109.0444	0.858	351	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0678	0.597	33	109.0444	0.858	351	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1603	0.137	4	109.0444	0.858	351	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.5535	0.033	2	109.0444	0.858	351	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0150	1.007	104	109.0444	0.858	351	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.4123	0.096	4	109.0444	0.858	351	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.1143	0.548	31	109.0444	0.858	351	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.2345	0.049	4	109.0444	0.858	351	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	108.9575	0.861	105	109.0444	0.858	351	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1296	1.293	58	109.0444	0.858	351	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.4325	0.009	2	109.4325	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	106.4860	0.054	2	108.3415	2.093	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0870	0.041	2	108.3415	2.093	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.4515	0.005	2	108.3415	2.093	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1700	0.000	1	109.1700	0.000	1	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0485	0.054	2	108.8110	0.256	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.7318	0.572	6	108.8110	0.256	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]C[5a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]C[5a]H)(C[6]C[6]HH)(H)2{1|H<1>,2|N<3>,3|C<3>}	H(C[6]C[6]2H)	109.1955	0.032	2	109.1955	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	109.0565	0.009	2	109.0565	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.1020	0.000	1	108.3778	0.937	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>}	H(C[6]C[6]2H)	107.3180	0.016	2	108.3778	0.937	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.0755	0.057	2	108.3778	0.937	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	109.6960	0.023	2	109.6960	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.5560	0.307	45	108.6426	0.124	54	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0569	0.229	8	108.6426	0.124	54	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]2C[6])(C[6]C[6]HH)(H)2{2|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.2260	0.000	1	108.6426	0.124	54	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2045	0.655	4	109.2045	0.429	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	109.1165	0.046	2	109.1165	0.002	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.8007	0.166	4	109.8007	0.028	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3607	0.260	8	109.4723	0.342	66	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6869	0.342	8	109.4723	0.342	66	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3612	0.096	8	109.4723	0.342	66	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5553	0.077	4	109.4723	0.342	66	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4552	0.177	11	109.4723	0.342	66	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3858	0.022	4	109.4723	0.342	66	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	112.1870	1.482	2	109.4723	0.342	66	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.1805	0.063	2	109.4723	0.342	66	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2269	0.479	8	109.4723	0.342	66	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.3663	0.075	3	109.4723	0.342	66	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.2280	0.017	2	109.4723	0.342	66	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1765	0.041	4	109.4723	0.342	66	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1605	0.006	2	109.4723	0.342	66	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]N)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.1100	0.099	6	109.1100	0.010	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.0365	0.144	24	109.1041	0.027	36	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.2554	0.113	8	109.1041	0.027	36	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.2073	0.128	4	109.1041	0.027	36	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]N[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]N[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	108.9215	0.043	2	108.9215	0.002	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.0267	0.157	4	109.6208	0.542	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	110.4150	0.426	4	109.6208	0.542	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.2205	0.023	2	109.6208	0.542	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5x3,5x5,20x6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5x3,5x5,20x6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>,5|B<6>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|C<6>,2|H<1>}	H(C[6]C[6]2H)	109.0432	0.143	5	108.7581	0.134	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5x3,5x5,20x6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5x3,5x5,20x6]C[5]C[6])(C[6]C[6]HH)(H)2{1|Fe<10>,3|C<4>,4|H<1>,5|B<6>}	C[6](C[6]C[6]HH)2(H)2{1|C<6>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5205	0.322	6	108.7581	0.134	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]B[5x3,5x5,21x6]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<4>,5|B<6>}	C[6](C[6]B[5x3,5x5,21x6]HN)(C[6]C[6]HH)(H)2{1|C<6>,2|H<1>,4|B<6>}	H(C[6]C[6]2H)	108.6640	0.239	4	108.6640	0.057	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]B[5x3,5x5,21x6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,5|B<6>}	C[6](C[6]B[5x3,5x5,21x6]HO)(C[6]C[6]HH)(H)2{1|C<6>,2|H<1>,4|B<6>}	H(C[6]C[6]2H)	109.0445	0.073	2	109.0445	0.005	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]B[5x3,5x5,21x6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,5|B<6>}	C[6](C[6]B[5x3,5x5,21x6]N[6]H)(C[6]C[6]HH)(H)2{1|C<6>,2|C<3>,2|H<1>,4|B<6>}	H(C[6]C[6]2H)	108.8885	0.009	2	108.8885	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HH)(H)2{1|C<6>,2|H<1>,4|B<6>}	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HH)(H)2{1|C<6>,2|H<1>,4|B<6>}	H(C[6]C[6]2H)	107.7567	0.246	4	107.7567	0.061	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5x6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2990	0.000	1	109.2990	0.000	1	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]B[6a]B[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]B[6a]B[5])(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|B<3>,2|C<4>}	H(C[6]C[6]2H)	109.4050	0.018	2	109.4050	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]BrC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]BrC)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)2(H)2{1|Br<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.7815	0.573	2	110.7815	0.329	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.5060	0.049	2	109.5060	0.002	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.6145	0.028	2	109.6145	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.6448	0.144	4	108.8272	0.031	14	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	108.8496	0.081	8	108.8272	0.031	14	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.1025	0.015	2	108.8272	0.031	14	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>}	H(C[6]C[6]2H)	108.8300	0.376	15	109.1260	1.137	34	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	109.8930	0.000	1	109.1260	1.137	34	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.7305	1.173	2	109.1260	1.137	34	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|Cr<9>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|Cr<9>,4|C<4>}	H(C[6]C[6]2H)	109.0838	2.261	4	109.1260	1.137	34	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.5122	1.161	12	109.1260	1.137	34	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.8143	0.079	6	108.7947	0.214	551	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.0303	0.091	3	108.7947	0.214	551	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.0390	0.035	2	108.7947	0.214	551	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.5027	0.130	6	108.7947	0.214	551	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.1971	0.282	7	108.7947	0.214	551	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	108.8459	0.091	14	108.7947	0.214	551	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6]2H)	108.7265	0.141	6	108.7947	0.214	551	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6]2H)	108.7060	0.013	2	108.7947	0.214	551	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	108.4964	0.147	5	108.7947	0.214	551	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.8090	0.008	2	108.7947	0.214	551	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6]2H)	108.8054	0.111	5	108.7947	0.214	551	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.3920	0.027	2	108.7947	0.214	551	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.6410	0.024	2	108.7947	0.214	551	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.2000	2.270	2	108.7947	0.214	551	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	108.8162	0.273	201	108.7947	0.214	551	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.8575	0.011	2	108.7947	0.214	551	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.7285	0.128	10	108.7947	0.214	551	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.9366	0.178	60	108.7947	0.214	551	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>}	H(C[6]C[6]2H)	109.0090	0.055	2	108.7947	0.214	551	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6]2H)	108.6932	0.635	212	108.7947	0.214	551	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6]2H)	108.8950	0.028	2	108.8437	0.205	34	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.0673	0.259	6	108.8437	0.205	34	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6]2H)	107.9285	1.812	2	108.8437	0.205	34	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6]2H)	108.6400	0.115	10	108.8437	0.205	34	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	109.1110	0.036	7	108.8437	0.205	34	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6]2H)	108.9227	0.107	7	108.8437	0.205	34	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.0413	0.025	4	109.0413	0.001	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.6963	0.321	12	108.6963	0.103	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	108.8875	0.042	2	108.8875	0.002	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.2005	0.022	2	109.2005	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.2155	0.008	2	109.1699	0.059	64	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1025	0.012	2	109.1699	0.059	64	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3915	0.030	2	109.1699	0.059	64	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.4340	0.045	2	109.1699	0.059	64	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0555	0.025	2	109.1699	0.059	64	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.7260	0.014	2	109.1699	0.059	64	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.0247	0.312	4	109.1699	0.059	64	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1705	0.138	11	109.1699	0.059	64	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.1205	0.212	4	109.1699	0.059	64	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2800	0.125	4	109.1699	0.059	64	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4595	0.129	4	109.1699	0.059	64	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0743	0.133	6	109.1699	0.059	64	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1822	0.035	4	109.1699	0.059	64	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.5520	0.018	2	109.1699	0.059	64	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2438	0.083	4	109.1699	0.059	64	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.1484	0.320	5	109.1699	0.059	64	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9038	0.048	4	109.1699	0.059	64	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|C<3>}	C[6](C[6]C[6,6]CN)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	109.4400	0.018	2	109.4400	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1590	0.013	2	108.8597	0.097	9	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.6677	0.116	6	108.8597	0.097	9	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4130	0.000	1	108.8597	0.097	9	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8140	0.007	2	108.9852	0.230	77	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1497	0.027	3	108.9852	0.230	77	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	108.6855	0.029	2	108.9852	0.230	77	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1090	0.023	2	108.9852	0.230	77	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.7535	0.032	2	108.9852	0.230	77	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.8670	0.232	2	108.9852	0.230	77	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	108.9831	0.052	7	108.9852	0.230	77	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|Ir<5>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.4112	0.720	6	108.9852	0.230	77	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|Ir<6>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4960	0.021	2	108.9852	0.230	77	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|Ir<7>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9210	0.000	1	108.9852	0.230	77	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.8230	0.030	2	108.9852	0.230	77	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.1270	0.070	4	108.9852	0.230	77	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1920	0.243	8	108.9852	0.230	77	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3760	0.000	1	108.9852	0.230	77	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.0875	0.021	2	108.9852	0.230	77	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.1651	0.141	9	108.9852	0.230	77	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.8739	0.695	8	108.9852	0.230	77	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.3095	1.057	4	108.9852	0.230	77	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3385	0.035	2	108.9852	0.230	77	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0830	0.023	2	108.9852	0.230	77	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9822	0.051	6	108.9852	0.230	77	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0770	0.016	2	109.0146	0.025	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.0773	0.088	6	109.0146	0.025	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.8477	0.214	3	109.0146	0.025	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2715	0.019	2	109.0358	0.059	19	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3120	0.038	2	109.0358	0.059	19	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|S<2>,1|S<3>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1711	0.046	7	109.0358	0.059	19	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7894	0.154	8	109.0358	0.059	19	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.3533	0.115	3	109.3533	0.013	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0005	0.019	2	109.3027	0.418	15	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3802	0.042	5	109.3027	0.418	15	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4877	1.003	6	109.3027	0.418	15	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8560	0.038	2	109.3027	0.418	15	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.5480	1.194	2	109.5480	1.425	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]C[5a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]N[6,6]C[5a]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3645	0.199	4	109.3645	0.039	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.4280	0.135	4	109.2075	0.855	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	108.7665	1.907	2	109.2075	0.855	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CN)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|C<3>}	H(C[6]C[6]2H)	109.3595	0.009	2	109.3595	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CN)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,3|C<4>}	H(C[6]C[6]2H)	108.6805	0.026	2	108.6805	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.9430	0.038	2	108.9430	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.9970	0.068	6	109.0243	0.006	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.0050	0.052	2	109.0243	0.006	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.1255	0.035	2	109.0243	0.006	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.2495	0.019	2	109.2495	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.7745	0.054	2	108.8726	0.070	35	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.9795	0.008	2	108.8726	0.070	35	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.9395	0.157	8	108.8726	0.070	35	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.3525	0.019	2	108.8726	0.070	35	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.8005	0.279	21	108.8726	0.070	35	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.8503	0.055	4	108.8503	0.003	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9725	0.023	2	108.9725	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.1170	0.000	1	109.1170	0.000	1	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CS)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CS)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<2>}	H(C[6]C[6]2H)	109.4340	0.000	1	109.4340	0.000	1	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9715	0.016	2	108.9715	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>,3|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.8050	0.000	1	109.8050	0.000	1	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(H)2{1|N<2>,1|S<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.1697	0.063	4	109.1697	0.004	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3280	0.048	2	109.3280	0.002	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3858	0.017	4	109.3624	0.021	16	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4403	0.085	4	109.3624	0.021	16	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4793	0.046	4	109.3624	0.021	16	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1442	0.079	4	109.3624	0.021	16	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6]N)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>}	H(C[6]C[6]2H)	109.4580	0.134	2	109.0523	0.112	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6]N)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<4>,3|C<3>}	H(C[6]C[6]2H)	108.8495	0.130	4	109.0523	0.112	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]2)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|F<1>,4|C<3>}	H(C[6]C[6]2H)	108.6460	0.163	10	108.6460	0.027	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3645	0.008	2	109.3645	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.4285	0.029	2	109.4285	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4140	0.000	1	109.4140	0.000	1	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.0120	0.649	4	108.0120	0.421	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0140	0.008	2	109.0140	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.3785	0.061	4	109.3456	0.010	14	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1730	0.021	2	109.3456	0.010	14	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4750	0.035	2	109.3456	0.010	14	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.3053	0.033	4	109.3456	0.010	14	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.4035	0.008	2	109.3456	0.010	14	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3548	0.157	6	109.3548	0.025	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.5520	2.664	2	107.5520	7.099	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.8020	0.000	1	109.4764	3.936	20	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3680	0.018	2	109.4764	3.936	20	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5105	0.006	2	109.4764	3.936	20	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3985	0.057	2	109.4764	3.936	20	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.5160	0.023	2	109.4764	3.936	20	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5520	3.857	6	109.4764	3.936	20	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5220	0.000	1	109.4764	3.936	20	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1465	0.054	2	109.4764	3.936	20	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.5065	0.032	2	109.4764	3.936	20	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	110.7150	0.387	2	110.7150	0.150	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|S<2>,3|C<4>}	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6]2H)	109.4100	0.051	2	109.4100	0.003	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|S<2>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6]2H)	109.4880	0.000	1	109.4880	0.000	1	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]B[6a]B[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|B<3>,2|C<4>}	C[6](C[6]C[6,6]B[6a]B[5])(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.3320	0.023	2	109.3320	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7340	0.000	1	109.4502	0.203	560	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7260	0.113	5	109.4502	0.203	560	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3015	0.012	2	109.4502	0.203	560	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7010	0.051	3	109.4502	0.203	560	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6940	0.201	2	109.4502	0.203	560	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6345	0.006	2	109.4502	0.203	560	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5200	0.203	16	109.4502	0.203	560	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4688	0.201	4	109.4502	0.203	560	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3958	0.227	206	109.4502	0.203	560	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7010	0.000	1	109.4502	0.203	560	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3405	0.174	10	109.4502	0.203	560	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8195	0.091	6	109.4502	0.203	560	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1341	0.359	7	109.4502	0.203	560	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0230	0.000	1	109.4502	0.203	560	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3487	0.147	60	109.4502	0.203	560	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5145	0.019	2	109.4502	0.203	560	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4503	0.217	6	109.4502	0.203	560	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5900	0.016	2	109.4502	0.203	560	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2848	0.112	6	109.4502	0.203	560	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5191	0.658	218	109.4502	0.203	560	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7460	0.027	2	109.4343	0.220	78	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5243	0.095	7	109.4343	0.220	78	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6593	0.060	4	109.4343	0.220	78	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2831	0.488	8	109.4343	0.220	78	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3380	0.000	1	109.4343	0.220	78	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4995	0.005	2	109.4343	0.220	78	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3780	0.000	1	109.4343	0.220	78	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2860	0.014	2	109.4343	0.220	78	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4435	0.009	2	109.4343	0.220	78	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5260	0.021	2	109.4343	0.220	78	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3259	0.209	9	109.4343	0.220	78	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5910	0.089	4	109.4343	0.220	78	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3312	0.600	8	109.4343	0.220	78	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7645	0.054	2	109.4343	0.220	78	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.0430	0.014	2	109.4343	0.220	78	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.6598	0.248	4	109.4343	0.220	78	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|Ir<5>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8822	0.152	5	109.4343	0.220	78	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|Ir<6>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9415	0.013	2	109.4343	0.220	78	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|Ir<7>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1450	0.020	2	109.4343	0.220	78	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6510	1.589	4	109.4343	0.220	78	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4396	0.211	5	109.4343	0.220	78	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,3|C<4>}	C[6](C[6]C[6,6]CN)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5645	0.059	2	109.5645	0.003	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	111.0150	1.445	2	109.4845	0.262	35	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3965	0.008	2	109.4845	0.262	35	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2356	0.099	8	109.4845	0.262	35	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1350	0.020	2	109.4845	0.262	35	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4752	0.256	21	109.4845	0.262	35	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CS)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6,6]CS)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5145	0.008	2	109.5145	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(H)2{1|N<2>,1|S<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6300	0.051	3	109.6300	0.003	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.2935	0.035	2	109.2935	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]C[6]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>}	C[6](C[6]C[6,6]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2590	0.015	4	109.5030	0.080	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]C[6]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<4>,3|C<3>}	C[6](C[6]C[6,6]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7470	0.167	4	109.5030	0.080	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]C[6a]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|F<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]2)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.7568	0.055	9	109.7568	0.003	9	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8170	0.014	2	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.6420	0.008	2	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3997	0.076	6	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7274	0.507	15	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4071	0.111	8	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.2081	1.304	20	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2845	0.388	31	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.3650	0.445	5	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4190	0.018	2	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.3350	0.017	2	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6885	1.848	11	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5585	0.016	2	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6348	0.169	6	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3915	0.009	2	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.1230	0.010	2	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3923	0.245	28	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3946	0.061	7	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.2655	0.082	4	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.6540	0.000	1	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4435	0.134	2	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.5315	0.213	4	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2571	3.222	34	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3123	0.040	3	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4357	0.346	4	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4907	0.941	20	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4175	0.015	2	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7055	0.019	2	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8182	0.921	12	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.1920	0.000	1	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5467	0.107	7	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3641	0.117	9	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	110.7960	0.966	4	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3717	0.099	3	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.7525	0.023	2	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	109.3379	0.104	11	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	107.1735	0.015	2	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5190	0.000	1	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.6340	0.024	2	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6723	0.524	8	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4515	0.022	2	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4800	0.024	2	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	107.1800	0.027	2	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.1777	1.040	45	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.5250	0.008	2	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.5870	0.000	1	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	109.1025	0.015	2	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4780	0.628	25	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4760	0.000	1	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4110	0.175	9	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4457	0.062	3	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.2350	0.007	2	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.6050	0.000	1	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.1083	0.797	11	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1695	2.003	2	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6360	0.455	7	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	107.5180	1.031	2	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.2675	0.008	2	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	110.2570	2.301	4	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6672	0.028	4	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5760	0.008	2	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4260	0.000	1	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4690	0.054	6	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|In<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3805	0.750	2	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.6850	0.048	6	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5740	0.102	7	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.6805	0.985	2	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3337	0.138	29	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2983	0.069	3	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5093	0.335	15	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4160	0.041	4	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1180	0.084	4	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5932	0.048	6	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.6926	0.784	22	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2760	0.000	1	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.5877	0.229	15	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8187	2.513	35	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2798	0.091	9	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.7346	0.732	8	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5050	0.604	23	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.4087	0.183	7	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.7240	2.090	7	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	109.3533	0.270	3	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.4243	0.173	7	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|In<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7615	0.583	2	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3045	1.012	18	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2748	1.043	89	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4563	0.578	23	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.3280	0.035	2	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.3252	0.175	8	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4630	0.112	4	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6950	0.956	4	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	110.9990	1.916	2	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5745	0.123	4	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3560	0.726	22	109.3936	1.280	820	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2{2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3820	0.004	2	109.4024	0.018	17	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.5230	0.018	2	109.4024	0.018	17	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<4>,2|C<3>}	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.3869	0.143	13	109.4024	0.018	17	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7000	0.038	2	109.2354	1.391	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.5190	0.017	2	109.2354	1.391	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.9050	0.052	2	109.2354	1.391	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4780	0.062	2	109.2354	1.391	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4655	0.113	4	109.2354	1.391	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<3>,2|C<3>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.1693	0.527	4	109.2354	1.391	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2995	0.052	2	109.2354	1.391	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6740	0.028	2	109.2354	1.391	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6960	0.000	1	109.2354	1.391	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4630	0.030	2	109.2354	1.391	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5837	0.016	4	109.2354	1.391	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.6628	3.261	4	109.2354	1.391	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HP)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|P<4>,2|C<3>}	C[6](C[6]C[6,6]HP)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	110.3750	4.391	2	110.3750	19.282	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8190	0.991	6	109.8190	0.981	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.2370	0.014	2	109.3820	0.058	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6900	0.049	2	109.3820	0.058	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.2190	0.016	2	109.3820	0.058	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6540	0.016	3	109.6540	0.000	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.9290	1.741	2	109.9844	0.692	9	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7146	0.186	7	109.9844	0.692	9	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8095	0.025	2	109.8478	0.008	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7945	0.047	6	109.8478	0.008	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.9650	0.000	1	109.8478	0.008	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.9875	0.012	2	109.8478	0.008	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4168	0.089	8	109.4655	0.514	401	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.5797	0.432	7	109.4655	0.514	401	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3657	0.093	12	109.4655	0.514	401	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3675	0.054	2	109.4655	0.514	401	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.5345	0.006	2	109.4655	0.514	401	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6428	0.651	15	109.4655	0.514	401	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4640	0.021	2	109.4655	0.514	401	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.5125	0.018	2	109.4655	0.514	401	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2665	0.224	10	109.4655	0.514	401	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4067	0.072	6	109.4655	0.514	401	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3281	0.111	11	109.4655	0.514	401	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1609	0.270	16	109.4655	0.514	401	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.3720	0.072	6	109.4655	0.514	401	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3780	0.047	8	109.4655	0.514	401	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4323	0.121	32	109.4655	0.514	401	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)2(H)2{1|Br<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5995	0.371	2	109.4655	0.514	401	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3754	0.728	84	109.4655	0.514	401	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|S<2>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4053	0.060	3	109.4655	0.514	401	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8503	1.542	34	109.4655	0.514	401	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5337	0.615	6	109.4655	0.514	401	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3778	0.135	53	109.4655	0.514	401	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6305	0.043	2	109.4655	0.514	401	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|P<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4189	0.052	7	109.4655	0.514	401	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|P<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3954	0.237	7	109.4655	0.514	401	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7823	1.198	39	109.4655	0.514	401	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3016	0.295	25	109.4655	0.514	401	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]N[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	106.4815	4.516	2	106.4815	20.397	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.9407	1.000	6	109.7455	0.391	16	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8528	0.067	4	109.7455	0.391	16	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3708	0.065	4	109.7455	0.391	16	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6950	0.020	2	109.7455	0.391	16	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.6530	0.035	2	109.6530	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3449	0.147	30	109.8591	1.847	296	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7190	0.020	2	109.8591	1.847	296	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.9742	0.877	6	109.8591	1.847	296	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5071	0.794	18	109.8591	1.847	296	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	109.6695	0.021	2	109.8591	1.847	296	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5165	1.433	38	109.8591	1.847	296	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7335	0.579	2	109.8591	1.847	296	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Cu<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2433	1.759	12	109.8591	1.847	296	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Cu<5>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2873	0.807	8	109.8591	1.847	296	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Hg<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6195	0.141	4	109.8591	1.847	296	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Li<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8380	0.339	28	109.8591	1.847	296	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Ni<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7723	0.165	3	109.8591	1.847	296	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Pd<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.6794	1.784	58	109.8591	1.847	296	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Pd<5>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	114.2368	5.029	4	109.8591	1.847	296	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Rh<6>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.0033	0.086	4	109.8591	1.847	296	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Zn<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7397	0.205	12	109.8591	1.847	296	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5835	0.398	28	109.8591	1.847	296	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2998	0.240	4	109.8591	1.847	296	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7170	0.088	3	109.8591	1.847	296	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7700	0.008	2	109.8591	1.847	296	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0510	1.109	4	109.8591	1.847	296	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.9380	0.140	2	109.8591	1.847	296	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|N<3>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2745	0.012	2	109.8591	1.847	296	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|N<3>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.7710	0.008	2	109.8591	1.847	296	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|N<3>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8324	0.191	18	109.8591	1.847	296	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6a]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|O<2>}	C[6](C[6]N[6a]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.8220	0.000	1	109.8220	0.000	1	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	109.9285	0.040	2	109.7009	0.046	15	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<4>,2|C<3>}	H(C[6]C[6]2H)	109.7163	0.106	12	109.7009	0.046	15	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2{2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	109.0620	0.000	1	109.7009	0.046	15	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.6775	0.008	2	109.6775	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.5020	0.053	7	109.5020	0.003	7	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[5,6,6]CO)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.9235	0.022	2	109.9235	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.2735	0.012	2	109.2527	0.001	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.2110	0.000	1	109.2527	0.001	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|O<2>}	H(C[6]C[6]2H)	109.2707	0.108	4	109.2707	0.012	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.3367	0.049	6	109.2086	0.768	34	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2926	0.032	7	109.2086	0.768	34	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.6700	0.004	2	109.2086	0.768	34	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	107.3060	4.156	2	109.2086	0.768	34	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.2822	0.039	9	109.2086	0.768	34	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3165	0.101	8	109.2086	0.768	34	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.2299	0.146	7	109.2801	0.055	13	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.6330	0.034	2	109.2801	0.055	13	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.1915	0.278	4	109.2801	0.055	13	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8902	0.175	4	109.8902	0.031	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0350	0.004	2	109.2044	0.906	26	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.5930	0.024	2	109.2044	0.906	26	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.6110	0.030	2	109.2044	0.906	26	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.0605	0.028	2	109.2044	0.906	26	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<3>,2|C<3>}	H(C[6]C[6]2H)	107.6507	1.489	3	109.2044	0.906	26	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2405	0.018	2	109.2044	0.906	26	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.3440	0.000	1	109.2044	0.906	26	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.2913	0.023	3	109.2044	0.906	26	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2428	0.075	4	109.2044	0.906	26	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	111.1365	1.227	2	109.2044	0.906	26	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9403	0.706	3	109.2044	0.906	26	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4240	0.006	2	109.2442	0.043	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.0645	0.016	2	109.2442	0.043	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.3975	0.009	2	109.7720	0.188	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.1465	0.062	2	109.7720	0.188	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.2595	0.008	2	109.2595	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	H(C[6]C[6]2H)	109.2724	0.161	5	109.2724	0.026	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.3200	0.006	2	109.3200	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	108.9817	0.153	3	109.3434	0.257	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.8860	0.004	2	109.3434	0.257	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HP)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HP)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|P<4>,2|C<3>}	H(C[6]C[6]2H)	110.2130	0.574	2	110.2130	0.330	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]B[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]B[5]2)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,4|O<2>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|B<3>,2|C<3>}	H(C[6]C[6]2H)	109.3110	0.055	2	109.3110	0.003	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]BrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]BrH)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]BrH)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.5457	0.139	6	109.5457	0.019	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>}	H(C[6]C[6]2H)	109.0882	0.142	11	109.2535	1.559	66	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.2865	1.366	55	109.2535	1.559	66	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	109.3711	0.192	11	109.3185	0.047	13	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.0295	0.022	2	109.3185	0.047	13	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(H)2{2|C<4>,4|C<3>}	H(C[6]C[6]2H)	109.1068	0.041	4	109.1068	0.002	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	109.4647	0.093	3	109.0269	0.069	18	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.9394	0.181	15	109.0269	0.069	18	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.5351	0.268	11	109.5572	0.063	13	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.6790	0.030	2	109.5572	0.063	13	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.2670	0.013	2	109.8467	2.535	23	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.9020	1.659	21	109.8467	2.535	23	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CN)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	109.0150	0.000	1	109.0150	0.000	1	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.1865	0.025	2	109.1865	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[5]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[5]O)(C[6]C[6]HH)(H)2{1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.0697	0.119	4	109.0697	0.014	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>}	H(C[6]C[6]2H)	109.1850	0.084	4	109.1850	0.007	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.5162	0.066	4	109.5162	0.004	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6]N)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>}	H(C[6]C[6]2H)	109.0750	0.030	2	109.0750	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	108.3755	0.056	2	108.3755	0.003	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(H)2{2|C<4>,4|C<3>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	109.3415	0.020	4	109.3415	0.000	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(H)2{1|C<4>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(H)2{1|C<4>,5|C<3>}	H(C[6]C[6]2H)	109.1929	0.222	7	109.1929	0.049	7	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]C[5])(C[6]C[6]HH)(H)2{1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{4|C<3>}	H(C[6]C[6]2H)	109.3710	0.007	2	109.3710	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2{1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.5500	0.120	8	109.5500	0.014	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.4175	0.035	2	109.4175	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<4>,4|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.4557	0.268	4	109.4557	0.072	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]B[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|B<3>,2|C<3>}	C[6](C[6]C[6,6a]B[5]2)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,4|O<2>}	H(C[6]C[6]2H)	109.9895	0.005	2	109.9895	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4408	0.144	4	109.5059	0.109	20	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5222	0.364	16	109.5059	0.109	20	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.2955	0.047	2	109.4117	1.214	23	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4228	1.155	21	109.4117	1.214	23	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]CN)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.9165	0.054	2	109.9165	0.003	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.8725	0.039	2	109.8725	0.002	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]C[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]C[5]O)(C[6]C[6]HH)(H)2{1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.9547	0.114	6	109.9547	0.013	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>}	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.8760	0.299	3	109.8760	0.089	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.6765	0.020	4	109.6765	0.000	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]C[6]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6590	0.000	1	109.6590	0.000	1	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.5410	0.013	2	108.5410	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]C[6a]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{4|C<3>}	C[6](C[6]C[6,6a]C[6a]C[5])(C[6]C[6]HH)(H)2{1|N<2>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.8280	0.007	2	109.8280	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.7225	0.009	2	109.7225	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.7372	2.026	5	109.4270	1.119	250	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.5373	2.257	4	109.4270	1.119	250	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6219	1.076	31	109.4270	1.119	250	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	110.8020	2.284	4	109.4270	1.119	250	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.7290	1.394	7	109.4270	1.119	250	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.6087	0.834	31	109.4270	1.119	250	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.0604	0.867	8	109.4270	1.119	250	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3561	0.949	160	109.4270	1.119	250	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5907	0.361	10	109.6522	0.049	35	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.6620	0.048	2	109.6522	0.049	35	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6780	0.139	23	109.6522	0.049	35	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	102.4768	4.647	2	108.9681	4.760	26	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.1699	0.781	8	108.9681	4.760	26	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6787	0.175	16	108.9681	4.760	26	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6]HH)(H)2{1|P<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.6432	0.070	4	109.6586	0.024	14	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.7143	0.095	9	109.6586	0.024	14	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<4>,2|C<3>}	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2180	0.000	1	109.6586	0.024	14	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.7413	0.136	4	109.7413	0.019	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|P<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4560	0.000	1	109.4560	0.000	1	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]N[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2491	1.187	12	109.2491	1.409	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<4>,4|C<3>}	H(C[6]C[6]2H)	109.2122	0.141	4	109.2122	0.020	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	109.6540	0.054	2	109.4590	0.051	35	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6]2H)	109.5167	0.179	9	109.4590	0.051	35	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	109.4211	0.241	24	109.4590	0.051	35	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6]2H)	109.5108	0.237	9	109.5108	0.056	9	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.6621	0.880	8	110.6580	27.228	26	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	123.4915	17.834	2	110.6580	27.228	26	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.5517	0.148	16	110.6580	27.228	26	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.5428	0.177	5	109.4818	0.021	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.4208	0.074	5	109.4818	0.021	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HS)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HS)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HS)(C[6]C[6]HH)(H)2{1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[6,6a]HS)(C[6]C[6]HH)(H)2{1|H<1>,1|S<2>,2|C<3>}	H(C[6]C[6]2H)	109.5846	0.094	10	109.5846	0.009	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6]HH)(H)2{1|P<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	109.4570	0.075	3	109.7133	0.061	13	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<4>,2|C<3>}	H(C[6]C[6]2H)	109.3300	0.000	1	109.7133	0.061	13	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	109.8413	0.169	9	109.7133	0.061	13	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	109.4715	0.045	4	109.4715	0.002	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	109.8960	0.011	2	109.8960	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6]2H)	108.8555	0.036	2	108.8555	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9412	0.059	4	108.8992	0.081	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.8150	0.612	2	108.8992	0.081	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3364	1.652	8	109.3364	2.730	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2163	0.124	3	109.2163	0.015	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0893	0.261	3	109.1348	0.069	17	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1577	0.466	4	109.1348	0.069	17	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1392	0.187	10	109.1348	0.069	17	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.8440	0.000	1	109.5250	0.076	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3655	0.009	2	109.5250	0.076	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5705	0.028	2	109.4487	0.922	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6485	0.528	2	109.4487	0.922	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2716	0.138	7	109.4487	0.922	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4260	0.038	2	109.4487	0.922	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3922	0.194	18	109.4487	0.922	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.8813	1.855	15	109.4487	0.922	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2360	0.016	2	109.4487	0.922	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.4735	1.672	2	109.4487	0.922	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4085	0.128	11	109.4487	0.922	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2609	0.128	24	109.4487	0.922	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0957	0.171	16	109.4487	0.922	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8390	0.000	1	109.4487	0.922	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6895	0.268	4	109.4487	0.922	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4382	0.104	6	109.4487	0.922	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4387	0.100	4	109.4487	0.922	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.9030	0.020	2	109.4487	0.922	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2716	0.091	8	109.4487	0.922	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0355	0.013	2	109.4487	0.922	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6642	0.677	11	109.4487	0.922	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.2712	0.079	6	109.4487	0.922	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3768	0.079	8	109.4487	0.922	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,2|O<2>,5|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.3168	3.644	6	109.4487	0.922	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1185	0.023	2	109.4487	0.922	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2276	0.182	19	109.4487	0.922	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1145	0.026	2	109.4487	0.922	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|O<1>,1|S<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4750	0.011	3	109.4487	0.922	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.3380	0.000	1	109.4487	0.922	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3186	1.553	25	109.4487	0.922	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|Pt<4>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0910	0.071	2	109.4487	0.922	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5260	0.132	12	109.4487	0.922	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2738	0.200	6	109.4487	0.922	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3045	0.039	2	109.4487	0.922	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3301	0.228	15	109.4487	0.922	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5115	0.040	2	109.3533	0.034	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|N<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1950	0.006	2	109.3533	0.034	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1826	0.314	5	109.8521	2.059	29	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.9916	1.540	24	109.8521	2.059	29	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2N)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2N)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8877	0.284	4	108.8877	0.081	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0634	0.074	9	109.0634	0.006	9	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2{1|C<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8060	0.589	4	109.1709	0.487	39	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<3>,2|H<1>}	H(C[6]C[6]2H)	109.0375	0.113	4	109.1709	0.487	39	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2{1|F<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7159	1.412	8	109.1709	0.487	39	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9804	0.102	7	109.1709	0.487	39	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1064	0.083	16	109.1709	0.487	39	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1497	0.091	11	109.1497	0.008	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2S)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2S)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9408	0.070	6	108.8599	0.019	9	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2S)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2S)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6980	0.069	3	108.8599	0.019	9	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]AlH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]AlH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Al<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2520	0.014	2	109.2520	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]AsH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]AsH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|As<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7039	0.146	10	109.7039	0.021	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]AuC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]AuC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Au<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8053	0.032	3	109.8053	0.001	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|B<4>,1|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.6495	0.026	2	109.1070	0.122	139	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|B<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7300	0.138	4	109.1070	0.122	139	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|B<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7875	0.083	4	109.1070	0.122	139	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|B<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1575	0.327	74	109.1070	0.122	139	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|B<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1063	0.370	55	109.1070	0.122	139	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]BrC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]BrC)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<2>,1|C<4>,2|H<1>}	C[6](C[6]C[6]BrC)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<2>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	112.4350	11.720	2	110.7937	30.506	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]BrC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]BrC)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]BrC)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.9730	1.538	4	110.7937	30.506	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8835	0.015	2	108.8835	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,1|N<2>,2|C<4>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9500	0.037	2	109.1218	0.040	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2935	0.013	2	109.1218	0.040	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7780	0.412	6	109.7780	0.170	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]2H)	109.2835	0.047	2	109.2835	0.002	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	110.0075	0.009	2	109.8575	0.030	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	109.7075	0.018	2	109.8575	0.030	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Br<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4448	0.459	6	109.2936	0.138	21	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Br<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3684	0.292	10	109.2936	0.138	21	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Br<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8133	0.140	3	109.2936	0.138	21	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Br<1>,1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2H)	109.1860	0.017	2	109.2936	0.138	21	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[3,6]C[6]O)(C[6]C[6]HH)(H)2{1|I<1>,2|C<3>,4|C<4>}	H(C[6]C[6]2H)	109.0913	0.070	3	109.1416	0.009	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[3,6]C[6]O)(C[6]C[6]HH)(H)2{3|C<4>,4|C<3>}	H(C[6]C[6]2H)	109.2170	0.085	2	109.1416	0.009	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	111.9395	6.410	2	111.9395	41.087	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.9845	0.556	4	108.9456	0.239	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.7900	0.000	1	108.9456	0.239	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.6310	0.000	1	109.1914	0.106	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6]2H)	109.3315	0.100	4	109.1914	0.106	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,5|C<4>}	H(C[6]C[6]2H)	109.2540	0.000	1	109.2540	0.000	1	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6]2H)	109.1873	0.933	6	109.1873	0.871	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6]2H)	109.1290	0.027	2	109.0623	0.006	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6]2H)	108.9955	0.006	2	109.0623	0.006	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	H(C[6]C[6]2H)	108.8005	0.022	4	108.8005	0.001	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6803	0.252	4	109.4391	1.779	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3185	1.649	8	109.4391	1.779	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.5005	0.016	2	108.9897	0.092	30	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	109.4065	0.018	2	108.9897	0.092	30	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	108.9995	0.028	2	108.9897	0.092	30	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.0070	0.058	4	108.9897	0.092	30	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.8377	0.091	3	108.9897	0.092	30	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5729	0.108	7	108.9897	0.092	30	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	109.0844	0.122	8	108.9897	0.092	30	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<2>,2|C<3>}	H(C[6]C[6]2H)	109.3260	0.010	2	108.9897	0.092	30	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	109.3555	0.012	2	109.3555	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|Cl<1>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.0532	0.132	4	109.0532	0.018	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|I<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.7475	0.019	2	108.7475	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.2435	0.021	2	108.9956	0.100	13	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.3625	0.016	2	108.9956	0.100	13	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.6608	0.209	5	108.9956	0.100	13	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.1770	0.024	2	108.9956	0.100	13	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	109.0365	0.040	2	108.9956	0.100	13	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|S<4>,2|C<4>}	H(C[6]C[6]2H)	109.2900	0.007	2	109.1580	0.147	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.6650	0.000	1	109.1580	0.147	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|S<4>,3|C<4>}	H(C[6]C[6]2H)	108.7725	0.025	2	109.1580	0.147	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	111.7290	5.909	2	109.9931	5.838	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.8315	0.110	4	109.9931	5.838	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	110.2867	1.393	4	109.9931	5.838	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	109.3087	0.154	3	109.3468	0.015	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	109.4040	0.051	2	109.3468	0.015	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	109.2997	0.346	6	109.2997	0.120	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Cl<1>,4|C<4>}	H(C[6]C[6]2H)	108.9670	0.021	2	108.9700	0.660	326	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.0238	0.105	4	108.9700	0.660	326	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	108.7014	0.103	7	108.9700	0.660	326	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.2887	2.041	4	108.9700	0.660	326	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.0205	0.062	2	108.9700	0.660	326	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	109.1340	0.033	2	108.9700	0.660	326	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0655	0.013	2	108.9700	0.660	326	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3225	0.009	2	108.9700	0.660	326	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.9540	0.048	2	108.9700	0.660	326	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0335	0.011	2	108.9700	0.660	326	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.4080	0.006	2	108.9700	0.660	326	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3478	2.537	6	108.9700	0.660	326	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.8860	1.096	2	108.9700	0.660	326	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9748	0.451	6	108.9700	0.660	326	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|C<3>}	H(C[6]C[6]2H)	108.9593	0.071	6	108.9700	0.660	326	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<3>}	H(C[6]C[6]2H)	110.1665	1.996	4	108.9700	0.660	326	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.7800	0.000	1	108.9700	0.660	326	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{5|C<4>}	H(C[6]C[6]2H)	108.9427	0.035	3	108.9700	0.660	326	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9992	0.152	11	108.9700	0.660	326	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<2>,2|H<1>}	H(C[6]C[6]2H)	109.4380	0.023	2	108.9700	0.660	326	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0773	0.168	20	108.9700	0.660	326	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.8880	0.809	157	108.9700	0.660	326	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.6545	0.006	2	108.9700	0.660	326	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.7846	0.501	19	108.9700	0.660	326	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	107.9485	0.013	2	108.9700	0.660	326	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.9035	0.016	2	108.9700	0.660	326	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	110.0272	2.073	4	108.9700	0.660	326	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.4341	0.921	16	108.9700	0.660	326	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.8490	0.378	4	108.9700	0.660	326	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.6190	0.033	2	108.9700	0.660	326	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9296	0.158	16	108.9700	0.660	326	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	108.9469	0.176	7	108.9700	0.660	326	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{5|C<4>}	H(C[6]C[6]2H)	108.8577	0.086	3	108.9700	0.660	326	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.9675	0.246	8	108.9675	0.061	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|S<4>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.1298	0.026	4	109.1831	0.009	7	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{3|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.2543	0.116	3	109.1831	0.009	7	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|F<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	110.1005	1.457	2	110.1005	2.124	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]FF)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2{1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]FF)(C[6]C[6]HH)(H)2{1|F<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1955	0.016	4	109.1955	0.000	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|F<1>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	110.5782	3.460	10	110.3851	9.998	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|F<1>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4195	0.028	2	110.3851	9.998	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|F<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.6610	2.841	2	110.6610	8.072	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|F<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9815	0.124	2	108.9815	0.015	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.6085	0.087	2	108.6085	0.008	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	109.2777	0.013	3	109.3582	0.106	38	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.3675	0.179	4	109.3582	0.106	38	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4961	0.308	12	109.3582	0.106	38	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	109.2225	0.089	4	109.3582	0.106	38	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|N<3>}	H(C[6]C[6]2H)	109.3430	0.818	3	109.3582	0.106	38	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.1567	0.060	6	109.3582	0.106	38	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.4162	0.405	6	109.3582	0.106	38	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<2>}	H(C[6]C[6]2H)	109.3995	0.021	2	109.1658	0.067	13	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.3323	0.058	3	109.1658	0.067	13	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|S<2>,2|C<4>}	H(C[6]C[6]2H)	109.2915	0.028	4	109.1658	0.067	13	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,1|S<2>,2|C<4>}	H(C[6]C[6]2H)	108.7985	0.018	4	109.1658	0.067	13	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.3030	0.025	2	109.3030	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.5000	0.045	2	109.3208	0.044	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.1415	0.052	2	109.3208	0.044	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2{1|Zr<13>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.2513	0.283	3	109.2513	0.080	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3655	0.311	4	109.6851	0.789	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.0048	1.213	4	109.6851	0.789	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1280	0.025	3	109.1372	0.001	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1650	0.000	1	109.1372	0.001	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.1345	0.005	2	109.1093	0.118	18	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.2200	0.000	1	109.1093	0.118	18	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|S<2>,1|S<3>,2|C<4>}	H(C[6]C[6]2H)	109.3994	0.200	7	109.1093	0.118	18	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	108.8353	0.285	8	109.1093	0.118	18	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.5005	0.012	2	109.5005	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6035	0.623	2	109.1362	0.091	18	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1578	0.349	4	109.1362	0.091	18	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0511	0.156	12	109.1362	0.091	18	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0299	0.149	12	109.0299	0.022	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2745	0.040	2	109.2745	0.002	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.4875	0.031	4	109.0441	0.210	30	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6084	0.124	8	109.0441	0.210	30	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4603	0.067	8	109.0441	0.210	30	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2740	0.000	1	109.0441	0.210	30	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2900	0.021	2	109.0441	0.210	30	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<2>,2|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1870	0.013	2	109.0441	0.210	30	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2360	0.000	1	109.0441	0.210	30	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.3397	0.054	4	109.0441	0.210	30	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Au<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3120	0.103	2	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	111.3053	1.289	4	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.7420	0.806	2	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.6605	0.240	2	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	110.8330	4.019	2	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3079	0.718	103	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<4>}	H(C[6]C[6]2H)	109.9742	0.835	6	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	107.5795	3.652	2	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.2668	0.660	9	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.7065	0.848	2	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1685	0.236	10	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2157	0.077	4	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2292	0.556	115	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.3155	0.457	2	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.3363	2.108	3	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1944	0.143	19	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.4034	0.129	7	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Fe<6>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0373	0.323	8	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3885	0.005	2	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1618	0.808	6	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.7480	1.151	2	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3552	1.153	9	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5113	1.069	4	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.4020	0.783	2	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2737	1.432	19	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7152	1.138	9	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7332	0.077	9	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1533	0.292	45	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1562	0.133	4	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2314	1.061	343	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0450	0.014	2	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|P<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0542	0.051	4	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|P<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9886	0.240	58	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Pt<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4230	0.031	2	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Sn<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2270	0.027	2	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Sn<5>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7218	0.272	6	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|W<7>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|W<7>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1517	0.235	3	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Au<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1405	0.066	2	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4176	0.457	120	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1258	0.111	18	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Fe<6>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5354	0.247	8	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	109.2285	0.046	2	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.9530	1.240	19	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	108.8594	1.434	8	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1836	0.176	45	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2788	0.876	348	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|P<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1833	0.033	4	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|P<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2643	0.168	61	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Pt<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2690	0.018	2	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Sn<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1710	0.000	1	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Sn<5>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.4790	0.368	6	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1893	0.590	48	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2513	0.078	20	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4480	0.016	2	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0866	0.205	19	109.2606	0.658	1566	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.0340	1.617	16	108.0340	2.616	16	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9633	0.637	4	109.2501	0.129	57	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3605	0.035	2	109.2501	0.129	57	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.2283	0.052	4	109.2501	0.129	57	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|F<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3298	0.089	6	109.2501	0.129	57	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4627	0.060	4	109.2501	0.129	57	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4952	0.131	6	109.2501	0.129	57	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,2|H<1>}	H(C[6]C[6]2H)	109.0793	0.365	11	109.2501	0.129	57	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2940	0.000	1	109.2501	0.129	57	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|P<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4402	0.137	4	109.2501	0.129	57	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2389	0.526	11	109.2501	0.129	57	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1035	0.282	4	109.2501	0.129	57	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CS)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CS)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4375	0.005	2	109.4375	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|H<1>,3|C<4>}	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7715	0.030	2	109.1737	0.094	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2080	0.184	4	109.1737	0.094	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5075	0.035	2	109.1737	0.094	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]FF)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]FF)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2247	0.132	7	109.2247	0.017	7	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3615	1.061	16	109.3387	0.417	53	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<2>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2715	0.287	4	109.3387	0.417	53	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1994	0.162	24	109.3387	0.417	53	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8729	0.475	7	109.3387	0.417	53	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|N<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0940	0.004	2	109.3387	0.417	53	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.6235	0.019	2	109.1311	1.009	83	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1725	0.006	2	109.1311	1.009	83	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.1135	0.013	2	109.1311	1.009	83	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|F<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0330	0.008	2	109.1311	1.009	83	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0583	1.022	71	109.1311	1.009	83	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	111.2005	0.426	2	109.1311	1.009	83	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.2290	0.014	2	109.1311	1.009	83	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2720	0.081	12	109.2720	0.006	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.1275	0.032	2	109.4624	0.050	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.6590	0.004	2	109.4624	0.050	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5310	0.209	4	109.4624	0.050	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]2H)	109.4635	0.028	2	109.4624	0.050	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	108.8380	0.042	2	109.4428	0.252	54	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2655	0.036	2	109.4428	0.252	54	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	108.9345	0.033	2	109.4428	0.252	54	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.3820	2.659	2	109.4428	0.252	54	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.9870	0.014	2	109.4428	0.252	54	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	108.9825	0.056	2	109.4428	0.252	54	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,1|S<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.4385	0.026	2	109.4428	0.252	54	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.4135	0.015	2	109.4428	0.252	54	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4822	0.047	4	109.4428	0.252	54	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3885	0.011	2	109.4428	0.252	54	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7223	0.263	11	109.4428	0.252	54	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4144	0.361	19	109.4428	0.252	54	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4520	0.023	2	109.4428	0.252	54	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.6693	0.159	6	109.7099	0.027	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	109.7708	0.180	4	109.7099	0.027	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.1285	0.023	2	109.4192	0.042	19	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	109.2650	0.201	5	109.4192	0.042	19	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.5318	0.120	12	109.4192	0.042	19	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.5222	0.847	4	109.3377	0.328	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	109.4520	0.016	2	109.3377	0.328	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	109.3200	0.448	2	109.3377	0.328	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	108.8720	0.007	2	109.3377	0.328	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]S[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]S[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	108.7060	0.000	1	108.7060	0.000	1	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5310	0.017	2	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6010	0.779	9	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.9027	0.452	3	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1375	0.142	6	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9379	0.499	18	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2095	0.015	2	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3684	0.529	119	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0970	0.190	2	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.0903	0.627	7	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.3425	0.018	2	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7750	1.318	2	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9270	0.213	4	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1492	0.305	21	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.4865	0.114	4	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.2133	0.072	4	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0718	0.070	16	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2715	2.389	21	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.2325	1.153	4	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2H)	109.6082	0.086	4	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.4142	0.141	10	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.8871	2.100	22	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0770	0.062	2	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.6357	1.264	3	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.0850	0.069	2	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.2215	0.026	2	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.8875	0.015	2	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2378	0.344	42	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1385	0.423	26	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2347	0.447	3	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1461	0.179	52	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.7765	0.022	2	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2510	0.411	8	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|S<2>,2|C<3>}	H(C[6]C[6]2H)	109.3425	0.054	2	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.5127	0.716	4	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.7715	0.009	2	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.1295	0.006	2	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.4293	0.028	7	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	109.2180	2.985	2	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8683	0.225	4	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3858	0.235	4	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4573	0.055	8	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Cl<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2380	3.975	2	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.7170	0.000	1	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7594	1.421	13	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1721	0.323	35	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2395	0.315	12	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3960	0.010	2	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1850	0.004	2	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<3>,3|H<1>}	H(C[6]C[6]2H)	114.6315	1.527	2	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4823	0.030	3	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.4997	2.983	10	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.4755	0.098	6	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	109.5590	0.000	1	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4373	1.303	299	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1823	0.280	17	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3447	0.084	3	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5217	0.110	6	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2064	0.641	877	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1000	0.418	6	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0665	0.207	2	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Co<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6215	0.028	2	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Ir<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9277	0.087	3	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Ir<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.7958	0.318	11	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Ir<5>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2281	0.152	12	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Ni<5>,1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.5750	0.000	1	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7575	1.706	6	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2276	0.147	7	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Pd<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1225	0.254	10	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Pt<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3418	0.102	4	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Ru<5>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7433	0.030	3	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8775	0.035	2	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|W<10>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8630	0.000	1	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.9575	1.244	6	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.0567	0.078	3	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.2240	0.000	1	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2148	0.315	21	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3890	0.049	2	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4547	0.424	7	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2107	0.421	6	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9533	0.457	17	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.9292	0.037	4	109.2682	0.765	1889	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[3]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2907	0.031	3	109.2907	0.001	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0624	0.201	16	109.0659	0.034	19	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0847	0.019	3	109.0659	0.034	19	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9016	0.484	29	108.9016	0.234	29	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]S)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]C[6a]C[6]S)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2047	0.107	7	109.2047	0.011	7	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.6208	0.060	4	109.3301	0.109	15	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.6310	0.035	2	109.3301	0.109	15	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	109.1334	0.329	7	109.3301	0.109	15	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1365	0.050	2	109.3301	0.109	15	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.8430	0.017	2	109.8430	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,3|H<1>}	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.5320	0.024	2	108.5320	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,1|N<2>,2|C<4>}	H(C[6]C[6]2H)	108.8865	0.025	2	108.9243	0.002	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	108.9620	0.030	2	108.9243	0.002	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3454	1.319	16	109.3454	1.740	16	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	109.3385	0.068	4	109.3385	0.005	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	110.7251	3.098	12	110.7251	9.597	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	109.3260	0.052	3	109.3260	0.003	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|N<3>,2|C<4>}	H(C[6]C[6]2H)	109.4270	0.000	1	109.4270	0.000	1	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	109.2640	2.659	2	109.2293	1.163	156	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1803	0.133	7	109.2293	1.163	156	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2H)	109.2602	0.031	4	109.2293	1.163	156	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	109.7530	0.013	2	109.2293	1.163	156	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,1|I<1>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9770	0.010	2	109.2293	1.163	156	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.9745	0.015	2	109.2293	1.163	156	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1440	0.061	2	109.2293	1.163	156	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	109.1417	0.088	6	109.2293	1.163	156	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8685	0.035	4	109.2293	1.163	156	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.3851	0.446	17	109.2293	1.163	156	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.2608	0.103	9	109.2293	1.163	156	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	109.4300	0.053	4	109.2293	1.163	156	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.1865	0.572	50	109.2293	1.163	156	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	108.8288	2.625	17	109.2293	1.163	156	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|C<5>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	109.0323	0.021	3	109.2293	1.163	156	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	109.6465	0.019	2	109.2293	1.163	156	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.2584	1.559	11	109.2293	1.163	156	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9255	0.330	8	109.2293	1.163	156	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.8145	0.134	4	109.2293	1.163	156	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.2605	0.013	2	109.2605	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(H)2{2|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.3595	0.030	2	109.3595	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.2025	0.149	6	109.2025	0.022	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.3460	0.014	2	109.3460	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8375	0.085	4	109.1570	0.331	57	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.0433	0.031	4	109.1570	0.331	57	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1826	0.131	5	109.1570	0.331	57	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9664	0.202	12	109.1570	0.331	57	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.8885	0.026	2	109.1570	0.331	57	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1900	0.000	1	109.1570	0.331	57	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|F<1>}	H(C[6]C[6]2H)	108.9060	0.061	6	109.1570	0.331	57	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|P<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8255	0.026	4	109.1570	0.331	57	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	110.7390	1.151	4	109.1570	0.331	57	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2211	0.443	11	109.1570	0.331	57	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.2055	0.195	4	109.1570	0.331	57	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8635	0.047	4	108.8635	0.002	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.6188	0.808	88	109.5145	0.617	110	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	108.9961	0.102	8	109.5145	0.617	110	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1556	0.650	14	109.5145	0.617	110	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.1575	0.119	6	109.1575	0.014	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|I<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.1950	0.058	2	109.1950	0.003	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	113.2600	5.288	2	109.7461	4.415	14	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1604	0.238	12	109.7461	4.415	14	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	110.0006	0.648	8	109.3226	0.751	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1729	0.583	19	109.3226	0.751	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.5780	2.768	2	109.3226	0.751	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7775	0.037	2	109.3226	0.751	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.1350	0.065	2	109.1350	0.004	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<2>,1|C<4>,1|O<2>,1|S<4>}	H(C[6]C[6]2H)	109.3830	0.008	2	109.3830	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2{1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.4090	0.017	2	109.4090	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.2178	0.113	6	109.1698	1.217	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	107.8167	2.036	4	109.1698	1.217	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	110.4930	0.317	2	109.1698	1.217	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.1430	0.017	2	109.1698	1.217	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9935	0.019	2	109.1698	1.217	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.2952	0.327	4	109.1698	1.217	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.3375	0.006	2	109.1698	1.217	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0012	0.092	4	109.1698	1.217	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.8570	0.034	4	109.1698	1.217	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9800	0.000	1	109.1698	1.217	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.9704	0.096	5	109.1698	1.217	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.8534	0.063	5	109.1698	1.217	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	108.7980	0.020	2	109.1698	1.217	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1200	0.000	1	109.1698	1.217	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	112.2165	1.739	2	109.1698	1.217	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.8975	3.092	2	109.1698	1.217	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.1145	0.037	2	109.1698	1.217	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.1559	0.226	12	109.1698	1.217	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.1964	0.135	25	109.1698	1.217	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<3>,2|H<1>}	H(C[6]C[6]2H)	109.1506	0.124	19	109.1698	1.217	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.4365	0.022	2	109.1698	1.217	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.1680	0.011	2	109.1698	1.217	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2531	1.182	124	109.1698	1.217	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1720	0.070	4	109.1698	1.217	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.2265	0.025	2	109.1698	1.217	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.1157	0.123	6	109.1698	1.217	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	107.4958	2.391	4	109.1698	1.217	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.4673	0.740	18	109.1698	1.217	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.6845	3.682	4	109.1698	1.217	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.3683	0.051	3	109.1698	1.217	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CP)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CP)(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<1>,1|P<4>,2|C<4>}	H(C[6]C[6]2H)	109.1750	0.021	2	109.0769	0.034	22	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CP)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CP)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|P<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0671	0.192	20	109.0769	0.034	22	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CS)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7010	0.000	1	108.7010	0.000	1	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CS)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|S<2>,2|C<3>}	H(C[6]C[6]2H)	109.0920	0.069	2	109.2308	0.013	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CS)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3003	0.033	4	109.2308	0.013	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2560	0.020	2	109.2560	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Cl<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9772	0.063	4	108.9271	0.011	7	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Cl<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7860	0.025	2	108.9271	0.011	7	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0090	0.000	1	108.9271	0.011	7	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Cl<1>,1|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.9420	0.004	2	108.9420	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Cl<1>,4|C<4>}	H(C[6]C[6]2H)	108.5685	0.100	2	108.6868	0.022	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Cl<1>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.8050	0.037	2	108.6868	0.022	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|Cl<1>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.4020	0.157	4	109.4020	0.025	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|Cl<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8868	0.177	6	109.8868	0.031	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|Cl<1>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	109.4750	0.033	2	109.3790	0.013	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|Cl<1>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	109.2830	0.020	2	109.3790	0.013	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Cl<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3675	0.005	2	110.2211	4.635	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Cl<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	113.5460	1.632	2	110.2211	4.635	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Cl<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9855	0.187	4	110.2211	4.635	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CoH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CoH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Co<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2240	0.160	3	109.2398	0.013	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CoH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CoH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Co<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2635	0.022	2	109.2398	0.013	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CrH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Cr<6>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.2024	1.380	8	109.8914	1.424	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CrH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Cr<8>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2695	0.080	4	109.8914	1.424	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CrN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CrN)(C[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Cr<6>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	111.0198	0.888	8	111.0198	0.789	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CuH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CuH)(C[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Cu<5>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2433	0.323	3	109.2433	0.105	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]FF)(C[6]C[6]HH)(H)2{1|F<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2{1|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]2H)	109.5010	0.104	4	109.5010	0.011	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]FF)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]2H)	109.4138	0.080	6	109.4138	0.006	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]FF)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]2H)	109.5675	0.039	2	109.5675	0.002	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]FF)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]2H)	109.9787	1.794	12	109.9787	3.219	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6]2H)	109.4604	0.202	8	109.4604	0.041	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|F<1>,2|H<1>}	H(C[6]C[6]2H)	109.2800	0.011	2	109.2637	0.003	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|F<1>,2|H<1>}	H(C[6]C[6]2H)	109.3185	0.009	2	109.2637	0.003	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6]2H)	109.1925	0.019	2	109.2637	0.003	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6]2H)	109.6607	0.123	4	109.9021	2.222	30	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|F<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	110.4620	1.294	4	109.9021	2.222	30	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6]2H)	109.5760	0.016	2	109.9021	2.222	30	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|F<1>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.5599	1.500	18	109.9021	2.222	30	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6]2H)	112.6710	1.407	2	109.9021	2.222	30	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|F<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.5490	0.007	2	109.5490	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FP)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]FP)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|F<1>,1|P<4>,2|H<1>}	H(C[6]C[6]2H)	108.9445	0.282	4	108.9445	0.080	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FeC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]FeC)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	109.2270	0.007	2	109.2270	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]FeC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]FeC)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3660	0.028	2	109.3660	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5656	0.080	7	109.5353	0.013	14	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.5050	0.142	7	109.5353	0.013	14	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]FeO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]FeO)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3442	0.111	10	109.3577	0.011	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]FeO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(H)2{1|C<4>,2|O<2>}	C[6](C[6]C[6]FeO)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4250	0.044	2	109.3577	0.011	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FeO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]FeO)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.8743	0.106	9	109.8676	0.009	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FeO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]FeO)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(H)2{1|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.8375	0.018	2	109.8676	0.009	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]GeH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]GeH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]GeH)(C[6]C[6]HH)(H)2{1|Ge<2>,1|C<3>,2|H<1>}	C[6](C[6]C[6]GeH)(C[6]C[6]HH)(H)2{1|Ge<2>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9645	0.053	4	108.9645	0.003	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]GeH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]GeH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Ge<2>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1163	0.074	3	109.1163	0.006	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|I<1>,1|O<1>}	H(C[6]C[6]2H)	109.0965	0.018	2	109.0965	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|I<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7895	0.022	2	109.7895	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|I<1>,3|H<1>}	H(C[6]C[6]2H)	109.8068	0.168	4	109.8068	0.028	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|I<1>,3|H<1>}	H(C[6]C[6]2H)	109.5360	0.093	4	109.4405	0.056	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|I<1>,2|C<3>}	H(C[6]C[6]2H)	109.6040	0.011	2	109.4405	0.056	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|I<1>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.1393	0.077	4	109.4405	0.056	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|I<1>,3|H<1>}	H(C[6]C[6]2H)	109.6885	0.006	2	109.4405	0.056	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	109.8515	0.053	2	109.8515	0.003	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.4292	0.130	4	109.4292	0.017	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	110.0598	0.360	4	110.0598	0.130	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<2>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.4460	0.072	4	109.5713	0.527	52	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.3922	0.363	25	109.5713	0.527	52	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|N<3>}	H(C[6]C[6]2H)	109.9130	0.000	1	109.5713	0.527	52	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.8804	1.277	14	109.5713	0.527	52	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.6103	0.142	8	109.5713	0.527	52	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	114.9805	0.436	2	110.1904	4.547	13	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3195	0.119	11	110.1904	4.547	13	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5680	0.172	8	109.5680	0.030	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|I<1>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4227	0.052	3	109.4227	0.003	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	109.3396	0.601	50	109.5511	0.667	266	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4049	0.325	79	109.5511	0.667	266	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.4915	2.001	11	109.5511	0.667	266	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	110.5646	1.646	11	109.5511	0.667	266	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.6522	0.769	115	109.5511	0.667	266	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.1717	0.217	3	109.7913	0.717	43	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	110.0666	1.161	15	109.7913	0.717	43	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5651	0.751	11	109.7913	0.717	43	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.8424	0.481	12	109.7913	0.717	43	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<4>,1|O<2>}	H(C[6]C[6]2H)	109.5925	0.012	2	109.7913	0.717	43	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.2130	0.000	1	109.6829	0.095	24	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	109.9045	0.029	2	109.6829	0.095	24	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.8090	0.000	1	109.6829	0.095	24	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	109.5559	0.172	12	109.6829	0.095	24	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<4>}	H(C[6]C[6]2H)	109.2745	0.040	2	109.6829	0.095	24	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	110.0565	0.180	6	109.6829	0.095	24	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	110.0500	0.000	1	109.9177	0.013	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	109.8515	0.013	2	109.9177	0.013	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2H)	109.3765	0.047	2	109.6010	0.040	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	109.6100	0.047	2	109.6010	0.040	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2H)	109.8165	0.029	2	109.6010	0.040	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	109.3190	0.023	2	109.3190	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|Br<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.3363	1.213	8	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.1435	0.037	4	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4933	0.083	4	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.4497	0.210	3	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<2>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.6746	0.292	8	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.8640	0.023	2	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4066	0.100	7	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.5740	0.065	2	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.2886	0.373	43	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.5755	0.035	4	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1905	1.713	2	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	110.1448	3.434	4	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	109.3330	0.066	2	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.7881	0.308	10	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.7512	0.026	4	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.3055	7.066	2	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|I<1>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.6295	0.062	2	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	110.2695	0.081	2	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.1720	0.017	2	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	109.3585	0.847	523	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4250	1.639	21	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.3740	0.008	2	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	109.4189	0.870	35	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5794	0.841	955	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.6726	0.673	71	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	109.4035	0.023	2	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5142	0.668	82	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.3407	0.540	830	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	108.5280	0.962	2	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|F<1>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	110.3516	1.592	18	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|I<1>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.6165	0.107	4	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	110.0792	0.914	12	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3295	0.564	28	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.7136	0.034	5	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.6450	0.056	4	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.0072	0.512	6	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.2993	0.047	4	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|S<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	109.5125	0.012	2	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	108.8805	0.012	2	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.4135	0.022	2	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	109.6085	0.023	2	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	109.3179	0.376	541	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	112.1698	7.603	4	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4563	0.584	3625	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.5770	0.517	1139	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|H<1>,2|N<2>}	H(C[6]C[6]2H)	109.5105	0.057	2	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.4482	0.236	24	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.2630	0.006	2	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5640	0.000	1	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|F<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	111.5590	0.368	2	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	109.0215	0.067	2	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3212	0.232	4	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	110.0055	0.018	2	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.3852	0.094	9	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4350	0.000	1	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.1389	0.191	28	109.4654	0.436	8113	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.4130	0.051	2	109.4130	0.003	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.2505	0.022	2	109.4851	0.092	9	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.8850	0.038	2	109.4851	0.092	9	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.7095	0.012	2	109.4851	0.092	9	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.2253	0.041	3	109.4851	0.092	9	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5]O[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[5]O[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	110.0270	0.000	1	110.0270	0.000	1	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2H)	110.1030	0.000	1	110.1030	0.000	1	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5]O[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5]O[6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	112.7660	1.710	2	112.7660	2.923	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2H)	108.9640	0.021	2	108.9640	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.4610	0.023	2	109.3156	0.059	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.5460	0.000	1	109.3156	0.059	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.0550	0.052	2	109.3156	0.059	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.1825	0.008	2	109.1825	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.9020	0.000	1	109.4960	0.071	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.2734	0.156	5	109.4960	0.071	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.7045	0.011	2	109.4960	0.071	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4745	0.036	2	109.4960	0.071	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.8290	0.000	1	109.4960	0.071	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.5485	0.028	2	109.6146	0.757	83	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.6090	0.008	2	109.6146	0.757	83	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	111.1155	1.289	2	109.6146	0.757	83	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.0660	0.017	2	109.6146	0.757	83	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0855	0.018	2	109.6146	0.757	83	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|F<1>}	H(C[6]C[6]2H)	109.7290	0.017	2	109.6146	0.757	83	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.6015	0.884	71	109.6146	0.757	83	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.1647	4.249	12	109.1647	18.050	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.9656	1.097	8	109.7592	1.012	32	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.5845	0.527	20	109.7592	1.012	32	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2770	0.013	2	109.7592	1.012	32	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	111.1630	3.507	2	109.7592	1.012	32	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<4>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.2670	0.010	2	109.8935	1.200	44	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.7917	1.675	4	109.8935	1.200	44	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	110.1118	1.493	16	109.8935	1.200	44	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.7624	0.698	12	109.8935	1.200	44	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.8674	0.536	10	109.8935	1.200	44	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.5995	0.011	2	109.4801	0.795	99	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.3555	0.016	2	109.4801	0.795	99	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.5355	0.016	2	109.4801	0.795	99	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.1098	1.025	12	109.4801	0.795	99	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.6089	1.070	29	109.4801	0.795	99	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.5812	1.566	12	109.4801	0.795	99	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9740	0.055	2	109.4801	0.795	99	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Se<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.5075	0.005	2	109.4801	0.795	99	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.3010	0.000	1	109.4801	0.795	99	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7310	0.182	16	109.4801	0.795	99	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.2940	0.020	2	109.4801	0.795	99	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.2949	0.404	15	109.4801	0.795	99	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Se<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.3160	0.042	2	109.4801	0.795	99	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	H(C[6]C[6]2H)	109.5510	0.000	1	109.5085	0.110	21	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	110.1930	0.041	2	109.5085	0.110	21	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	H(C[6]C[6]2H)	109.7950	0.007	2	109.5085	0.110	21	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.1735	0.013	2	109.5085	0.110	21	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	H(C[6]C[6]2H)	109.4535	0.238	6	109.5085	0.110	21	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.7370	0.004	2	109.5085	0.110	21	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.1770	0.024	2	109.5085	0.110	21	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.3140	0.186	4	109.5085	0.110	21	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.5753	0.293	3	109.9745	1.215	23	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	H(C[6]C[6]2H)	110.3445	0.763	2	109.9745	1.215	23	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	110.1180	0.462	2	109.9745	1.215	23	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.7805	0.019	2	109.9745	1.215	23	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.2990	0.004	2	109.9745	1.215	23	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.6385	0.029	2	109.9745	1.215	23	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.3095	0.015	2	109.9745	1.215	23	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.9670	0.011	2	109.9745	1.215	23	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,1|S<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.8330	0.023	2	109.9745	1.215	23	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	H(C[6]C[6]2H)	112.2840	3.476	2	109.9745	1.215	23	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.7700	0.037	2	109.9745	1.215	23	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.9890	0.000	1	109.9890	0.000	1	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.5353	0.161	3	109.5458	0.031	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.7495	0.022	2	109.5458	0.031	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.4832	0.174	6	109.5458	0.031	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.6162	0.181	19	109.7705	0.546	25	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	110.2590	1.457	6	109.7705	0.546	25	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]S[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]S[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.1080	0.065	2	109.1080	0.004	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.5706	0.105	12	109.4741	0.588	775	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.0382	0.113	6	109.4741	0.588	775	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.3773	0.152	7	109.4741	0.588	775	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.9771	1.964	10	109.4741	0.588	775	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.3037	0.254	31	109.4741	0.588	775	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4553	0.196	3	109.4741	0.588	775	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.6610	0.000	1	109.4741	0.588	775	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	114.0090	0.832	2	109.4741	0.588	775	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.9345	0.018	2	109.4741	0.588	775	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|F<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	111.0102	2.139	4	109.4741	0.588	775	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.2987	0.443	53	109.4741	0.588	775	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.6577	0.150	4	109.4741	0.588	775	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<3>,3|H<1>}	H(C[6]C[6]2H)	109.9350	0.088	4	109.4741	0.588	775	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.5327	0.013	3	109.4741	0.588	775	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|N<4>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.3117	0.026	3	109.4741	0.588	775	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.1055	0.052	2	109.4741	0.588	775	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.9337	0.905	12	109.4741	0.588	775	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4583	1.020	242	109.4741	0.588	775	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Cl<1>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.5340	0.006	2	109.4741	0.588	775	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.7815	0.054	2	109.4741	0.588	775	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4018	0.833	16	109.4741	0.588	775	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<3>,3|H<1>}	H(C[6]C[6]2H)	109.2726	0.240	7	109.4741	0.588	775	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	110.9765	4.386	2	109.4741	0.588	775	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4844	0.214	7	109.4741	0.588	775	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|S<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.1760	0.000	1	109.4741	0.588	775	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|S<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.1200	0.033	2	109.4741	0.588	775	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.5284	0.219	184	109.4741	0.588	775	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<3>,3|H<1>}	H(C[6]C[6]2H)	109.6364	0.144	33	109.4741	0.588	775	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<4>,3|H<1>}	H(C[6]C[6]2H)	109.3229	0.232	10	109.4741	0.588	775	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.5330	0.172	22	109.4741	0.588	775	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5254	0.195	7	109.4741	0.588	775	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2857	0.037	3	109.4741	0.588	775	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Ir<5>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.3584	0.177	7	109.4741	0.588	775	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.2370	0.058	4	109.4741	0.588	775	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.5000	0.017	2	109.4741	0.588	775	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Se<2>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.8625	0.042	2	109.4741	0.588	775	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.5073	0.092	6	109.4741	0.588	775	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.5580	0.000	1	109.4741	0.588	775	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.3585	0.018	2	109.4741	0.588	775	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.2988	0.673	46	109.4741	0.588	775	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4710	0.144	6	109.4741	0.588	775	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3342	0.121	4	109.3182	0.009	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2860	0.011	2	109.3182	0.009	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|F<1>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2680	0.057	4	109.4005	0.012	17	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4585	0.015	4	109.4005	0.012	17	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3945	0.045	4	109.4005	0.012	17	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|S<3>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3290	0.007	2	109.4005	0.012	17	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6]2H)	109.5557	0.043	3	109.4005	0.012	17	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.3376	0.228	7	109.3376	0.052	7	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6a]C[6]S)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6a]C[6]S)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3170	0.039	4	109.3170	0.002	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.8180	0.088	2	109.6697	0.032	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.5215	0.021	2	109.6697	0.032	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]N[6a]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]N[6a]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.5760	0.042	5	109.5760	0.002	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|B<4>,4|H<1>}	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|P<4>,2|C<3>}	H(C[6]C[6]2H)	109.6060	0.017	2	109.6060	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<3>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	109.5670	0.000	1	109.5670	0.000	1	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|O<2>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|P<4>}	H(C[6]C[6]2H)	109.8615	0.008	2	109.8615	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<2>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|P<4>}	H(C[6]C[6]2H)	109.5975	0.169	4	109.4383	0.277	10266	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[6]C[6]2H)	110.0633	2.172	3	109.4383	0.277	10266	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	109.0172	0.382	5	109.4383	0.277	10266	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	114.3680	14.165	2	109.4383	0.277	10266	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	109.5765	4.409	2	109.4383	0.277	10266	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	109.1190	0.045	4	109.4383	0.277	10266	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	111.3111	3.530	8	109.4383	0.277	10266	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<2>,3|H<1>}	H(C[6]C[6]2H)	109.1946	0.152	13	109.4383	0.277	10266	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<3>,3|H<1>}	H(C[6]C[6]2H)	109.3238	0.378	669	109.4383	0.277	10266	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	109.4436	0.496	9358	109.4383	0.277	10266	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<5>,3|H<1>}	H(C[6]C[6]2H)	109.4338	0.274	192	109.4383	0.277	10266	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|H<1>,2|P<4>}	H(C[6]C[6]2H)	110.9073	2.126	4	109.4383	0.277	10266	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|Ru<10>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	110.0580	0.059	2	109.4383	0.277	10266	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|Ru<6>,1|C<4>,3|H<1>}	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[6]C[6]2H)	108.8060	0.000	1	108.9922	0.014	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|Ru<8>,1|C<4>,3|H<1>}	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[6]C[6]2H)	109.0387	0.069	4	108.9922	0.014	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<3>,2|C<4>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[6]2H)	109.6580	0.010	2	109.6580	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]FF)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]FF)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[6]2H)	109.8185	0.315	2	109.8185	0.099	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]2H)	109.5460	0.011	2	109.5452	0.000	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	109.5445	0.012	2	109.5452	0.000	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]2H)	109.2030	0.017	2	109.2030	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|S<2>}	H(C[6]C[6]2H)	109.5730	0.082	2	109.3692	0.418	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|S<2>}	H(C[6]C[6]2H)	109.3170	0.031	2	109.3692	0.418	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]2H)	110.1100	0.016	2	109.3692	0.418	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|Se<2>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]2H)	108.4770	0.373	2	109.3692	0.418	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	110.6750	0.561	2	109.6297	0.536	237	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	109.0270	0.041	2	109.6297	0.536	237	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	109.5880	0.004	2	109.6297	0.536	237	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	109.1765	0.057	2	109.6297	0.536	237	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	109.5170	1.707	8	109.6297	0.536	237	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[6]2H)	108.8285	0.056	2	109.6297	0.536	237	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	109.4070	0.036	4	109.6297	0.536	237	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|S<3>,3|H<1>}	H(C[6]C[6]2H)	109.3105	0.015	2	109.6297	0.536	237	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	109.3863	0.247	7	109.6297	0.536	237	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<3>,3|H<1>}	H(C[6]C[6]2H)	109.5330	0.000	1	109.6297	0.536	237	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[6]2H)	109.5530	0.000	1	109.6297	0.536	237	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|S<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<3>,3|H<1>}	H(C[6]C[6]2H)	109.8342	1.138	36	109.6297	0.536	237	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	109.4552	0.296	31	109.6297	0.536	237	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<3>,3|H<1>}	H(C[6]C[6]2H)	109.5873	0.680	88	109.6297	0.536	237	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[6]2H)	109.7421	0.203	47	109.6297	0.536	237	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	110.8835	1.831	2	109.6297	0.536	237	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HW)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HW)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|W<7>,3|H<1>}	H(C[6]C[6]2H)	108.7440	0.177	3	109.0348	0.174	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HW)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HW)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|W<10>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4710	0.016	2	109.0348	0.174	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]II)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]II)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|I<1>}	H(C[6]C[6]2H)	109.5790	0.017	2	109.5790	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]NN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]NN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.3035	0.162	4	109.3035	0.026	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]NO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]NO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.3997	0.013	3	109.3997	0.000	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.5635	0.016	2	109.5635	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.2555	0.129	11	109.2555	0.017	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.9160	1.183	4	109.9160	1.401	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.2040	0.008	2	109.3427	0.098	44	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	108.9525	0.009	2	109.3427	0.098	44	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.3691	0.313	40	109.3427	0.098	44	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]SS)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]SS)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|S<2>}	H(C[6]C[6]2H)	109.5873	0.054	10	109.5873	0.003	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]SS)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]SS)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|H<1>,2|S<2>}	H(C[6]C[6]2H)	109.1335	0.036	4	109.1335	0.001	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Al<2>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|C<4>}	H(C[6]C[6]2H)	108.7900	0.127	7	109.0221	2.662	934	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Al<4>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|C<4>}	H(C[6]C[6]2H)	108.7960	0.163	4	109.0221	2.662	934	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Al<4>,1|Li<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|C<4>}	H(C[6]C[6]2H)	108.7849	0.346	8	109.0221	2.662	934	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Al<4>,1|Li<4>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|C<4>}	H(C[6]C[6]2H)	108.8552	0.214	29	109.0221	2.662	934	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|B<2>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|C<4>}	H(C[6]C[6]2H)	108.9041	0.084	7	109.0221	2.662	934	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|B<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|C<4>}	H(C[6]C[6]2H)	108.7369	0.276	14	109.0221	2.662	934	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|B<4>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|C<4>}	H(C[6]C[6]2H)	108.6393	0.037	4	109.0221	2.662	934	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<2>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|C<4>}	H(C[6]C[6]2H)	108.6736	0.137	7	109.0221	2.662	934	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	109.1328	0.186	6	109.0221	2.662	934	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.8682	0.066	4	109.0221	2.662	934	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|C<4>}	H(C[6]C[6]2H)	108.6984	0.256	47	109.0221	2.662	934	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|C<4>}	H(C[6]C[6]2H)	108.7406	0.106	51	109.0221	2.662	934	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<2>,2|C<4>}	H(C[6]C[6]2H)	109.7410	1.241	4	109.0221	2.662	934	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	124.2230	15.625	4	109.0221	2.662	934	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|C<4>}	H(C[6]C[6]2H)	108.7405	0.170	44	109.0221	2.662	934	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|C<4>}	H(C[6]C[6]2H)	108.9867	1.360	278	109.0221	2.662	934	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|C<4>}	H(C[6]C[6]2H)	109.1994	1.080	61	109.0221	2.662	934	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,1|P<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|C<4>}	H(C[6]C[6]2H)	108.7982	0.104	23	109.0221	2.662	934	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,1|P<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|C<4>}	H(C[6]C[6]2H)	109.0494	1.552	19	109.0221	2.662	934	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|C<4>}	H(C[6]C[6]2H)	108.9195	0.226	4	109.0221	2.662	934	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|C<4>}	H(C[6]C[6]2H)	108.9079	0.939	54	109.0221	2.662	934	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Cd<2>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|C<4>}	H(C[6]C[6]2H)	109.0706	0.071	5	109.0221	2.662	934	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Cu<2>,1|Li<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|C<4>}	H(C[6]C[6]2H)	108.9897	0.077	29	109.0221	2.662	934	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Cu<2>,1|Li<7>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|C<4>}	H(C[6]C[6]2H)	109.0487	0.029	3	109.0221	2.662	934	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Li<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|C<4>}	H(C[6]C[6]2H)	109.0869	0.153	12	109.0221	2.662	934	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Li<3>,1|Zn<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|C<4>}	H(C[6]C[6]2H)	109.1100	0.012	3	109.0221	2.662	934	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Li<4>,1|C<4>,1|O<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|C<4>}	H(C[6]C[6]2H)	108.9150	0.048	7	109.0221	2.662	934	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Li<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|C<4>}	H(C[6]C[6]2H)	108.9366	0.236	25	109.0221	2.662	934	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Li<4>,1|Zn<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|C<4>}	H(C[6]C[6]2H)	109.1482	0.139	4	109.0221	2.662	934	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Li<5>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|C<4>}	H(C[6]C[6]2H)	108.9040	0.190	7	109.0221	2.662	934	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Li<5>,1|Zn<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|C<4>}	H(C[6]C[6]2H)	109.0221	0.059	10	109.0221	2.662	934	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Mg<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|C<4>}	H(C[6]C[6]2H)	108.9830	0.215	8	109.0221	2.662	934	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Ni<4>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|C<4>}	H(C[6]C[6]2H)	109.6335	1.283	37	109.0221	2.662	934	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Re<4>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|C<4>}	H(C[6]C[6]2H)	108.6910	0.027	2	109.0221	2.662	934	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Si<4>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|C<4>}	H(C[6]C[6]2H)	108.8312	0.140	4	109.0221	2.662	934	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Si<5>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|C<4>}	H(C[6]C[6]2H)	108.7348	0.060	4	109.0221	2.662	934	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Si<5>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|C<4>}	H(C[6]C[6]2H)	108.6425	0.194	4	109.0221	2.662	934	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Sm<10>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<5>,1|N<4>,3|C<4>}	H(C[6]C[6]2H)	108.9783	0.067	3	109.0221	2.662	934	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|C<4>}	H(C[6]C[6]2H)	108.7894	0.153	24	109.0221	2.662	934	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|C<4>}	H(C[6]C[6]2H)	108.9714	0.876	50	109.0221	2.662	934	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{2|Cu<2>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|C<4>}	H(C[6]C[6]2H)	108.9459	0.153	10	109.0221	2.662	934	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{2|Mg<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|C<4>}	H(C[6]C[6]2H)	109.0482	0.018	4	109.0221	2.662	934	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	109.4030	0.007	2	109.4030	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|S<4>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.7430	0.000	1	109.3864	0.115	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.5715	0.028	2	109.3864	0.115	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|S<4>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.0230	0.013	2	109.3864	0.115	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.1560	0.048	2	109.2390	0.150	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.6885	0.019	2	109.2390	0.150	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.0630	0.020	2	109.2390	0.150	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.6437	0.055	4	109.2390	0.150	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.0265	0.045	2	109.1564	0.023	21	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8740	0.066	2	109.1564	0.023	21	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.2030	0.016	2	109.1564	0.023	21	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.2560	0.049	2	109.1564	0.023	21	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.1246	0.132	5	109.1564	0.023	21	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3250	0.035	2	109.1564	0.023	21	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2590	0.135	4	109.1564	0.023	21	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.1280	0.017	2	109.1564	0.023	21	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<3>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.1510	0.014	2	109.1510	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	109.5640	0.140	8	109.5640	0.019	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Al<5>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.3602	0.065	6	109.3178	0.734	297	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Al<5>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.1690	0.439	3	109.3178	0.734	297	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|B<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1270	0.084	4	109.3178	0.734	297	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	109.1140	0.259	5	109.3178	0.734	297	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	111.0035	5.496	4	109.3178	0.734	297	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.6135	0.032	2	109.3178	0.734	297	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.9247	0.192	20	109.3178	0.734	297	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3006	0.668	21	109.3178	0.734	297	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2029	0.293	29	109.3178	0.734	297	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0093	0.061	4	109.3178	0.734	297	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.7445	0.762	12	109.3178	0.734	297	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|P<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.2325	0.152	4	109.3178	0.734	297	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.1744	0.153	10	109.3178	0.734	297	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.9990	0.938	4	109.3178	0.734	297	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	108.7622	0.048	4	109.3178	0.734	297	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9723	0.081	4	109.3178	0.734	297	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4230	0.184	9	109.3178	0.734	297	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.0191	0.703	8	109.3178	0.734	297	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	109.4870	0.993	6	109.3178	0.734	297	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.8152	0.619	4	109.3178	0.734	297	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.3063	0.405	32	109.3178	0.734	297	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1947	0.143	19	109.3178	0.734	297	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Fe<7>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.2717	0.490	4	109.3178	0.734	297	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Ir<6>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.3030	0.038	2	109.3178	0.734	297	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Li<3>,1|Zn<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4267	0.166	4	109.3178	0.734	297	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Mn<7>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.7802	0.132	4	109.3178	0.734	297	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Ni<6>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.5865	0.005	2	109.3178	0.734	297	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.3904	0.255	8	109.3178	0.734	297	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Os<9>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	111.4345	5.440	2	109.3178	0.734	297	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Pd<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.0398	0.163	5	109.3178	0.734	297	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Pt<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	108.9963	0.230	4	109.3178	0.734	297	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Ru<8>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	108.7035	0.801	2	109.3178	0.734	297	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Ru<9>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.6010	0.120	4	109.3178	0.734	297	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|Al<4>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2600	0.160	7	109.3178	0.734	297	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.4690	0.000	1	109.3178	0.734	297	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4762	1.504	9	109.3178	0.734	297	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1745	0.019	2	109.3178	0.734	297	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1027	0.115	11	109.3178	0.734	297	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.4960	0.024	2	109.3178	0.734	297	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.2740	0.031	2	109.3178	0.734	297	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1496	0.112	8	109.3178	0.734	297	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	110.2235	3.804	2	110.2235	14.467	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Si<3>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.2340	0.000	1	109.2340	0.000	1	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.9610	0.000	1	108.9610	0.000	1	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|N<3>,3|C<3>}	C[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6]2H)	110.0200	0.011	2	110.0200	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|N<2>}	H(C[6]C[6]2H)	109.4210	0.008	2	109.4210	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]B[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,3|H<1>}	C[6](C[6]B[5,6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.4620	1.536	2	109.4620	2.359	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]B[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,3|H<1>}	C[6](C[6]B[6,6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.9675	1.183	2	109.9675	1.399	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<3>,1|C<4>,2|H<1>}	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	110.4355	2.213	2	110.6939	3.116	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,2|H<1>}	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2H)	111.2675	4.446	2	110.6939	3.116	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,3|H<1>}	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	110.4467	1.376	4	110.6939	3.116	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,3|H<1>}	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	111.1325	1.049	2	110.6939	3.116	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<4>,4|H<1>}	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	110.4345	1.132	2	110.6939	3.116	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]CS)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|S<2>,3|C<4>}	C[6](C[6]C[5,6]CS)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.6035	0.022	2	109.6035	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.6970	0.057	2	109.6970	0.003	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.2115	0.207	4	109.2115	0.043	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5320	0.062	4	109.5320	0.004	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.3883	0.130	6	109.3883	0.017	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6770	0.000	1	109.5907	0.006	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5475	0.023	2	109.5907	0.006	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.7045	0.033	2	109.7045	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	110.6615	3.075	2	110.2204	1.547	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.7545	0.059	4	110.2204	1.547	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	110.4657	0.993	4	110.2204	1.547	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|F<1>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	111.5040	2.521	10	111.1793	5.774	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|F<1>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.5560	0.014	2	111.1793	5.774	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	109.5450	0.000	1	109.4414	0.736	50	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.9742	1.501	12	109.4414	0.736	50	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.6915	0.037	2	109.4414	0.736	50	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.4575	0.066	2	109.4414	0.736	50	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.2610	1.177	2	109.4414	0.736	50	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.6120	0.000	1	109.4414	0.736	50	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,1|S<1>,2|H<1>}	H(C[6]C[6]2H)	108.9865	0.008	2	109.4414	0.736	50	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.2220	0.006	2	109.4414	0.736	50	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.6400	0.017	2	109.4414	0.736	50	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.1615	0.021	4	109.4414	0.736	50	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.2890	0.020	2	109.4414	0.736	50	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.4319	0.374	16	109.4414	0.736	50	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.2850	0.020	2	109.4414	0.736	50	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.7277	0.105	3	109.7277	0.011	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<2>,1|C<4>,1|O<2>,1|S<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4060	0.000	1	109.4060	0.000	1	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Cl<1>,1|C<3>,2|C<4>}	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.5150	0.024	2	109.5150	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]FF)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]FF)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	108.2370	1.638	12	108.2370	2.683	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|F<1>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3205	0.028	2	109.4858	0.043	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|F<1>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.7475	0.057	2	109.4858	0.043	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.3895	0.016	2	109.4858	0.043	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.9655	0.026	2	109.3219	0.116	24	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.3579	0.137	11	109.3219	0.116	24	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.4010	0.055	2	109.3219	0.116	24	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.6600	0.000	1	109.3219	0.116	24	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5035	0.018	2	109.3219	0.116	24	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	108.8980	0.272	6	109.3219	0.116	24	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4213	0.065	4	109.7128	0.684	24	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4875	0.016	2	109.7128	0.684	24	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.7865	0.037	2	109.7128	0.684	24	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,1|S<1>,2|H<1>}	H(C[6]C[6]2H)	109.8385	0.022	2	109.7128	0.684	24	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	110.5670	0.496	2	109.7128	0.684	24	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.0100	2.425	2	109.7128	0.684	24	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	110.8500	1.913	2	109.7128	0.684	24	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.6075	0.043	2	109.7128	0.684	24	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.3610	0.052	2	109.7128	0.684	24	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.7385	0.064	2	109.7128	0.684	24	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.4645	0.050	2	109.7128	0.684	24	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.7325	0.018	2	109.4800	0.085	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2275	0.005	2	109.4800	0.085	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]II)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|I<1>}	C[6](C[6]C[6]HH)(C[6]C[6]II)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.7475	0.032	2	109.7475	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]SS)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|S<2>}	C[6](C[6]C[6]HH)(C[6]C[6]SS)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.9270	0.022	9	109.9270	0.000	9	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4771	0.142	8	109.4771	0.020	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Al<4>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.2908	0.090	4	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Al<4>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.5443	0.072	8	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Al<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.4249	0.123	36	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Al<5>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.4285	0.088	2	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Al<5>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.1168	0.574	6	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Al<5>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.5495	0.124	2	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.3930	0.052	4	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.4368	0.033	12	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<2>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.3901	0.097	20	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.6040	0.132	4	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.5930	0.010	2	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4882	0.190	24	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4740	0.261	20	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.6200	0.187	2	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.1575	0.252	4	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.4637	0.760	1589	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.3861	0.116	7	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.5270	0.021	2	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.2043	0.378	3	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<2>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.3480	0.367	4	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.7370	0.038	2	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.6389	1.364	28	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.3610	0.133	15	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.3393	0.167	27	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.3592	0.176	18	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.0611	0.146	7	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.0543	0.031	3	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|P<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.2460	0.063	4	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|P<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.5210	0.024	3	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|P<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.3770	0.491	116	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|P<5>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.5342	0.296	11	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	110.8800	1.389	3	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.6817	1.493	26	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|W<6>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.3552	0.068	4	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<2>,4|H<1>}	H(C[6]C[6]2H)	111.2325	1.538	4	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5331	0.140	10	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.2939	0.453	29	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	109.4330	0.017	2	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	110.2078	1.732	4	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.4954	0.361	36	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	111.9385	2.593	2	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.5893	1.475	196	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Co<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.4002	0.173	5	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Co<6>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.3882	0.222	23	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Cr<5>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.4435	0.247	4	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Cr<6>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.3638	0.116	20	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Cu<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.4557	0.117	7	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Cu<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.2450	0.173	8	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Cu<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.1718	0.667	12	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Cu<5>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	108.8965	0.099	4	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Fe<6>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.0763	0.164	3	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Fe<7>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.3683	0.089	4	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ga<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	110.0060	1.421	4	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ir<6>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.0563	0.236	4	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ir<6>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.6670	0.016	2	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Li<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.3458	0.163	12	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Li<5>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.4935	3.606	4	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Li<6>,1|C<4>,1|C<5>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.3708	0.083	8	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Mg<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.4463	0.188	12	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Mg<5>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.4327	0.046	4	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Mg<6>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.3819	0.114	19	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Mn<6>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.4410	0.062	4	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Mn<7>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.8635	0.094	4	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Mo<10>,1|B<6>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.2138	0.249	4	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Mo<6>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.2943	0.083	4	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Mo<6>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.5032	0.054	4	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ni<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.1045	1.396	4	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ni<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.5440	0.096	16	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ni<6>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.3549	0.305	13	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.1956	0.152	7	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Os<9>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	105.5554	15.926	2	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Pd<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.5207	0.051	10	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Pd<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.7270	0.045	5	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Pd<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.3717	0.214	7	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Pt<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.8722	0.200	4	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Pt<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.3417	0.132	24	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Pt<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.3968	0.173	53	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Pt<5>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.4537	0.072	4	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Re<6>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.3604	0.189	11	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Rh<5>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.3800	0.021	3	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Rh<8>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	107.8050	0.025	2	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ru<8>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	108.6555	0.211	2	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ru<9>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.3505	0.033	4	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ti<7>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	108.9895	0.055	12	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ti<8>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.3470	0.019	3	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|U<11>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|U<11>,1|N<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.6393	0.052	3	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Zn<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.4870	0.028	3	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Zn<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.4210	0.104	7	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Zn<5>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2H)	108.2157	0.148	4	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Zn<5>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.3843	0.067	3	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Zn<6>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.3518	0.031	4	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Zn<6>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.4912	0.085	5	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|Al<4>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.4309	0.145	8	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.8985	0.018	2	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4875	0.346	8	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.4267	0.728	478	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Si<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.7845	0.009	2	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.3460	0.044	2	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.5880	0.004	2	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.4283	0.614	257	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.4673	0.450	107	109.4413	0.653	3565	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7170	0.027	2	109.8602	0.020	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.9557	0.078	3	109.8602	0.020	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2980	0.007	2	109.4295	0.789	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4180	0.041	2	109.4295	0.789	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3665	0.005	2	109.4295	0.789	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3910	2.633	2	109.4295	0.789	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6740	0.028	2	109.4295	0.789	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.5553	0.034	3	109.5553	0.001	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3770	0.000	1	109.7057	0.056	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.7714	0.193	5	109.7057	0.056	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HN)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.2747	0.113	3	109.2747	0.013	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.3077	0.094	4	109.3077	0.009	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]OU)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]OU)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|U<11>,1|N<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.1915	0.064	4	109.1915	0.004	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2{1|B<4>,2|H<1>}	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.9045	0.013	2	108.9045	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.0335	0.190	4	108.8235	0.060	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.6835	0.164	6	108.8235	0.060	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2{1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.4360	0.000	1	109.4360	0.000	1	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.0720	0.000	1	109.0720	0.000	1	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.9410	0.044	2	108.9410	0.002	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2{1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[6]C[6]2H)	109.3750	0.142	4	109.3750	0.020	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.9700	0.049	2	108.9700	0.002	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|O<2>,2|C<4>}	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.9115	0.655	2	109.9115	0.430	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[6]C[6]2H)	109.5230	0.006	2	109.8611	0.793	16	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	110.7315	1.691	2	109.8611	0.793	16	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.5540	0.000	1	109.8611	0.793	16	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.5462	0.038	5	109.8611	0.793	16	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	111.1540	1.307	2	109.8611	0.793	16	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.4188	0.535	4	109.8611	0.793	16	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.0295	0.093	4	109.0295	0.009	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.6007	0.032	3	109.6007	0.001	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	112.1195	0.166	2	110.1313	1.108	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.6342	0.095	8	110.1313	1.108	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.5180	0.019	3	109.4822	0.003	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4285	0.043	2	109.4822	0.003	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.8355	0.465	6	109.5143	0.116	20	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.5375	0.013	2	109.5143	0.116	20	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3498	0.126	12	109.5143	0.116	20	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.5990	0.000	1	109.5243	0.004	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4870	0.008	2	109.5243	0.004	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.3685	0.013	2	109.5204	0.035	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.6933	0.132	4	109.5204	0.035	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4558	0.169	6	109.5204	0.035	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.7895	0.015	2	109.5029	0.070	92	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|B<4>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4670	0.000	1	109.5029	0.070	92	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.6797	0.251	18	109.5029	0.070	92	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.3160	0.607	6	109.5029	0.070	92	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.5205	0.005	2	109.5029	0.070	92	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.4357	0.296	6	109.5029	0.070	92	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6813	0.104	8	109.5029	0.070	92	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4282	0.175	49	109.5029	0.070	92	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3002	0.221	6	109.3002	0.049	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CN)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.1292	0.143	8	109.1292	0.020	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CO)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.0310	0.061	4	109.5592	2.346	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CO)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.9113	1.962	6	109.5592	2.346	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7835	0.023	2	109.7835	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6772	0.068	9	109.6772	0.005	9	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.6515	0.013	2	109.6515	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[5,6]Cl2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{2|Cl<1>,1|C<4>}	C[6](C[6]C[5,6]Cl2)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.3910	0.000	1	109.3910	0.000	1	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	110.7307	1.089	3	110.0966	0.581	9	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.8098	0.331	5	110.0966	0.581	9	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6280	0.000	1	110.0966	0.581	9	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>,3|O<2>}	H(C[6]C[6]2H)	109.4375	0.035	2	109.4375	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.6785	0.019	2	109.6964	0.020	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.7745	0.115	6	109.6964	0.020	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4775	0.005	2	109.6964	0.020	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7010	0.000	1	109.6964	0.020	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4155	0.047	2	109.5378	0.021	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.6600	0.013	2	109.5378	0.021	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.6668	0.518	6	109.6668	0.268	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4740	0.000	1	109.5920	0.099	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.3430	0.000	1	109.5920	0.099	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.7407	0.410	4	109.5920	0.099	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4780	0.030	2	109.5920	0.099	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|N<3>,2|C<4>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.6740	0.000	1	109.6740	0.000	1	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|Cl<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.5975	0.018	2	109.7062	0.017	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|Cl<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.8150	0.066	2	109.7062	0.017	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.6335	0.050	2	109.6940	0.027	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6105	0.029	2	109.6940	0.027	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.9820	0.000	1	109.6940	0.027	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.5403	0.396	19	109.3352	0.971	25	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6858	1.852	6	109.3352	0.971	25	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|P<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.8430	0.031	2	109.8430	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|S<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.6415	0.023	2	109.4387	0.131	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|S<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.6455	0.022	2	109.4387	0.131	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.6120	0.045	2	109.4387	0.131	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|Se<2>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.8560	0.076	2	109.4387	0.131	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.3733	0.142	3	109.6159	1.071	233	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Ru<6>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.8255	0.049	2	109.6159	1.071	233	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.6530	0.000	1	109.6159	1.071	233	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.6220	0.059	4	109.6159	1.071	233	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.8703	0.192	6	109.6159	1.071	233	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.6324	0.541	18	109.6159	1.071	233	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.7938	0.109	4	109.6159	1.071	233	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<2>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.6815	0.032	2	109.6159	1.071	233	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.5591	0.100	15	109.6159	1.071	233	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	109.7060	0.257	8	109.6159	1.071	233	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.7548	0.815	15	109.6159	1.071	233	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.8188	0.586	21	109.6159	1.071	233	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|Ca<6>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<3>,4|H<1>}	H(C[6]C[6]2H)	109.5239	0.210	70	109.6159	1.071	233	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|Li<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<3>,4|H<1>}	H(C[6]C[6]2H)	109.3935	0.049	4	109.6159	1.071	233	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|Li<4>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<3>,4|H<1>}	H(C[6]C[6]2H)	109.6425	2.346	41	109.6159	1.071	233	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|Mo<6>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<3>,4|H<1>}	H(C[6]C[6]2H)	109.4896	0.068	19	109.6159	1.071	233	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|Se<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.6207	0.091	3	109.6207	0.008	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.9370	0.032	4	109.9370	0.001	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	110.1750	0.017	2	110.1750	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.8885	0.030	2	109.7228	0.037	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.5570	0.006	2	109.7228	0.037	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HN)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HN)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<2>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.5980	0.010	2	109.5980	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.3080	0.020	2	109.3080	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	110.3972	0.456	6	109.5888	1.124	28	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.3683	1.076	22	109.5888	1.124	28	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HS)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HS)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	109.3879	0.278	8	109.3879	0.077	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]P[6]CC)(H)2	C[6](C[6]C[6]HH)(C[6]P[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]P[6]CC)(H)2{1|C<3>,1|P<4>,1|S<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]P[6]CC)(H)2{1|C<3>,1|P<4>,1|S<1>,2|C<4>}	H(C[6]C[6]2H)	108.1633	1.280	4	108.1633	1.637	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]P[6]CC)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]P[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|P<3>,4|C<4>}	H(C[6]C[6]2H)	108.4595	0.225	8	108.4595	0.051	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]P[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]P[6]HH)(H)2{1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|P<4>,4|H<1>}	H(C[6]C[6]2H)	109.1676	0.224	7	109.0984	0.036	18	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]P[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]P[6]HH)(H)2{1|Pt<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|P<4>,4|H<1>}	H(C[6]C[6]2H)	109.0544	0.161	11	109.0984	0.036	18	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]S[6]CH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]S[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	108.9455	0.008	2	108.9455	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]S[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]S[6]CH)(H)2{1|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6]HH)2(H)2{1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8470	0.045	2	108.8358	0.008	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]S[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]S[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8303	0.112	4	108.8358	0.008	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]S[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	109.3915	0.043	2	109.3915	0.002	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]S[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]S[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|S<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.0345	0.043	4	109.0345	0.002	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]B[4]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|B<4>,1|C<4>,3|H<1>}	C[6](C[6]B[4]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.4183	0.040	7	109.4183	0.002	7	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]B[4x3,5,4x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|B<6>,1|C<4>,3|H<1>}	C[6](C[6]B[4x3,5,4x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<2>,3|B<6>,4|H<1>}	H(C[6]C[6]2H)	109.3235	0.044	4	109.3235	0.002	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]B[5,5]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|B<4>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]B[5,5]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.4955	0.030	2	109.4955	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|B<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,3|O<2>}	H(C[6]C[6]2H)	109.3660	0.025	2	109.6022	0.730	39	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|B<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	110.4105	1.424	10	109.6022	0.730	39	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|B<3>,1|C<4>,3|H<1>}	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,4|H<1>}	H(C[6]C[6]2H)	109.2163	0.057	4	109.6022	0.730	39	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|B<3>,1|C<4>,3|H<1>}	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2490	0.096	4	109.6022	0.730	39	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|B<3>,1|C<4>,3|H<1>}	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3595	0.135	4	109.6022	0.730	39	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|B<4>,1|C<4>,3|H<1>}	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4740	0.148	7	109.6022	0.730	39	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|B<4>,1|C<4>,3|H<1>}	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2539	0.170	8	109.6022	0.730	39	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|B<4>,1|C<4>,3|H<1>}	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4454	0.165	5	109.4076	0.013	34	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|B<4>,1|C<4>,3|H<1>}	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3597	0.024	3	109.4076	0.013	34	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|B<4>,1|C<4>,3|H<1>}	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4267	0.127	12	109.4076	0.013	34	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|B<4>,1|C<4>,3|H<1>}	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.3881	0.094	14	109.4076	0.013	34	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|B<5>,4|H<1>}	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2{1|Zr<14>,1|C<4>,2|H<1>,2|H<2>}	H(C[6]C[6]2H)	109.0791	0.063	8	109.0791	0.004	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5015	0.008	2	109.5015	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	104.8755	4.341	2	109.0139	1.865	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3070	0.020	2	109.0139	1.865	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,1|P<4>,2|H<1>}	H(C[6]C[6]2H)	109.2488	0.047	6	109.0139	1.865	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|Nb<5>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.4485	0.028	2	109.0139	1.865	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2987	0.152	19	109.0139	1.865	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3150	0.000	1	109.3150	0.000	1	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[3]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[3]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2440	0.025	2	109.3515	0.015	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[3]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4052	0.114	4	109.3515	0.015	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[3]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4317	0.071	3	109.4317	0.005	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[3]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[3]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.8545	0.030	2	109.8545	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[3x3,4,3x5,14x6]C[4]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|C<5>,2|H<1>}	C[6](C[6]C[3x3,4,3x5,14x6]C[4]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|B<6>,4|H<1>}	H(C[6]C[6]2H)	109.7425	0.015	2	109.4722	0.063	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[3x3,4,3x5,14x6]C[4]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<5>,2|C<4>,2|H<1>}	C[6](C[6]C[3x3,4,3x5,14x6]C[4]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|B<6>,5|H<1>}	H(C[6]C[6]2H)	109.3370	0.177	4	109.4722	0.063	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[3x3,4,3x5,14x6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<5>,2|C<4>,2|H<1>}	C[6](C[6]C[3x3,4,3x5,14x6]C[5]C[6])(C[6]C[6]HH)(H)2{1|Fe<10>,3|C<4>,4|B<6>,4|H<1>}	H(C[6]C[6]2H)	109.2859	0.126	8	109.2859	0.016	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3830	0.000	1	109.3316	0.016	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3243	0.133	7	109.3316	0.016	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2532	1.860	4	109.5820	4.219	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.7464	2.248	8	109.5820	4.219	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6532	1.110	4	109.5738	0.354	13	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8600	0.043	3	109.5738	0.354	13	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3175	0.042	4	109.5738	0.354	13	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4985	0.005	2	109.5738	0.354	13	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[4]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<1>,3|C<4>}	C[6](C[6]C[4]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4570	0.024	2	109.4570	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2{1|B<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4261	0.070	17	109.3136	0.961	46	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.0244	2.652	7	109.3136	0.961	46	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6]2H)	109.3040	0.061	3	109.3136	0.961	46	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3757	0.056	4	109.3136	0.961	46	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2{1|P<4>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3065	0.096	15	109.3136	0.961	46	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[4]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[4]C[6]O)(C[6]C[6]HH)(H)2{1|S<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4398	0.106	8	109.4398	0.011	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,5]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3328	0.044	4	109.3328	0.002	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3648	0.026	4	109.3648	0.001	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.2185	0.435	2	109.8620	0.233	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.5055	0.016	2	109.8620	0.233	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2620	0.018	2	109.8265	1.255	29	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.8060	0.670	2	109.8265	1.255	29	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4425	0.005	2	109.8265	1.255	29	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.4977	0.047	3	109.8265	1.255	29	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	113.7855	0.441	2	109.8265	1.255	29	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	109.4249	0.061	7	109.8265	1.255	29	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5832	0.219	6	109.8265	1.255	29	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5200	0.000	1	109.8265	1.255	29	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7225	0.027	4	109.8265	1.255	29	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.1985	0.022	2	108.1985	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.5165	0.016	2	109.5165	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	110.4960	0.354	2	110.4960	0.125	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4074	0.079	7	109.3356	0.013	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2860	0.000	1	109.3356	0.013	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2640	0.064	2	109.3356	0.013	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1805	0.039	2	109.3356	0.013	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2790	0.021	2	109.4067	0.724	677	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.5205	0.248	2	109.4067	0.724	677	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	110.4085	2.734	2	109.4067	0.724	677	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4130	0.027	2	109.4067	0.724	677	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4490	0.033	4	109.4067	0.724	677	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.5755	0.029	2	109.4067	0.724	677	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5960	0.049	2	109.4067	0.724	677	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7960	1.690	2	109.4067	0.724	677	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4900	0.266	2	109.4067	0.724	677	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4650	0.048	6	109.4067	0.724	677	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3528	0.040	4	109.4067	0.724	677	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.4717	0.972	44	109.4067	0.724	677	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.3938	0.143	73	109.4067	0.724	677	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4385	1.049	131	109.4067	0.724	677	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.2785	0.051	11	109.4067	0.724	677	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.5009	0.059	8	109.4067	0.724	677	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	109.3035	0.194	16	109.4067	0.724	677	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4105	1.236	20	109.4067	0.724	677	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.5368	0.090	11	109.4067	0.724	677	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.4233	0.799	195	109.4067	0.724	677	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3964	0.142	33	109.4067	0.724	677	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5242	2.849	16	109.4067	0.724	677	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3860	0.042	4	109.4067	0.724	677	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4129	0.135	65	109.4067	0.724	677	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	109.4374	0.065	8	109.4067	0.724	677	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.4760	0.042	2	109.4067	0.724	677	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5517	0.232	6	109.4067	0.724	677	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5900	0.040	2	109.4067	0.724	677	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.4455	0.018	2	109.4067	0.724	677	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3890	0.074	4	109.3890	0.006	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8960	0.356	2	109.4960	0.421	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2610	1.786	2	109.4960	0.421	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4410	0.074	6	109.4960	0.421	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.3212	0.109	15	109.3843	0.027	46	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Fe<10>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4013	0.169	4	109.3843	0.027	46	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2{2|Mo<8>,4|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.3432	0.021	4	109.3843	0.027	46	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2{2|Mo<9>,4|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.4172	0.069	4	109.3843	0.027	46	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2{2|Sm<15>,2|N<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4025	0.238	12	109.3843	0.027	46	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2{2|W<8>,4|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.3097	0.016	3	109.3843	0.027	46	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2{2|W<9>,4|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.6138	0.064	4	109.3843	0.027	46	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4730	0.150	6	109.3885	0.145	18	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2{1|Ru<8>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3670	0.192	4	109.3885	0.145	18	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2{1|Ti<12>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4350	0.065	4	109.3885	0.145	18	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2{1|Zr<12>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2368	0.833	4	109.3885	0.145	18	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6170	0.160	2	109.2554	0.639	321	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.5530	0.031	4	109.2554	0.639	321	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.7140	0.007	2	109.2554	0.639	321	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	106.6630	1.978	2	109.2554	0.639	321	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.9920	0.928	2	109.2554	0.639	321	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3700	0.017	2	109.2554	0.639	321	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.3678	0.100	22	109.2554	0.639	321	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2085	0.022	2	109.2554	0.639	321	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5005	0.172	6	109.2554	0.639	321	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.3593	0.090	4	109.2554	0.639	321	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4050	0.041	4	109.2554	0.639	321	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.5375	0.032	2	109.2554	0.639	321	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.1390	2.014	4	109.2554	0.639	321	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3347	0.095	4	109.2554	0.639	321	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.0532	0.514	4	109.2554	0.639	321	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.8215	0.011	2	109.2554	0.639	321	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|B<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.4027	0.029	4	109.2554	0.639	321	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|B<3>,1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4623	0.040	3	109.2554	0.639	321	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1596	1.699	12	109.2554	0.639	321	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.4310	0.000	1	109.2554	0.639	321	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.3531	0.067	7	109.2554	0.639	321	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8825	0.725	4	109.2554	0.639	321	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3947	0.124	3	109.2554	0.639	321	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(C[6]C[6]2H)	109.8050	1.831	4	109.2554	0.639	321	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4955	0.005	2	109.2554	0.639	321	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2325	0.008	2	109.2554	0.639	321	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.4270	0.131	7	109.2554	0.639	321	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|O<2>,5|H<1>}	H(C[6]C[6]2H)	109.3073	0.083	7	109.2554	0.639	321	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Co<10>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4142	0.030	6	109.2554	0.639	321	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Fe<10>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3247	0.138	13	109.2554	0.639	321	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Mn<10>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3550	0.210	26	109.2554	0.639	321	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Mo<9>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4281	0.142	9	109.2554	0.639	321	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3698	0.335	42	109.2554	0.639	321	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2546	0.142	12	109.2554	0.639	321	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4030	0.118	3	109.2554	0.639	321	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Os<10>,1|P<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	107.4073	3.284	8	109.2554	0.639	321	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Os<11>,1|P<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3120	0.097	15	109.2554	0.639	321	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Os<11>,1|P<5>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1628	0.312	14	109.2554	0.639	321	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Ru<11>,1|P<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9163	1.047	8	109.2554	0.639	321	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Ru<11>,1|P<5>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0870	0.515	8	109.2554	0.639	321	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Zr<12>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3982	0.132	12	109.2554	0.639	321	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3463	0.113	6	109.2554	0.639	321	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3103	0.205	15	109.2554	0.639	321	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.3948	0.271	15	109.4371	0.050	24	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4765	0.026	2	109.4371	0.050	24	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.4883	0.129	3	109.4371	0.050	24	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4775	0.032	2	109.4371	0.050	24	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5975	0.013	2	109.4371	0.050	24	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]C[6]S)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]S)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3273	0.072	4	109.3273	0.005	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.0230	0.000	1	110.0230	0.000	1	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5a]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]C[5a]2C[6])(C[6]C[6]HH)(H)2{2|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2050	0.000	1	109.4789	0.031	52	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5a]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.5057	0.175	44	109.4789	0.031	52	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5a]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.3493	0.094	7	109.4789	0.031	52	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5a]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.6420	0.435	4	109.6420	0.189	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.6640	0.030	2	109.6640	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4570	0.000	1	109.3950	0.134	62	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.2915	0.405	8	109.3950	0.134	62	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.4845	0.562	8	109.3950	0.134	62	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.3464	0.082	7	109.3950	0.134	62	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.2103	0.181	4	109.3950	0.134	62	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.3239	0.082	11	109.3950	0.134	62	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,4|H<1>}	H(C[6]C[6]2H)	109.4080	0.037	4	109.3950	0.134	62	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	110.3535	0.917	2	109.3950	0.134	62	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2278	0.191	8	109.3950	0.134	62	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.8600	0.072	3	109.3950	0.134	62	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.8560	0.000	1	109.3950	0.134	62	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.2668	0.193	4	109.3950	0.134	62	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3300	0.000	1	109.3950	0.134	62	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5a]C[6]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5a]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.3005	0.058	8	109.3005	0.003	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6]2H)	109.3926	0.166	23	109.3884	0.022	34	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.3568	0.124	8	109.3884	0.022	34	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4410	0.059	3	109.3884	0.022	34	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5a]N[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[5a]N[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.7135	0.028	2	109.7135	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	109.6620	0.186	3	109.7850	0.269	9	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.9862	0.769	4	109.7850	0.269	9	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.5670	0.025	2	109.7850	0.269	9	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5x3,5x5,20x6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|C<6>,2|H<1>}	C[6](C[6]C[5x3,5x5,20x6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>,5|B<6>}	H(C[6]C[6]2H)	109.5097	0.068	4	109.4205	0.016	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[5x3,5x5,20x6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<6>,2|C<4>,2|H<1>}	C[6](C[6]C[5x3,5x5,20x6]C[5]C[6])(C[6]C[6]HH)(H)2{1|Fe<10>,3|C<4>,4|H<1>,5|B<6>}	H(C[6]C[6]2H)	109.3759	0.129	8	109.4205	0.016	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6,6]BrC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Br<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]BrC)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	107.3905	0.564	2	107.3905	0.318	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<1>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2378	0.150	4	109.2378	0.023	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4355	0.037	2	109.3608	0.073	15	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2542	0.199	5	109.3608	0.073	15	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3085	0.327	6	109.3608	0.073	15	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7095	0.013	2	109.3608	0.073	15	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4657	0.121	4	109.4115	0.023	16	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3423	0.046	4	109.4115	0.023	16	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4135	0.192	4	109.4115	0.023	16	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4245	0.226	4	109.4115	0.023	16	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.4635	0.012	2	109.4635	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Br<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	110.8785	1.029	2	109.4804	1.554	371	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.3636	0.109	7	109.4804	1.554	371	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.5055	0.029	2	109.4804	1.554	371	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4330	0.017	2	109.4804	1.554	371	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.1330	0.514	8	109.4804	1.554	371	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5050	0.024	2	109.4804	1.554	371	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3138	0.210	6	109.4804	1.554	371	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.6680	0.008	2	109.4804	1.554	371	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.4852	0.050	13	109.4804	1.554	371	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.3713	0.687	14	109.4804	1.554	371	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4289	0.108	10	109.4804	1.554	371	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.3289	0.251	11	109.4804	1.554	371	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.1798	0.174	15	109.4804	1.554	371	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4924	0.090	5	109.4804	1.554	371	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.5269	0.102	27	109.4804	1.554	371	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.4113	0.659	80	109.4804	1.554	371	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|S<2>}	H(C[6]C[6]2H)	109.5510	0.016	2	109.4804	1.554	371	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.9126	4.235	27	109.4804	1.554	371	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4906	0.120	49	109.4804	1.554	371	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|P<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4930	0.207	6	109.4804	1.554	371	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|P<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5197	0.043	7	109.4804	1.554	371	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5019	1.059	35	109.4804	1.554	371	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4217	0.315	25	109.4804	1.554	371	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2772	0.200	6	109.4804	1.554	371	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.9333	1.219	6	109.4804	1.554	371	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6500	0.016	2	109.4804	1.554	371	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.6585	0.043	2	109.6585	0.002	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|O<2>,3|C<4>}	C[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.4400	1.102	2	109.4618	0.305	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4763	0.041	3	109.4618	0.305	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5250	0.011	2	109.3192	0.595	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6]2H)	109.3548	0.083	6	109.3192	0.595	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.1086	1.608	16	109.3192	0.595	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5398	0.092	11	109.3192	0.595	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3616	0.160	25	109.3192	0.595	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.3151	0.141	8	109.3192	0.595	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.3210	0.052	3	109.3192	0.595	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6460	0.028	2	109.3192	0.595	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.7113	1.089	12	109.3192	0.595	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2780	0.028	2	109.3192	0.595	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|O<1>,1|S<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4900	0.024	4	109.3192	0.595	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3140	0.008	2	109.3192	0.595	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2955	0.740	2	109.3192	0.595	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.8650	0.031	2	109.3192	0.595	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.3380	0.068	5	109.3192	0.595	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.3620	0.027	2	109.3192	0.595	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|Pt<4>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5385	0.035	2	109.3192	0.595	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.5525	0.028	2	109.3192	0.595	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.1620	0.519	2	109.3192	0.595	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.3385	0.008	2	109.3192	0.595	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.2683	0.252	18	109.3192	0.595	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2745	0.040	2	109.3192	0.595	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2746	0.117	16	109.3192	0.595	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|N<3>,3|C<4>}	H(C[6]C[6]2H)	109.5480	0.028	2	109.3192	0.595	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2600	0.239	4	109.3192	0.595	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(C[6]C[6]2H)	109.3836	0.114	8	109.3192	0.595	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.3293	0.076	8	109.3192	0.595	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,2|O<2>,5|H<1>}	H(C[6]C[6]2H)	108.4030	1.116	6	109.3192	0.595	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3909	0.093	16	109.3192	0.595	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.1515	1.802	24	109.3192	0.595	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4195	0.099	12	109.3192	0.595	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3954	0.074	5	109.3192	0.595	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3977	0.093	15	109.3192	0.595	248	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]2N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]2N)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4037	0.156	3	109.4037	0.024	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<3>,2|H<1>}	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.3603	0.140	4	109.4384	0.070	36	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2{1|C<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.9733	0.507	4	109.4384	0.070	36	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2{1|F<1>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4172	0.062	6	109.4384	0.070	36	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3733	0.070	6	109.4384	0.070	36	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3567	0.137	16	109.4384	0.070	36	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]2S)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]2S)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4054	0.105	7	109.4326	0.012	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]2S)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]2S)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4802	0.119	4	109.4326	0.012	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]AlH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Al<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]AlH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1855	0.015	2	109.1855	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]AsH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|As<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]AsH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3374	0.043	9	109.3374	0.002	9	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]AuC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Au<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]AuC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3697	0.084	3	109.3697	0.007	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|B<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3553	0.289	73	109.3545	0.062	138	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|B<4>,1|C<3>,3|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.5200	0.010	2	109.3545	0.062	138	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|B<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5467	0.012	3	109.3545	0.062	138	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|B<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.6608	0.234	4	109.3545	0.062	138	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|B<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3154	0.177	56	109.3545	0.062	138	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Br<1>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2475	0.012	2	109.1834	0.157	24	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4080	0.119	6	109.1834	0.157	24	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.3401	0.069	12	109.1834	0.157	24	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.3443	0.138	4	109.1834	0.157	24	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6900	2.256	4	109.3786	0.483	333	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.0583	1.626	4	109.3786	0.483	333	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6292	1.073	16	109.3786	0.483	333	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6985	0.040	4	109.3786	0.483	333	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3680	0.007	2	109.3786	0.483	333	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.0520	0.008	2	109.3786	0.483	333	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7200	0.016	2	109.3786	0.483	333	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6240	0.027	2	109.3786	0.483	333	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.3965	0.005	2	109.3786	0.483	333	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.9847	1.289	6	109.3786	0.483	333	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3273	0.098	12	109.3786	0.483	333	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3899	0.059	16	109.3786	0.483	333	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8420	0.014	2	109.3786	0.483	333	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6109	0.318	19	109.3786	0.483	333	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8553	0.062	7	109.3786	0.483	333	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5971	0.058	8	109.3786	0.483	333	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.2900	1.249	2	109.3786	0.483	333	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<2>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3630	0.108	3	109.3786	0.483	333	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.4615	0.005	2	109.3786	0.483	333	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.8778	0.618	5	109.3786	0.483	333	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3695	0.111	17	109.3786	0.483	333	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4200	0.013	2	109.3786	0.483	333	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Cl<1>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.5460	0.037	2	109.3786	0.483	333	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	109.3425	0.005	2	109.3786	0.483	333	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.9540	0.010	2	109.3786	0.483	333	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4895	0.018	2	109.3786	0.483	333	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.3375	0.032	2	109.3786	0.483	333	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.8310	0.147	6	109.3786	0.483	333	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.5973	1.676	4	109.3786	0.483	333	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2707	0.705	165	109.3786	0.483	333	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4855	0.008	2	109.3786	0.483	333	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{5|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.5500	0.024	3	109.3786	0.483	333	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{5|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6645	0.031	4	109.3786	0.483	333	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|F<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.1735	0.194	2	109.1735	0.038	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1203	0.018	3	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.2990	0.858	2	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2517	0.816	11	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1920	0.065	4	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3680	0.095	4	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3170	0.321	5	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Ni<5>,1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.5795	0.006	2	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2703	0.089	6	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.1755	0.315	2	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4155	0.008	2	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7395	0.021	2	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3793	0.355	6	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.7186	1.812	22	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.9999	0.882	7	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3819	0.155	17	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3632	0.331	108	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.5720	0.024	2	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4572	0.211	43	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.2935	0.015	4	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.3059	0.210	50	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4960	0.067	4	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	109.4325	0.011	2	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.6280	0.042	2	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2960	0.661	304	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4716	0.218	22	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.9317	0.876	4	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.9850	0.064	2	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7025	0.059	2	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.9772	0.853	4	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.5324	0.525	7	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.6643	0.020	3	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2903	0.322	18	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Ru<5>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5752	0.024	4	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3674	0.091	8	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.4190	0.033	2	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.5260	0.042	3	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.3148	0.726	4	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3860	0.209	2	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.7270	0.000	1	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4035	0.120	8	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0615	0.015	2	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.5830	0.907	2	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	109.6028	0.449	4	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3394	0.278	8	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4990	0.108	4	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1709	1.691	22	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4690	0.081	4	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9480	0.023	2	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	109.5120	0.016	2	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	109.4350	0.040	2	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.9865	0.023	2	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2695	1.640	2	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5520	0.222	4	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.8941	0.856	14	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3918	0.080	8	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5747	0.048	3	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5368	0.284	6	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7085	0.005	2	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.7455	0.035	2	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.5335	0.005	2	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.1925	0.039	2	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.6816	0.704	10	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3616	0.240	23	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5105	0.085	16	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3824	0.520	23	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4613	0.213	33	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3458	0.749	858	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Co<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3235	0.047	2	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6623	1.701	6	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4540	0.021	2	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|W<10>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4945	0.015	2	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5145	0.615	16	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.4734	0.128	8	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4676	0.119	10	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8007	0.466	6	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Ir<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5905	0.032	4	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Ir<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0625	0.267	10	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Ir<5>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2448	0.159	11	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4013	0.039	6	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Pd<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2582	0.217	10	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Pt<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3208	0.054	4	109.3410	0.469	1867	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2797	0.190	18	109.4409	1.574	153	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3245	0.080	11	109.4409	1.574	153	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4017	0.034	4	109.4409	1.574	153	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4945	0.065	4	109.4409	1.574	153	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.5890	0.011	2	109.4409	1.574	153	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.3790	0.000	1	109.4409	1.574	153	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3365	0.397	41	109.4409	1.574	153	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4515	0.453	4	109.4409	1.574	153	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.6640	0.765	2	109.4409	1.574	153	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.5510	0.105	8	109.4409	1.574	153	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.9497	3.402	18	109.4409	1.574	153	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|C<5>,1|N<4>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2925	0.031	4	109.4409	1.574	153	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4835	0.047	2	109.4409	1.574	153	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.1240	0.046	4	109.4409	1.574	153	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.3975	0.028	2	109.4409	1.574	153	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2646	0.120	7	109.4409	1.574	153	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,1|I<1>,3|H<1>}	H(C[6]C[6]2H)	109.5095	0.042	2	109.4409	1.574	153	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7638	1.330	12	109.4409	1.574	153	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5459	0.260	7	109.4409	1.574	153	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4165	0.070	2	109.4218	0.953	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.2237	2.232	4	109.4218	0.953	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.3991	0.044	7	109.4218	0.953	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.2955	0.044	4	109.4218	0.953	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.5597	0.048	4	109.4218	0.953	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.0142	0.126	6	109.4218	0.953	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	108.9980	0.144	2	109.4218	0.953	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4608	0.232	10	109.4218	0.953	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2170	0.065	3	109.4218	0.953	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.1940	2.018	4	109.4218	0.953	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2483	0.817	18	109.4218	0.953	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6910	0.000	1	109.4218	0.953	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3160	0.034	2	109.4218	0.953	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.3737	0.080	6	109.4218	0.953	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4253	0.107	26	109.4218	0.953	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<3>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4159	0.132	23	109.4218	0.953	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4030	1.553	2	109.4218	0.953	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3180	0.357	6	109.4218	0.953	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2080	0.000	1	109.4218	0.953	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5120	0.014	2	109.4218	0.953	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9780	0.004	2	109.4218	0.953	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4310	0.008	2	109.4218	0.953	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	109.3340	0.000	1	109.4218	0.953	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.2853	0.123	4	109.4218	0.953	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.4060	0.028	2	109.4218	0.953	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.5845	0.019	2	109.4218	0.953	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	110.2750	4.039	2	109.4218	0.953	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4343	1.269	119	109.4218	0.953	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2395	0.881	4	109.4218	0.953	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4685	0.050	4	109.4218	0.953	275	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CP)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<1>,1|P<4>,2|C<4>}	C[6](C[6]C[6]CP)(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2210	0.025	2	109.3470	0.025	22	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CP)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|P<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CP)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3596	0.161	20	109.3470	0.025	22	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CS)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[6]CS)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.2860	0.076	2	109.2445	0.020	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CS)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CS)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2030	0.221	2	109.2445	0.020	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Cl<1>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.3735	0.005	2	109.5110	0.025	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Cl<1>,4|C<4>}	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.6485	0.023	2	109.5110	0.025	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4035	0.012	2	109.5074	1.063	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8090	0.386	4	109.5074	1.063	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	111.0080	0.718	2	109.5074	1.063	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CoH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Co<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CoH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2677	0.155	3	109.2775	0.016	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CoH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Co<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CoH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3070	0.000	1	109.2775	0.016	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Cr<6>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CrH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.5335	1.887	8	109.4951	2.288	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Cr<8>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CrH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4183	0.253	4	109.4951	2.288	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CrN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Cr<6>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CrN)(C[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8505	1.155	8	108.8505	1.333	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CuH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Cu<5>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CuH)(C[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2043	0.377	3	109.2043	0.142	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|F<1>,1|N<3>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.0657	1.055	18	109.2181	0.762	30	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|F<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.2092	0.159	4	109.2181	0.762	30	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4395	0.089	4	109.2181	0.762	30	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.5910	0.011	2	109.2181	0.762	30	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.7920	1.237	2	109.2181	0.762	30	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]FP)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|F<1>,1|P<4>,2|H<1>}	C[6](C[6]C[6]FP)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.2775	0.235	4	109.2775	0.055	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]GeH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Ge<2>,1|C<4>,3|H<1>}	C[6](C[6]C[6]GeH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3852	0.088	4	109.3852	0.008	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|I<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.5710	0.000	1	109.5498	0.021	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|I<1>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.6902	0.046	4	109.5498	0.021	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|I<1>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3620	0.022	3	109.5498	0.021	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|I<1>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5400	0.004	2	109.5498	0.021	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.1725	0.013	2	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2573	0.069	3	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	107.6200	3.226	2	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3735	0.022	2	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6672	0.126	10	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	105.6750	0.064	2	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|Br<1>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4921	0.825	8	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3889	0.195	9	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<2>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4520	0.052	7	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.4995	0.008	2	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|F<1>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.9297	1.237	18	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2700	0.058	2	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3375	0.140	4	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|I<1>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.6532	0.058	4	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4925	0.016	2	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	109.3784	0.624	526	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.6653	1.145	35	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.3250	0.008	2	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[6]2H)	109.4540	0.065	2	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.8060	0.000	1	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3335	0.298	532	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4395	0.015	2	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2910	3.203	4	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.3548	0.945	12	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	110.0590	2.668	4	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2H)	112.6665	0.415	2	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|Br<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4575	0.110	2	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4660	0.098	4	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3870	0.000	1	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.3967	0.188	8	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3903	0.243	43	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|I<1>,3|H<1>}	H(C[6]C[6]2H)	109.4190	0.141	2	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	109.7106	0.854	23	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.2610	0.695	943	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.3112	0.440	81	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.5227	0.589	28	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	109.3467	0.104	6	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	109.5627	0.012	4	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3427	0.578	3610	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|Cl<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2545	0.045	2	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|F<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5265	0.397	2	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3663	0.103	3	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5213	0.140	28	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.5242	0.087	4	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3282	0.169	4	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6]2H)	109.4115	0.037	2	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	109.4370	0.055	2	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.2922	0.442	72	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.4442	0.518	818	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.3106	0.108	5	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<3>,3|H<1>}	H(C[6]C[6]2H)	109.2963	0.075	4	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3228	0.427	1121	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5455	0.056	2	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|H<1>,2|N<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5420	0.013	2	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2421	0.321	24	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5730	0.021	2	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1615	1.928	2	109.3457	0.327	8053	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.5285	0.015	2	109.3752	0.340	773	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7150	0.025	2	109.3752	0.340	773	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.8495	0.069	6	109.3752	0.340	773	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.7250	0.004	2	109.3752	0.340	773	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.3035	0.028	2	109.3752	0.340	773	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|F<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.7287	0.502	4	109.3752	0.340	773	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4925	0.008	2	109.3752	0.340	773	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.7243	0.606	12	109.3752	0.340	773	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Br<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3844	0.090	11	109.3752	0.340	773	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.9230	0.095	5	109.3752	0.340	773	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	109.3654	0.083	8	109.3752	0.340	773	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.1813	1.158	10	109.3752	0.340	773	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3419	0.239	30	109.3752	0.340	773	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6]2H)	105.7445	0.845	2	109.3752	0.340	773	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4693	0.401	53	109.3752	0.340	773	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.2866	0.159	5	109.3752	0.340	773	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.3953	0.836	240	109.3752	0.340	773	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	111.2385	1.638	2	109.3752	0.340	773	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	109.5469	0.225	7	109.3752	0.340	773	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|S<3>,3|H<1>}	H(C[6]C[6]2H)	109.5605	0.008	2	109.3752	0.340	773	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[6]2H)	109.4910	0.000	1	109.3752	0.340	773	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3483	0.177	189	109.3752	0.340	773	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6637	0.051	3	109.3752	0.340	773	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4635	0.012	2	109.3752	0.340	773	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Se<2>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4425	0.018	2	109.3752	0.340	773	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4453	0.460	40	109.3752	0.340	773	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.4095	0.052	4	109.3752	0.340	773	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<3>,3|H<1>}	H(C[6]C[6]2H)	109.4935	0.114	6	109.3752	0.340	773	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3975	0.125	32	109.3752	0.340	773	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4709	0.137	12	109.3752	0.340	773	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3345	0.165	21	109.3752	0.340	773	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Ir<5>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1879	0.070	7	109.3752	0.340	773	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Cl<1>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.3920	0.000	1	109.3752	0.340	773	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.2833	0.021	3	109.3752	0.340	773	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|N<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.3800	0.027	4	109.3752	0.340	773	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4915	0.021	2	109.3752	0.340	773	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5692	0.221	4	109.3752	0.340	773	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.2174	0.490	16	109.3752	0.340	773	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3756	0.079	8	109.3752	0.340	773	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Cl<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6027	0.007	3	109.3752	0.340	773	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5503	0.292	6	109.3752	0.340	773	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|P<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	112.6715	2.894	2	109.2888	0.307	10109	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|P<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	111.3750	4.504	8	109.2888	0.307	10109	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|P<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<2>,4|H<1>}	H(C[6]C[6]2H)	109.2198	0.397	4	109.2888	0.307	10109	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3015	0.078	14	109.2888	0.307	10109	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3108	0.568	657	109.2888	0.307	10109	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.9845	0.617	4	109.2888	0.307	10109	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.6850	0.206	5	109.2888	0.307	10109	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	105.4720	0.199	2	109.2888	0.307	10109	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	109.4445	0.025	4	109.2888	0.307	10109	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2843	0.530	9212	109.2888	0.307	10109	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|Ru<10>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3545	0.039	2	109.2888	0.307	10109	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<5>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2734	0.317	191	109.2888	0.307	10109	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|H<1>,2|P<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	111.6562	2.145	4	109.2888	0.307	10109	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	110.0010	0.653	2	109.2795	0.552	238	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.4781	1.959	8	109.2795	0.552	238	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|S<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.4675	0.030	2	109.2795	0.552	238	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3225	0.077	2	109.2795	0.552	238	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.5585	1.534	2	109.2795	0.552	238	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3730	0.020	2	109.2795	0.552	238	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4048	0.135	4	109.2795	0.552	238	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4500	0.063	6	109.2795	0.552	238	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3169	0.300	32	109.2795	0.552	238	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3220	0.484	2	109.2795	0.552	238	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4575	0.021	2	109.2795	0.552	238	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|S<3>,3|H<1>}	H(C[6]C[6]2H)	109.2417	1.062	36	109.2795	0.552	238	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1840	0.790	87	109.2795	0.552	238	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	108.9825	0.036	2	109.2795	0.552	238	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4040	0.028	2	109.2795	0.552	238	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3777	0.106	47	109.2795	0.552	238	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HW)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|W<7>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HW)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6885	0.272	4	108.8632	0.118	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HW)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|W<10>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HW)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2125	0.050	2	108.8632	0.118	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]NN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[6]HH)(C[6]C[6]NN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4548	0.112	4	109.4548	0.013	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]NO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]NO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3185	0.051	4	109.3185	0.003	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.5295	0.013	2	109.4007	0.194	38	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3215	0.040	2	109.4007	0.194	38	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3978	0.465	34	109.4007	0.194	38	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]SS)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|H<1>,2|S<2>}	C[6](C[6]C[6]HH)(C[6]C[6]SS)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4548	0.181	4	109.4548	0.033	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5264	0.240	5	109.9283	1.460	866	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.2945	0.217	4	109.9283	1.460	866	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3160	1.172	4	109.9283	1.460	866	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	115.2285	8.809	4	109.9283	1.460	866	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<5>,1|N<4>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Sm<10>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.8340	0.053	4	109.9283	1.460	866	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Al<2>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.2767	0.030	6	109.9283	1.460	866	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Al<4>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.1445	0.022	4	109.9283	1.460	866	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|B<2>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7239	0.051	7	109.9283	1.460	866	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|B<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8978	0.502	15	109.9283	1.460	866	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|B<4>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.3342	0.026	4	109.9283	1.460	866	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<2>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.9551	0.122	8	109.9283	1.460	866	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8066	0.416	49	109.9283	1.460	866	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.7534	0.157	37	109.9283	1.460	866	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.9560	1.680	253	109.9283	1.460	866	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,1|P<2>,2|H<1>}	H(C[6]C[6]2H)	110.1419	0.066	20	109.9283	1.460	866	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,1|P<3>,2|H<1>}	H(C[6]C[6]2H)	110.4013	1.456	19	109.9283	1.460	866	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4857	0.045	4	109.9283	1.460	866	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Cd<2>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8443	0.072	7	109.9283	1.460	866	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Mg<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6947	0.031	6	109.9283	1.460	866	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Re<4>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.3700	0.016	2	109.9283	1.460	866	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Si<4>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.3850	0.045	3	109.9283	1.460	866	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Si<5>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.1870	0.030	3	109.9283	1.460	866	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.0714	0.077	20	109.9283	1.460	866	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Al<4>,1|Li<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.1937	0.108	8	109.9283	1.460	866	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Al<4>,1|Li<4>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.1842	0.075	26	109.9283	1.460	866	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6989	0.117	48	109.9283	1.460	866	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.8633	0.498	55	109.9283	1.460	866	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5099	0.826	54	109.9283	1.460	866	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Cu<2>,1|Li<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.9454	0.153	25	109.9283	1.460	866	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Cu<2>,1|Li<7>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.9797	0.012	3	109.9283	1.460	866	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Li<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8561	0.095	10	109.9283	1.460	866	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Li<3>,1|Zn<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6410	0.036	3	109.9283	1.460	866	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Li<4>,1|C<4>,1|O<3>,2|H<1>}	H(C[6]C[6]2H)	109.7852	0.043	6	109.9283	1.460	866	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Li<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7591	0.182	25	109.9283	1.460	866	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Li<4>,1|Zn<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5743	0.060	4	109.9283	1.460	866	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Li<5>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7939	0.151	7	109.9283	1.460	866	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Li<5>,1|Zn<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8337	0.095	11	109.9283	1.460	866	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Ni<4>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	110.1924	1.066	34	109.9283	1.460	866	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Si<5>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8330	0.064	2	109.9283	1.460	866	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.9210	0.785	45	109.9283	1.460	866	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{2|Cu<2>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7809	0.094	9	109.9283	1.460	866	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{2|Mg<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.9550	0.018	3	109.9283	1.460	866	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4667	0.291	6	109.6505	0.697	288	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	112.3672	4.794	4	109.6505	0.697	288	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	109.7146	0.142	8	109.6505	0.697	288	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4084	1.137	5	109.6505	0.697	288	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1360	0.042	2	109.6505	0.697	288	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5540	0.027	2	109.6505	0.697	288	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5240	0.240	21	109.6505	0.697	288	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6850	0.352	4	109.6505	0.697	288	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Ir<6>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.9230	0.035	2	109.6505	0.697	288	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Mn<7>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1290	0.041	4	109.6505	0.697	288	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7560	0.241	7	109.6505	0.697	288	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Os<9>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	112.4490	2.896	2	109.6505	0.697	288	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Pt<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6097	0.073	4	109.6505	0.697	288	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Ru<9>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4582	0.043	4	109.6505	0.697	288	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.9130	0.055	2	109.6505	0.697	288	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6685	0.795	13	109.6505	0.697	288	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5773	0.830	22	109.6505	0.697	288	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|P<3>,2|H<1>}	H(C[6]C[6]2H)	109.5350	0.472	4	109.6505	0.697	288	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	110.2895	1.121	4	109.6505	0.697	288	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4737	0.107	10	109.6505	0.697	288	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6064	0.986	10	109.6505	0.697	288	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Al<5>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0950	0.146	6	109.6505	0.697	288	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Al<5>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5323	0.053	4	109.6505	0.697	288	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5491	0.652	29	109.6505	0.697	288	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Fe<7>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2502	0.055	4	109.6505	0.697	288	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Ni<6>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6180	0.062	2	109.6505	0.697	288	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Pd<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5552	0.134	5	109.6505	0.697	288	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Ru<8>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9725	1.139	2	109.6505	0.697	288	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3475	0.019	2	109.6505	0.697	288	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	109.5493	0.042	4	109.6505	0.697	288	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5795	0.006	2	109.6505	0.697	288	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6540	0.466	26	109.6505	0.697	288	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	109.7053	0.041	3	109.6505	0.697	288	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5664	0.897	7	109.6505	0.697	288	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6841	0.031	9	109.6505	0.697	288	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8016	0.078	7	109.6505	0.697	288	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|B<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.9587	0.013	3	109.6505	0.697	288	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7477	0.045	4	109.6505	0.697	288	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6213	0.083	18	109.6505	0.697	288	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Li<3>,1|Zn<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3763	0.023	3	109.6505	0.697	288	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|Al<4>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.9248	0.162	8	109.6505	0.697	288	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.1763	0.146	3	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.1210	0.044	2	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7190	0.040	2	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.7290	0.018	2	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ir<6>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4608	0.877	4	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Rh<8>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.3410	0.035	2	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5361	0.188	21	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.9137	0.624	4	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ir<6>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.9345	0.064	2	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Mn<7>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1380	0.025	3	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7451	0.281	7	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Os<9>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	105.0965	0.605	2	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Pt<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5610	0.021	3	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ru<9>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4407	0.033	3	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.9120	0.000	1	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5972	0.443	21	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|P<3>,2|H<1>}	H(C[6]C[6]2H)	109.5370	0.478	4	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	109.4147	0.916	4	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4948	0.221	9	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.9309	0.885	10	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Al<5>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1390	0.098	6	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Al<5>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5175	0.062	4	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7346	0.549	33	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Fe<7>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3263	0.109	4	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ni<6>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5885	0.059	2	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Pd<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5760	0.131	6	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ru<8>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3670	1.161	2	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4535	0.070	2	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<2>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3628	0.417	4	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<2>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1235	1.222	4	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.3730	0.022	3	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.9000	0.017	2	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.8781	1.070	29	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2505	0.012	2	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4723	0.165	4	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Al<4>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5370	0.044	6	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5307	0.020	3	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<2>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4791	0.055	18	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5735	0.761	1489	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.5922	0.162	12	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.5875	0.188	29	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	109.7539	0.150	16	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4985	0.077	8	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|P<3>,2|H<1>}	H(C[6]C[6]2H)	109.5955	0.037	4	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[6]C[6]2H)	109.5177	1.079	111	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|P<5>,2|H<1>}	H(C[6]C[6]2H)	110.8328	0.139	10	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	109.6259	1.411	27	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5066	0.796	29	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Mo<6>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8017	0.043	4	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Re<6>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8035	0.097	11	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Zn<5>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.1105	1.663	4	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Zn<6>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8143	0.030	4	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6595	0.705	449	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.1840	1.510	2	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Al<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5680	0.044	2	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Al<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7522	0.159	30	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Al<5>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.6800	0.018	4	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4570	0.038	10	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5892	0.040	5	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7610	0.019	4	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4463	0.038	4	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|W<6>,3|H<1>}	H(C[6]C[6]2H)	109.9380	0.044	3	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5277	1.270	189	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Co<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6838	0.039	4	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Co<6>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6785	0.148	22	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Cr<5>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.0010	0.049	4	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Cr<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7421	0.085	15	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Cu<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5074	0.047	7	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Cu<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4134	0.259	8	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Cu<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3334	0.666	12	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Cu<5>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4062	0.038	4	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Fe<6>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5640	0.077	3	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ga<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.0973	1.332	4	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Li<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8167	0.113	13	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Li<5>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1478	2.311	4	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Li<6>,1|C<4>,1|C<5>,2|H<1>}	H(C[6]C[6]2H)	109.7351	0.050	7	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Mg<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8681	0.038	9	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Mg<5>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7537	0.023	4	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Mg<6>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8013	0.118	20	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Mn<6>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6293	0.065	3	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Mo<10>,1|B<6>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8423	0.065	3	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Mo<6>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7097	0.012	4	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ni<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0055	1.185	4	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ni<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6629	0.139	13	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ni<6>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8647	0.127	15	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Pd<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7059	0.057	10	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Pd<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6160	0.174	7	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Pt<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6163	0.093	22	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Pt<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5788	0.244	55	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Pt<5>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7600	0.033	4	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Rh<5>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6350	0.013	3	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ti<7>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.5484	0.040	14	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ti<8>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6750	0.028	2	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Zn<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6883	0.017	3	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Zn<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8472	0.131	6	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Zn<5>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7810	0.022	4	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Zn<6>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6121	0.093	8	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|Al<4>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5721	0.057	8	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6408	0.669	247	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5461	0.350	98	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Si<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7100	0.018	2	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|U<11>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|U<11>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.6795	0.027	4	109.5932	0.571	3382	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[6]HH)(C[6]N[6]HN)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	109.6028	0.034	4	109.6028	0.001	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]N[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3315	0.006	2	109.3315	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]OU)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|U<11>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]OU)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.7138	0.016	4	109.7138	0.000	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5060	0.006	2	109.5060	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|B<4>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5020	0.028	2	109.5705	0.319	86	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7285	0.005	2	109.5705	0.319	86	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4271	0.436	15	109.5705	0.319	86	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2747	0.809	6	109.5705	0.319	86	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4985	0.006	2	109.5705	0.319	86	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7057	1.954	6	109.5705	0.319	86	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6035	0.079	6	109.5705	0.319	86	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6318	0.137	47	109.5705	0.319	86	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CN)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6727	0.165	6	109.6727	0.027	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]CO)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7800	0.024	4	109.9464	0.908	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]CO)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.0573	1.264	6	109.9464	0.908	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5370	0.029	4	109.5919	0.859	235	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6172	0.193	8	109.5919	0.859	235	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5083	0.287	20	109.5919	0.859	235	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7627	0.140	4	109.5919	0.859	235	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<2>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6735	0.036	2	109.5919	0.859	235	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6126	0.124	15	109.5919	0.859	235	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6319	0.182	7	109.5919	0.859	235	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6268	0.112	4	109.5919	0.859	235	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2369	0.637	15	109.5919	0.859	235	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|Ca<6>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6421	0.188	68	109.5919	0.859	235	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|Li<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7405	0.032	4	109.5919	0.859	235	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|Li<4>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5070	2.098	40	109.5919	0.859	235	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|Mo<6>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3882	0.061	17	109.5919	0.859	235	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Ru<6>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4710	0.096	2	109.5919	0.859	235	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7575	0.011	2	109.5919	0.859	235	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.9484	0.753	23	109.5919	0.859	235	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HN)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<2>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HN)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6255	0.033	2	109.6255	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8623	0.505	6	109.8076	0.263	29	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7933	0.525	23	109.8076	0.263	29	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HS)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HS)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6169	0.154	8	109.6169	0.024	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]P[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|P<3>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]P[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9539	0.178	8	108.9539	0.032	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]P[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|P<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]P[6]HH)(H)2{1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8627	0.041	7	108.9951	0.028	16	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]P[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|P<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]P[6]HH)(H)2{1|Pt<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0980	0.155	9	108.9951	0.028	16	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]S[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]S[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0565	0.024	4	109.0213	0.004	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(C[6]S[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]S[6]CH)(H)2{1|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6]2H)	108.9510	0.044	2	109.0213	0.004	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Al<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1830	0.000	1	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|As<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3680	0.037	9	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Au<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3800	0.055	3	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|B<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3452	0.189	96	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|B<4>,1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.5385	0.032	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|B<4>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3877	0.064	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|B<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5690	0.073	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|B<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.5922	0.175	5	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|B<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3766	0.161	107	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|B<6>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3160	0.034	3	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4225	0.106	6	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.3414	0.039	10	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.3270	0.336	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4352	0.043	8	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.6765	0.049	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	112.2415	2.495	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5219	0.387	19	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3601	0.057	14	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4535	0.016	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4060	0.047	8	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.2475	0.076	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.5660	0.029	3	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.0295	0.143	6	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	109.9100	0.462	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4326	0.280	10	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3243	0.396	7	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3514	0.047	7	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1406	1.095	12	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.4640	0.037	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3955	0.008	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|C<5>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7365	0.009	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|C<6>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4963	0.106	8	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.3740	0.000	1	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3078	0.208	57	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4365	0.448	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.6460	0.745	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.5531	0.104	7	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1439	2.105	22	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6]2H)	109.4853	0.050	3	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4580	0.210	8	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.4176	0.065	8	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4720	0.982	10	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3508	0.201	89	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2992	0.552	10	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4380	0.142	25	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4610	0.185	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2410	0.922	21	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.2550	0.080	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.9478	1.018	39	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4153	0.805	95	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Pt<4>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0520	0.270	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3642	0.373	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	113.7015	0.702	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2303	0.885	26	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3867	0.342	129	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.5330	0.030	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4548	0.223	41	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.3140	0.030	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.3769	0.200	81	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.3430	0.218	28	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.7785	0.022	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3148	0.786	722	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4305	0.150	8	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Se<2>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5735	0.033	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4399	0.213	24	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|F<1>,1|P<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.3920	0.263	3	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.2557	2.461	7	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	105.1945	0.111	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.9717	0.782	61	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	109.2283	0.082	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.5075	0.157	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5479	0.269	9	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4527	0.074	8	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4068	0.054	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.5140	0.018	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.5895	0.160	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5378	0.042	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7625	0.168	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.7175	0.016	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.2930	0.076	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|P<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.7500	0.939	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|P<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.9049	4.700	8	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	110.1255	1.032	8	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|S<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.4900	0.018	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.3480	0.006	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	110.4162	1.954	6	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3674	0.122	55	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3971	0.069	14	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.5580	0.047	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.6520	0.020	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9483	1.110	39	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.2780	0.210	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4405	0.093	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.5192	1.717	33	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|B<4>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5557	0.012	3	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3354	0.013	5	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5139	0.827	88	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.4086	1.115	94	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.3850	0.049	9	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.2536	0.983	24	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[6]C[6]2H)	109.4847	0.185	22	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6541	1.641	8	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Se<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.0495	0.136	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6314	0.982	7	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|C<5>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3243	0.063	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.5487	0.123	3	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.5915	0.028	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	112.0120	3.251	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|I<1>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3995	0.049	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|I<1>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5645	0.040	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3255	0.045	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2790	0.000	1	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	108.4620	0.013	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.2585	0.012	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.8425	0.008	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	109.3552	1.459	8	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9030	0.000	1	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3719	1.341	104	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5265	0.136	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	109.3914	0.614	498	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5203	0.567	35	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.3095	0.028	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[6]2H)	109.4455	0.063	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7835	0.023	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3408	0.378	530	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4265	0.008	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|B<4>,1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.5390	0.030	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3738	0.093	12	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6230	0.030	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|B<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4322	0.065	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Br<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3992	0.041	6	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4885	0.119	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4110	0.007	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4055	0.191	8	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3715	0.263	41	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|I<1>,3|H<1>}	H(C[6]C[6]2H)	109.4108	0.033	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	109.3906	0.879	34	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.2950	0.900	1086	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.3161	0.476	80	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.3835	0.367	52	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	109.3096	0.227	5	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	109.5340	0.037	3	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3584	0.680	4717	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Cl<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2150	0.017	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|F<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2360	1.633	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4172	0.127	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Ru<6>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6268	0.121	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3403	0.710	32	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Li<5>,1|C<3>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	109.5270	0.129	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|B<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5082	0.045	5	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4907	0.052	3	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2843	0.164	3	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6]2H)	109.4140	0.007	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	109.4570	0.016	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3965	0.580	79	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.4797	0.594	819	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.2864	0.146	5	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<3>,3|H<1>}	H(C[6]C[6]2H)	109.3498	0.080	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3267	0.559	1130	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5465	0.013	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.3145	0.984	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2825	0.008	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.5475	0.025	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4737	0.107	8	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4173	0.174	81	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|F<1>,1|P<4>,2|H<1>}	H(C[6]C[6]2H)	109.3612	0.357	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	108.6330	7.324	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|S<3>,3|H<1>}	H(C[6]C[6]2H)	109.5290	0.004	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	111.0862	3.130	6	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.4855	0.045	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2405	1.335	24	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4101	0.517	7	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|F<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3535	0.047	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5278	0.104	10	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7386	1.400	12	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5263	0.056	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3888	0.133	9	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.4433	0.741	6	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.3460	0.027	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Br<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3616	0.094	10	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.9496	0.095	5	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	109.3854	0.095	8	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.7242	0.837	10	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3381	0.195	27	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6]2H)	112.6530	0.098	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5897	0.444	48	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.3453	0.146	6	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4812	0.897	240	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	107.7605	0.422	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	109.4993	0.186	7	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<3>,3|H<1>}	H(C[6]C[6]2H)	109.4725	0.025	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[6]2H)	109.4875	0.019	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3476	0.167	181	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6685	0.071	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4550	0.010	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Se<2>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4365	0.039	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4943	0.903	43	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.3670	0.036	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<3>,3|H<1>}	H(C[6]C[6]2H)	109.4296	0.109	8	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3924	0.121	30	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5134	0.145	12	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3129	0.072	11	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3910	0.816	771	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3549	0.182	23	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5003	0.536	6	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	110.2220	0.253	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	109.4622	0.087	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3201	0.593	9555	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Ru<10>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3830	0.024	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<5>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2597	0.313	196	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	110.3415	1.129	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3560	0.020	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3943	0.168	3	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4705	0.091	6	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2864	0.338	30	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7830	1.916	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4195	0.033	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<3>,3|H<1>}	H(C[6]C[6]2H)	109.8189	2.138	35	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4665	0.653	86	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	108.9005	0.050	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.2230	0.017	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3402	0.112	44	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|W<7>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|W<7>,3|H<1>}	H(C[6]C[6]2H)	108.7313	0.225	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3277	0.093	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.4742	0.071	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	109.5640	0.027	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.8323	0.724	8	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3587	0.222	213	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3417	0.112	7	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3300	0.062	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3392	0.518	37	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|H<1>,2|S<2>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3626	0.140	5	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<3>,3|H<1>}	H(C[6]C[6]2H)	110.8430	1.837	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|C<5>,2|H<1>}	H(C[6]C[6]2H)	109.3565	0.012	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	108.2330	4.880	8	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.5046	2.891	8	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Al<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2990	0.017	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|As<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4271	0.031	8	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Au<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4420	0.035	3	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|B<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3949	0.248	85	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|B<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4382	0.159	98	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|B<6>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3270	0.024	3	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Br<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8810	0.388	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4577	0.072	6	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.5750	0.544	17	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.3733	0.064	14	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	109.4537	0.014	3	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4317	0.109	9	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1294	0.869	12	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|C<6>,2|H<1>}	H(C[6]C[6]2H)	109.6239	0.147	8	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.5104	0.581	53	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	110.5249	2.165	21	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4651	0.182	85	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<3>,2|H<1>}	H(C[6]C[6]2H)	109.4364	0.159	22	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3417	1.294	662	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4997	0.102	51	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|C<5>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	109.2552	0.086	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4530	0.016	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	109.3272	0.578	508	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4149	0.668	4525	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.4197	0.499	1075	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4597	0.178	182	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<3>,3|H<1>}	H(C[6]C[6]2H)	109.3201	0.228	29	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<4>,3|H<1>}	H(C[6]C[6]2H)	109.5495	0.117	11	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<2>,3|H<1>}	H(C[6]C[6]2H)	109.4533	0.082	15	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<3>,3|H<1>}	H(C[6]C[6]2H)	109.4261	0.506	758	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	109.3864	0.669	9175	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<5>,3|H<1>}	H(C[6]C[6]2H)	109.3351	0.375	196	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	109.2872	0.435	24	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<3>,3|H<1>}	H(C[6]C[6]2H)	109.4574	0.787	79	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[6]2H)	109.4221	0.071	43	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<2>,2|H<1>}	H(C[6]C[6]2H)	109.4455	0.009	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5612	0.266	200	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.5120	0.103	7	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.4001	0.517	35	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|H<1>,2|S<2>}	H(C[6]C[6]2H)	109.3610	0.123	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0834	1.805	1341	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<5>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4791	0.345	10	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<6>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4232	0.069	8	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Cl<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5678	1.116	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Co<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4093	0.050	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Cr<8>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4870	0.046	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Ge<2>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5493	0.031	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Ir<6>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1470	0.010	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4459	2.029	15	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3767	0.140	7	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Ni<4>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4730	0.021	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5057	1.011	155	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3903	0.011	3	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|P<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5212	0.156	16	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Pt<6>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3243	0.025	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Rh<5>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2022	0.055	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5218	0.054	15	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3565	0.078	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Si<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4411	0.333	71	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Si<5>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4127	0.091	28	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Si<6>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4313	0.078	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Sn<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3557	0.611	118	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Sn<5>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2161	0.138	24	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4179	0.637	1263	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4238	0.889	200	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|Ru<8>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5203	3.099	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<5>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3180	0.131	12	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<5>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Ce<16>,1|C<4>,1|H<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.4337	0.155	9	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<5>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Ce<16>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.6636	0.089	10	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<5>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Ta<12>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.2700	0.038	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<5>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Ti<10>,1|C<4>,1|H<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.3947	0.033	3	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<5>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Ti<13>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5830	0.037	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<5>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|U<17>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7740	0.017	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<5>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Zr<13>,1|C<4>,1|H<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.5797	0.041	6	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<6>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4110	0.132	8	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Ce<16>,1|C<4>,1|H<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<5>,4|H<1>}	H(C[6]C[6]2H)	109.4249	0.187	9	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Ce<16>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<5>,4|H<1>}	H(C[6]C[6]2H)	109.2727	0.143	10	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4090	0.025	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9250	0.526	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Co<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2887	0.133	3	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Co<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3335	0.011	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Cr<6>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Cr<6>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6635	1.503	8	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Cr<6>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Cr<6>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.3254	2.622	8	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Cr<8>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4082	0.232	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Cu<5>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Cu<5>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3240	0.392	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|F<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.5845	0.026	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|F<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	110.3525	1.272	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Ge<2>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3995	0.062	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Ir<6>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5335	0.029	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Li<5>,1|C<3>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	109.3215	0.285	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Mo<7>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Mo<7>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0290	0.526	6	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.2013	0.048	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.5258	0.111	10	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2501	0.125	8	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|I<1>,3|H<1>}	H(C[6]C[6]2H)	109.4715	0.012	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.0482	0.934	13	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.0246	1.256	13	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5198	0.280	8	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Ni<4>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4615	0.162	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Ni<8>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Ni<8>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9815	0.080	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.3738	0.062	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	109.3030	0.000	1	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.2367	0.122	3	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.3990	0.006	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.5810	0.013	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	110.2305	0.411	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2369	1.067	160	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7802	1.571	5	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5670	0.010	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4230	0.064	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|P<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3725	0.163	18	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Pt<4>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0905	0.063	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Pt<6>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2183	0.021	3	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Rh<5>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7430	0.037	3	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Ru<10>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	109.1080	0.008	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Ru<6>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.7585	0.240	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3881	0.138	13	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1590	0.158	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Se<2>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3265	0.029	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Se<2>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.3380	0.061	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Se<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2H)	107.2540	0.059	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Si<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4276	0.573	67	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Si<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3370	0.007	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Si<5>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3830	0.092	27	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Si<6>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3475	0.063	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Sn<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3295	0.406	130	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Sn<5>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3040	0.191	22	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Ta<12>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<5>,4|H<1>}	H(C[6]C[6]2H)	109.5108	0.140	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Ti<10>,1|C<4>,1|H<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<5>,4|H<1>}	H(C[6]C[6]2H)	109.2765	0.074	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Ti<13>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<5>,4|H<1>}	H(C[6]C[6]2H)	109.4490	0.033	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|U<17>,1|C<5>,1|H<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|U<17>,1|C<5>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.2680	0.071	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|U<17>,1|C<5>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|U<17>,1|C<5>,1|H<2>,3|H<1>}	H(C[6]C[6]2H)	109.4925	0.052	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|U<17>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<5>,4|H<1>}	H(C[6]C[6]2H)	109.3067	0.231	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|W<10>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2095	0.029	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Zr<12>,1|C<5>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Zr<12>,1|C<5>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.2719	0.084	8	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Zr<13>,1|C<4>,1|H<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<5>,4|H<1>}	H(C[6]C[6]2H)	109.3343	0.068	7	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Zr<13>,1|C<4>,1|H<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Zr<13>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.8245	0.019	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Zr<13>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Zr<13>,1|C<4>,1|H<2>,2|H<1>}	H(C[6]C[6]2H)	109.4920	0.034	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Zr<14>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Zr<14>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0965	0.130	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4580	0.068	3	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.6591	0.041	9	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.5130	0.166	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.3752	0.103	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.5492	1.862	33	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3338	0.357	50	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.7510	0.024	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.4692	0.084	9	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.2473	0.930	8	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.3558	0.206	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.9916	1.065	10	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3907	0.199	23	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4901	0.088	18	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3643	0.471	33	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	108.7840	1.225	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.5381	0.484	44	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2983	0.757	1313	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Co<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3030	0.011	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5302	0.765	5	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Si<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4255	0.045	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|W<10>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4740	0.006	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5255	0.717	18	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.9612	1.175	5	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4740	0.716	215	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5075	0.021	2	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|Li<5>,2|C<5>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|Li<5>,2|C<5>,2|H<1>}	H(C[6]C[6]2H)	109.4587	0.104	15	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|Ru<8>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.1737	1.742	4	109.3602	0.543	47669	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HfN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Hf<8>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HfN)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.3695	0.016	2	109.3695	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]IrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Ir<6>,1|C<4>,3|H<1>}	C[6](C[6]C[6]IrH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5240	0.044	2	109.5240	0.002	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]LiN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Li<5>,1|C<3>,1|N<4>,2|H<1>}	C[6](C[6]C[6]LiN)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	109.2947	0.372	4	109.2947	0.138	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]MoH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Mo<7>,1|C<4>,3|H<1>}	C[6](C[6]C[6]MoH)(C[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0618	0.507	6	109.5166	0.888	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]MoH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Mo<8>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]MoH)(C[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.1988	1.096	4	109.5166	0.888	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]MoO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Mo<8>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]MoO)(C[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8215	0.607	4	108.8215	0.369	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[3]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2775	0.197	11	109.3315	0.027	22	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[3]H)(C[6]C[6]HH)(H)2{1|Nb<5>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4027	0.101	4	109.3315	0.027	22	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[3]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3757	0.116	7	109.3315	0.027	22	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|B<3>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3263	0.079	15	109.4230	0.109	116	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3842	0.142	27	109.4230	0.109	116	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3577	0.137	11	109.4230	0.109	116	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3415	0.135	8	109.4230	0.109	116	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|Ga<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5172	0.470	49	109.4230	0.109	116	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|In<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2985	0.177	6	109.4230	0.109	116	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4320	0.038	2	109.3482	0.178	816	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.9955	0.040	2	109.3482	0.178	816	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|B<3>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2792	0.080	4	109.3482	0.178	816	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.5795	0.032	8	109.3482	0.178	816	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2445	0.024	4	109.3482	0.178	816	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[6]2H)	109.4175	0.013	2	109.3482	0.178	816	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6]2H)	109.3440	0.105	5	109.3482	0.178	816	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.3077	0.279	14	109.3482	0.178	816	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.0870	0.039	4	109.3482	0.178	816	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|P<2>,4|H<1>}	H(C[6]C[6]2H)	109.4470	0.203	26	109.3482	0.178	816	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5404	0.112	11	109.3482	0.178	816	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3189	0.295	85	109.3482	0.178	816	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4869	0.183	10	109.3482	0.178	816	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4788	0.338	31	109.3482	0.178	816	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2311	0.466	11	109.3482	0.178	816	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3151	0.453	511	109.3482	0.178	816	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|Ga<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6473	1.342	11	109.3482	0.178	816	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|Ge<3>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4547	0.053	3	109.3482	0.178	816	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5123	0.036	3	109.3482	0.178	816	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|Ru<6>,1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6008	0.081	4	109.3482	0.178	816	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|Se<2>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.6935	0.083	4	109.3482	0.178	816	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|Se<2>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4211	0.138	19	109.3482	0.178	816	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4200	0.079	4	109.3482	0.178	816	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3697	0.127	36	109.3482	0.178	816	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6090	0.035	2	109.3482	0.178	816	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]N[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	110.0485	0.818	2	110.0485	0.669	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5870	0.000	1	109.3226	0.372	244	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3820	0.112	3	109.3226	0.372	244	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|B<3>,1|C<2>,1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2992	0.070	6	109.3226	0.372	244	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.9488	0.098	4	109.3226	0.372	244	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1925	0.255	6	109.3226	0.372	244	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4857	0.047	4	109.3226	0.372	244	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2560	0.530	25	109.3226	0.372	244	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2501	0.398	36	109.3226	0.372	244	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3635	0.139	86	109.3226	0.372	244	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|In<4>,1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	109.1780	0.106	2	109.3226	0.372	244	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|In<4>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4413	0.147	12	109.3226	0.372	244	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3371	0.269	15	109.3226	0.372	244	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5165	0.036	2	109.3226	0.372	244	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8919	1.911	18	109.3226	0.372	244	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.5913	1.324	4	109.3226	0.372	244	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4875	0.034	4	109.3226	0.372	244	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|In<4>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4620	0.020	4	109.3226	0.372	244	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|In<5>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5445	0.015	2	109.3226	0.372	244	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5942	0.086	4	109.3226	0.372	244	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4080	0.160	4	109.3226	0.372	244	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2890	0.703	2	109.3226	0.372	244	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]NiC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Ni<8>,2|C<4>,2|H<1>}	C[6](C[6]C[6]NiC)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9290	0.119	4	108.9290	0.014	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]NiH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Ni<5>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]NiH)(C[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.7490	2.049	2	108.9636	1.126	17	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]NiH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Ni<6>,1|C<4>,2|H<1>}	C[6](C[6]C[6]NiH)(C[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1246	0.034	11	108.9636	1.126	17	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]NiH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Ni<9>,1|C<4>,2|H<1>}	C[6](C[6]C[6]NiH)(C[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.6282	0.074	4	108.9636	1.126	17	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]NiO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Ni<4>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]NiO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4688	0.133	4	109.0695	4.410	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]NiO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Ni<5>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]NiO)(C[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.2710	4.482	2	109.0695	4.410	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]P[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<3>,3|H<1>}	C[6](C[6]C[6]P[3]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3713	0.083	8	109.3713	0.007	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<3>,3|H<1>}	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2{1|C<4>,1|P<3>,1|P<4>,4|H<1>}	H(C[6]C[6]2H)	108.0960	1.524	15	108.9714	3.932	73	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<3>,3|H<1>}	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2{1|C<4>,2|P<3>,4|H<1>}	H(C[6]C[6]2H)	108.9611	1.270	22	108.9714	3.932	73	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<3>,3|H<1>}	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2{1|C<4>,2|P<4>,4|H<1>}	H(C[6]C[6]2H)	109.0751	1.415	14	108.9714	3.932	73	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|P<3>,4|H<1>}	H(C[6]C[6]2H)	109.8352	3.900	12	108.9714	3.932	73	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2{1|Cr<6>,1|C<4>,2|P<3>,4|H<1>}	H(C[6]C[6]2H)	108.9070	0.858	4	108.9714	3.932	73	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2{2|C<4>,2|P<3>,4|H<1>}	H(C[6]C[6]2H)	109.2703	0.087	6	108.9714	3.932	73	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<3>,3|H<1>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|As<2>,1|C<4>,1|P<3>,4|H<1>}	H(C[6]C[6]2H)	109.4039	0.115	8	109.2214	0.100	157	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<3>,3|H<1>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|As<3>,1|C<4>,1|P<3>,4|H<1>}	H(C[6]C[6]2H)	109.4196	0.044	5	109.2214	0.100	157	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<3>,3|H<1>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|P<3>,1|P<4>,4|H<1>}	H(C[6]C[6]2H)	109.3243	0.181	16	109.2214	0.100	157	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<3>,3|H<1>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|P<3>,4|H<1>}	H(C[6]C[6]2H)	109.3378	0.139	27	109.2214	0.100	157	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<3>,3|H<1>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|P<4>,4|H<1>}	H(C[6]C[6]2H)	109.3091	0.153	8	109.2214	0.100	157	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8604	0.440	38	109.2214	0.100	157	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2642	0.043	6	109.2214	0.100	157	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|Pd<4>,1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4137	0.067	4	109.2214	0.100	157	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|Pd<4>,1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4160	0.018	4	109.2214	0.100	157	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|Pd<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2983	0.061	7	109.2214	0.100	157	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|Rh<5>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3336	0.171	7	109.2214	0.100	157	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3212	0.073	8	109.2214	0.100	157	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{2|C<4>,2|P<3>,4|H<1>}	H(C[6]C[6]2H)	109.3418	0.100	11	109.2214	0.100	157	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<5>,3|H<1>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|F<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2865	0.107	8	109.2214	0.100	157	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3236	0.086	28	109.3524	0.012	61	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3137	0.055	4	109.3524	0.012	61	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2{1|Pt<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3293	0.034	4	109.3524	0.012	61	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2{2|In<4>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4007	0.138	18	109.3524	0.012	61	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3784	0.118	7	109.3524	0.012	61	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]PdH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Pd<5>,1|C<4>,2|H<1>}	C[6](C[6]C[6]PdH)(C[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3967	0.041	4	109.3967	0.002	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]PtH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Pt<6>,1|C<4>,3|H<1>}	C[6](C[6]C[6]PtH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2350	0.031	4	109.2350	0.001	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]RhH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Rh<5>,1|C<4>,3|H<1>}	C[6](C[6]C[6]RhH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6607	0.028	4	108.6607	0.001	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]Ru2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|Ru<8>,1|C<4>,2|H<1>}	C[6](C[6]C[6]Ru2)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.1135	1.162	4	110.1135	1.350	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Ru<10>,1|C<4>,3|H<1>}	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	109.0810	0.025	2	109.5287	0.140	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Ru<6>,1|C<4>,3|H<1>}	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.7525	0.183	4	109.5287	0.140	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Se<2>,1|C<4>,3|H<1>}	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3090	0.008	2	109.3405	0.002	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Se<2>,1|C<4>,3|H<1>}	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.3720	0.057	2	109.3405	0.002	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Si<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2155	0.509	69	109.2624	0.190	98	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Si<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2640	0.011	2	109.2624	0.190	98	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Si<5>,1|C<4>,3|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3876	0.105	23	109.2624	0.190	98	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Si<6>,1|C<4>,3|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3492	0.067	4	109.2624	0.190	98	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]SnH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Sn<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]SnH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3541	0.404	132	109.3374	0.148	161	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]SnH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Sn<5>,1|C<4>,2|H<1>}	C[6](C[6]C[6]SnH)(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.7455	0.035	2	109.3374	0.148	161	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]SnH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Sn<5>,1|C<4>,3|H<1>}	C[6](C[6]C[6]SnH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2991	0.242	27	109.3374	0.148	161	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]ZrC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Zr<14>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]ZrC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1750	0.152	4	109.1750	0.023	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]ZrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Zr<13>,1|C<4>,1|H<2>,2|H<1>}	C[6](C[6]C[6]ZrH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.7750	0.006	2	109.7750	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]ZrN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Zr<13>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]ZrN)(C[6]C[6]HH)(H)2{1|C<4>,1|H<2>,2|H<1>}	H(C[6]C[6]2H)	109.5800	0.000	1	109.5800	0.000	1	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3741	0.186	100	109.3802	0.034	104	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.4940	0.011	2	109.3802	0.034	104	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.5695	0.030	2	109.3802	0.034	104	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.4032	0.251	4	109.4032	0.063	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)(H)2{1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.3550	0.125	27	109.3696	0.017	29	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)(H)2{4|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.5665	0.016	2	109.3696	0.017	29	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4546	0.042	5	109.3677	0.034	72	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4640	0.051	2	109.3677	0.034	72	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4665	0.052	2	109.3677	0.034	72	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3778	0.169	8	109.3677	0.034	72	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|I<1>,2|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5720	0.042	2	109.3677	0.034	72	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.9665	0.028	2	109.3677	0.034	72	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2410	0.017	2	109.3677	0.034	72	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5140	0.000	1	109.3677	0.034	72	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.5120	0.057	2	109.3677	0.034	72	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6750	0.044	2	109.3677	0.034	72	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3208	0.165	42	109.3677	0.034	72	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6965	0.023	2	109.3677	0.034	72	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]F)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|F<1>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]F)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.5960	0.033	2	109.5965	0.000	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]F)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|F<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]F)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5970	0.007	2	109.5965	0.000	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6]2H)	109.3612	0.074	14	109.3483	0.053	327	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.2982	0.551	27	109.3483	0.053	327	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.3822	0.061	4	109.3483	0.053	327	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3316	0.228	27	109.3483	0.053	327	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3329	0.154	216	109.3483	0.053	327	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.5010	0.101	8	109.3483	0.053	327	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3227	0.143	7	109.3483	0.053	327	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|Se<2>,1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.5140	0.010	2	109.3483	0.053	327	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	110.1700	0.192	2	109.3483	0.053	327	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1615	0.063	2	109.3483	0.053	327	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4445	0.021	2	109.3483	0.053	327	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7730	0.008	2	109.3483	0.053	327	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3125	0.122	2	109.3483	0.053	327	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.4280	0.037	2	109.3483	0.053	327	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.6440	0.021	2	109.3483	0.053	327	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4061	0.072	8	109.3483	0.053	327	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2873	0.006	4	109.5852	1.321	29	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.7685	0.006	2	109.5852	1.321	29	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|N<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3997	0.010	3	109.5852	1.321	29	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5483	0.095	6	109.5852	1.321	29	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6998	1.670	14	109.5852	1.321	29	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6a]C[6]N[6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2037	0.418	4	109.2037	0.175	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	110.0065	1.961	2	109.4809	1.064	52	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3035	0.009	2	109.4809	1.064	52	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4172	0.087	4	109.4809	1.064	52	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.5242	0.216	6	109.4809	1.064	52	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6233	1.874	6	109.4809	1.064	52	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1178	0.493	19	109.4809	1.064	52	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.1173	1.631	9	109.4809	1.064	52	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3840	0.031	4	109.4809	1.064	52	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	110.1445	0.009	2	110.1445	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7544	0.143	5	109.7023	0.040	21	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.5830	0.033	2	109.7023	0.040	21	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6]2H)	109.6315	0.030	2	109.7023	0.040	21	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4855	0.031	6	109.7023	0.040	21	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.9390	0.088	6	109.7023	0.040	21	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.7015	0.046	2	109.5958	0.010	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5253	0.036	3	109.5958	0.010	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[3,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|C<4>}	C[6](C[6]N[3,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.9713	0.042	7	109.9713	0.002	7	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[4,5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[4,5]C[6]H)(C[6]C[6]HH)(H)2{2|Ga<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8540	1.177	4	109.8540	1.386	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7092	0.084	11	109.7893	0.017	24	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.9172	0.064	10	109.7893	0.017	24	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2{2|Ga<4>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6570	0.027	3	109.7893	0.017	24	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[4a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[4a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3645	0.016	2	109.3645	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[5,5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[5,5]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3702	0.125	4	109.3702	0.016	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.0160	0.028	2	109.7375	0.024	13	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5970	0.011	2	109.7375	0.024	13	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|Ga<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7133	0.115	7	109.7375	0.024	13	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.6840	0.011	2	109.7375	0.024	13	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.6977	0.981	4	109.6977	0.962	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[5a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[5a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3623	0.073	3	109.3623	0.005	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.7675	0.039	2	109.3491	0.191	90	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|N<2>,4|H<1>}	H(C[6]C[6]2H)	109.3090	0.013	2	109.3491	0.191	90	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6]2H)	109.3132	0.682	31	109.3491	0.191	90	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3015	0.145	17	109.3491	0.191	90	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|N<2>,3|H<1>}	H(C[6]C[6]2H)	109.6220	0.030	2	109.3491	0.191	90	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.5147	0.048	4	109.3491	0.191	90	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3478	0.254	32	109.3491	0.191	90	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[5a]C[6]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]N[5a]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,2|N<2>,4|H<1>}	H(C[6]C[6]2H)	109.2930	0.083	4	109.2930	0.007	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.6560	0.046	6	109.6383	0.010	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6207	0.142	6	109.6383	0.010	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5102	0.054	5	109.6540	0.016	23	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.6940	0.113	18	109.6540	0.016	23	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3183	0.328	4	109.3183	0.107	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3304	0.379	18	109.3530	0.061	55	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3640	0.154	37	109.3530	0.061	55	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6a]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]N[6a]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.6730	0.082	2	109.6605	0.002	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6a]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]N[6a]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6480	0.011	2	109.6605	0.002	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Co<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3947	0.045	3	109.3424	0.007	7	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Pd<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3032	0.085	4	109.3424	0.007	7	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]Si[5,5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Si<5>,1|C<4>,3|H<1>}	C[6](C[6]Si[5,5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|N<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.3167	0.033	4	109.3167	0.001	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]Si[5]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Si<4>,1|N<3>,3|H<1>}	C[6](C[6]Si[5]N[6]H)(C[6]C[6]HH)(H)2{1|I<1>,2|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.7155	0.023	2	109.7155	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Si<4>,4|H<1>}	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	108.3298	0.049	4	108.6325	0.042	17	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Si<4>,4|H<1>}	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	108.7655	0.114	10	108.6325	0.042	17	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Si<4>,4|H<1>}	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2{2|Cl<1>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5930	0.013	3	108.6325	0.042	17	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HfN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HfN)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Hf<8>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	109.0880	0.021	2	109.0880	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]IrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]IrH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Ir<6>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8840	0.011	2	108.8840	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]IrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]IrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]IrH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]IrH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6852	0.247	4	109.6852	0.061	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]LiN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]LiN)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Li<5>,1|C<3>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	109.3775	0.233	4	109.3775	0.054	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]MoH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]MoH)(C[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Mo<7>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3520	0.309	6	109.2800	0.744	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]MoH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]MoH)(C[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Mo<8>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.1720	1.430	4	109.2800	0.744	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]MoO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]MoO)(C[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Mo<8>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	110.5872	1.942	4	110.5872	3.772	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[3]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.9220	0.075	2	108.9220	0.006	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[3]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3478	0.318	11	109.3856	0.063	23	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[3]H)(C[6]C[6]HH)(H)2{1|Nb<5>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.2703	0.086	4	109.3856	0.063	23	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[3]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4951	0.166	8	109.3856	0.063	23	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|B<3>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5709	0.113	17	109.4414	0.045	126	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4808	0.172	31	109.4414	0.045	126	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.2897	0.237	11	109.4414	0.045	126	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4228	0.149	6	109.4414	0.045	126	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|Ga<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4143	0.241	54	109.4414	0.045	126	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|In<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4161	0.124	7	109.4414	0.045	126	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	111.4060	1.092	2	111.4060	1.192	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|B<3>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4927	0.092	3	109.5777	0.185	849	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.1587	0.023	6	109.5777	0.185	849	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.7857	0.176	3	109.5777	0.185	849	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.6695	0.011	2	109.5777	0.185	849	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4700	0.000	1	109.5777	0.185	849	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	108.6990	0.052	2	109.5777	0.185	849	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.7991	0.144	7	109.5777	0.185	849	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.6348	0.324	13	109.5777	0.185	849	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4483	0.164	4	109.5777	0.185	849	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|P<2>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5729	0.279	28	109.5777	0.185	849	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3916	0.137	12	109.5777	0.185	849	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5272	0.391	84	109.5777	0.185	849	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5109	0.159	10	109.5777	0.185	849	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.6655	0.322	31	109.5777	0.185	849	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4780	0.131	12	109.5777	0.185	849	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.7835	0.009	2	109.5777	0.185	849	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5919	0.423	548	109.5777	0.185	849	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|Ga<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	110.3136	1.602	10	109.5777	0.185	849	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|Ge<3>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.7445	0.076	4	109.5777	0.185	849	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.6500	0.034	4	109.5777	0.185	849	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|Ru<6>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.8585	0.074	4	109.5777	0.185	849	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|Se<2>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3500	0.110	4	109.5777	0.185	849	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|Se<2>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.7730	0.182	16	109.5777	0.185	849	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4180	0.163	3	109.5777	0.185	849	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3678	0.171	36	109.5777	0.185	849	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5430	0.561	2	109.5430	0.315	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	108.6885	0.053	2	108.7317	0.007	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.8180	0.000	1	108.7317	0.007	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5690	0.024	2	109.2880	0.054	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.1475	0.107	4	109.2880	0.054	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|B<3>,1|C<2>,1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4877	0.135	6	109.6263	0.508	250	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3918	0.034	4	109.6263	0.508	250	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4361	0.159	7	109.6263	0.508	250	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3475	0.056	2	109.6263	0.508	250	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.4550	0.271	4	109.6263	0.508	250	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.7122	0.832	26	109.6263	0.508	250	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.6291	0.469	40	109.6263	0.508	250	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4470	0.054	4	109.6263	0.508	250	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.8120	0.176	87	109.6263	0.508	250	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|In<4>,1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.6880	0.014	2	109.6263	0.508	250	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|In<4>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4371	0.162	12	109.6263	0.508	250	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|In<4>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.1028	0.034	6	109.6263	0.508	250	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|In<5>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.2530	0.000	1	109.6263	0.508	250	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.2405	0.006	2	109.6263	0.508	250	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5872	0.251	13	109.6263	0.508	250	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.4528	0.216	4	109.6263	0.508	250	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5425	0.045	2	109.6263	0.508	250	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4741	2.069	18	109.6263	0.508	250	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	110.0457	0.145	4	109.6263	0.508	250	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.2550	1.767	4	109.6263	0.508	250	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	108.0780	0.772	2	109.6263	0.508	250	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2420	0.053	4	109.2420	0.003	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.9273	0.071	4	108.9273	0.005	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]NiC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]NiC)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Ni<8>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8000	0.209	4	108.8000	0.044	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]NiH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]NiH)(C[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Ni<5>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	110.0190	0.815	2	109.3629	0.179	17	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]NiH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]NiH)(C[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Ni<6>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4447	0.066	11	109.3629	0.179	17	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]NiH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]NiH)(C[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Ni<9>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8097	0.019	4	109.3629	0.179	17	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]NiH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]NiH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]NiH)(C[6]C[6]HH)(H)2{1|Ni<5>,1|C<5>,2|H<1>}	C[6](C[6]C[6]NiH)(C[6]C[6]HH)(H)2{1|Ni<5>,1|C<5>,2|H<1>}	H(C[6]C[6]2H)	108.9640	0.006	2	108.9640	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]NiO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]NiO)(C[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Ni<5>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	106.6585	1.613	2	108.4872	2.528	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]NiO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]NiO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Ni<4>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4015	0.050	4	108.4872	2.528	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]P[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]P[3]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<3>,3|H<1>}	H(C[6]C[6]2H)	109.5209	0.095	8	109.5209	0.009	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2{1|C<4>,1|P<3>,1|P<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<3>,3|H<1>}	H(C[6]C[6]2H)	109.6967	1.285	14	109.9098	2.510	73	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2{1|C<4>,2|P<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<3>,3|H<1>}	H(C[6]C[6]2H)	109.4688	0.746	23	109.9098	2.510	73	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2{1|C<4>,2|P<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<3>,3|H<1>}	H(C[6]C[6]2H)	111.3137	2.419	13	109.9098	2.510	73	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|P<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	109.4937	1.727	12	109.9098	2.510	73	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2{1|Cr<6>,1|C<4>,2|P<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	110.2195	1.868	4	109.9098	2.510	73	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2{2|C<4>,2|P<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	109.7141	0.126	7	109.9098	2.510	73	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|As<2>,1|C<4>,1|P<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<3>,3|H<1>}	H(C[6]C[6]2H)	109.2220	0.090	7	109.3108	0.232	150	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|As<3>,1|C<4>,1|P<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<3>,3|H<1>}	H(C[6]C[6]2H)	109.2681	0.091	7	109.3108	0.232	150	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	108.9559	0.820	36	109.3108	0.232	150	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	109.7556	0.066	5	109.3108	0.232	150	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|P<3>,1|P<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<3>,3|H<1>}	H(C[6]C[6]2H)	109.4591	0.197	18	109.3108	0.232	150	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|P<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<3>,3|H<1>}	H(C[6]C[6]2H)	109.2655	0.159	24	109.3108	0.232	150	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|P<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<3>,3|H<1>}	H(C[6]C[6]2H)	109.6460	0.086	7	109.3108	0.232	150	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|F<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<5>,3|H<1>}	H(C[6]C[6]2H)	109.2197	0.097	7	109.3108	0.232	150	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|Pd<4>,1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	109.6910	0.078	4	109.3108	0.232	150	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|Pd<4>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	109.4923	0.031	3	109.3108	0.232	150	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|Pd<4>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	109.5343	0.155	6	109.3108	0.232	150	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|Rh<5>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	109.3779	0.198	7	109.3108	0.232	150	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	109.5541	0.135	7	109.3108	0.232	150	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{2|C<4>,2|P<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	109.5272	0.114	12	109.3108	0.232	150	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	109.5151	0.138	25	109.5548	0.031	55	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	109.5480	0.209	4	109.5548	0.031	55	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2{1|Pt<4>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	109.9120	0.077	4	109.5548	0.031	55	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2{2|In<4>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	109.4535	0.102	14	109.5548	0.031	55	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	109.6809	0.117	8	109.5548	0.031	55	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]PdH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]PdH)(C[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Pd<5>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5733	0.183	3	109.5733	0.034	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]PtH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]PtH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Pt<6>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5968	0.152	4	109.5968	0.023	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]RhH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]RhH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Rh<5>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9817	0.107	3	108.9817	0.011	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]Ru2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]Ru2)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|Ru<8>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7078	2.438	4	108.7078	5.946	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|Ru<6>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6430	0.000	1	108.7974	0.016	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|Ru<8>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8360	0.109	4	108.7974	0.016	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Ru<6>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9380	0.072	4	109.0412	0.029	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Ru<10>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2475	0.022	2	109.0412	0.029	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6164	0.058	7	109.5869	0.005	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.5855	0.011	2	109.5869	0.005	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4850	0.025	2	109.5869	0.005	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|Se<2>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	109.4317	0.182	3	109.4317	0.033	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Se<2>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3305	0.009	2	109.3762	0.003	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Se<2>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4220	0.023	2	109.3762	0.003	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Si<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]2H)	109.5035	0.094	2	109.5035	0.009	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Si<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3278	0.639	68	109.2979	0.292	96	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Si<5>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2242	0.092	22	109.2979	0.292	96	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Si<6>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2748	0.038	4	109.2979	0.292	96	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Si<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1355	0.013	2	109.2979	0.292	96	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]SnH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]SnH)(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Sn<5>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5855	0.056	2	109.1422	0.180	147	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]SnH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]SnH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Sn<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1152	0.452	119	109.1422	0.180	147	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]SnH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]SnH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Sn<5>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3086	0.176	26	109.1422	0.180	147	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ZrC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]ZrC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Zr<14>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3010	0.063	4	109.3010	0.004	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ZrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]ZrH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Zr<13>,1|C<4>,1|H<2>,2|H<1>}	H(C[6]C[6]2H)	109.2720	0.000	1	109.2720	0.000	1	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	109.3895	0.037	2	109.3895	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6]HH)2(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.0815	0.097	2	108.8815	0.143	109	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.8435	0.019	2	108.8815	0.143	109	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.8784	0.384	105	108.8815	0.143	109	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,6|C<3>}	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,6|C<3>}	H(C[6]C[6]2H)	108.9116	0.105	90	108.9116	0.011	90	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7560	0.303	4	108.7560	0.092	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	109.5820	0.082	4	109.5820	0.007	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)(H)2{1|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0545	0.215	23	109.0727	0.052	24	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)(H)2{4|H<1>,5|C<3>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.4920	0.000	1	109.0727	0.052	24	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7237	0.147	16	108.7883	0.035	20	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0470	0.041	4	108.7883	0.035	20	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.9575	0.029	2	109.7074	0.053	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.5407	0.038	3	109.7074	0.053	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	109.2070	0.010	2	109.2070	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.6225	0.018	2	108.8861	0.080	72	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9785	0.016	2	108.8861	0.080	72	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0765	0.009	2	108.8861	0.080	72	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|I<1>,2|C<3>}	H(C[6]C[6]2H)	108.9025	0.037	2	108.8861	0.080	72	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.4155	0.021	2	108.8861	0.080	72	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.6850	0.038	2	108.8861	0.080	72	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|C<3>}	H(C[6]C[6]2H)	108.6970	0.008	2	108.8861	0.080	72	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1179	0.070	7	108.8861	0.080	72	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8337	0.078	7	108.8861	0.080	72	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.8435	0.296	40	108.8861	0.080	72	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	108.4595	0.019	2	108.8861	0.080	72	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{3|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.3610	0.040	2	108.8861	0.080	72	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{2|C<4>,4|C<3>}	H(C[6]C[6]2H)	109.7355	0.880	2	109.7355	0.775	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]F)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]F)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|F<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1410	0.000	1	109.4740	0.222	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]F)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]F)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)2(H)2{1|F<1>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.8070	0.000	1	109.4740	0.222	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.1460	0.011	2	109.1460	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.7333	1.173	24	109.6157	1.109	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2124	0.159	7	109.6157	1.109	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3242	0.138	10	109.3242	0.019	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2601	0.116	8	109.2601	0.013	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|F<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4300	0.122	2	109.4300	0.015	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2027	1.543	30	109.2027	2.382	30	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|F<1>,2|H<1>}	H(C[6]C[6]2H)	109.5117	0.058	4	109.4915	0.038	16	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3695	0.128	4	109.4915	0.038	16	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2530	0.056	3	109.4915	0.038	16	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|S<3>,2|C<3>}	H(C[6]C[6]2H)	109.6715	0.018	2	109.4915	0.038	16	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.7457	0.083	3	109.4915	0.038	16	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.6260	0.027	2	109.9076	0.537	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.6110	0.030	2	109.9076	0.537	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]2H)	109.7135	0.025	2	109.9076	0.537	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	111.1860	0.798	2	109.9076	0.537	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4015	0.019	2	109.9076	0.537	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	109.6155	0.168	6	109.6155	0.028	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	109.4220	0.000	1	109.2670	0.018	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	109.1895	0.012	2	109.2670	0.018	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]S[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|S<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]S[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<1>}	H(C[6]C[6]2H)	108.7880	0.153	2	108.7880	0.023	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3841	0.083	14	109.3555	0.073	331	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5680	0.541	32	109.3555	0.073	331	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6492	0.043	4	109.3555	0.073	331	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2890	0.025	2	109.3555	0.073	331	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3900	0.116	6	109.3555	0.073	331	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1137	0.257	26	109.3555	0.073	331	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3467	0.147	219	109.3555	0.073	331	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2285	0.057	2	109.3555	0.073	331	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	109.4530	0.037	2	109.3555	0.073	331	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1946	0.066	8	109.3555	0.073	331	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	110.7610	0.486	2	109.3555	0.073	331	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6160	0.049	2	109.3555	0.073	331	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1317	0.080	7	109.3555	0.073	331	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2030	0.027	2	109.3555	0.073	331	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|Se<2>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0590	0.000	1	109.3555	0.073	331	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.3345	0.012	2	109.3555	0.073	331	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5007	0.143	3	109.5007	0.020	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2420	0.071	4	109.2420	0.005	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.7881	0.117	7	108.7881	0.014	7	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	108.9837	0.018	3	109.3527	1.422	27	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|N<4>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.1433	0.022	3	109.3527	1.422	27	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0440	0.316	5	109.3527	1.422	27	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6106	1.630	14	109.3527	1.422	27	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	109.1870	0.025	2	109.3527	1.422	27	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]N[6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	109.3683	0.460	4	109.3683	0.212	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]Ni)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]Ni)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]Ni)(C[6]C[6]HH)(H)2{1|Ni<5>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]Ni)(C[6]C[6]HH)(H)2{1|Ni<5>,1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.8427	1.915	4	108.8427	3.667	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|O<2>}	H(C[6]C[6]2H)	109.0975	0.036	2	109.0975	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>}	H(C[6]C[6]2H)	109.2593	0.185	3	109.2593	0.034	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.1723	0.027	4	109.0890	0.556	53	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.0967	0.163	3	109.0890	0.556	53	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0083	0.052	4	109.0890	0.556	53	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.2873	1.342	6	109.0890	0.556	53	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.9266	0.468	22	109.0890	0.556	53	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	110.0165	2.541	2	109.0890	0.556	53	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.1279	0.829	10	109.0890	0.556	53	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{3|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.1420	0.031	2	109.0890	0.556	53	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3810	0.075	4	109.3810	0.006	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.0756	0.191	17	109.0756	0.037	17	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]S)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]S)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	109.0951	0.354	7	109.0951	0.125	7	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]S)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]S)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	109.4673	0.043	4	109.4673	0.002	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|N<3>,3|C<3>}	H(C[6]C[6]2H)	109.4145	0.026	2	109.4145	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.3315	0.022	2	108.3315	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|S<4>,2|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.1273	0.158	3	108.9139	0.109	7	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{3|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.7537	0.350	4	108.9139	0.109	7	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.9878	0.025	4	109.2977	0.089	15	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4975	0.045	2	109.2977	0.089	15	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3894	0.342	7	109.2977	0.089	15	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3970	0.013	2	109.2977	0.089	15	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|F<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.8885	0.025	2	109.8885	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	109.5350	0.011	2	109.6769	0.080	7	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	109.7336	0.325	5	109.6769	0.080	7	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	109.6340	0.020	2	109.3186	0.048	23	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.9908	0.075	5	109.3186	0.048	23	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.6580	0.052	2	109.3186	0.048	23	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3768	0.049	8	109.3186	0.048	23	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2960	0.050	6	109.3186	0.048	23	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{2|C<4>,4|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.1565	1.521	2	109.1565	2.313	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|O<2>}	H(C[6]C[6]2H)	109.3805	0.008	2	109.3805	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6795	0.059	2	109.6795	0.003	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.9165	0.021	2	109.7802	0.026	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.6440	0.044	2	109.7802	0.026	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.5005	0.052	4	109.5218	0.004	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.6070	0.000	1	109.5218	0.004	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[3,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]N[3,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|C<4>}	H(C[6]C[6]2H)	108.6436	0.103	8	108.6436	0.011	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[3x6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.5095	0.044	4	109.5095	0.002	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[4,5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]N[4,5]C[6]H)(C[6]C[6]HH)(H)2{2|Ga<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	110.0637	0.815	4	110.0637	0.664	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[4,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[4,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	109.1260	0.007	2	109.1260	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.0345	0.192	6	109.1314	0.059	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4220	0.013	2	109.1314	0.059	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.4506	0.093	8	109.4198	0.041	24	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.3630	0.268	12	109.4198	0.041	24	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2{2|Ga<4>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.5285	0.032	4	109.4198	0.041	24	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[4a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]N[4a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4682	0.056	4	109.4682	0.003	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,5]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.6568	0.119	4	109.6568	0.014	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	110.2472	0.727	8	110.2472	0.529	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	109.5088	0.098	8	109.5088	0.010	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1850	0.006	2	109.1850	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.6390	0.057	2	109.6390	0.003	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.6220	0.000	1	109.0127	0.540	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0386	0.162	7	109.0127	0.540	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5650	0.891	4	109.0127	0.540	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|I<1>}	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.1340	0.088	4	109.1340	0.008	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]C[6a]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6a]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	109.0793	0.065	4	109.0793	0.004	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]HH)(H)2	C[6](C[6]Si[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]HH)(H)2{1|Si<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]Si[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|O<2>}	H(C[6]C[6]2H)	109.1573	0.107	4	109.1573	0.012	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6570	0.008	2	109.6570	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3665	0.025	2	109.7545	0.416	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.1425	0.804	2	109.7545	0.416	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.7450	0.061	6	109.6359	0.045	14	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5717	0.296	6	109.6359	0.045	14	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.5010	0.023	2	109.6359	0.045	14	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.5930	4.197	2	109.2380	2.078	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.3460	0.037	2	109.2380	2.078	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4185	0.026	2	109.2380	2.078	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4163	0.105	4	109.2380	2.078	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.5895	0.013	2	109.5895	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.2808	0.356	14	109.3390	0.038	86	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3610	0.000	1	109.3390	0.038	86	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.2860	0.053	4	109.3390	0.038	86	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4343	0.229	4	109.3390	0.038	86	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4488	0.058	4	109.3390	0.038	86	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3102	0.124	4	109.3390	0.038	86	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3615	0.143	51	109.3390	0.038	86	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.1270	0.043	4	109.3390	0.038	86	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.6660	0.041	2	109.3257	0.071	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.1555	0.040	4	109.3257	0.071	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3741	0.059	9	109.3741	0.003	9	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.4260	0.021	2	109.3465	0.014	15	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.3890	0.132	2	109.3465	0.014	15	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|Ga<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.3461	0.128	8	109.3465	0.014	15	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.2660	0.111	3	109.3465	0.014	15	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.2883	0.409	24	109.2883	0.168	24	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>}	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.4960	0.000	1	109.6814	0.044	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.7755	0.202	4	109.6814	0.044	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.8180	0.010	2	109.6814	0.044	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.5653	0.230	4	109.6814	0.044	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.9423	0.368	6	108.9423	0.136	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.9635	0.019	2	110.5974	7.468	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	111.1420	3.005	6	110.5974	7.468	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	110.4700	1.033	4	110.4700	1.068	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.4889	0.046	7	109.4889	0.002	7	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.4257	0.040	4	109.4257	0.002	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|N<2>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	110.0385	0.025	2	110.0385	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	110.0296	1.071	30	109.7427	0.464	87	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|N<2>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.7245	0.056	2	109.7427	0.464	87	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.7279	0.195	18	109.7427	0.464	87	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|N<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.6650	0.023	2	109.7427	0.464	87	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5013	0.057	3	109.7427	0.464	87	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5151	0.236	30	109.7427	0.464	87	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.4420	0.027	2	109.7427	0.464	87	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]N)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,2|N<2>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.4767	0.140	4	109.4767	0.019	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	110.1176	0.009	5	109.9389	0.055	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.7602	0.207	5	109.9389	0.055	10	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	111.2880	0.051	2	111.2880	0.003	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	111.4990	2.220	2	111.4990	4.930	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0125	0.035	4	109.5756	4.139	16	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	110.5687	3.226	6	109.5756	4.139	16	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.7407	0.080	4	109.5756	4.139	16	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3925	0.019	2	109.5756	4.139	16	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	109.4090	0.044	2	109.4090	0.002	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]C[5a]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]C[5a]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	109.5060	0.157	4	109.5060	0.025	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	109.3560	0.023	2	109.3560	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]B[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Cr<9>,1|B<4>,1|C<4>,2|H<1>}	C[6](C[6]B[6,6]HH)(C[6]C[6]HH)(H)2{1|Cr<9>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	109.3905	0.109	4	109.3905	0.012	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.3250	0.000	1	109.3360	0.000	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.3415	0.012	2	109.3360	0.000	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.3890	0.042	12	109.3890	0.002	12	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	110.8650	1.172	2	109.9820	0.615	7	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.6288	0.180	5	109.9820	0.615	7	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4120	0.013	2	109.4120	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.4770	1.222	2	109.5277	1.105	298	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5784	0.133	27	109.5277	1.105	298	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	110.1623	1.198	6	109.5277	1.105	298	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4977	1.397	16	109.5277	1.105	298	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.5680	0.171	3	109.5277	1.105	298	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.2620	0.000	1	109.5277	1.105	298	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5350	0.011	2	109.5277	1.105	298	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5195	0.009	2	109.5277	1.105	298	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Cu<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.2379	0.616	12	109.5277	1.105	298	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Cu<5>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	108.5507	0.596	8	109.5277	1.105	298	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Hg<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.5200	0.386	4	109.5277	1.105	298	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Li<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.4670	0.315	30	109.5277	1.105	298	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Ni<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.5570	0.193	4	109.5277	1.105	298	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Pd<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.5261	1.844	59	109.5277	1.105	298	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Pd<5>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	110.9723	3.525	4	109.5277	1.105	298	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Rh<6>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.5573	0.412	4	109.5277	1.105	298	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Zn<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.4825	0.177	12	109.5277	1.105	298	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4805	0.018	2	109.5277	1.105	298	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4395	0.440	36	109.5277	1.105	298	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.5780	0.101	4	109.5277	1.105	298	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5180	0.034	2	109.5277	1.105	298	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.6117	0.151	19	109.5277	1.105	298	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.5784	0.547	31	109.5277	1.105	298	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	110.3432	1.310	4	109.5277	1.105	298	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.5213	0.202	4	109.5277	1.105	298	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4737	0.072	3	109.4596	0.003	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4385	0.022	2	109.4596	0.003	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.5095	0.334	6	109.3757	0.037	23	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.3284	0.083	17	109.3757	0.037	23	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.5250	0.007	2	109.5250	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,1|P<4>,2|H<1>}	H(C[6]C[6]2H)	108.7392	1.993	4	109.5350	8.637	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,1|P<4>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	110.3307	3.807	4	109.5350	8.637	8	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6,6]HN)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.5643	0.069	3	109.5643	0.005	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]N[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.6620	0.154	5	109.6620	0.024	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HN)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HN)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(C[6]C[6]2H)	109.5340	0.030	2	109.5340	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>}	H(C[6]C[6]2H)	109.4616	0.203	5	109.4616	0.041	5	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.8553	0.999	11	108.8553	0.999	11	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.0583	0.391	4	109.0583	0.153	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5507	0.148	17	109.6461	0.042	58	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.6857	0.214	41	109.6461	0.042	58	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6a]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6a]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|O<2>}	H(C[6]C[6]2H)	109.9120	0.007	2	109.9120	0.000	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6a]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6a]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.7550	0.044	6	109.7550	0.002	6	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6a]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6a]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	110.0735	0.029	2	110.0023	0.007	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6a]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6a]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.9310	0.013	2	110.0023	0.007	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]P[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]P[5,6]HH)(C[6]C[6]HH)(H)2{1|S<1>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	109.5093	3.228	4	109.5093	10.420	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Co<4>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	109.4723	0.109	4	109.4646	0.006	7	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Pd<4>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	109.4543	0.037	3	109.4646	0.006	7	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]Si[5,5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]Si[5,5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|N<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Si<5>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3360	0.011	3	109.3360	0.000	3	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]Si[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]Si[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H)2{1|Si<4>,1|B<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.0235	0.180	2	108.0235	0.033	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]Si[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]Si[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]HH)(H)2{1|Si<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0935	0.120	4	109.0935	0.014	4	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]Si[5]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]Si[5]N[6]H)(C[6]C[6]HH)(H)2{1|I<1>,2|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[6]HH)2(H)2{1|Si<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.2475	0.039	2	109.2475	0.002	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.1030	0.030	2	109.1030	0.001	2	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[6]HH)2(H)2{1|Si<4>,4|H<1>}	H(C[6]C[6]2H)	109.1300	0.246	4	108.8134	0.075	19	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)2(H)2{1|Si<4>,4|H<1>}	H(C[6]C[6]2H)	108.6856	0.232	11	108.8134	0.075	19	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2{2|Cl<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Si<4>,4|H<1>}	H(C[6]C[6]2H)	108.8483	0.130	4	108.8134	0.075	19	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2{1|Pd<3>,3|Si<4>,1|C<3>}	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2{1|Pd<3>,3|Si<4>,1|C<3>}	H(C[6]C[6]2H)	107.5752	0.036	4	107.9340	0.048	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2{1|Si<2>,3|Si<4>}	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2{1|Si<3>,2|Si<4>}	H(C[6]C[6]2H)	108.1185	0.011	2	107.9340	0.048	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2{1|Si<3>,2|Si<4>,1|C<3>}	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2{1|Si<3>,2|Si<4>,1|C<3>}	H(C[6]C[6]2H)	107.9243	0.052	4	107.9340	0.048	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2{1|Si<3>,2|Si<4>,1|C<3>}	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2{1|Si<3>,3|Si<4>}	H(C[6]C[6]2H)	107.8620	0.010	2	107.9340	0.048	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2{1|Si<3>,2|Si<4>}	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2{1|Si<2>,3|Si<4>}	H(C[6]C[6]2H)	107.8470	0.018	2	107.9340	0.048	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2{1|Si<3>,3|Si<4>}	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2{1|Si<3>,2|Si<4>,1|C<3>}	H(C[6]C[6]2H)	107.7130	0.025	2	107.9340	0.048	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2{1|Si<3>,3|Si<4>}	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2{1|Si<3>,3|Si<4>}	H(C[6]C[6]2H)	108.0609	0.028	7	107.9340	0.048	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2{1|Si<3>,3|Si<4>}	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2{2|Si<3>,2|Si<4>}	H(C[6]C[6]2H)	108.3015	0.045	4	107.9340	0.048	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2{2|Si<3>,2|Si<4>}	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2{1|Si<3>,3|Si<4>}	H(C[6]C[6]2H)	107.8110	0.060	4	107.9340	0.048	31	109.3750	0.557	125119	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HI)(H)2	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)(I)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HI)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)(I){5|C<4>}	H(C[6]C[6]2H)	108.7790	0.013	2	108.7790	0.000	2	109.3537	0.957	38	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HI)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)(I)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HI)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)(I){1|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.1885	0.036	6	109.1885	0.001	6	109.3537	0.957	38	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HI)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)(I)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HI)(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)(I){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8630	0.036	4	109.7400	0.026	7	109.3537	0.957	38	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HI)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)(I)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HI)(H)2{5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)(I){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5760	0.080	3	109.7400	0.026	7	109.3537	0.957	38	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HI)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)(I)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HI)(H)2{2|O<2>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)(I){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	109.8050	0.038	2	109.8050	0.001	2	109.3537	0.957	38	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)(I)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)(I){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7155	0.036	2	109.7155	0.001	2	109.3537	0.957	38	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)(I)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)(I){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.1135	0.012	2	109.1135	0.000	2	109.3537	0.957	38	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)(I)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)(I){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6950	0.014	2	109.6950	0.000	2	109.3537	0.957	38	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)(I)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)(I){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5055	0.049	4	109.5055	0.002	4	109.3537	0.957	38	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)(I)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)(I){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.1298	0.043	4	109.1298	0.002	4	109.3537	0.957	38	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2	C[6](C[6]C[6]HH)2(H)(I)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)(I){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8197	0.204	4	109.8197	0.041	4	109.3537	0.957	38	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[6]HI)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(H)(I)	H(C[6]C[6]2H)	C[6](C[6]C[6]HI)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)(I){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	112.1790	0.000	1	112.1790	0.000	1	109.3537	0.957	38	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[6]HI)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)(I)	H(C[6]C[6]2H)	C[6](C[6]C[6]HI)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)2(H)(I){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	105.9570	0.031	2	105.9570	0.001	2	109.3537	0.957	38	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6595	0.074	4	109.4144	0.098	8	109.7029	1.833	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1693	0.251	4	109.4144	0.098	8	109.7029	1.833	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	111.2210	3.531	2	111.2210	12.470	2	109.7029	1.833	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)(O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.3390	1.213	2	109.3390	1.472	2	109.7029	1.833	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3203	0.035	4	109.3203	0.001	4	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2{1|Fe<10>,3|H<1>,4|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3786	0.230	9	109.3481	0.032	16	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2{1|Ti<12>,3|H<1>,4|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3090	0.087	7	109.3481	0.032	16	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5537	0.074	3	109.3203	0.063	7	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1453	0.162	4	109.3203	0.063	7	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3612	0.066	4	109.3612	0.004	4	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9347	1.943	4	108.9347	3.776	4	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1022	0.042	4	109.1022	0.002	4	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1159	0.469	60	109.1159	0.220	60	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.9435	0.040	2	107.9435	0.002	2	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1580	0.017	2	109.1746	0.066	42	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4680	0.188	11	109.1746	0.066	42	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0481	0.176	28	109.1746	0.066	42	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5220	0.000	1	109.1746	0.066	42	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1905	0.008	2	109.2326	0.131	242	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3692	0.161	110	109.2326	0.131	242	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1177	0.439	130	109.2326	0.131	242	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]FF)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]2H)	109.4535	0.222	12	109.4535	0.049	12	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6]2H)	109.0015	0.029	2	109.0015	0.001	2	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]B[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]B[6]CH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	107.8918	1.802	4	107.5688	2.953	6	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]B[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]B[6]CH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	106.9230	1.942	2	107.5688	2.953	6	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]B[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]B[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.3795	0.359	2	108.3795	0.129	2	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2980	0.538	4	109.1321	0.297	18	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.0846	0.558	14	109.1321	0.297	18	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]BH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]BH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3920	0.033	14	109.3920	0.001	14	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3358	0.325	4	109.3518	0.293	106	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3525	0.549	102	109.3518	0.293	106	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3925	0.056	2	109.2696	0.192	239	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|F<1>,1|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5870	0.033	2	109.2696	0.192	239	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2920	0.065	2	109.2696	0.192	239	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2643	0.445	230	109.2696	0.192	239	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5840	0.000	1	109.2696	0.192	239	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2555	0.005	2	109.2696	0.192	239	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1865	0.185	8	109.1865	0.034	8	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	109.5685	0.039	2	109.1773	1.311	298	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2578	0.449	12	109.1773	1.311	298	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3920	0.000	1	109.1773	1.311	298	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2040	0.037	2	109.1773	1.311	298	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7362	0.252	6	109.1773	1.311	298	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3490	0.000	1	109.1773	1.311	298	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2205	0.026	2	109.1773	1.311	298	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.2769	1.602	12	109.1773	1.311	298	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6038	0.855	4	109.1773	1.311	298	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4460	0.008	2	109.1773	1.311	298	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1824	1.286	198	109.1773	1.311	298	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3836	0.568	34	109.1773	1.311	298	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.6885	1.354	2	109.1773	1.311	298	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3490	0.000	1	109.1773	1.311	298	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4732	0.284	18	109.1773	1.311	298	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5590	0.000	1	109.1773	1.311	298	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0190	0.030	4	109.0190	0.001	4	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HW)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|W<6>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HW)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3623	0.090	3	109.3623	0.008	3	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]OU)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|U<11>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]OU)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.6240	0.037	4	109.6240	0.001	4	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]BH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]BH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4603	0.083	6	109.4603	0.007	6	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4032	0.154	13	109.4032	0.024	13	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3240	0.102	2	109.3240	0.010	2	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.1710	0.000	1	109.1710	0.000	1	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.1923	0.038	3	109.1923	0.001	3	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5898	1.060	4	109.2895	0.251	26	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4167	0.168	22	109.2895	0.251	26	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.6200	1.000	4	108.6200	1.000	4	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2338	0.191	8	109.0012	0.738	12	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5360	1.479	4	109.0012	0.738	12	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2709	0.216	16	109.2709	0.047	16	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.1750	0.144	81	109.1750	0.021	81	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.3068	0.142	18	109.3068	0.020	18	109.2196	0.466	1283	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]P[6]FH)(H)2	C[6](C[6]C[6]HH)(P[6]O[6]OO)(F)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]P[6]FH)(H)2{1|O<2>,2|H<1>,2|O<1>}	C[6](C[6]C[6]HH)(P[6]O[6]OO)(F)(H){1|C<4>,1|H<1>,1|N<4>}	H(C[6]C[6]2H)	108.5510	0.006	4	108.5510	0.000	4	108.5510	0.000	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]P[6]HH)2(H)2	C[6](C[6]C[6]HH)(P[6]C[6]OO)(H)2	H(C[6]C[6]2H)	C[6](C[6]P[6]HH)2(H)2{1|C<4>,2|O<1>,2|O<2>}	C[6](C[6]C[6]HH)(P[6]C[6]OO)(H)2{1|P<4>,4|H<1>}	H(C[6]C[6]2H)	108.8270	0.020	3	108.8270	0.000	3	108.8270	0.000	3	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)(S[6]C[6]OO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]S[6]HH)(H)2{1|N<4>,2|C<4>,2|O<1>}	C[6](C[6]C[6]HH)(S[6]C[6]OO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2345	0.021	2	109.2345	0.000	2	108.9186	1.804	20	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)(S[6]C[6]OO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]S[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<1>}	C[6](C[6]C[6]HH)(S[6]C[6]OO)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0712	0.045	4	108.9517	0.036	6	108.9186	1.804	20	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)(S[6]C[6]OO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]S[6]HH)(H)2{1|C<4>,3|O<1>}	C[6](C[6]C[6]HH)(S[6]C[6]OO)(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.7125	0.012	2	108.9517	0.036	6	108.9186	1.804	20	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)(S[6]N[6]CO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]S[6]HH)(H)2{1|C<4>,1|N<2>,2|O<1>}	C[6](C[6]C[6]HH)(S[6]N[6]CO)(H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[6]2H)	109.1405	0.008	2	109.1405	0.000	2	108.9186	1.804	20	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HS)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)(S[6]N[6]OO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HS)(C[6]S[6]HH)(H)2{1|N<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6]HH)(S[6]N[6]OO)(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]2H)	109.4855	0.018	2	109.4855	0.000	2	108.9186	1.804	20	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]OO)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)(S[6]C[6]NO)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]OO)(C[6]S[6]HH)(H)2{1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6]NO)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	108.9815	0.052	4	108.9815	0.003	4	108.9186	1.804	20	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)2(H)2	C[6](C[6]C[6]HH)(S[6]C[6]OO)(H)2	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)2(H)2{1|C<4>,4|O<1>}	C[6](C[6]C[6]HH)(S[6]C[6]OO)(H)2{1|S<4>,4|H<1>}	H(C[6]C[6]2H)	108.2535	3.233	4	108.2535	10.449	4	108.9186	1.804	20	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2	C[6](N[4,6]B[4]C[4]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6](N[4,6]B[4]C[4]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|B<3>,1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5065	0.075	8	109.4455	0.024	12	109.4298	0.030	26	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2	C[6](N[4,6]B[4]C[4]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](N[4,6]B[4]C[4]C[6])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.3235	0.215	4	109.4455	0.024	12	109.4298	0.030	26	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2	C[6](N[4,6]C[4,5]B[4]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6](N[4,6]C[4,5]B[4]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|F<1>,4|H<1>}	H(C[6]C[6]2H)	109.4307	0.069	3	109.4307	0.005	3	109.4298	0.030	26	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2	C[6](N[4,6]C[4,6,6]B[4]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](N[4,6]C[4,6,6]B[4]C[6])(C[6]C[6]HH)(H)2{2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3890	0.265	4	109.3890	0.070	4	109.4298	0.030	26	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2	C[6](N[4,6]C[4,6]B[4]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](N[4,6]C[4,6]B[4]C[6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3163	0.311	3	109.3163	0.097	3	109.4298	0.030	26	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2	C[6](N[4,6]Ga[4]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2{2|Ga<4>,1|C<4>,2|H<1>}	C[6](N[4,6]Ga[4]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,8|H<1>}	H(C[6]C[6]2H)	109.5078	0.036	4	109.5078	0.001	4	109.4298	0.030	26	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]N[5,6,6]HH)(H)2	C[6](N[5,6,6]C[5,5,4x6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HH)(C[6]N[5,6,6]HH)(H)2{1|H<1>,4|C<4>}	C[6](N[5,6,6]C[5,5,4x6]C[5,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9735	0.025	2	108.9735	0.001	2	109.5960	0.073	15	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](N[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6,6]HH)(C[6]N[6,6]HH)(H)2{4|C<4>}	C[6](N[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|N<4>,2|C<4>,7|H<1>}	H(C[6]C[6]2H)	109.7031	0.129	8	109.7031	0.017	8	109.5960	0.073	15	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6,6]HH)2(H)2	C[6](N[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6,6]HH)2(H)2{5|C<4>}	C[6](N[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|N<4>,2|C<4>,7|H<1>}	H(C[6]C[6]2H)	109.6736	0.031	5	109.6736	0.001	5	109.5960	0.073	15	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]N[5,6]HH)(H)2{1|H<1>,4|C<4>}	C[6](N[5,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3140	0.011	2	109.4783	0.036	4	109.3192	0.058	45	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]N[5,6]HH)(H)2{2|H<1>,3|C<4>}	C[6](N[5,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6425	0.012	2	109.4783	0.036	4	109.3192	0.058	45	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]CH)(H)2	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.2255	0.006	2	109.2255	0.000	2	109.3192	0.058	45	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]B[5,5a]C[5,5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6](N[5,6]B[5,5a]C[5,5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4165	0.057	2	109.4165	0.003	2	109.3192	0.058	45	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]B[5]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](N[5,6]B[5]C[5]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<4>,7|H<1>}	H(C[6]C[6]2H)	109.3910	0.127	2	109.3910	0.016	2	109.3192	0.058	45	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.1280	0.014	4	109.1285	0.000	8	109.3192	0.058	45	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1290	0.023	4	109.1285	0.000	8	109.3192	0.058	45	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](N[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.4648	0.059	4	109.4648	0.003	4	109.3192	0.058	45	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](N[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6545	0.005	2	109.6545	0.000	2	109.3192	0.058	45	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](N[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{3|C<4>,8|H<1>}	H(C[6]C[6]2H)	109.3007	0.049	3	109.3007	0.002	3	109.3192	0.058	45	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]Ga[5]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|Ga<4>,2|C<4>,2|H<1>}	C[6](N[5,6]Ga[5]C[5]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|Ga<4>,1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.2608	0.068	4	109.3225	0.012	6	109.3192	0.058	45	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5,6]Ga[5]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|Ga<4>,2|C<4>,2|H<1>}	C[6](N[5,6]Ga[5]C[5]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<4>,7|H<1>}	H(C[6]C[6]2H)	109.4460	0.011	2	109.3225	0.012	6	109.3192	0.058	45	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)2(H)2	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)2(H)2{1|H<1>,3|C<4>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,6|H<1>}	H(C[6]C[6]2H)	109.2792	0.380	12	109.2792	0.145	12	109.3192	0.058	45	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](N[5a,6]C[5a,6a]N[5a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](N[5a,6]C[5a,6a]N[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.1425	2.163	4	108.1425	4.680	4	108.1425	4.680	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.6570	0.027	2	109.4139	0.092	10	109.4705	2.034	274	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{2|H<1>,3|C<4>}	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3531	0.312	8	109.4139	0.092	10	109.4705	2.034	274	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[6](N[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5490	0.031	2	109.4928	0.007	8	109.4705	2.034	274	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](N[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4292	0.063	4	109.4928	0.007	8	109.4705	2.034	274	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|O<1>,1|O<2>,3|C<4>}	C[6](N[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5635	0.042	2	109.4928	0.007	8	109.4705	2.034	274	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]N[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](N[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,7|H<1>}	H(C[6]C[6]2H)	109.1990	0.123	4	109.1990	0.015	4	109.4705	2.034	274	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(H)2	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1530	0.064	2	109.1530	0.004	2	109.4705	2.034	274	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(H)2	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3145	0.005	2	109.3145	0.000	2	109.4705	2.034	274	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]B[6,6]C[6]Cr)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Cr<9>,1|B<4>,1|C<4>,2|H<1>}	C[6](N[6,6]B[6,6]C[6]Cr)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3983	0.100	4	109.3983	0.010	4	109.4705	2.034	274	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6]B)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6]B)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.8275	0.926	2	108.8275	0.857	2	109.4705	2.034	274	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4977	0.162	4	109.4977	0.026	4	109.4705	2.034	274	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6]Cu)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Cu<4>,2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6]Cu)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5434	1.453	11	109.1902	1.683	17	109.4705	2.034	274	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6]Cu)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Cu<5>,2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6]Cu)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.5428	0.621	6	109.1902	1.683	17	109.4705	2.034	274	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4640	0.036	12	109.2734	0.884	46	109.4705	2.034	274	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	107.7145	3.504	2	109.2734	0.884	46	109.4705	2.034	274	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Si<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2480	1.197	4	109.2734	0.884	46	109.4705	2.034	274	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2824	0.879	24	109.2734	0.884	46	109.4705	2.034	274	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4525	0.034	4	109.2734	0.884	46	109.4705	2.034	274	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6]Hg)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Hg<4>,2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6]Hg)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4973	0.414	4	109.4973	0.172	4	109.4705	2.034	274	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6]Li)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Li<4>,2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6]Li)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4750	0.350	25	109.4750	0.123	25	109.4705	2.034	274	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6]Ni)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Ni<4>,2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6]Ni)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5460	0.175	4	109.5460	0.031	4	109.4705	2.034	274	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6]Pd)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Pd<4>,2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6]Pd)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.9805	2.693	55	109.8736	7.963	59	109.4705	2.034	274	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6]Pd)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Pd<5>,2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6]Pd)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.4032	4.504	4	109.8736	7.963	59	109.4705	2.034	274	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6]Rh)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Rh<6>,2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6]Rh)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5195	0.388	4	109.5195	0.150	4	109.4705	2.034	274	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6]Zn)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Zn<4>,2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6]Zn)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4983	0.169	12	109.4983	0.029	12	109.4705	2.034	274	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6a]B[6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6](N[6,6]C[6,6a]B[6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<2>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.4869	0.329	8	109.4869	0.108	8	109.4705	2.034	274	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](N[6,6]C[6]3)(C[6]C[6]HH)(H)2{3|C<4>,8|H<1>}	H(C[6]C[6]2H)	109.3373	0.107	18	109.3373	0.012	18	109.4705	2.034	274	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,1|H<1>,1|P<4>}	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,1|N<3>,1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.7020	0.006	2	109.1518	0.078	23	109.4705	2.034	274	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,1|H<1>,1|P<4>}	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.2500	0.069	6	109.1518	0.078	23	109.4705	2.034	274	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,1|H<1>,1|P<4>}	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.1237	0.107	13	109.1518	0.078	23	109.4705	2.034	274	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,1|P<4>,2|H<1>}	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,1|N<3>,1|N<4>,4|H<1>}	H(C[6]C[6]2H)	108.4895	0.040	2	109.1518	0.078	23	109.4705	2.034	274	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]O[6]HH)(H)2	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]O[6]HH)(H)2{1|B<4>,1|C<4>,1|H<1>}	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.5247	0.235	6	109.5247	0.055	6	109.4705	2.034	274	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)2(H)2	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)2(H)2{4|C<4>}	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.7117	0.050	10	109.7117	0.003	10	109.4705	2.034	274	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)2(H)2	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)2(H)2{1|H<1>,3|C<4>}	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3475	0.035	2	109.3475	0.001	2	109.4705	2.034	274	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](N[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4470	0.016	2	109.4470	0.000	2	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,4|C<4>}	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0220	0.088	4	109.0220	0.008	4	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,4|C<4>}	C[6](N[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.0790	0.058	2	110.0790	0.003	2	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](N[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4181	0.152	12	109.3928	0.024	14	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](N[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2410	0.017	2	109.3928	0.024	14	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]CrC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2{1|Cr<8>,2|H<1>,4|C<4>}	C[6](N[6]C[6]CrC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2480	0.020	3	109.2480	0.000	3	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,4|C<4>}	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2160	0.293	4	109.2160	0.086	4	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]CuC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|Cu<4>,1|H<1>,1|N<4>,2|C<4>}	C[6](N[6]C[6,6]CuC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4130	0.010	2	109.4130	0.000	2	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]CuH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|Cu<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](N[6]C[6,6]CuH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6230	0.010	2	109.3413	0.029	25	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]CuH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|Cu<4>,1|C<4>,1|N<4>,2|H<1>}	C[6](N[6]C[6,6]CuH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3168	0.154	23	109.3413	0.029	25	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5215	2.910	2	109.5148	1.708	6	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](N[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5115	0.156	4	109.5148	1.708	6	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]PdC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|Pd<4>,1|H<1>,1|N<4>,2|C<4>}	C[6](N[6]C[6,6]PdC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2957	0.075	6	109.2957	0.006	6	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]PdH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|Pd<4>,1|C<4>,1|N<4>,2|H<1>}	C[6](N[6]C[6,6]PdH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1030	0.000	1	109.1030	0.000	1	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5930	0.170	4	109.5930	0.029	4	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4220	0.145	4	109.4220	0.021	4	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]B[3x3,3x5,12x6]C[6]Mo)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Mo<10>,1|B<6>,1|C<4>,2|H<1>}	C[6](N[6]B[3x3,3x5,12x6]C[6]Mo)(C[6]C[6]HH)(H)2{1|C<4>,1|C<6>,3|B<6>,4|H<1>}	H(C[6]C[6]2H)	109.2947	0.299	4	109.2947	0.090	4	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]B[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,3|H<1>}	C[6](N[6]B[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	108.5950	2.796	2	108.5950	7.817	2	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]B[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,3|H<1>}	C[6](N[6]B[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.6485	0.718	2	109.6485	0.515	2	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](N[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3623	0.118	3	109.4285	0.009	15	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](N[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4450	0.088	12	109.4285	0.009	15	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]Al2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|Al<4>,1|C<4>,2|H<1>}	C[6](N[6]C[6]Al2)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4537	0.137	8	109.4537	0.019	8	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]AlC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Al<4>,2|C<4>,2|H<1>}	C[6](N[6]C[6]AlC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4201	0.131	32	109.4369	0.018	36	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]AlC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Al<5>,2|C<4>,2|H<1>}	C[6](N[6]C[6]AlC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5710	0.072	4	109.4369	0.018	36	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]AlH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Al<5>,1|C<4>,3|H<1>}	C[6](N[6]C[6]AlH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0983	0.507	6	109.0983	0.257	6	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]AlN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Al<5>,1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]C[6]AlN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4778	0.112	4	109.4778	0.013	4	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]CoH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Co<4>,1|C<4>,3|H<1>}	C[6](N[6]C[6]CoH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4008	0.181	6	109.4086	0.033	29	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]CoH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Co<6>,1|C<4>,3|H<1>}	C[6](N[6]C[6]CoH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4107	0.185	23	109.4086	0.033	29	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]CuC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Cu<4>,2|C<4>,2|H<1>}	C[6](N[6]C[6]CuC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2289	0.495	11	109.1518	0.193	15	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]CuC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Cu<5>,2|C<4>,2|H<1>}	C[6](N[6]C[6]CuC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9398	0.055	4	109.1518	0.193	15	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]CuH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Cu<3>,1|C<4>,3|H<1>}	C[6](N[6]C[6]CuH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4579	0.093	8	109.3757	0.023	14	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]CuH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Cu<4>,1|C<4>,3|H<1>}	C[6](N[6]C[6]CuH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2662	0.152	6	109.3757	0.023	14	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]FeC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Fe<7>,2|C<4>,2|H<1>}	C[6](N[6]C[6]FeC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3795	0.081	4	109.3795	0.006	4	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]FeH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Fe<6>,1|C<4>,3|H<1>}	C[6](N[6]C[6]FeH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1187	0.066	3	109.1187	0.004	3	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]GaH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ga<4>,1|C<4>,3|H<1>}	C[6](N[6]C[6]GaH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	107.7922	1.442	4	107.7922	2.080	4	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]IrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ir<6>,1|C<4>,3|H<1>}	C[6](N[6]C[6]IrH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6795	0.029	2	109.6795	0.001	2	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]Li2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Li<3>,1|Li<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<3>,2|H<1>}	H(C[6]C[6]2H)	109.7143	0.046	3	109.7412	0.002	5	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]Li2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Li<3>,1|Li<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<3>,2|H<1>}	H(C[6]C[6]2H)	109.7815	0.009	2	109.7412	0.002	5	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]LiC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Li<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6]LiC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3686	0.147	13	109.4308	4.674	23	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]LiC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Li<5>,2|C<4>,2|H<1>}	C[6](N[6]C[6]LiC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7018	5.837	4	109.4308	4.674	23	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]LiC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Li<6>,1|C<4>,1|C<5>,2|H<1>}	C[6](N[6]C[6]LiC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3848	0.034	6	109.4308	4.674	23	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]MgC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Mg<4>,2|C<4>,2|H<1>}	C[6](N[6]C[6]MgC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4572	0.180	12	109.4162	0.019	36	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]MgC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Mg<5>,2|C<4>,2|H<1>}	C[6](N[6]C[6]MgC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4667	0.031	4	109.4162	0.019	36	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]MgC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Mg<6>,2|C<4>,2|H<1>}	C[6](N[6]C[6]MgC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3815	0.117	20	109.4162	0.019	36	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]MnC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Mn<7>,2|C<4>,2|H<1>}	C[6](N[6]C[6]MnC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.9065	0.111	4	109.9065	0.012	4	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]MnH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Mn<6>,1|C<4>,3|H<1>}	C[6](N[6]C[6]MnH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4652	0.032	4	109.4652	0.001	4	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]MoC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Mo<6>,2|C<4>,2|H<1>}	C[6](N[6]C[6]MoC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5505	0.019	4	109.5505	0.000	4	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]NiC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ni<4>,2|C<4>,2|H<1>}	C[6](N[6]C[6]NiC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5354	0.094	14	109.4496	0.048	28	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]NiC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ni<6>,2|C<4>,2|H<1>}	C[6](N[6]C[6]NiC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3637	0.273	14	109.4496	0.048	28	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]NiH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ni<4>,1|C<4>,3|H<1>}	C[6](N[6]C[6]NiH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7095	1.171	4	108.8082	1.077	5	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]NiH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ni<6>,1|C<4>,3|H<1>}	C[6](N[6]C[6]NiH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2030	0.000	1	108.8082	1.077	5	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]OsH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Os<9>,1|C<4>,3|H<1>}	C[6](N[6]C[6]OsH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	120.9845	1.187	2	120.9845	1.410	2	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]PdC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Pd<4>,2|C<4>,2|H<1>}	C[6](N[6]C[6]PdC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3371	0.146	8	109.4566	0.046	12	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]PdC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Pd<4>,2|C<4>,2|H<1>}	C[6](N[6]C[6]PdC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6955	0.077	4	109.4566	0.046	12	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]PdH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Pd<4>,1|C<4>,3|H<1>}	C[6](N[6]C[6]PdH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5230	0.075	10	109.5230	0.006	10	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]PtC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Pt<4>,2|C<4>,2|H<1>}	C[6](N[6]C[6]PtC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4150	0.170	58	109.4150	0.029	58	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]PtH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Pt<4>,1|C<4>,3|H<1>}	C[6](N[6]C[6]PtH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8440	0.210	4	109.4306	0.046	29	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]PtH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Pt<4>,1|C<4>,3|H<1>}	C[6](N[6]C[6]PtH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3592	0.129	22	109.4306	0.046	29	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]PtH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Pt<5>,1|C<4>,3|H<1>}	C[6](N[6]C[6]PtH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4027	0.079	3	109.4306	0.046	29	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]RhH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Rh<5>,1|C<4>,3|H<1>}	C[6](N[6]C[6]RhH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4153	0.042	4	109.4153	0.002	4	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]RuH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ru<8>,1|C<4>,3|H<1>}	C[6](N[6]C[6]RuH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1345	0.708	2	109.2878	0.148	5	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]RuH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ru<9>,1|C<4>,3|H<1>}	C[6](N[6]C[6]RuH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3900	0.085	3	109.2878	0.148	5	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]TiH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ti<8>,1|C<4>,3|H<1>}	C[6](N[6]C[6]TiH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3333	0.021	3	109.3333	0.000	3	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]TiN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ti<7>,1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]C[6]TiN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9340	0.054	14	108.9340	0.003	14	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]ZnC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Zn<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6]ZnC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4673	0.024	3	109.4158	0.011	11	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]ZnC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Zn<4>,2|C<4>,2|H<1>}	C[6](N[6]C[6]ZnC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3965	0.119	8	109.4158	0.011	11	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]ZnH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Zn<5>,1|C<4>,3|H<1>}	C[6](N[6]C[6]ZnH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4117	0.056	4	109.4576	0.006	11	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]ZnH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Zn<6>,1|C<4>,3|H<1>}	C[6](N[6]C[6]ZnH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4839	0.074	7	109.4576	0.006	11	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6]Al)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Al<4>,1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6]Al)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3135	0.122	4	109.3135	0.015	4	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6]Cr)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Cr<5>,1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6]Cr)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5012	0.199	4	109.3953	0.019	23	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6]Cr)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Cr<6>,1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6]Cr)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3731	0.118	19	109.3953	0.019	23	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3866	0.115	8	109.3866	0.013	8	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]RuC)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]Ru2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]RuC)(C[6]N[6]HH)(H)2{1|Ru<8>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Ru2)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]2H)	107.5035	0.414	2	107.5035	0.171	2	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[4,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]Ga[4,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[4,6]HH)(C[6]N[6]HH)(H)2{1|Ga<5>,1|C<3>,2|C<4>}	C[6](N[6]Ga[4,6]CC)(C[6]C[6]HH)(H)2{2|Cl<1>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	108.6325	0.013	2	108.6325	0.000	2	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[4,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]Nb[5x3,4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[4,6]HH)(C[6]N[6]HH)(H)2{1|Nb<10>,1|Si<4>,2|H<1>}	C[6](N[6]Nb[5x3,4,6]HH)(C[6]C[6]HH)(H)2{3|Cl<1>,1|N<3>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.1090	0.010	2	109.1090	0.000	2	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]B[6,6]HP)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,1|P<4>,2|H<1>}	C[6](N[6]B[6,6]HP)(C[6]C[6]HH)(H)2{1|F<1>,1|N<3>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	108.5995	0.074	2	108.5995	0.006	2	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](N[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.7140	0.033	2	109.6988	0.001	4	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](N[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.6835	0.026	2	109.6988	0.001	4	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6]Mn2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{2|Mn<9>,2|C<4>}	C[6](N[6]C[6,6]Mn2)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.8340	0.021	2	109.8340	0.000	2	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	C[6](N[6]Ga[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{1|Ga<4>,1|C<4>,1|H<1>}	C[6](N[6]Ga[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7477	0.093	3	108.7477	0.009	3	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](N[6]C[6]CuC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Cu<5>,1|H<1>,2|C<4>}	C[6](N[6]C[6]CuC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.7050	2.855	2	109.7050	8.153	2	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](N[6]C[6]NiC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Ni<5>,3|C<4>}	C[6](N[6]C[6]NiC)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2H)	112.1292	3.240	4	111.2158	8.302	6	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	C[6](N[6]C[6]NiC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Ni<6>,1|H<1>,2|C<4>}	C[6](N[6]C[6]NiC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3890	0.042	2	111.2158	8.302	6	109.4265	0.940	553	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]P[5,6]HH)(C[6]C[6]HH)(H)2	C[6](P[5,6]C[5,6]C[5]S)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]P[5,6]HH)(C[6]C[6]HH)(H)2{1|S<1>,2|C<4>,2|H<1>}	C[6](P[5,6]C[5,6]C[5]S)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2082	2.483	4	109.2082	6.165	4	109.2082	6.165	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]P[6,6]HH)(H)2	C[6](P[6,6]C[6,6]C[6]S)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]P[6,6]HH)(H)2{1|O<2>,1|S<1>,3|C<4>}	C[6](P[6,6]C[6,6]C[6]S)(C[6]C[6]HH)(H)2{2|C<4>,6|H<1>}	H(C[6]C[6]2H)	107.3137	2.041	4	107.3137	4.165	4	107.3137	4.165	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]P[6]HH)(H)2	C[6](P[6]C[6]PtC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]P[6]HH)(H)2{1|Pt<4>,2|C<4>,2|H<1>}	C[6](P[6]C[6]PtC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0298	0.158	11	109.0298	0.025	11	109.0161	0.039	41	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]P[6]HH)(H)2	C[6](P[6]C[6a]C[6]Pt)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]P[6]HH)(H)2{1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	C[6](P[6]C[6a]C[6]Pt)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1295	0.215	6	109.1295	0.046	6	109.0161	0.039	41	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]P[6]HH)2(H)2	C[6](P[6]C[6a]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]P[6]HH)2(H)2{5|C<3>}	C[6](P[6]C[6a]2C[6])(C[6]C[6]HH)(H)2{1|Ga<4>,1|P<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.3033	0.013	4	109.3033	0.000	4	109.0161	0.039	41	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]P[6]HH)2(H)2	C[6](P[6]C[6a]2P[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]P[6]HH)2(H)2{1|P<2>,4|C<3>}	C[6](P[6]C[6a]2P[6])(C[6]C[6]HH)(H)2{1|P<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.9171	0.161	20	108.9171	0.026	20	109.0161	0.039	41	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]S[6]HH)(H)2	C[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]S[6]HH)(H)2{2|C<3>,2|O<1>}	C[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.8143	0.156	4	108.8143	0.024	4	108.8143	0.024	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	Si[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]Si[5,6]HH)(C[6]C[6]HH)(H)2	C[6](Si[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]Si[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	C[6](Si[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{4|H<1>,5|C<3>}	H(C[6]C[6]2H)	108.3140	0.819	2	108.0602	0.729	4	108.5932	0.646	8	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	Si[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]Si[5,6]HH)(C[6]C[6]HH)(H)2	C[6](Si[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]Si[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](Si[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{1|B<3>,1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	107.8065	1.122	2	108.0602	0.729	4	108.5932	0.646	8	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	Si[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]Si[5,6]HH)(C[6]C[6]HH)(H)2	C[6](Si[5,6]N[5,6]O[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]Si[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[6](Si[5,6]N[5,6]O[5]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.1262	0.145	4	109.1262	0.021	4	108.5932	0.646	8	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]Si[6]HH)(H)2	C[6](Si[6]C[5,6]C[6a]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]Si[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](Si[6]C[5,6]C[6a]C)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	111.0815	5.320	2	111.0815	28.298	2	109.0724	1.301	31	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2	C[6](Si[6]C[6]Cl2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2{2|Cl<1>,1|C<4>,2|H<1>}	C[6](Si[6]C[6]Cl2)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7960	0.100	3	108.7960	0.010	3	109.0724	1.301	31	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2	C[6](Si[6]C[6]N[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	C[6](Si[6]C[6]N[5]2)(C[6]C[6]HH)(H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1647	0.200	3	109.1647	0.040	3	109.0724	1.301	31	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2	C[6](Si[6]C[6]OO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](Si[6]C[6]OO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7085	0.232	11	108.7085	0.054	11	109.0724	1.301	31	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.0785	0.032	2	109.0880	0.001	4	109.0724	1.301	31	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.0975	0.025	2	109.0880	0.001	4	109.0724	1.301	31	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]Si[6]HH)2(H)2	C[6](Si[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]Si[6]HH)2(H)2{1|C<3>,4|C<4>}	C[6](Si[6]C[6]CC)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<2>,2|H<1>}	H(C[6]C[6]2H)	109.3160	0.025	4	109.3160	0.001	4	109.0724	1.301	31	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]Si[6]HH)2(H)2	C[6](Si[6]P[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]Si[6]HH)2(H)2{1|P<4>,4|C<4>}	C[6](Si[6]P[6]CC)(C[6]C[6]HH)(H)2{1|Si<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9472	0.022	4	108.9472	0.001	4	109.0724	1.301	31	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)(I)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HI)(H)2	H(C[6]C[6]2I)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)(I){1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HI)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2I)	108.4847	0.191	3	108.4847	0.036	3	108.4742	0.027	5	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)(I)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HI)(H)2	H(C[6]C[6]2I)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)(I){4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HI)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2I)	108.4585	0.182	2	108.4585	0.033	2	108.4742	0.027	5	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)(I)	C[6](C[6]C[5,6]CC)(C[6]C[6]HI)(H)2	H(C[6]C[6]2I)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)(I){5|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HI)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2I)	108.6340	0.000	1	108.6340	0.000	1	107.9220	0.656	20	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)(I)	C[6](C[6]C[6,6]HH)(C[6]C[6]HI)(H)2	H(C[6]C[6]2I)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)(I){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HI)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2I)	107.1865	0.161	2	106.9827	0.066	4	107.9220	0.656	20	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)(I)	C[6](C[6]C[6,6]HH)(C[6]C[6]HI)(H)2	H(C[6]C[6]2I)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)(I){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HI)(H)2{5|C<4>}	H(C[6]C[6]2I)	106.7790	0.072	2	106.9827	0.066	4	107.9220	0.656	20	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)(I)	C[6](C[6]C[6,6]CC)(C[6]C[6]HI)(H)2	H(C[6]C[6]2I)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)(I){1|O<2>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HI)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2I)	108.5207	0.224	3	108.5207	0.050	3	107.9220	0.656	20	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)(I)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2	H(C[6]C[6]2I)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)(I){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2I)	106.5270	0.000	1	106.5270	0.000	1	107.9220	0.656	20	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)(I)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2	H(C[6]C[6]2I)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)(I){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2I)	107.6530	0.000	1	107.6530	0.000	1	107.9220	0.656	20	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)(I)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2	H(C[6]C[6]2I)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)(I){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2I)	106.9450	0.000	1	106.9450	0.000	1	107.9220	0.656	20	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)(I)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2	H(C[6]C[6]2I)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)(I){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2I)	109.1295	0.163	2	109.1295	0.027	2	107.9220	0.656	20	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)(I)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2	H(C[6]C[6]2I)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)(I){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2I)	107.9905	0.101	2	107.9905	0.010	2	107.9220	0.656	20	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)(I)	C[6](C[6]C[6]CH)(C[6]C[6]HI)(H)2	H(C[6]C[6]2I)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HI)(H)2{2|O<2>,3|C<4>}	H(C[6]C[6]2I)	107.4150	0.000	1	107.4150	0.000	1	107.9220	0.656	20	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)(I)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2	H(C[6]C[6]2I)	C[6](C[6]C[6]HH)2(H)(I){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2I)	108.3375	0.036	2	108.3375	0.001	2	107.9220	0.656	20	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)(I)	C[6](C[6]C[6]HI)(C[6]N[6]CH)(H)2	H(C[6]C[6]2I)	C[6](C[6]C[6]HH)2(H)(I){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HI)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2I)	108.4290	0.000	1	108.4290	0.000	1	107.9220	0.656	20	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)(I)	C[6](C[6]C[6]HI)(C[6]N[6]HH)(H)2	H(C[6]C[6]2I)	C[6](C[6]C[6]HH)2(H)(I){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HI)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2I)	108.4290	0.000	1	108.4290	0.000	1	107.9220	0.656	20	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)(O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)(O){1|N<4>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2O)	107.9040	0.280	2	107.9040	0.078	2	107.9040	0.078	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)(O){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.2815	0.197	2	108.2815	0.039	2	108.2815	0.039	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6,6]-4:C[6]-4:H-1:O-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(H)(O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)(O)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(H)(O){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.0930	0.000	1	109.0930	0.000	1	109.0930	0.000	1	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.9435	0.251	2	109.7135	2.039	4	109.2597	2.665	6	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)(O){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2O)	108.4835	0.052	2	109.7135	2.039	4	109.2597	2.665	6	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)(O){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2O)	109.8910	0.000	1	109.8910	0.000	1	109.2597	2.665	6	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)(O)	C[6](C[6]C[6]HO)2(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)(O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HO)2(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2O)	106.8130	0.000	1	106.8130	0.000	1	109.2597	2.665	6	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O)	C[6](C[6]C[6]HO)2(H)(O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(H)(O){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.5417	1.204	12	108.5417	1.449	12	108.5980	1.047	23	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)(O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(H)(O){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.6595	0.838	11	108.6595	0.702	11	108.5980	1.047	23	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6,6]-4:H-1:H-1:	C[6]-4:N[6,6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(N[6,6]C[6]3)(H)2	C[6](C[6]N[6,6]HH)(N[6,6]C[6]3)(H)2	H(C[6]N[6,6]C[6]H)	C[6](C[6]N[6,6]HH)(N[6,6]C[6]3)(H)2{5|C<4>,6|H<1>}	C[6](C[6]N[6,6]HH)(N[6,6]C[6]3)(H)2{5|C<4>,6|H<1>}	H(C[6]N[6,6]C[6]H)	109.2952	0.335	12	109.2952	0.112	12	109.2952	0.112	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(N[6]C[6]CH)(H)2	C[6](C[3,6]C[3,6]O[3]C)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[3,6]HH)(N[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.2360	0.000	1	109.2360	0.000	1	109.2360	0.000	1	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CH)(H)2	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2{2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4175	0.121	4	109.5032	0.026	6	109.4136	0.046	8	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CH)(H)2	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2{3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6745	0.011	2	109.5032	0.026	6	109.4136	0.046	8	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CN)(H)2	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CN)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2{1|N<3>,2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.1450	0.016	2	109.1450	0.000	2	109.4136	0.046	8	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CC)(H)2	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CC)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|H<1>,2|O<2>,3|C<3>,4|C<4>}	H(C[6]C[6]N[6]H)	108.7443	0.024	3	108.7443	0.001	3	109.7710	1.644	30	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	110.1645	1.719	15	109.9258	1.817	25	109.7710	1.644	30	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]N[6]H)	109.5060	0.097	6	109.9258	1.817	25	109.7710	1.644	30	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{2|H<1>,2|O<2>,3|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.6605	0.041	4	109.9258	1.817	25	109.7710	1.644	30	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CO)(H)2	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CO)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.3760	0.011	2	109.3760	0.000	2	109.7710	1.644	30	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]CH)(H)2	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6]N[6]H)	110.2798	1.476	8	110.2798	2.179	8	110.2798	2.179	8	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]CH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[6]N[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.7270	0.013	2	108.7270	0.000	2	109.2655	0.177	6	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]CH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4830	0.052	2	109.4830	0.003	2	109.2655	0.177	6	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(N[6]C[6]CH)(H)2	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]N[6]HH)(H)2{1|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5865	0.011	2	109.5865	0.000	2	109.2655	0.177	6	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2{1|N<4>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.1945	0.021	2	109.1945	0.000	2	109.3810	0.024	6	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4742	0.068	4	109.4742	0.005	4	109.3810	0.024	6	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6,6]CC)(H)2	C[6](C[6,6]N[3x6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6,6]N[3x6]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.7233	0.061	4	109.7233	0.004	4	110.7971	1.714	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6,6]CH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	112.1875	0.093	2	112.1875	0.009	2	110.7971	1.714	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	111.8868	0.721	4	111.8868	0.520	4	110.7971	1.714	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	109.3750	0.062	2	109.3750	0.004	2	110.7971	1.714	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]FF)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7345	1.155	12	109.7345	1.335	12	109.7345	1.335	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]FH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3230	0.007	2	109.3230	0.000	2	109.3230	0.000	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]B[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]B[6]CH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	110.7135	0.639	4	110.7230	0.428	6	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]B[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]B[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	110.7420	0.955	2	110.7230	0.428	6	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]B[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]B[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<4>,4|H<1>}	H(C[6]C[6]N[6]H)	110.5415	0.333	2	110.5415	0.111	2	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7268	0.769	4	109.7251	0.356	19	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7247	0.575	15	109.7251	0.356	19	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]BH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]BH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5998	0.050	12	109.5998	0.003	12	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]BH)(H)2	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]BH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.1141	0.114	8	109.1141	0.013	8	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	108.7100	0.086	2	108.7100	0.007	2	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.1920	0.228	2	109.1129	0.299	101	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.1113	0.552	99	109.1129	0.299	101	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2{1|Fe<10>,3|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	109.5119	0.196	9	109.5129	0.024	14	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2{1|Ti<12>,3|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	109.5146	0.051	5	109.5129	0.024	14	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4922	0.115	4	109.5864	0.027	8	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6805	0.159	4	109.5864	0.027	8	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5768	0.024	4	109.5768	0.001	4	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2410	0.025	2	109.3460	0.019	44	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4639	0.098	10	109.3460	0.019	44	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.4390	0.008	2	109.3460	0.019	44	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3074	0.133	30	109.3460	0.019	44	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2310	0.000	1	109.6529	0.780	243	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4925	0.011	2	109.6529	0.780	243	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|F<1>,1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.4025	0.032	2	109.6529	0.780	243	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6615	0.899	234	109.6529	0.780	243	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.6205	0.035	2	109.6529	0.780	243	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2960	0.075	2	109.6529	0.780	243	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5451	0.105	14	109.5451	0.011	14	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.7245	0.023	2	108.7245	0.001	2	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3972	0.112	8	109.9408	1.199	12	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	111.0280	1.415	4	109.9408	1.199	12	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4065	0.201	85	109.4065	0.041	85	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2078	0.164	4	109.2078	0.027	4	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3800	0.384	7	109.3800	0.148	7	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4170	0.093	3	109.4170	0.009	3	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5045	0.114	4	109.5045	0.013	4	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6]N[6]H)	111.0045	0.926	4	111.0045	0.857	4	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	109.7436	0.869	62	109.7436	0.755	62	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5577	0.155	115	109.5223	0.348	239	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7450	0.000	1	109.5223	0.348	239	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4874	0.809	123	109.5223	0.348	239	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]FF)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]FF)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6435	0.174	11	109.6435	0.030	11	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]FH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7045	0.036	2	109.7045	0.001	2	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	109.8585	0.059	2	109.9069	1.594	305	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	111.1255	1.724	4	109.9069	1.594	305	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7745	0.032	2	109.9069	1.594	305	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4135	0.008	2	109.9069	1.594	305	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8120	0.051	2	109.9069	1.594	305	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5645	0.022	2	109.9069	1.594	305	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.9455	0.722	12	109.9069	1.594	305	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7020	0.035	2	109.9069	1.594	305	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6507	0.278	6	109.9069	1.594	305	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]N[6]H)	108.9301	0.799	12	109.9069	1.594	305	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	110.0072	1.460	200	109.9069	1.594	305	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7018	0.546	19	109.9069	1.594	305	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6483	0.194	34	109.9069	1.594	305	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6835	0.005	2	109.9069	1.594	305	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7310	0.031	2	109.9069	1.594	305	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	111.8990	0.089	2	109.9069	1.594	305	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4165	0.042	2	109.4165	0.002	2	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6389	0.141	20	109.8894	0.621	24	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	111.1420	1.456	4	109.8894	0.621	24	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6625	0.486	4	109.6625	0.236	4	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6933	0.138	15	109.6933	0.019	15	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6038	0.128	19	109.6038	0.016	19	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4403	0.013	3	109.4403	0.000	3	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HW)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HW)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|W<6>,3|H<1>}	H(C[6]C[6]N[6]H)	108.8893	0.050	4	108.8893	0.002	4	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]OU)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]OU)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|U<11>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4115	0.076	4	109.4115	0.006	4	109.6247	0.751	1292	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2H)(H)2{3|C<4>,5|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3008	0.056	4	109.3008	0.003	4	109.6021	1.224	2363	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.1217	0.664	70	109.1217	0.440	70	109.6021	1.224	2363	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5152	0.637	277	109.5125	0.400	281	109.6021	1.224	2363	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.2460	0.014	2	109.5125	0.400	281	109.6021	1.224	2363	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4010	0.011	2	109.5125	0.400	281	109.6021	1.224	2363	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4256	0.742	155	109.4243	0.543	157	109.6021	1.224	2363	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.3235	0.005	2	109.4243	0.543	157	109.6021	1.224	2363	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]2H)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2H)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	109.7288	0.053	4	109.7288	0.003	4	109.6021	1.224	2363	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4162	0.633	164	109.4170	0.396	166	109.6021	1.224	2363	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4815	0.021	2	109.4170	0.396	166	109.6021	1.224	2363	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.8195	0.056	4	109.6724	1.524	1681	109.6021	1.224	2363	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9253	0.040	3	109.6724	1.524	1681	109.6021	1.224	2363	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	107.1215	0.165	2	109.6724	1.524	1681	109.6021	1.224	2363	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7127	0.208	12	109.6724	1.524	1681	109.6021	1.224	2363	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3585	0.639	2	109.6724	1.524	1681	109.6021	1.224	2363	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6946	1.277	1520	109.6724	1.524	1681	109.6021	1.224	2363	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5937	0.627	68	109.6724	1.524	1681	109.6021	1.224	2363	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3230	0.670	70	109.6724	1.524	1681	109.6021	1.224	2363	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:O[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.9775	0.325	6	109.9775	0.105	6	109.9775	0.105	6	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](N[6]C[6]CoH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|Co<4>,1|C<4>,3|H<1>}	C[6](N[6]C[6]CoH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4853	0.038	4	109.4853	0.001	4	109.5907	2.655	105	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](N[6]C[6]CuC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|Cu<5>,2|C<4>,2|H<1>}	C[6](N[6]C[6]CuC)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6580	0.125	3	109.6580	0.016	3	109.5907	2.655	105	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5828	0.067	4	109.5828	0.004	4	109.5907	2.655	105	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CO)(H)2	C[6](N[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](N[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.8542	3.269	4	110.8542	10.683	4	109.5907	2.655	105	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](N[6]C[6]CdC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Cd<5>,2|C<4>,2|H<1>}	C[6](N[6]C[6]CdC)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5058	0.022	4	109.5058	0.000	4	109.5907	2.655	105	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](N[6]C[6]CoC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Co<5>,2|C<4>,2|H<1>}	C[6](N[6]C[6]CoC)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7300	0.025	5	109.7300	0.001	5	109.5907	2.655	105	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](N[6]C[6]CoH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Co<4>,2|C<4>,2|H<1>}	C[6](N[6]C[6]CoH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6650	0.031	2	110.1068	1.416	8	109.5907	2.655	105	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](N[6]C[6]CoH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Co<6>,1|C<4>,3|H<1>}	C[6](N[6]C[6]CoH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6615	0.152	4	110.1068	1.416	8	109.5907	2.655	105	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](N[6]C[6]CoH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Co<6>,1|C<4>,3|H<1>}	C[6](N[6]C[6]CoH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	111.4390	2.260	2	110.1068	1.416	8	109.5907	2.655	105	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](N[6]C[6]CuC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Cu<5>,2|C<4>,2|H<1>}	C[6](N[6]C[6]CuC)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4321	0.171	8	109.4321	0.029	8	109.5907	2.655	105	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Ni<6>,2|C<4>,2|H<1>}	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5631	0.244	29	109.5631	0.060	29	109.5907	2.655	105	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](N[6]C[6]NiH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Ni<6>,1|C<4>,3|H<1>}	C[6](N[6]C[6]NiH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8582	0.022	4	109.8582	0.001	4	109.5907	2.655	105	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](N[6]C[6]ZnH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Zn<4>,1|C<4>,3|H<1>}	C[6](N[6]C[6]ZnH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6325	0.076	2	109.6325	0.006	2	109.5907	2.655	105	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3117	2.759	30	109.3117	7.610	30	109.5907	2.655	105	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]Si[6]HH)(N[6]C[6]HH)(H)2	C[6](Si[6]C[6a]2C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]Si[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](Si[6]C[6a]2C[6])(C[6]N[6]HH)(H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.1217	0.092	4	109.1217	0.008	4	109.1217	0.008	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6]HH)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.5655	0.114	6	109.5655	0.013	6	109.5655	0.013	6	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:P[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(P[6]O[6]OO)(F)(H)	C[6](C[6]C[6]HN)(C[6]P[6]FH)(H)2	H(C[6]C[6]P[6]F)	C[6](C[6]C[6]HH)(P[6]O[6]OO)(F)(H){1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[6]HN)(C[6]P[6]FH)(H)2{1|O<2>,2|H<1>,2|O<1>}	H(C[6]C[6]P[6]F)	109.0660	0.000	2	109.0660	0.000	2	109.0660	0.000	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:P[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(P[6]C[6]OO)(H)2	C[6](C[6]P[6]HH)2(H)2	H(C[6]C[6]P[6]H)	C[6](C[6]C[6]HH)(P[6]C[6]OO)(H)2{1|P<4>,4|H<1>}	C[6](C[6]P[6]HH)2(H)2{1|C<4>,2|O<1>,2|O<2>}	H(C[6]C[6]P[6]H)	108.4940	0.134	3	108.4940	0.018	3	108.4940	0.018	3	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:P[6]-4:H-1:H-1:	C[6]-4:P[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]P[6]HH)(P[6]B[6]CC)(H)2	C[6](C[6]P[6]HH)(P[6]B[6]CC)(H)2	H(C[6]C[6]P[6]H)	C[6](C[6]P[6]HH)(P[6]B[6]CC)(H)2{1|B<3>,1|C<3>,2|C<4>}	C[6](C[6]P[6]HH)(P[6]B[6]CC)(H)2{1|B<3>,1|C<3>,2|C<4>}	H(C[6]C[6]P[6]H)	109.1675	0.118	4	109.1675	0.014	4	108.8067	0.128	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:P[6]-4:H-1:H-1:	C[6]-4:P[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]P[6]HH)(P[6]C[6]3)(H)2	C[6](C[6]P[6]HH)(P[6]C[6]3)(H)2	H(C[6]C[6]P[6]H)	C[6](C[6]P[6]HH)(P[6]C[6]3)(H)2{4|H<1>,7|C<4>}	C[6](C[6]P[6]HH)(P[6]C[6]3)(H)2{4|H<1>,7|C<4>}	H(C[6]C[6]P[6]H)	108.6810	0.233	4	108.6810	0.054	4	108.8067	0.128	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:P[6]-4:H-1:H-1:	C[6]-4:P[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]P[6]HH)(P[6]C[6]CC)(H)2	C[6](C[6]P[6]HH)(P[6]C[6]CC)(H)2	H(C[6]C[6]P[6]H)	C[6](C[6]P[6]HH)(P[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C[6](C[6]P[6]HH)(P[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]P[6]H)	108.5715	0.366	4	108.5715	0.134	4	108.8067	0.128	12	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(S[6]C[6]OO)(H)2	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[5,6]HH)(S[6]C[6]OO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]S[6]HH)(H)2{1|C<3>,2|H<1>,2|O<1>,4|C<4>}	H(C[6]C[6]S[6]H)	109.3227	0.226	4	109.3227	0.051	4	109.3227	0.051	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(S[6]C[6]OO)(H)2	C[6](C[6,6]C[5,6]C[6]N[6])(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6,6]HH)(S[6]C[6]OO)(H)2{1|N<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6]N[6])(C[6]S[6]HH)(H)2{1|C<3>,2|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]S[6]H)	109.3780	0.043	4	109.3780	0.002	4	109.3780	0.002	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6]NO)(H)2	C[6](C[6]C[6]OO)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6]NO)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]OO)(C[6]S[6]HH)(H)2{1|C<4>,1|N<2>,1|O<1>,2|H<1>}	H(C[6]C[6]S[6]H)	109.2515	0.083	4	109.2515	0.007	4	110.0352	2.153	20	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6]OO)(H)2	C[6](C[6]C[5,6]HH)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6]OO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]S[6]HH)(H)2{1|N<4>,2|C<4>,2|O<1>}	H(C[6]C[6]S[6]H)	109.7740	0.041	2	109.7740	0.002	2	110.0352	2.153	20	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6]OO)(H)2	C[6](C[6]C[6]HH)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6]OO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]S[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<1>}	H(C[6]C[6]S[6]H)	109.4815	0.078	4	109.4585	0.005	6	110.0352	2.153	20	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6]OO)(H)2	C[6](C[6]C[6]HH)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6]OO)(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]S[6]HH)(H)2{1|C<4>,3|O<1>}	H(C[6]C[6]S[6]H)	109.4125	0.026	2	109.4585	0.005	6	110.0352	2.153	20	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6]OO)(H)2	C[6](C[6]S[6]HH)2(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6]OO)(H)2{1|S<4>,4|H<1>}	C[6](C[6]S[6]HH)2(H)2{1|C<4>,4|O<1>}	H(C[6]C[6]S[6]H)	112.1188	2.485	4	112.1188	6.177	4	110.0352	2.153	20	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]N[6]CO)(H)2	C[6](C[6]C[6]HN)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]N[6]CO)(H)2{1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HN)(C[6]S[6]HH)(H)2{1|C<4>,1|N<2>,2|O<1>}	H(C[6]C[6]S[6]H)	109.7845	0.037	2	109.7845	0.001	2	110.0352	2.153	20	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]N[6]OO)(H)2	C[6](C[6]C[6]HS)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]N[6]OO)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]C[6]HS)(C[6]S[6]HH)(H)2{1|N<3>,2|H<1>,2|O<1>}	H(C[6]C[6]S[6]H)	109.6780	0.057	2	109.6780	0.003	2	110.0352	2.153	20	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6]OO)(H)2	C[6](C[6]S[6]HH)(S[6]C[6]OO)(H)2	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6]OO)(H)2{1|C<4>,2|H<1>,2|O<1>}	C[6](C[6]S[6]HH)(S[6]C[6]OO)(H)2{1|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6]S[6]H)	111.9960	1.274	6	111.9960	1.624	6	111.9960	1.624	6	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[4,6]B[4]C[4]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[4,6]C[6]H)	C[6](N[4,6]B[4]C[4]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|B<3>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[4,6]C[6]H)	108.9680	0.117	8	108.8913	0.023	12	108.9279	0.039	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[4,6]B[4]C[4]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[4,6]C[6]H)	C[6](N[4,6]B[4]C[4]C[6])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,5|H<1>}	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]N[4,6]C[6]H)	108.7380	0.068	4	108.8913	0.023	12	108.9279	0.039	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[4,6]C[4,5]B[4]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[4,6]C[6]H)	C[6](N[4,6]C[4,5]B[4]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|F<1>,4|H<1>}	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[4,6]C[6]H)	109.2275	0.012	2	109.2275	0.000	2	108.9279	0.039	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[4,6]C[4,6,6]B[4]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[4,6]C[6]H)	C[6](N[4,6]C[4,6,6]B[4]C[6])(C[6]C[6]HH)(H)2{2|C<3>,4|C<4>,4|H<1>}	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]N[4,6]C[6]H)	108.7067	0.026	3	108.7067	0.001	3	108.9279	0.039	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[4,6]C[4,6]B[4]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[4,6]C[6]H)	C[6](N[4,6]C[4,6]B[4]C[6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]N[4,6]C[6]H)	108.8125	0.022	2	108.8125	0.000	2	108.9279	0.039	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[4,6]Ga[4]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[4,6]C[6]H)	C[6](N[4,6]Ga[4]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,8|H<1>}	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2{2|Ga<4>,1|C<4>,2|H<1>}	H(C[6]N[4,6]C[6]H)	109.1727	0.068	3	109.1727	0.005	3	108.9279	0.039	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[5,6,6]C[6]H)	C[6](N[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|N<4>,2|C<4>,7|H<1>}	C[6](C[6]N[5,6,6]HH)(C[6]N[6,6]HH)(H)2{4|C<4>}	H(C[6]N[5,6,6]C[6]H)	109.1476	0.147	8	109.1476	0.022	8	109.3646	0.066	16	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6,6]HH)2(H)2	H(C[6]N[5,6,6]C[6]H)	C[6](N[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|N<4>,2|C<4>,7|H<1>}	C[6](C[6]N[5,6,6]HH)2(H)2{5|C<4>}	H(C[6]N[5,6,6]C[6]H)	109.5283	0.050	6	109.5283	0.002	6	109.3646	0.066	16	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6,6]C[5,5,4x6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,5,6,6]HH)(C[6]N[5,6,6]HH)(H)2	H(C[6]N[5,6,6]C[6]H)	C[6](N[5,6,6]C[5,5,4x6]C[5,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[5,5,6,6]HH)(C[6]N[5,6,6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]N[5,6,6]C[6]H)	109.7415	0.025	2	109.7415	0.001	2	109.3646	0.066	16	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]B[5,5a]C[5,5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]B[5,5a]C[5,5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	108.9150	0.000	1	108.9150	0.000	1	109.2872	0.153	44	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]B[5]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]B[5]C[5]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<4>,7|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.2845	0.258	2	109.2845	0.067	2	109.2872	0.153	44	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[3x6]HH)(C[6]N[5,6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]N[5,6]C[6]H)	109.0390	0.033	2	108.9557	0.010	4	109.2872	0.153	44	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[3x6]HH)(C[6]N[5,6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]N[5,6]C[6]H)	108.8725	0.013	2	108.9557	0.010	4	109.2872	0.153	44	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6]N[5,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	109.2330	0.000	1	109.2330	0.000	1	109.2872	0.153	44	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.8085	0.040	4	109.9236	0.021	8	109.2872	0.153	44	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	110.0387	0.107	4	109.9236	0.021	8	109.2872	0.153	44	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)2(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,6|H<1>}	C[6](C[6]N[5,6]HH)2(H)2{1|H<1>,3|C<4>}	H(C[6]N[5,6]C[6]H)	109.1891	0.381	12	109.1891	0.145	12	109.2872	0.153	44	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]N[5,6]C[6]H)	109.1085	0.130	4	109.1085	0.017	4	109.2872	0.153	44	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]N[5,6]C[6]H)	109.1035	0.028	2	109.1035	0.001	2	109.2872	0.153	44	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{3|C<4>,8|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]N[5,6]C[6]H)	109.0235	0.222	4	109.0235	0.049	4	109.2872	0.153	44	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]Ga[5]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]Ga[5]C[5]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|Ga<4>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|Ga<4>,2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.3083	0.109	4	109.2838	0.022	6	109.2872	0.153	44	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]Ga[5]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]Ga[5]C[5]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<4>,7|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|Ga<4>,2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.2350	0.260	2	109.2838	0.022	6	109.2872	0.153	44	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5]2C[6])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5]2C[6])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5]2C[6])(C[6]N[5,6]HH)(H)2{5|C<4>,6|H<1>}	C[6](N[5,6]C[5]2C[6])(C[6]N[5,6]HH)(H)2{5|C<4>,6|H<1>}	H(C[6]N[5,6]C[6]H)	109.1634	0.099	16	109.1634	0.010	16	109.1634	0.010	16	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5]H)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6]H)(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5]H)(C[6]N[6,6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	C[6](N[6,6]C[3x6]C[6]H)(C[6]N[5,6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	H(C[6]N[5,6]C[6]H)	108.9135	0.032	2	108.9135	0.001	2	108.9135	0.001	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[5a,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]N[5a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]N[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]N[5a,6]C[6]H)	113.2082	1.146	4	113.2082	1.313	4	113.2082	1.313	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]O)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]O)(C[6]N[6,6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	H(C[6]N[6,6]C[6]H)	109.1980	0.092	4	109.1980	0.008	4	109.1980	0.008	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]B[6,6]C[6]Cr)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]B[6,6]C[6]Cr)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Cr<9>,1|B<4>,1|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	109.3023	0.015	3	109.3023	0.000	3	109.1286	1.575	276	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,1|N<3>,1|N<4>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,1|H<1>,1|P<4>}	H(C[6]N[6,6]C[6]H)	109.5065	0.016	2	109.5507	0.026	22	109.1286	1.575	276	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,1|N<3>,1|N<4>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,1|P<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	109.9070	0.004	2	109.5507	0.026	22	109.1286	1.575	276	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,2|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,1|H<1>,1|P<4>}	H(C[6]N[6,6]C[6]H)	109.4190	0.085	5	109.5507	0.026	22	109.1286	1.575	276	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,1|H<1>,1|P<4>}	H(C[6]N[6,6]C[6]H)	109.5533	0.123	13	109.5507	0.026	22	109.1286	1.575	276	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]O[6]HH)(H)2{1|B<4>,1|C<4>,1|H<1>}	H(C[6]N[6,6]C[6]H)	109.4285	0.045	6	109.4285	0.002	6	109.1286	1.575	276	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)2(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]N[6,6]HH)2(H)2{4|C<4>}	H(C[6]N[6,6]C[6]H)	109.0135	0.100	10	109.0135	0.010	10	109.1286	1.575	276	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]N[6,6]C[6]H)	109.5120	0.023	2	109.3357	0.068	9	109.1286	1.575	276	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]N[6,6]C[6]H)	109.2853	0.277	7	109.3357	0.068	9	109.1286	1.575	276	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)2(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]N[6,6]HH)2(H)2{1|H<1>,3|C<4>}	H(C[6]N[6,6]C[6]H)	109.4680	0.000	1	109.4680	0.000	1	109.1286	1.575	276	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[6]N[6,6]C[6]H)	109.4975	0.047	2	109.4207	0.006	8	109.1286	1.575	276	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]N[6,6]C[6]H)	109.3980	0.084	4	109.4207	0.006	8	109.1286	1.575	276	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|O<1>,1|O<2>,3|C<4>}	H(C[6]N[6,6]C[6]H)	109.3895	0.011	2	109.4207	0.006	8	109.1286	1.575	276	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]B)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]B)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	111.2180	1.665	2	111.2180	2.771	2	109.1286	1.575	276	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]N[6,6]C[6]H)	109.0190	0.011	2	109.0190	0.000	2	109.1286	1.575	276	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]N[6,6]C[6]H)	108.9207	0.053	4	108.9207	0.003	4	109.1286	1.575	276	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]Cu)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]Cu)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Cu<4>,2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	108.1354	1.914	12	108.2457	2.447	18	109.1286	1.575	276	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]Cu)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]Cu)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Cu<5>,2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	108.4663	0.415	6	108.2457	2.447	18	109.1286	1.575	276	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	109.2445	0.018	2	109.2445	0.000	2	109.1286	1.575	276	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]N[6,6]C[6]H)	109.6140	0.023	12	109.7271	1.026	46	109.1286	1.575	276	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	109.8935	0.062	2	109.7271	1.026	46	109.1286	1.575	276	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Si<4>,3|C<4>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	111.5987	1.774	4	109.7271	1.026	46	109.1286	1.575	276	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	109.5674	0.936	24	109.7271	1.026	46	109.1286	1.575	276	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	109.0700	0.049	4	109.7271	1.026	46	109.1286	1.575	276	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]Hg)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]Hg)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Hg<4>,2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	109.0725	0.482	4	109.0725	0.232	4	109.1286	1.575	276	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]Li)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]Li)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Li<4>,2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	108.4279	0.472	28	108.4279	0.223	28	109.1286	1.575	276	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]Ni)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]Ni)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Ni<4>,2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	108.9393	0.364	4	108.9393	0.133	4	109.1286	1.575	276	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]Pd)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]Pd)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Pd<4>,2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	109.1020	1.846	58	109.0910	4.434	62	109.1286	1.575	276	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]Pd)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]Pd)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Pd<5>,2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	108.9317	5.040	4	109.0910	4.434	62	109.1286	1.575	276	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]Rh)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]Rh)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Rh<6>,2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	108.5757	0.311	4	108.5757	0.097	4	109.1286	1.575	276	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]Zn)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]Zn)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Zn<4>,2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	108.9449	0.364	14	108.9449	0.132	14	109.1286	1.575	276	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6a]B[6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]B[6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<2>,3|C<3>,5|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	108.9317	0.234	7	108.9317	0.055	7	109.1286	1.575	276	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[6]H)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,7|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]N[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]N[6,6]C[6]H)	109.0470	0.066	3	109.0470	0.004	3	109.1286	1.575	276	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6]3)(C[6]C[6]HH)(H)2{3|C<4>,8|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]N[6,6]C[6]H)	109.0903	0.067	17	109.0903	0.005	17	109.1286	1.575	276	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6]H)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5]H)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6]H)(C[6]N[5,6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	C[6](N[5,6]C[5,6,6]C[5]H)(C[6]N[6,6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	H(C[6]N[6,6]C[6]H)	109.8340	0.000	1	109.8340	0.000	1	109.8340	0.000	1	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6]Cu)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6]Cu)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6]Cu)(C[6]N[6,6]HH)(H)2{1|C<5>,1|N<3>,2|H<1>,3|C<4>}	C[6](N[6,6]C[3x6]C[6]Cu)(C[6]N[6,6]HH)(H)2{1|H<1>,1|N<4>,5|C<4>}	H(C[6]N[6,6]C[6]H)	109.9280	0.035	2	109.9315	0.001	4	109.9315	0.001	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6]Cu)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6]Cu)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6]Cu)(C[6]N[6,6]HH)(H)2{1|H<1>,1|N<4>,5|C<4>}	C[6](N[6,6]C[3x6]C[6]Cu)(C[6]N[6,6]HH)(H)2{1|C<5>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]N[6,6]C[6]H)	109.9350	0.045	2	109.9315	0.001	4	109.9315	0.001	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]B[3x3,3x5,12x6]C[6]Mo)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]B[3x3,3x5,12x6]C[6]Mo)(C[6]C[6]HH)(H)2{1|C<4>,1|C<6>,3|B<6>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Mo<10>,1|B<6>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2105	0.358	4	109.2105	0.128	4	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]B[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]B[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	111.3590	0.416	2	111.3590	0.173	2	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]B[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]B[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	110.7320	0.047	2	110.7320	0.002	2	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]B[6,6]HP)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]B[6,6]HP)(C[6]C[6]HH)(H)2{1|F<1>,1|N<3>,1|N<4>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,1|P<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.9800	0.064	2	108.9800	0.004	2	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8095	0.023	2	109.8095	0.001	2	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	109.3530	0.068	2	109.3530	0.005	2	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6285	0.112	13	110.2487	2.693	15	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	114.2795	0.244	2	110.2487	2.693	15	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7570	0.035	3	109.4781	0.038	13	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3944	0.129	10	109.4781	0.038	13	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.5480	0.000	1	109.6540	0.009	3	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.7070	0.014	2	109.6540	0.009	3	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	108.7602	0.083	4	108.7602	0.007	4	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	109.2555	0.192	4	109.2555	0.037	4	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]CuC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]CuC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|Cu<4>,1|H<1>,1|N<4>,2|C<4>}	H(C[6]C[6]N[6]H)	109.7315	0.028	2	109.7315	0.001	2	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]CuH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]CuH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|Cu<3>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9920	0.064	2	109.9280	0.017	25	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]CuH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]CuH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|Cu<4>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9225	0.136	23	109.9280	0.017	25	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	111.4060	1.769	2	110.2260	1.476	6	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6360	0.158	4	110.2260	1.476	6	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]Mn2)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Mn2)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{2|Mn<9>,2|C<4>}	H(C[6]C[6]N[6]H)	109.4780	0.000	1	109.4780	0.000	1	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]PdC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]PdC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|Pd<4>,1|H<1>,1|N<4>,2|C<4>}	H(C[6]C[6]N[6]H)	109.4293	0.062	7	109.4293	0.004	7	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]PdH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]PdH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|Pd<4>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8400	0.000	1	109.8400	0.000	1	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5155	0.076	4	109.5155	0.006	4	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]Al2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]Al2)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|Al<4>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.1167	0.121	7	109.1167	0.015	7	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]AlC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]AlC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Al<4>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.0018	0.179	35	108.9848	0.032	39	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]AlC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]AlC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Al<5>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.8357	0.083	4	108.9848	0.032	39	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]AlH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]AlH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Al<5>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.9717	0.101	6	108.9717	0.010	6	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]AlN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]AlN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Al<5>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7710	0.116	3	109.7710	0.014	3	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CoH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CoH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Co<4>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.0375	0.067	6	109.1487	0.044	29	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CoH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CoH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Co<6>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.1777	0.226	23	109.1487	0.044	29	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CrC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CrC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2{1|Cr<8>,2|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	108.8223	0.025	3	108.8223	0.001	3	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CuC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CuC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Cu<4>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.6163	0.487	10	108.6899	0.180	14	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CuC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CuC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Cu<5>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.8738	0.067	4	108.6899	0.180	14	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CuC)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CuC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|Cu<5>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	107.3115	3.443	2	107.3115	11.854	2	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CuH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CuH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Cu<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4183	0.302	7	109.1707	0.176	12	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CuH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CuH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Cu<4>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.8240	0.300	5	109.1707	0.176	12	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]FeC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]FeC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Fe<7>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.7000	0.118	4	108.7000	0.014	4	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]FeH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]FeH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Fe<6>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.5915	0.068	4	108.5915	0.005	4	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]GaH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]GaH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ga<4>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	112.3483	1.495	4	112.3483	2.236	4	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]IrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]IrH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ir<6>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.0800	0.061	2	109.0800	0.004	2	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]Li2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]Li2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Li<3>,1|Li<4>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6]H)	109.0800	0.134	4	109.0195	0.020	6	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]Li2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]Li2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Li<3>,1|Li<5>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6]H)	108.8985	0.009	2	109.0195	0.020	6	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]LiC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]LiC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Li<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2973	0.150	12	109.4791	1.377	23	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]LiC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]LiC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Li<5>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.4677	2.902	4	109.4791	1.377	23	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]LiC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]LiC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Li<6>,1|C<4>,1|C<5>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2260	0.073	7	109.4791	1.377	23	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]MgC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]MgC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Mg<4>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.7267	0.330	9	108.9437	0.077	35	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]MgC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]MgC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Mg<5>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3190	0.024	4	108.9437	0.077	35	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]MgC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]MgC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Mg<6>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.9643	0.190	22	108.9437	0.077	35	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]MnC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]MnC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Mn<7>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.3995	0.171	4	108.3995	0.029	4	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]MnH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]MnH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Mn<6>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.7978	0.046	4	108.7978	0.002	4	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]MoC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]MoC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Mo<6>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3038	0.088	4	109.3038	0.008	4	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]NiC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]NiC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ni<4>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.8408	0.097	13	109.0015	0.070	29	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]NiC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]NiC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ni<6>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.1321	0.289	16	109.0015	0.070	29	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]NiC)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]NiC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|Ni<6>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	111.3070	0.016	2	112.0878	0.812	6	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]NiC)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]NiC)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)2(H)2{1|Ni<5>,3|C<4>}	H(C[6]C[6]N[6]H)	112.4783	0.863	4	112.0878	0.812	6	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]NiH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]NiH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ni<4>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.7260	1.048	4	108.9170	0.747	6	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]NiH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]NiH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ni<6>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2990	0.027	2	108.9170	0.747	6	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]OsH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]OsH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Os<9>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	115.9810	1.334	2	115.9810	1.778	2	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]PdC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]PdC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Pd<4>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.0066	0.192	8	108.9728	0.033	13	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]PdC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]PdC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Pd<4>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.9188	0.166	5	108.9728	0.033	13	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]PdH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]PdH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Pd<4>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.1312	0.060	11	109.1312	0.004	11	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]PtC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]PtC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Pt<4>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.7936	0.202	59	108.7936	0.041	59	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]PtH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]PtH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Pt<4>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.0897	0.032	3	109.2077	0.012	29	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]PtH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]PtH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Pt<4>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2520	0.082	22	109.2077	0.012	29	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]PtH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]PtH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Pt<5>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.0525	0.028	4	109.2077	0.012	29	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]RhH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]RhH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Rh<5>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7125	0.142	4	109.7125	0.020	4	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]Ru2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]RuC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]Ru2)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]RuC)(C[6]N[6]HH)(H)2{1|Ru<8>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	108.7220	1.346	2	108.7220	1.813	2	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]RuH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]RuH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ru<9>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3642	0.140	4	109.2038	0.132	6	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]RuH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]RuH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ru<8>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.8830	0.540	2	109.2038	0.132	6	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]TiH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]TiH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ti<8>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.0775	0.045	2	109.0775	0.002	2	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]TiN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]TiN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ti<7>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	108.7860	0.174	14	108.7860	0.030	14	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]ZnC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]ZnC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Zn<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2397	0.019	3	109.2761	0.038	10	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]ZnC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]ZnC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Zn<4>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2917	0.238	7	109.2761	0.038	10	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]ZnH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]ZnH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Zn<5>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.9760	0.055	3	108.9167	0.005	10	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]ZnH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]ZnH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Zn<6>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.8913	0.067	7	108.9167	0.005	10	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6]Al)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6]Al)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Al<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.1208	0.087	4	109.1208	0.008	4	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6]Cr)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6]Cr)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Cr<5>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.3265	0.347	4	109.0084	0.141	21	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6]Cr)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6]Cr)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Cr<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.1688	0.101	17	109.0084	0.141	21	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5047	0.117	3	109.5047	0.014	3	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7360	0.160	8	109.7360	0.026	8	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]Ga[4,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]N[4,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]Ga[4,6]CC)(C[6]C[6]HH)(H)2{2|Cl<1>,2|H<1>,2|N<3>}	C[6](C[6]N[4,6]HH)(C[6]N[6]HH)(H)2{1|Ga<5>,1|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	108.2630	0.000	1	108.2630	0.000	1	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]Ga[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]Ga[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{1|Ga<4>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	109.3080	0.108	3	109.3080	0.012	3	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]Nb[5x3,4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[4,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]Nb[5x3,4,6]HH)(C[6]C[6]HH)(H)2{3|Cl<1>,1|N<3>,2|H<1>,5|C<4>}	C[6](C[6]N[4,6]HH)(C[6]N[6]HH)(H)2{1|Nb<10>,1|Si<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8100	0.045	2	109.8100	0.002	2	109.2450	0.746	549	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CdC)(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CdC)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Cd<5>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4500	0.158	4	109.4500	0.025	4	109.4561	1.851	105	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CoC)(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CoC)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Co<5>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.6900	0.052	8	108.6900	0.003	8	109.4561	1.851	105	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CoH)(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CoH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|Co<4>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.0220	0.094	3	109.0220	0.009	3	109.4561	1.851	105	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CoH)(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CoH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Co<4>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2640	0.000	1	110.0674	3.912	7	109.4561	1.851	105	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CoH)(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CoH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Co<6>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.9965	0.050	4	110.0674	3.912	7	109.4561	1.851	105	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CoH)(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CoH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Co<6>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	112.6110	2.301	2	110.0674	3.912	7	109.4561	1.851	105	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CuC)(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CuC)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|Cu<5>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2780	0.014	3	109.2780	0.000	3	109.4561	1.851	105	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CuC)(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CuC)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Cu<5>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.9589	0.085	8	108.9589	0.007	8	109.4561	1.851	105	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Ni<6>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.0264	0.285	28	109.0264	0.081	28	109.4561	1.851	105	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]NiH)(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]NiH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Ni<6>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.8237	0.060	3	108.8237	0.004	3	109.4561	1.851	105	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]ZnH)(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]ZnH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Zn<4>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.1610	0.069	2	109.1610	0.005	2	109.4561	1.851	105	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5923	0.127	4	109.5923	0.016	4	109.4561	1.851	105	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7486	1.787	31	109.7486	3.192	31	109.4561	1.851	105	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CO)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	112.6045	1.997	4	112.6045	3.988	4	109.4561	1.851	105	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]AlC)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]AlC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]AlC)(C[6]N[6]HH)(H)2{1|Al<4>,2|C<4>,2|H<1>}	C[6](N[6]C[6]AlC)(C[6]N[6]HH)(H)2{1|Al<4>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.1818	0.059	9	109.6568	0.314	16	110.0794	3.610	184	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]AlC)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]AlC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]AlC)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[6]AlC)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.2674	0.086	7	109.6568	0.314	16	110.0794	3.610	184	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]AlC)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6]Al)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]AlC)(C[6]N[6]HH)(H)2{1|Al<4>,1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6]Al)(C[6]N[6]HH)(H)2{1|Al<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.6960	0.316	8	108.6960	0.100	8	110.0794	3.610	184	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CoC)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]CoC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CoC)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[6]CoC)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.1299	0.055	7	110.1299	0.003	7	110.0794	3.610	184	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CoH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]CoH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CoH)(C[6]N[6]HH)(H)2{1|Co<4>,1|C<4>,3|H<1>}	C[6](N[6]C[6]CoH)(C[6]N[6]HH)(H)2{1|Co<4>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6400	0.060	4	109.6400	0.004	4	110.0794	3.610	184	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CuC)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]CuC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CuC)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	C[6](N[6]C[6]CuC)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.1010	0.503	2	110.1855	9.027	65	110.0794	3.610	184	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CuC)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]CuC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CuC)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[6]CuC)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	112.4635	1.206	2	110.1855	9.027	65	110.0794	3.610	184	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CuC)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]CuC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CuC)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[6]CuC)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.1136	3.069	61	110.1855	9.027	65	110.0794	3.610	184	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CuH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]CuH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CuH)(C[6]N[6]HH)(H)2{1|Cu<4>,1|C<4>,3|H<1>}	C[6](N[6]C[6]CuH)(C[6]N[6]HH)(H)2{1|Cu<4>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.1623	0.031	7	109.1623	0.001	7	110.0794	3.610	184	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]FeC)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]FeC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]FeC)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[6]FeC)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.0136	0.115	13	110.0136	0.013	13	110.0794	3.610	184	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]MnC)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]MnC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]MnC)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[6]MnC)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.1895	0.166	8	110.1895	0.027	8	110.0794	3.610	184	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.4518	0.054	18	110.4518	0.003	18	110.0794	3.610	184	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]NiH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	C[6](N[6]C[6]NiH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.5116	0.099	7	110.5116	0.010	7	110.0794	3.610	184	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]NiH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]NiH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	110.5641	0.155	8	110.5641	0.024	8	110.0794	3.610	184	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]NiH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]NiH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]NiH)(C[6]N[6]HH)(H)2{1|C<4>,1|H<2>,2|H<1>}	C[6](N[6]C[6]NiH)(C[6]N[6]HH)(H)2{1|C<4>,1|H<2>,2|H<1>}	H(C[6]C[6]N[6]H)	111.6912	2.209	4	111.6912	4.881	4	110.0794	3.610	184	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]PdC)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]PdH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]PdC)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	C[6](N[6]C[6]PdH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.6300	1.178	2	110.6300	1.388	2	110.0794	3.610	184	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]PdH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]PdC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]PdH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[6]PdC)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	111.6170	2.622	2	111.6170	6.875	2	110.0794	3.610	184	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]PtC)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]PtH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]PtC)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	C[6](N[6]C[6]PtH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4475	0.286	4	109.4475	0.082	4	110.0794	3.610	184	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]PtH)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]PtC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]PtH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[6]PtC)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	110.4585	0.644	4	110.4585	0.415	4	110.0794	3.610	184	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6]Al)(C[6]N[6]HH)(H)2	C[6](N[6]C[6]AlC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6]Al)(C[6]N[6]HH)(H)2{1|Al<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6]AlC)(C[6]N[6]HH)(H)2{1|Al<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4393	0.192	7	109.4393	0.037	7	110.0794	3.610	184	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	P[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[5,6]C[5,6]C[5]S)(C[6]C[6]HH)(H)2	C[6](C[6]P[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]P[5,6]C[6]H)	C[6](P[5,6]C[5,6]C[5]S)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]P[5,6]HH)(C[6]C[6]HH)(H)2{1|S<1>,2|C<4>,2|H<1>}	H(C[6]P[5,6]C[6]H)	108.9477	5.125	4	108.9477	26.268	4	108.9477	26.268	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	P[6,6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6,6]C[6,6]C[6a]C[6])(C[6]B[6]HH)(H)2	C[6](B[6]C[6a]2N[6])(C[6]P[6,6]HH)(H)2	H(C[6]P[6,6]C[6]H)	C[6](P[6,6]C[6,6]C[6a]C[6])(C[6]B[6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>,4|C<3>}	C[6](B[6]C[6a]2N[6])(C[6]P[6,6]HH)(H)2{1|C<4>,7|C<3>}	H(C[6]P[6,6]C[6]H)	108.5615	0.050	2	108.5615	0.003	2	109.0874	0.270	11	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	P[6,6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6,6]C[6,6]C[6a]C[6])(C[6]B[6]HH)(H)2	C[6](B[6]C[6a]2O[6])(C[6]P[6,6]HH)(H)2	H(C[6]P[6,6]C[6]H)	C[6](P[6,6]C[6,6]C[6a]C[6])(C[6]B[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6](B[6]C[6a]2O[6])(C[6]P[6,6]HH)(H)2{1|C<4>,6|C<3>}	H(C[6]P[6,6]C[6]H)	109.4150	0.521	4	109.4150	0.271	4	109.0874	0.270	11	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	P[6,6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6,6]C[6,6]C[6a]C[6])(C[6]B[6]HH)(H)2	C[6](B[6]C[6a]2S[6])(C[6]P[6,6]HH)(H)2	H(C[6]P[6,6]C[6]H)	C[6](P[6,6]C[6,6]C[6a]C[6])(C[6]B[6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>,4|C<3>}	C[6](B[6]C[6a]2S[6])(C[6]P[6,6]HH)(H)2{1|C<4>,6|C<3>}	H(C[6]P[6,6]C[6]H)	108.7995	0.018	2	108.7995	0.000	2	109.0874	0.270	11	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	P[6,6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6,6]S[6,6]C[6a]C[6])(C[6]B[6]HH)(H)2	C[6](B[6]C[6a]2O[6])(C[6]P[6,6]HH)(H)2	H(C[6]P[6,6]C[6]H)	C[6](P[6,6]S[6,6]C[6a]C[6])(C[6]B[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6](B[6]C[6a]2O[6])(C[6]P[6,6]HH)(H)2{1|C<4>,1|S<3>,5|C<3>}	H(C[6]P[6,6]C[6]H)	109.1930	0.594	3	109.1930	0.353	3	109.0874	0.270	11	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	P[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6,6]C[6,6]C[6]S)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]P[6,6]HH)(H)2	H(C[6]P[6,6]C[6]H)	C[6](P[6,6]C[6,6]C[6]S)(C[6]C[6]HH)(H)2{2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]P[6,6]HH)(H)2{1|O<2>,1|S<1>,3|C<4>}	H(C[6]P[6,6]C[6]H)	112.7043	0.831	4	112.7043	0.691	4	112.7043	0.691	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	P[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6]C[5,6,6]C[6a]2)(C[6]B[6]HH)(H)2	C[6](B[6]C[5,6,6]C[6a]2)(C[6]P[6]HH)(H)2	H(C[6]C[6]P[6]H)	C[6](P[6]C[5,6,6]C[6a]2)(C[6]B[6]HH)(H)2{1|H<1>,2|C<4>,6|C<3>}	C[6](B[6]C[5,6,6]C[6a]2)(C[6]P[6]HH)(H)2{1|H<1>,2|C<4>,6|C<3>}	H(C[6]C[6]P[6]H)	110.3780	0.008	2	110.3780	0.000	2	109.8200	0.411	23	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	P[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6]C[5,6]C[6a]2)(C[6]B[6]HH)(H)2	C[6](B[6]C[5,6]C[6a]2)(C[6]P[6]HH)(H)2	H(C[6]C[6]P[6]H)	C[6](P[6]C[5,6]C[6a]2)(C[6]B[6]HH)(H)2{1|C<4>,1|H<1>,7|C<3>}	C[6](B[6]C[5,6]C[6a]2)(C[6]P[6]HH)(H)2{1|H<1>,2|C<4>,6|C<3>}	H(C[6]C[6]P[6]H)	110.4890	0.028	2	110.4890	0.001	2	109.8200	0.411	23	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	P[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(H)2	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2{1|C<4>,2|H<1>,6|C<3>}	H(C[6]C[6]P[6]H)	110.1105	0.008	2	110.2062	0.013	4	109.8200	0.411	23	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	P[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(H)2	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(H)2{8|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2{1|P<3>,7|C<3>}	H(C[6]C[6]P[6]H)	110.3020	0.034	2	110.2062	0.013	4	109.8200	0.411	23	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	P[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(H)2	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(H)2{1|H<1>,1|O<2>,7|C<3>}	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2{1|C<4>,6|C<3>}	H(C[6]C[6]P[6]H)	109.8075	0.358	4	109.8075	0.128	4	109.8200	0.411	23	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	P[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6]C[6a]2N[6])(C[6]B[6]HH)(H)2	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]2N[6])(C[6]B[6]HH)(H)2{1|O<2>,7|C<3>}	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2{1|N<3>,6|C<3>}	H(C[6]C[6]P[6]H)	108.2915	0.011	2	108.2915	0.000	2	109.8200	0.411	23	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	P[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6]C[6a]C[6]H)(C[6]B[6]HH)(H)2	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]C[6]H)(C[6]B[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2{1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6]P[6]H)	109.6396	0.425	8	109.7209	0.218	9	109.8200	0.411	23	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	P[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6]C[6a]C[6]H)(C[6]B[6]HH)(H)2	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]C[6]H)(C[6]B[6]HH)(H)2{6|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2{2|H<1>,6|C<3>}	H(C[6]C[6]P[6]H)	110.3710	0.000	1	109.7209	0.218	9	109.8200	0.411	23	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]P[6]HH)(H)2	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]2C[6])(C[6]C[3,6]HH)(H)2{1|H<1>,2|C<4>,5|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]P[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]P[6]H)	110.3735	0.036	2	110.3735	0.001	2	110.3735	0.001	2	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6]C[5,6]C[6a]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]P[6]HH)(H)2	H(C[6]C[6]P[6]H)	C[6](P[6]C[5,6]C[6a]2)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,5|C<3>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]P[6]HH)(H)2{1|B<4>,1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]P[6]H)	109.1580	0.016	2	109.1580	0.000	2	109.0228	0.026	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6]C[6,6]SeC)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]P[6]HH)(H)2	H(C[6]C[6]P[6]H)	C[6](P[6]C[6,6]SeC)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]P[6]HH)(H)2{1|Se<1>,3|C<4>,4|H<1>}	H(C[6]C[6]P[6]H)	108.8875	0.077	2	108.8875	0.006	2	109.0228	0.026	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6]C[6]PtC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]P[6]HH)(H)2	H(C[6]C[6]P[6]H)	C[6](P[6]C[6]PtC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]P[6]HH)(H)2{1|Pt<4>,2|C<4>,2|H<1>}	H(C[6]C[6]P[6]H)	109.1852	0.373	11	109.1852	0.139	11	108.9659	0.122	44	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]P[6]HH)2(H)2	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]2C[6])(C[6]C[6]HH)(H)2{1|Ga<4>,1|P<4>,2|H<1>,4|C<3>}	C[6](C[6]P[6]HH)2(H)2{5|C<3>}	H(C[6]C[6]P[6]H)	108.8485	0.133	4	108.8485	0.018	4	108.9659	0.122	44	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6]C[6a]2P[6])(C[6]C[6]HH)(H)2	C[6](C[6]P[6]HH)2(H)2	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]2P[6])(C[6]C[6]HH)(H)2{1|P<4>,2|H<1>,4|C<3>}	C[6](C[6]P[6]HH)2(H)2{1|P<2>,4|C<3>}	H(C[6]C[6]P[6]H)	108.7828	0.252	23	108.7828	0.064	23	108.9659	0.122	44	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6]C[6a]C[6]Pt)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]P[6]HH)(H)2	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]C[6]Pt)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]P[6]HH)(H)2{1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]P[6]H)	109.3440	0.184	6	109.3440	0.034	6	108.9659	0.122	44	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	P[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6]C[6,6a]C[6a]2)(C[6]P[6]HH)(H)2	C[6](P[6]C[6,6a]C[6a]2)(C[6]P[6]HH)(H)2	H(C[6]C[6]P[6]H)	C[6](P[6]C[6,6a]C[6a]2)(C[6]P[6]HH)(H)2{8|C<3>}	C[6](P[6]C[6,6a]C[6a]2)(C[6]P[6]HH)(H)2{8|C<3>}	H(C[6]C[6]P[6]H)	107.5803	0.385	4	107.5803	0.148	4	109.0089	0.865	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	P[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6]C[6a]C[6]B)(C[6]P[6]HH)(H)2	C[6](P[6]C[6a]C[6]B)(C[6]P[6]HH)(H)2	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]C[6]B)(C[6]P[6]HH)(H)2{1|B<4>,1|C<4>,2|H<1>,3|C<3>}	C[6](P[6]C[6a]C[6]B)(C[6]P[6]HH)(H)2{1|B<4>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]P[6]H)	109.1853	0.042	3	109.1853	0.002	3	109.0089	0.865	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	P[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6]C[6a]C[6]Cr)(C[6]P[6]HH)(H)2	C[6](P[6]C[6a]C[6]Cr)(C[6]P[6]HH)(H)2	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]C[6]Cr)(C[6]P[6]HH)(H)2{1|Cr<6>,1|C<4>,2|H<1>,3|C<3>}	C[6](P[6]C[6a]C[6]Cr)(C[6]P[6]HH)(H)2{1|Cr<6>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]P[6]H)	108.6731	0.423	7	108.6731	0.179	7	109.0089	0.865	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	P[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6]C[6a]C[6]Pt)(C[6]P[6]HH)(H)2	C[6](P[6]C[6a]C[6]Pt)(C[6]P[6]HH)(H)2	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]C[6]Pt)(C[6]P[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](P[6]C[6a]C[6]Pt)(C[6]P[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]P[6]H)	109.9509	0.269	8	109.9509	0.073	8	109.0089	0.865	22	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]CH)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	C[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]S[6]HH)(H)2{2|C<3>,2|O<1>}	H(C[6]C[6]S[6]H)	109.2318	0.175	4	109.2318	0.031	4	109.2318	0.031	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	Si[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](Si[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]Si[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]Si[5,6]C[6]H)	C[6](Si[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{1|B<3>,1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]Si[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]Si[5,6]C[6]H)	108.5880	1.150	2	109.7523	2.421	4	109.3875	1.199	8	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	Si[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](Si[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]Si[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]Si[5,6]C[6]H)	C[6](Si[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{4|H<1>,5|C<3>}	C[6](C[6]Si[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]Si[5,6]C[6]H)	110.9165	0.721	2	109.7523	2.421	4	109.3875	1.199	8	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	Si[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](Si[5,6]N[5,6]O[5]O)(C[6]C[6]HH)(H)2	C[6](C[6]Si[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]Si[5,6]C[6]H)	C[6](Si[5,6]N[5,6]O[5]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]Si[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|O<2>}	H(C[6]Si[5,6]C[6]H)	109.0228	0.145	4	109.0228	0.021	4	109.3875	1.199	8	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	Si[5,6]-4:C[6]-4:H-1:H-1:	Si[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](Si[5,6]C[5,6a]2C[6])(C[6]Si[5,6]HH)(H)2	C[6](Si[5,6]C[5,6a]2C[6])(C[6]Si[5,6]HH)(H)2	H(C[6]Si[5,6]C[6]H)	C[6](Si[5,6]C[5,6a]2C[6])(C[6]Si[5,6]HH)(H)2{1|C<4>,2|H<1>,6|C<3>}	C[6](Si[5,6]C[5,6a]2C[6])(C[6]Si[5,6]HH)(H)2{1|C<4>,2|H<1>,6|C<3>}	H(C[6]Si[5,6]C[6]H)	108.9605	0.043	4	108.9605	0.002	4	108.9605	0.002	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](Si[6]C[5,6]C[6a]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]Si[6]HH)(H)2	H(C[6]Si[6]C[6]H)	C[6](Si[6]C[5,6]C[6a]C)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]Si[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]Si[6]C[6]H)	110.3555	3.079	2	110.3555	9.483	2	109.0439	1.272	32	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](Si[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]Si[6]HH)2(H)2	H(C[6]Si[6]C[6]H)	C[6](Si[6]C[6]CC)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<2>,2|H<1>}	C[6](C[6]Si[6]HH)2(H)2{1|C<3>,4|C<4>}	H(C[6]Si[6]C[6]H)	107.9880	0.052	4	107.9880	0.003	4	109.0439	1.272	32	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](Si[6]C[6]Cl2)(C[6]C[6]HH)(H)2	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2	H(C[6]Si[6]C[6]H)	C[6](Si[6]C[6]Cl2)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2{2|Cl<1>,1|C<4>,2|H<1>}	H(C[6]Si[6]C[6]H)	109.8850	0.084	3	109.8850	0.007	3	109.0439	1.272	32	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](Si[6]C[6]N[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2	H(C[6]Si[6]C[6]H)	C[6](Si[6]C[6]N[5]2)(C[6]C[6]HH)(H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]Si[6]C[6]H)	109.8058	0.405	4	109.8058	0.164	4	109.0439	1.272	32	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](Si[6]C[6]OO)(C[6]C[6]HH)(H)2	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2	H(C[6]Si[6]C[6]H)	C[6](Si[6]C[6]OO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]Si[6]C[6]H)	108.9967	0.772	11	108.9967	0.596	11	109.0439	1.272	32	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2	H(C[6]Si[6]C[6]H)	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]Si[6]C[6]H)	109.3595	0.008	2	109.6675	0.128	4	109.0439	1.272	32	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2	H(C[6]Si[6]C[6]H)	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]Si[6]C[6]H)	109.9755	0.064	2	109.6675	0.128	4	109.0439	1.272	32	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](Si[6]P[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]Si[6]HH)2(H)2	H(C[6]Si[6]C[6]H)	C[6](Si[6]P[6]CC)(C[6]C[6]HH)(H)2{1|Si<4>,2|C<3>,2|H<1>}	C[6](C[6]Si[6]HH)2(H)2{1|P<4>,4|C<4>}	H(C[6]Si[6]C[6]H)	107.5572	0.331	4	107.5572	0.110	4	109.0439	1.272	32	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](Si[6]C[6a]2C[6])(C[6]N[6]HH)(H)2	C[6](C[6]Si[6]HH)(N[6]C[6]HH)(H)2	H(C[6]Si[6]C[6]H)	C[6](Si[6]C[6a]2C[6])(C[6]N[6]HH)(H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]Si[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]Si[6]C[6]H)	109.2030	0.251	4	109.2030	0.063	4	109.2030	0.063	4	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	Si[6]-4:C[6]-4:H-1:H-1:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](Si[6]C[6,6a]CC)(C[6]Si[6]HH)(H)2	C[6](Si[6]C[6,6a]CC)(C[6]Si[6]HH)(H)2	H(C[6]Si[6]C[6]H)	C[6](Si[6]C[6,6a]CC)(C[6]Si[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](Si[6]C[6,6a]CC)(C[6]Si[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]Si[6]C[6]H)	109.1723	0.238	15	109.1723	0.057	15	108.9198	0.171	26	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	Si[6]-4:C[6]-4:H-1:H-1:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](Si[6]C[6]Si2)(C[6]Si[6]HH)(H)2	C[6](Si[6]C[6]Si2)(C[6]Si[6]HH)(H)2	H(C[6]Si[6]C[6]H)	C[6](Si[6]C[6]Si2)(C[6]Si[6]HH)(H)2{2|Si<4>,1|C<4>,2|H<1>}	C[6](Si[6]C[6]Si2)(C[6]Si[6]HH)(H)2{2|Si<4>,1|C<4>,2|H<1>}	H(C[6]Si[6]C[6]H)	108.7966	0.140	7	108.7966	0.020	7	108.9198	0.171	26	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	Si[6]-4:C[6]-4:H-1:H-1:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](Si[6]Si[6]Si2)(C[6]Si[6]HH)(H)2	C[6](Si[6]Si[6]Si2)(C[6]Si[6]HH)(H)2	H(C[6]Si[6]C[6]H)	C[6](Si[6]Si[6]Si2)(C[6]Si[6]HH)(H)2{3|Si<4>,2|C<4>}	C[6](Si[6]Si[6]Si2)(C[6]Si[6]HH)(H)2{3|Si<4>,2|C<4>}	H(C[6]Si[6]C[6]H)	108.1887	0.231	4	108.1887	0.053	4	108.9198	0.171	26	109.3376	0.623	166902	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	B[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](B[6]C[6a]2C[6])(C[6]P[6]HO)(H)2	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(OC)(H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6]P[6]HO)(H)2{1|C<4>,2|H<1>,6|C<3>}	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(OC)(H){1|C<4>,2|H<1>,6|C<3>}	H(C[6]B[6]C[6]H)	107.8205	0.006	2	107.8205	0.000	2	107.8205	0.000	2	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6]C[6]HO)(H)2	C[6](C[6]C[3,5,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[3,5,6]C[6]H)	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[3,5,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3,5,6]C[6]H)	110.2505	0.021	2	110.2505	0.000	2	110.2505	0.000	2	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]2C)(C[6]C[3,6,6]HH)(OH)(H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HO)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[3,6,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[3,6,6]C[6]H)	107.8780	0.044	2	107.8780	0.002	2	107.8780	0.002	2	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]HO)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]HO)(H)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[3,6,6]C[6]H)	108.9915	0.050	2	108.9915	0.003	2	109.2351	0.139	17	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HO)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3,6,6]C[6]H)	108.5340	0.017	2	108.5340	0.000	2	109.2351	0.139	17	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HO)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(OS)(H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(OS)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3,6,6]C[6]H)	109.2695	0.006	2	109.2695	0.000	2	109.2351	0.139	17	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3,6,6]C[6]H)	109.5468	0.182	4	109.3552	0.065	10	109.2351	0.139	17	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3,6,6]C[6]H)	109.2275	0.221	6	109.3552	0.065	10	109.2351	0.139	17	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3,6,6]C[6]H)	109.8540	0.000	1	109.8540	0.000	1	109.2351	0.139	17	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]HH)(OH)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]HO)(H)2{2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]HH)(OH)(H){4|C<4>,4|H<1>}	H(C[6]C[3,6]C[6]H)	109.4950	0.018	2	109.4950	0.000	2	109.6916	0.870	5	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6]HH)(OC)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5,6]HO)(H)2{1|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6]HH)(OC)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[3,6]C[6]H)	111.3170	0.000	1	111.3170	0.000	1	109.6916	0.870	5	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]HH)(OH)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]HO)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]HH)(OH)(H){1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[3,6]C[6]H)	109.0755	0.026	2	109.0755	0.001	2	109.6916	0.870	5	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(OH)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HO)(H)2{4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[3,6]C[6]H)	108.9930	0.030	2	108.9930	0.001	2	108.9930	0.001	2	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CN)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CN)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[3,6]C[6]H)	106.8790	1.717	2	106.8790	2.948	2	106.8790	2.948	2	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HH)(OSi)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HH)(OSi)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	109.0500	0.628	2	109.0500	0.394	2	108.8744	0.802	20	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HO)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[3,6]C[6]H)	109.3830	1.626	4	109.3830	2.644	4	108.8744	0.802	20	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(OC[6a])(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HO)(H)2{2|H<1>,4|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(OC[6a])(H){2|C<4>,3|H<1>}	H(C[6]C[3,6]C[6]H)	107.8070	0.110	4	107.8070	0.012	4	108.8744	0.802	20	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[3,6]C[6]H)	108.8727	0.177	4	108.8727	0.031	4	108.8744	0.802	20	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HO)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OSi)(H){1|O<2>,4|C<4>}	H(C[6]C[3,6]C[6]H)	109.1155	0.035	2	109.1155	0.001	2	108.8744	0.802	20	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[3,6]C[6]H)	108.8680	0.024	2	108.8680	0.001	2	108.8744	0.802	20	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(OH)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(H)2{4|H<1>,5|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	109.5855	0.033	2	109.5855	0.001	2	108.8744	0.802	20	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	108.6850	1.051	6	108.7978	0.832	8	108.7956	0.728	9	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	109.1360	0.011	2	108.7978	0.832	8	108.7956	0.728	9	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	108.7780	0.000	1	108.7780	0.000	1	108.7956	0.728	9	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]H)	108.6892	0.239	5	108.5724	0.078	7	108.6209	0.126	17	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]H)	108.2805	0.016	2	108.5724	0.078	7	108.6209	0.126	17	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]H)	108.6549	0.410	10	108.6549	0.168	10	108.6209	0.126	17	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]O[6]H)(H)2	C[6](C[6]C[6,6]C[6]C)(C[6]C[4,6]HH)(O[6]C[6])(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]O[6]H)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]C[6]C)(C[6]C[4,6]HH)(O[6]C[6])(H){1|O<1>,2|H<1>,7|C<4>}	H(C[6]C[4,6]C[6]H)	110.0120	0.195	5	110.0740	0.037	7	110.0740	0.037	7	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]O[6]H)(H)2	C[6](C[6]C[6,6]C[6]C)(C[6]C[4,6]HH)(O[6]C[6])(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]O[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]C[6]C)(C[6]C[4,6]HH)(O[6]C[6])(H){1|O<1>,2|H<1>,7|C<4>}	H(C[6]C[4,6]C[6]H)	110.2290	0.014	2	110.0740	0.037	7	110.0740	0.037	7	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6]HO)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[4x6]C[6]H)	109.1155	0.005	2	109.1155	0.000	2	108.9305	0.046	4	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[4x6]C[6,6,6a]C[3x6]C[6,6])(C[6]C[6]HO)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[6,6,6a]C[3x6]C[6,6])(C[6]C[6]HO)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,4|C<4>}	H(C[6]C[4x6]C[6]H)	108.7455	0.005	2	108.7455	0.000	2	108.9305	0.046	4	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[6]C[6]HO)(H)2	C[6](C[6]C[5,3x6]HH)(C[6]O[6]CC)(OH)(H)	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[6]C[6]HO)(H)2{1|O<1>,2|H<1>,2|O<2>,5|C<4>}	C[6](C[6]C[5,3x6]HH)(C[6]O[6]CC)(OH)(H){1|C<3>,2|C<4>}	H(C[6]C[5,3x6]C[6]H)	109.2260	0.000	1	109.2260	0.000	1	109.2260	0.000	1	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[3x5,6]C[5,6]2)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,5,6,6]HH)(C[6]O[6]CC)(OH)(H)	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[3x5,6]C[5,6]2)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[5,5,6,6]HH)(C[6]O[6]CC)(OH)(H){1|C<3>,2|C<4>}	H(C[6]C[5,5,6,6]C[6]H)	109.5855	0.013	2	109.5855	0.000	2	109.5855	0.000	2	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,5,6]HH)(OH)(H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]HO)(H)2{2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,5,6]HH)(OH)(H){1|O<1>,1|O<2>,5|C<4>}	H(C[6]C[5,5,6]C[6]H)	109.3430	1.356	2	109.3430	1.839	2	109.3430	1.839	2	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]HO)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,5,6]C[6]H)	106.8170	2.968	2	106.8170	8.812	2	107.5060	2.477	7	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]CO)(OH)(H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HO)(H)2{1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]CO)(OH)(H){5|C<4>}	H(C[6]C[5,5,6]C[6]H)	108.5440	0.031	2	108.5440	0.001	2	107.5060	2.477	7	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HO)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,5,6]C[6]H)	108.3230	0.000	1	108.3230	0.000	1	107.5060	2.477	7	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HO)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CO)(OH)(H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HO)(H)2{1|O<2>,4|H<1>,6|C<4>}	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CO)(OH)(H){1|H<1>,4|C<4>}	H(C[6]C[5,5,6]C[6]H)	106.7485	1.064	2	106.7485	1.133	2	107.5060	2.477	7	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[4x6]HO)(H)2	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,6,6]HH)(OH)(H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[4x6]HO)(H)2{1|C<3>,2|H<1>,3|O<2>,5|C<4>}	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,6,6]HH)(OH)(H){1|C<3>,7|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.6225	0.030	2	108.6225	0.001	2	108.6225	0.001	2	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,5,6]HO)(H)2	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6,6]HH)(OC)(H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,5,6]HO)(H)2{1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6,6]HH)(OC)(H){1|C<3>,1|H<1>,7|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.9243	0.028	4	108.9243	0.001	4	108.9243	0.001	4	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6,6]C[3x5,3x6]C[5,6]H)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[4x5,6,6]O[5]C)(C[6]C[5,6,6]HH)(OH)(H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[3x5,3x6]C[5,6]H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[4x5,6,6]O[5]C)(C[6]C[5,6,6]HH)(OH)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.9030	0.000	1	108.9030	0.000	1	108.0095	4.699	11	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]O[5])(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(OC)(H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]O[5])(C[6]C[5,6]HO)(H)2{1|O<2>,2|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6]H)	107.4932	0.091	6	107.4932	0.008	6	108.0095	4.699	11	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6,6]HH)(OH)(H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[5,6]HO)(H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6,6]HH)(OH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.5605	3.801	4	108.5605	14.447	4	108.0095	4.699	11	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(OC)(H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HO)(H)2{1|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(OC)(H){1|C<3>,7|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.5092	0.405	5	108.5092	0.164	5	108.5092	0.164	5	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(H)2{1|Si<4>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	107.8770	0.000	1	107.8770	0.000	1	109.1275	0.391	6	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.5000	0.093	2	109.5000	0.009	2	109.1275	0.391	6	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[5,6,6]C[6]H)	109.4140	0.000	1	109.4140	0.000	1	109.1275	0.391	6	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]O[6,6]C[5])(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6,6]CH)(C[6]C[5,6,6]HH)(OH)(H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]O[6,6]C[5])(C[6]C[6]HO)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[6](C[6]C[5,6,6]CH)(C[6]C[5,6,6]HH)(OH)(H){1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.2370	0.010	2	109.2370	0.000	2	109.1275	0.391	6	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(F)(H)	C[6](C[6]C[5,6]FH)2(OH)(H)	H(C[6]C[5,6]C[6]F)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(F)(H){1|C<4>,1|F<1>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]FH)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]F)	109.6638	0.089	6	109.6638	0.008	6	109.8782	0.049	13	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(F)(H)	C[6](C[6]C[5,6]FH)2(OH)(H)	H(C[6]C[5,6]C[6]F)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(F)(H){1|F<1>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]FH)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]F)	110.0619	0.074	7	110.0619	0.006	7	109.8782	0.049	13	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HO)(H)2	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HO)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(OH)(H){1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	108.3440	0.018	2	108.3440	0.000	2	108.3440	0.000	2	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[3,6]HO)(H)2	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]HH)(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[3,6]HO)(H)2{3|H<1>,5|C<4>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.0060	0.006	2	109.0060	0.000	2	109.2278	0.171	6	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[3,6]HO)(H)2	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[3,6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3388	0.486	4	109.3388	0.236	4	109.2278	0.171	6	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HO)(H)2	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	108.9085	0.040	2	108.9665	0.006	4	108.9389	0.003	8	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HO)(H)2	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OC)(H){1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.0245	0.039	2	108.9665	0.006	4	108.9389	0.003	8	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HO)(H)2	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	108.9112	0.024	4	108.9112	0.001	4	108.9389	0.003	8	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,3x6]C[5]H)(C[6]C[4x6]HO)(H)2	C[6](C[4x6]C[5,5x6]C[5x6]H)(C[6]C[5,6]HH)(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,3x6]C[5]H)(C[6]C[4x6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[4x6]C[5,5x6]C[5x6]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.1130	0.011	2	109.1130	0.000	2	108.4735	0.545	4	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[4x6]HO)(H)2	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[4x6]HO)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,6]HH)(OH)(H){1|C<3>,7|C<4>}	H(C[6]C[5,6]C[6]H)	107.8340	0.018	2	107.8340	0.000	2	108.4735	0.545	4	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[5,6]HO)(H)2{2|H<1>,6|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(OH)(H){3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	107.4130	0.999	8	107.4130	0.999	8	108.2625	0.990	21	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[5,6]C[6]H)	108.3248	0.129	4	108.3248	0.017	4	108.2625	0.990	21	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.4153	0.345	3	108.4153	0.119	3	108.2625	0.990	21	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(OC)(H){1|C<2>,1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.9260	0.006	2	108.9260	0.000	2	108.2625	0.990	21	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.5710	0.000	1	109.3820	0.027	3	108.2625	0.990	21	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2{1|C<4>,1|N<2>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2875	0.028	2	109.3820	0.027	3	108.2625	0.990	21	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2{1|C<4>,1|N<2>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.6660	0.000	1	109.6660	0.000	1	108.2625	0.990	21	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){3|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	108.6400	0.027	2	108.6400	0.001	2	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.2060	0.064	2	109.1642	0.005	4	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.1225	0.053	2	109.1642	0.005	4	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OS)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OS)(H){1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.3937	0.050	3	109.3937	0.003	3	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|F<1>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	108.9015	0.043	2	108.9015	0.002	2	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	108.9601	0.046	7	108.9601	0.002	7	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|H<1>,1|N<3>,1|O<2>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(OC)(H){1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	108.3765	0.046	2	108.3765	0.002	2	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.0530	0.042	2	109.0530	0.002	2	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OH)(H){3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.4248	0.089	4	109.4248	0.008	4	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,7|C<4>}	H(C[6]C[5,6]C[6]H)	109.1480	0.049	2	109.1480	0.002	2	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[5,6]HH)(OH)(H){1|C<3>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.0602	0.066	6	109.0602	0.004	6	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]2Br)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|Br<1>,1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]2Br)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	108.9800	0.052	2	108.7650	0.063	4	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]2Br)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|Br<1>,1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]2Br)(C[6]C[5,6]HH)(OH)(H){1|H<1>,3|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.5500	0.011	2	108.7650	0.063	4	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]2Cl)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|Cl<1>,1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]2Cl)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	108.9347	0.133	11	108.9752	0.025	13	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]2Cl)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|Cl<1>,1|H<1>,1|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]2Cl)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.1975	0.022	2	108.9752	0.025	13	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|F<1>,1|H<1>,1|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(OC)(H){1|H<1>,3|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.3870	1.069	2	109.3870	1.143	2	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|F<1>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	108.8218	0.350	10	109.1062	0.555	12	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|F<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	110.5280	0.396	2	109.1062	0.555	12	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.0175	0.049	2	108.9544	0.040	8	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H){1|H<1>,3|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.6760	0.040	2	108.9544	0.040	8	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.1895	0.022	2	108.9544	0.040	8	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	108.9345	0.011	2	108.9544	0.040	8	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	108.9887	0.037	6	108.7772	0.573	23	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	107.4575	2.497	2	108.7772	0.573	23	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]H)	108.1010	0.007	2	108.7772	0.573	23	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	108.8787	0.104	4	108.7772	0.573	23	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.4730	0.062	2	108.7772	0.573	23	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,3|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.2530	0.059	2	108.7772	0.573	23	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	108.3830	0.000	1	108.7772	0.573	23	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]H)	108.8905	0.062	2	108.7772	0.573	23	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	108.8480	0.014	2	108.7772	0.573	23	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(OH)(H){3|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.2760	0.055	2	109.2760	0.003	2	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OC)(H){2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	107.6075	0.933	2	107.6075	0.870	2	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OC)(H){1|H<1>,3|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.8893	0.073	6	108.8893	0.005	6	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	108.5697	0.106	4	108.6554	0.022	7	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,3|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.7697	0.125	3	108.6554	0.022	7	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OC)(H){1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.1155	0.043	2	109.1155	0.002	2	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	108.7100	0.000	1	109.0610	0.051	9	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.1403	0.180	4	109.0610	0.051	9	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.2630	0.010	2	109.0610	0.051	9	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,3|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.8760	0.095	2	109.0610	0.051	9	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.1190	0.037	2	108.1190	0.001	2	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]H)	109.7165	0.066	2	109.7165	0.004	2	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OS)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OS)(H){4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.2135	0.018	2	109.2135	0.000	2	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]HH)(OH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	110.0085	0.022	2	110.0085	0.000	2	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|C<4>,1|N<2>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2310	0.013	2	108.7931	0.227	12	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|C<4>,1|N<3>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.5758	0.052	6	108.7931	0.227	12	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0625	1.090	2	108.7931	0.227	12	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|N<4>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.7375	0.692	2	108.7931	0.227	12	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5]2O[6])(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2O[6])(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(OC)(H){1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.7425	0.032	2	109.7425	0.001	2	108.9571	0.276	146	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]O[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[5]C[5]2H)(O[6]C[5,6])(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]O[6]H)(H)2{1|C<3>,1|H<1>,2|O<2>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[5]C[5]2H)(O[6]C[5,6])(H){1|H<1>,1|O<1>,2|O<2>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.1665	0.040	2	109.1665	0.002	2	109.1665	0.002	2	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	111.3430	5.416	2	111.3430	29.338	2	111.3430	29.338	2	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[3,5,6]N[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HH)(OSi)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5,6]N[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HH)(OSi)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.5465	0.077	2	108.5465	0.006	2	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[3,5]N[5,6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)2(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5]N[5,6]H)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)2(OC)(H){1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.8016	0.174	12	108.8016	0.030	12	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H){2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.4155	0.012	2	109.4155	0.000	2	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<3>,2|O<2>,3|C<4>}	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.8765	0.019	2	108.8765	0.000	2	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HO)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(OH)(H){1|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	107.8995	0.214	4	108.6988	0.591	11	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HO)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(OH)(H){2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.1556	0.541	7	108.6988	0.591	11	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	110.5143	0.051	3	110.5143	0.003	3	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.3050	1.690	4	108.3050	2.856	4	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]ClC)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(H)2{1|Cl<1>,1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]ClC)(OH)(H){2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	107.0920	4.107	2	107.0920	16.866	2	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.6975	0.043	2	109.6975	0.002	2	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	107.3905	1.658	2	108.3852	2.236	4	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.3800	0.021	2	108.3852	2.236	4	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.9520	0.049	4	109.3736	0.238	8	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.7952	0.280	4	109.3736	0.238	8	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OSi)(H){2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.8900	0.000	1	108.8900	0.000	1	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.3765	2.043	2	108.3765	4.173	2	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.6005	0.012	2	108.6005	0.000	2	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)2(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)2(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1450	0.010	2	109.1450	0.000	2	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	110.2295	0.042	2	110.2295	0.002	2	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.5393	2.246	4	109.5393	5.044	4	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.0180	0.049	2	109.0180	0.002	2	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.9695	0.050	2	109.7947	0.123	4	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.6200	0.494	2	109.7947	0.123	4	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.0007	0.193	4	109.6011	0.265	8	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0050	0.053	3	109.6011	0.265	8	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.7910	0.000	1	109.6011	0.265	8	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<3>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0187	0.080	4	109.0187	0.006	4	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(OSi)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(OSi)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1112	0.268	4	109.1112	0.072	4	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2605	1.459	2	109.0349	0.259	10	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.9785	0.102	8	109.0349	0.259	10	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]CH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	109.1130	0.000	1	109.1130	0.000	1	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)2(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)2(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.9740	0.042	2	108.9740	0.002	2	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.4038	1.572	4	108.4038	2.472	4	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.7223	0.225	4	108.7223	0.051	4	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HO)(H)2{1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	107.7885	0.199	2	107.7885	0.039	2	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.2985	2.077	4	109.2985	4.314	4	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OS)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OS)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.6095	0.010	4	109.6095	0.000	4	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]N[5,5,6]C[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)2(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)2(OC)(H){1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.9965	0.823	30	108.9965	0.678	30	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.8310	0.020	2	109.5910	0.077	4	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H){1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3510	0.020	2	109.5910	0.077	4	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.6430	0.045	2	109.3730	0.042	7	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H){1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2650	0.110	5	109.3730	0.042	7	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.4940	0.552	2	109.5340	0.064	6	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|H<1>,1|N<4>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.5985	0.018	2	109.5340	0.064	6	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|H<1>,1|N<4>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.5095	0.028	2	109.5340	0.064	6	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.4700	0.016	2	109.4700	0.000	2	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)2(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)2(OC)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1270	0.054	2	109.4229	5.102	16	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)2(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)2(OC)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.4652	2.423	14	109.4229	5.102	16	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)2(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)2(OH)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	107.9440	1.268	4	107.9440	1.609	4	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)2(OS)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)2(OS)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0905	0.018	2	108.8371	0.057	15	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)2(OS)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)2(OS)(H){1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.9522	0.131	6	108.8371	0.057	15	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)2(OS)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)2(OS)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0710	0.000	1	108.8371	0.057	15	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)2(OS)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)2(OS)(H){1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.5987	0.149	6	108.8371	0.057	15	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	108.9900	0.102	5	108.9900	0.010	5	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.0140	0.011	2	109.0140	0.000	2	109.0592	1.145	209	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)(I)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(OH)(H)	H(C[6]C[5,6]C[6]I)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)(I){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]I)	106.8300	0.000	1	108.2565	4.070	2	108.1030	1.054	5	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)(I)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(OH)(H)	H(C[6]C[5,6]C[6]I)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)(I){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(OH)(H){1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]I)	109.6830	0.000	1	108.2565	4.070	2	108.1030	1.054	5	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(H)(I)	C[6](C[6]C[5,6]HI)(C[6]C[5,6]HO)(OH)(H)	H(C[6]C[5,6]C[6]I)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(H)(I){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HI)(C[6]C[5,6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]I)	108.0007	0.184	3	108.0007	0.034	3	108.1030	1.054	5	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(Br)(H)	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]Br)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(Br)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]Br)	109.2070	0.000	1	109.2070	0.000	1	109.2070	0.000	1	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(Cl)(H)	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]Cl)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(Cl)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]Cl)	107.9937	0.890	3	107.9937	0.792	3	107.7010	0.871	4	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(Cl)(H)	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6,6]C[6]Cl)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(Cl)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]Cl)	106.8230	0.000	1	106.8230	0.000	1	107.7010	0.871	4	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,5,6]HO)(H)2	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,5,6]HO)(H)2{2|H<1>,6|C<4>}	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OC)(H){4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.5903	1.401	9	108.5903	1.964	9	108.6995	1.630	11	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[3,5,6]HO)(H)2	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[3,5,6]HO)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OH)(H){1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1905	0.018	2	109.1905	0.000	2	108.6995	1.630	11	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HO)(H)2	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HO)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8375	0.012	2	108.8375	0.000	2	108.8375	0.000	2	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HO)(H)2	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HO)(H)2{1|C<3>,7|C<4>}	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(OH)(H){5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	110.0700	0.000	1	110.0700	0.000	1	110.0700	0.000	1	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[5,5,6,6]HO)(H)2	C[6](C[5,5,6,6]C[5,5,4x6]C[5,5,6]C[6])(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[5,5,6,6]HO)(H)2{3|H<1>,5|C<4>}	C[6](C[5,5,6,6]C[5,5,4x6]C[5,5,6]C[6])(C[6]C[6,6]HH)(OH)(H){1|N<4>,4|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	107.8960	0.016	2	107.8960	0.000	2	107.8960	0.000	2	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6]HO)(H)2	C[6](C[5,5,6]C[5,5,6,6]C[5,6a]C[5])(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,5,6]C[5,5,6,6]C[5,6a]C[5])(C[6]C[6,6]HH)(OH)(H){2|C<4>,2|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.2690	0.581	2	108.2690	0.338	2	108.2690	0.338	2	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2{1|O<2>,2|C<3>,5|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6,6]HH)(OH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6600	0.021	2	108.6600	0.000	2	109.4857	0.118	23	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6,6]HO)(H)2	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6,6]HO)(H)2{1|O<2>,7|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]HH)(OH)(H){2|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.6568	0.055	4	109.6568	0.003	4	109.4857	0.118	23	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2	C[6](C[5,6,6]C[5,5,6]C[6,6]O[5])(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,5,6]C[6,6]O[5])(C[6]C[6,6]HH)(OH)(H){3|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.3363	0.156	7	109.3363	0.024	7	109.4857	0.118	23	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2{1|C<3>,7|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	110.0470	0.037	2	109.6869	0.045	10	109.4857	0.118	23	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2{1|C<3>,7|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H){5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.7535	0.018	2	109.6869	0.045	10	109.4857	0.118	23	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2{2|C<3>,6|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.5708	0.055	4	109.6869	0.045	10	109.4857	0.118	23	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2{8|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H){1|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4925	0.006	2	109.6869	0.045	10	109.4857	0.118	23	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	107.6415	0.008	2	107.7659	0.075	10	108.5805	0.756	365	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(H)2{3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	107.7970	0.301	8	107.7659	0.075	10	108.5805	0.756	365	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	107.8190	0.211	6	107.8190	0.044	6	108.5805	0.756	365	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HO)(H)2{8|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9435	0.006	2	108.9435	0.000	2	108.5805	0.756	365	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HO)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6,6]HH)(OH)(H){3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.5445	0.013	2	108.5445	0.000	2	108.5805	0.756	365	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.7315	0.048	4	108.7315	0.002	4	108.5805	0.756	365	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.4855	0.015	2	109.3480	0.012	6	108.5805	0.756	365	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HO)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2690	0.037	2	109.3480	0.012	6	108.5805	0.756	365	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HO)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2895	0.005	2	109.3480	0.012	6	108.5805	0.756	365	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.6595	0.042	2	108.6595	0.002	2	108.5805	0.756	365	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1155	0.022	2	108.8461	0.056	16	108.5805	0.756	365	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8076	0.227	14	108.8461	0.056	16	108.5805	0.756	365	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0455	0.015	2	108.3938	0.860	240	108.5805	0.756	365	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.5463	0.222	3	108.3938	0.860	240	108.5805	0.756	365	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0048	1.626	6	108.3938	0.860	240	108.5805	0.756	365	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.7405	0.028	2	108.3938	0.860	240	108.5805	0.756	365	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9000	0.021	2	108.3938	0.860	240	108.5805	0.756	365	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.5560	0.057	2	108.3938	0.860	240	108.5805	0.756	365	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|H<1>,2|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.7440	0.006	2	108.3938	0.860	240	108.5805	0.756	365	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	104.8520	4.120	2	108.3938	0.860	240	108.5805	0.756	365	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.3889	0.818	219	108.3938	0.860	240	108.5805	0.756	365	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H){1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0790	0.016	2	108.8844	0.175	8	108.5805	0.756	365	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H){2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.8195	0.475	6	108.8844	0.175	8	108.5805	0.756	365	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OH)(H){2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.8386	0.164	33	108.8386	0.027	33	108.5805	0.756	365	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8925	0.012	2	108.8925	0.000	2	108.5805	0.756	365	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(H)2{1|C<3>,7|C<4>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(OC)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2295	0.035	2	109.2295	0.001	2	108.5805	0.756	365	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6,6]HH)(OH)(H){2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.6872	0.178	30	109.6872	0.032	30	108.5805	0.756	365	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.1690	0.020	2	109.1690	0.000	2	108.5805	0.756	365	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O[6]H)(H)2	C[6](C[5,6]C[5,6]2O[5])(C[6]C[6,6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O[6]H)(H)2{1|O<2>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]2O[5])(C[6]C[6,6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.5230	0.041	2	108.5230	0.002	2	108.5230	0.002	2	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6,6]HO)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.4015	0.045	2	108.4015	0.002	2	108.6936	0.779	287	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HO)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]HH)(OH)(H){3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0160	0.010	2	109.0160	0.000	2	108.6936	0.779	287	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|O<2>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9795	0.009	2	108.9795	0.000	2	108.6936	0.779	287	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HO)(H)2{2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H){8|C<4>}	H(C[6]C[6,6]C[6]H)	108.7345	0.264	8	108.7345	0.070	8	108.6936	0.779	287	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HO)(H)2{2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H){8|C<4>}	H(C[6]C[6,6]C[6]H)	108.5163	0.167	6	108.5163	0.028	6	108.6936	0.779	287	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2975	0.081	2	109.2975	0.007	2	108.6936	0.779	287	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|Cl<1>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8233	0.053	4	108.8233	0.003	4	108.6936	0.779	287	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8575	0.042	2	108.8575	0.002	2	108.6936	0.779	287	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1570	0.045	2	109.0326	0.088	8	108.6936	0.779	287	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9912	0.339	6	109.0326	0.088	8	108.6936	0.779	287	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|N<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8645	0.019	2	108.8645	0.000	2	108.6936	0.779	287	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9531	0.072	7	108.9531	0.005	7	108.6936	0.779	287	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(ON)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(ON)(H){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.7825	0.109	4	108.7825	0.012	4	108.6936	0.779	287	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.4120	0.000	1	108.1260	0.061	3	108.6936	0.779	287	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H){8|C<4>}	H(C[6]C[6,6]C[6]H)	107.9830	0.016	2	108.1260	0.061	3	108.6936	0.779	287	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2{1|C<3>,7|C<4>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.4775	0.009	2	108.4775	0.000	2	108.6936	0.779	287	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2{8|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3780	0.000	1	109.3780	0.000	1	108.6936	0.779	287	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2{1|C<3>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9785	0.062	2	108.9785	0.004	2	108.6936	0.779	287	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2{8|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OC)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	110.3575	2.567	4	110.3575	6.592	4	108.6936	0.779	287	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.5540	0.035	2	109.5540	0.001	2	108.6936	0.779	287	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OC)(H){2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.5895	0.047	2	108.5895	0.002	2	108.6936	0.779	287	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.5690	0.041	2	108.5690	0.002	2	108.6936	0.779	287	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{2|C<3>,6|C<4>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.7880	0.033	2	109.7880	0.001	2	108.6936	0.779	287	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{2|C<3>,6|C<4>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.5052	0.120	5	109.4667	0.014	7	108.6936	0.779	287	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{8|C<4>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.3705	0.040	2	109.4667	0.014	7	108.6936	0.779	287	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{3|C<3>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3615	0.009	2	109.3615	0.000	2	108.6936	0.779	287	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H){2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.5320	0.016	2	108.7400	0.177	10	108.6936	0.779	287	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.5420	0.061	8	108.7400	0.177	10	108.6936	0.779	287	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.6310	0.014	2	108.5276	0.886	181	108.6936	0.779	287	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9700	5.979	2	108.5276	0.886	181	108.6936	0.779	287	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.5215	0.837	177	108.5276	0.886	181	108.6936	0.779	287	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|O<2>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	110.1840	0.453	2	110.1840	0.205	2	108.6936	0.779	287	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<2>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H){1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.2125	0.019	2	109.0980	0.487	6	108.6936	0.779	287	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H){4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5408	0.164	4	109.0980	0.487	6	108.6936	0.779	287	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OC)(H){1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.2155	0.008	2	108.2155	0.000	2	108.6936	0.779	287	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6355	0.028	2	108.5245	0.019	4	108.6936	0.779	287	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|O<2>,2|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.4135	0.074	2	108.5245	0.019	4	108.6936	0.779	287	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.3577	0.213	4	109.3577	0.045	4	108.6936	0.779	287	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5]O[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[5]C[5]2O)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5]O[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[5]C[5]2O)(O[6]C[6])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>,3|O<2>}	H(C[6]C[6,6]C[6]H)	108.5310	0.017	2	108.5310	0.000	2	108.5310	0.000	2	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NN)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NN)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.4185	0.036	2	108.4185	0.001	2	108.4185	0.001	2	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.5930	0.000	1	109.5930	0.000	1	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4613	0.071	8	109.4613	0.005	8	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)(H)2{2|O<2>,4|C<4>}	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.8615	0.015	2	109.8615	0.000	2	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[4x6]C)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[4x6]C)(C[6]C[6]HO)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(OH)(H){1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.6402	0.227	4	109.6402	0.052	4	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(OH)(H){2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7640	0.091	8	108.7640	0.008	8	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]N[6,6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]N[6,6]H)(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.3630	0.000	1	108.3630	0.000	1	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.7500	0.023	2	108.7500	0.001	2	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8803	0.016	3	108.8803	0.000	3	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OS)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OS)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.3430	0.010	2	108.3430	0.000	2	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[4]C[6]C)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HO)(H)2{1|C<3>,7|C<4>}	C[6](C[6]C[4]C[6]C)(C[6]C[6,6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.4765	0.015	2	109.4765	0.000	2	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]O[6]2)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]O[6]2)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.4400	0.000	1	109.4400	0.000	1	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){5|C<4>}	H(C[6]C[6,6]C[6]H)	108.5667	0.099	4	108.5667	0.010	4	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){5|C<4>}	H(C[6]C[6,6]C[6]H)	109.4495	0.135	4	109.3654	0.049	5	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0290	0.000	1	109.3654	0.049	5	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2373	0.270	10	108.9391	0.098	32	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7395	0.234	4	108.9391	0.098	32	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6105	0.015	2	108.9391	0.098	32	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){5|C<4>}	H(C[6]C[6,6]C[6]H)	108.7708	0.222	12	108.9391	0.098	32	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0620	0.085	4	108.9391	0.098	32	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2{3|C<3>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1185	0.409	4	109.1185	0.168	4	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OSi)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9460	0.009	4	108.9460	0.000	4	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.5958	0.175	23	109.5958	0.031	23	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8620	0.107	2	108.8620	0.012	2	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OC)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.0075	0.005	2	109.0075	0.000	2	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	107.9760	0.020	2	107.9662	3.101	6	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){5|C<4>}	H(C[6]C[6,6]C[6]H)	107.9613	2.273	4	107.9662	3.101	6	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9810	0.016	2	109.0025	0.001	4	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0240	0.006	2	109.0025	0.001	4	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9543	0.044	4	108.9543	0.002	4	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6]HO)(H)2{1|Cl<1>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|Cl<1>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2430	0.000	1	109.1020	0.008	5	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|Cl<1>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0667	0.051	4	109.1020	0.008	5	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.5435	0.525	2	108.5435	0.276	2	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|H<1>,7|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.7030	0.000	1	109.7030	0.000	1	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HH)(OSi)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HH)(OSi)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	108.7870	0.016	2	108.7870	0.000	2	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]2C)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{2|H<1>,6|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]2C)(OH)(H){2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4205	0.028	2	109.4205	0.001	2	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2935	0.018	2	109.2935	0.000	2	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.4038	0.047	4	109.4038	0.002	4	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.7330	0.010	2	109.3355	0.690	118	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.9425	0.013	2	109.3355	0.690	118	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3748	0.267	12	109.3355	0.690	118	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|N<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.6157	0.091	3	109.3355	0.690	118	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|N<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	110.0635	0.021	2	109.3355	0.690	118	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1390	0.000	1	109.3355	0.690	118	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	110.3748	4.114	4	109.3355	0.690	118	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.3648	1.620	4	109.3355	0.690	118	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{3|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4615	0.008	2	109.3355	0.690	118	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2761	0.352	86	109.3355	0.690	118	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC[6])(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9407	0.186	11	108.9407	0.035	11	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0354	0.138	5	108.8321	1.047	278	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0597	0.159	4	108.8321	1.047	278	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3085	0.047	2	108.8321	1.047	278	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0116	0.507	8	108.8321	1.047	278	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8750	0.000	1	108.8321	1.047	278	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8610	0.052	2	108.8321	1.047	278	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8149	1.061	256	108.8321	1.047	278	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OS)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OS)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.6330	0.006	2	109.6330	0.000	2	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2065	0.169	6	109.2065	0.029	6	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.6570	0.014	4	109.0805	1.182	6	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	107.9275	1.387	2	109.0805	1.182	6	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC[6a])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC[6a])(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4800	0.007	2	109.4800	0.000	2	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3780	0.313	4	109.4007	0.060	6	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4460	0.030	2	109.4007	0.060	6	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(ON[5])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(ON[5])(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8325	0.439	2	108.8325	0.193	2	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	110.0410	0.069	2	110.0410	0.005	2	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<2>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H){1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.8685	0.047	2	109.8685	0.002	2	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.6100	0.035	2	109.6100	0.001	2	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.3315	0.049	2	109.0360	0.264	23	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|Cl<1>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0238	0.588	5	109.0360	0.264	23	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|N<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.4310	0.038	2	109.0360	0.264	23	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|N<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.4045	0.022	2	109.0360	0.264	23	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3659	0.151	8	109.0360	0.264	23	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.3623	0.039	4	109.0360	0.264	23	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2060	0.011	2	108.9000	0.110	17	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8015	0.015	2	108.9000	0.110	17	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]H)	108.6130	0.007	2	108.9000	0.110	17	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1890	0.178	3	108.9000	0.110	17	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8115	0.381	8	108.9000	0.110	17	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.3200	0.000	1	108.5223	0.353	17	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.5349	0.611	16	108.5223	0.353	17	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0408	0.154	4	109.0322	0.011	18	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0297	0.093	14	109.0322	0.011	18	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(OC)(H){1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.1232	0.029	4	109.1232	0.001	4	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(H)2{3|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3430	0.006	2	109.3430	0.000	2	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	110.3925	0.011	2	110.3925	0.000	2	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.8700	0.010	2	109.7870	0.021	3	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.6210	0.000	1	109.7870	0.021	3	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	110.0985	0.059	2	109.9518	0.030	4	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.8050	0.037	2	109.9518	0.030	4	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]O[6]C)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2{1|O<2>,5|C<4>}	C[6](C[6]C[6]O[6]C)(C[6]C[6,6]HH)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	110.2927	0.193	4	110.2927	0.037	4	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	110.9295	1.675	2	110.9295	2.806	2	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9020	0.000	1	108.9020	0.000	1	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,6|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.7707	0.312	10	108.7707	0.098	10	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HO)(H)2{1|Cl<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.2590	0.010	2	109.2590	0.000	2	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.1170	0.004	2	109.1170	0.000	2	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]N[5,6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(OS)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[5,6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(OS)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8180	0.006	2	108.8180	0.000	2	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.7030	0.000	2	108.5070	5.550	4	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.3110	4.062	2	108.5070	5.550	4	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1620	0.053	3	109.0663	0.050	7	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.7465	0.016	2	109.0663	0.050	7	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2425	0.008	2	109.0663	0.050	7	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(OH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(H)2{2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.6444	0.095	7	108.6444	0.009	7	109.0306	0.729	710	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HS)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HS)(H)2{2|C<4>,3|C<3>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	107.9810	0.011	2	107.9810	0.000	2	109.0880	0.458	18	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HS)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HS)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.3350	0.020	2	109.3350	0.000	2	109.0880	0.458	18	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HS)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(SC[6a])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HS)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(SC[6a])(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.4443	0.196	12	109.4443	0.038	12	109.0880	0.458	18	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HS)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HS)(H)2{1|C<3>,1|N<3>,2|C<4>,7|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	107.8100	0.049	2	107.8100	0.002	2	109.0880	0.458	18	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6,6]C[6]3)(H)2	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]C)(C[6]C[6,6]HH)(OC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[5,6,6]HO)(C[6,6]C[6]3)(H)2{1|C<3>,1|O<2>,2|H<1>,6|C<4>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]C)(C[6]C[6,6]HH)(OC)(H){1|O<2>,3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.7630	0.006	2	108.7630	0.000	2	108.7630	0.000	2	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(Br)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]BrH)(OH)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(Br)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]BrH)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2Br)	107.3855	1.805	2	107.3855	3.259	2	107.3855	3.259	2	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[5,6]HO)(Br)(H)	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]BrH)(OH)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6,6a]HO)(C[6]C[5,6]HO)(Br)(H){1|C<4>,1|O<2>,2|C<3>}	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]BrH)(OH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2Br)	110.8140	0.000	1	110.8140	0.000	1	110.8140	0.000	1	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NC)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6]HN)2(Br)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NC)(H){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2Br)	106.6440	0.000	1	106.6440	0.000	1	106.6440	0.000	1	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(Br)(H)	C[6](C[6]C[3,6]HN)(C[6]C[6]BrH)(OH)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(Br)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[3,6]HN)(C[6]C[6]BrH)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2Br)	111.0275	2.282	2	111.0275	5.207	2	108.8397	3.149	15	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(Br)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>}	H(C[6]C[6]2Br)	107.1082	0.810	4	107.1082	0.656	4	108.8397	3.149	15	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(Br)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2Br)	109.0510	0.000	1	109.0510	0.000	1	108.8397	3.149	15	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OC[5])(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(Br)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OC[5])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2Br)	108.7240	0.059	2	108.7240	0.004	2	108.8397	3.149	15	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(Br)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2Br)	108.6220	0.055	3	108.6220	0.003	3	108.8397	3.149	15	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Br)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]BrH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2Br)	109.3060	0.000	1	109.3060	0.000	1	108.8397	3.149	15	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6]HO)2(Br)(H){1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HN)(OH)(H){1|C<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2Br)	107.8620	0.000	1	110.2185	11.106	2	108.8397	3.149	15	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6]HO)2(Br)(H){1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HN)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2Br)	112.5750	0.000	1	110.2185	11.106	2	108.8397	3.149	15	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]BrH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]2H)(O[6]C[6])(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6]O[6]H)(C[6]C[6]BrH)(Br)(H){3|C<4>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]2H)(O[6]C[6])(H){1|Br<1>,4|C<4>,6|H<1>}	H(C[6]C[6]2Br)	109.7210	0.000	1	109.7210	0.000	1	109.7210	0.000	1	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)2(Cl)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]ClH)(OH)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[5,6]HO)2(Cl)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]ClH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2Cl)	107.7290	0.033	2	107.7290	0.001	2	107.7290	0.001	2	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6,6]HO)(Cl)(H)	C[6](C[6,6]C[6,6a]O[6]2)(C[6]C[6]ClH)(OH)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6,6a]HO)(C[6]C[6,6]HO)(Cl)(H){2|C<3>,2|O<2>}	C[6](C[6,6]C[6,6a]O[6]2)(C[6]C[6]ClH)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6]2Cl)	108.0340	0.000	1	108.0340	0.000	1	108.0340	0.000	1	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(Cl)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]ClH)(OH)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]ClH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2Cl)	108.9250	0.000	1	108.9250	0.000	1	108.6657	0.309	24	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]ClH)(C[6]C[6]HO)(Cl)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(OC)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6,6a]ClH)(C[6]C[6]HO)(Cl)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(OC)(H){1|Cl<1>,1|H<1>,2|C<3>}	H(C[6]C[6]2Cl)	109.5400	0.000	1	109.5400	0.000	1	108.6657	0.309	24	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(Cl)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2Cl)	108.3770	0.000	1	108.2583	0.037	3	108.6657	0.309	24	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(Cl)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2Cl)	108.1990	0.231	2	108.2583	0.037	3	108.6657	0.309	24	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(Cl)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H){1|Cl<1>,1|C<3>,2|H<1>}	H(C[6]C[6]2Cl)	108.0380	0.000	1	108.0380	0.000	1	108.6657	0.309	24	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(Cl)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2Cl)	107.1780	0.000	1	107.1780	0.000	1	108.6657	0.309	24	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Cl)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(OC)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Cl)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2Cl)	108.3610	0.000	1	108.3610	0.000	1	108.6657	0.309	24	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Cl)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2Cl)	108.4810	0.132	3	108.4810	0.018	3	108.6657	0.309	24	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Cl)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2Cl)	108.8273	0.743	3	108.8273	0.551	3	108.6657	0.309	24	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(Cl)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2Cl)	108.9985	0.337	8	108.9985	0.114	8	108.6657	0.309	24	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6]HO)2(Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2Cl)	108.6030	0.000	1	108.6030	0.000	1	108.6657	0.309	24	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]SeH)(C[6]C[6]HO)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6]SeH)(C[6]C[6]HO)(Cl)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H){1|Se<2>,1|C<4>,3|H<1>}	H(C[6]C[6]2Cl)	108.6430	0.000	1	108.6430	0.000	1	108.6657	0.309	24	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:Se-2:H-1:	C[6]-4:	C[6](C[6]C[6]SeH)(C[6]C[6]HO)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(SeC[6a])(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6]SeH)(C[6]C[6]HO)(Cl)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(SeC[6a])(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2Cl)	108.6470	0.000	1	108.6470	0.000	1	108.6470	0.000	1	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]FH)(C[6]C[5,6]HO)(F)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]FH)(OH)(H)	H(C[6]C[6]2F)	C[6](C[6]C[5,6]FH)(C[6]C[5,6]HO)(F)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]FH)(OH)(H){1|F<1>,1|H<1>,2|C<4>}	H(C[6]C[6]2F)	109.3105	0.043	2	109.3105	0.002	2	109.3105	0.002	2	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6]2F)	107.9880	0.832	2	107.9880	0.691	2	109.2721	0.367	40	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H)	C[6](C[6]C[6]FH)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]FH)(C[6]O[6]HO)(OH)(H){1|C<4>,1|F<1>,1|H<1>}	H(C[6]C[6]2F)	108.8920	0.000	1	108.8920	0.000	1	109.2721	0.367	40	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H)	C[6](C[6]C[6]FH)2(OH)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]FH)2(OH)(H){1|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]2F)	109.1645	0.343	8	109.1506	0.116	10	109.2721	0.367	40	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H)	C[6](C[6]C[6]FH)2(OH)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H){1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]FH)2(OH)(H){1|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]2F)	109.0950	0.467	2	109.1506	0.116	10	109.2721	0.367	40	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H)	C[6](C[6]C[6]FH)2(OS)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H){1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]FH)2(OS)(H){1|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]2F)	109.2265	0.305	2	109.2265	0.093	2	109.2721	0.367	40	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OS)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2F)	109.7660	0.000	1	109.7660	0.000	1	109.2721	0.367	40	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2F)	109.1759	0.800	9	109.1759	0.639	9	109.2721	0.367	40	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H)	C[6](C[6]C[6]FH)(C[6]N[6]HH)(OH)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]N[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2F)	109.3095	0.028	2	109.3095	0.001	2	109.2721	0.367	40	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(OS)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(OS)(H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	H(C[6]C[6]2F)	109.5530	0.000	1	109.5530	0.000	1	109.2721	0.367	40	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(F)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OH)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2F)	109.2730	0.061	2	109.2730	0.004	2	109.2721	0.367	40	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(F)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2F)	110.3130	0.000	1	110.3130	0.000	1	109.2721	0.367	40	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(F)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2F)	110.2205	0.144	2	110.2205	0.021	2	109.2721	0.367	40	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]HO)2(F)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2F)	109.2917	0.028	3	109.2917	0.001	3	109.2721	0.367	40	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(F)(H)	C[6](C[6]C[6]FH)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]HO)2(F)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]FH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2F)	109.5370	0.000	1	109.5370	0.000	1	109.2721	0.367	40	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(F)(H)	C[6](C[6]C[6]FH)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]HO)2(F)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]FH)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2F)	109.5070	0.000	1	109.5070	0.000	1	109.2721	0.367	40	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OS)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(F)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OS)(H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	H(C[6]C[6]2F)	109.5800	0.000	1	109.5800	0.000	1	109.2721	0.367	40	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HO)(F)(H)	C[6](C[6]C[6]CH)(C[6]C[6]FH)(OH)(H)	H(C[6]C[6]2F)	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HO)(F)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]FH)(OH)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2F)	109.7380	0.000	1	109.7380	0.000	1	109.2721	0.367	40	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	B[5,5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]B[5,5]O[6]H)(C[6]C[6]HH)(H)2	C[6](B[5,5]N[5,5]O[5]2)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]B[5,5]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|H<1>,2|O<2>}	C[6](B[5,5]N[5,5]O[5]2)(C[6]C[6]HH)(O[6]C[6])(H){2|C<3>,3|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.6505	0.019	2	109.6505	0.000	2	109.6505	0.000	2	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[3x6]HH)(H)2	C[6](C[3,6]C[3x6]C[3]O[3])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HO)(C[6]C[3x6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[3,6]C[3x6]C[3]O[3])(C[6]C[6]HH)(OC)(H){3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6415	0.029	2	109.6415	0.001	2	109.5726	8.488	28	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[5,6]HH)(H)2	C[6](C[3,6]C[5,6]C[3]O[3])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HO)(C[6]C[5,6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[3,6]C[5,6]C[3]O[3])(C[6]C[6]HH)(OC)(H){2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.1245	0.035	2	109.1245	0.001	2	109.5726	8.488	28	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(H)2	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HH)(OH)(H){3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8880	0.000	1	109.0160	0.015	4	109.5726	8.488	28	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(H)2	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HH)(OH)(H){2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.0587	0.104	3	109.0160	0.015	4	109.5726	8.488	28	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(H)2	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(H)2{1|O<2>,4|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(OC)(H){1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.6455	0.005	2	109.6455	0.000	2	109.5726	8.488	28	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(H)2	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(H)2{2|O<2>,3|C<4>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.7075	0.022	2	108.7075	0.000	2	109.5726	8.488	28	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2{1|C<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4825	0.052	2	109.4825	0.003	2	109.5726	8.488	28	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(OH)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.5380	5.205	4	110.5380	27.089	4	109.5726	8.488	28	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H){2|C<4>,4|H<1>}	H(C[6]C[6]2H)	113.9380	8.741	2	111.4905	33.457	4	109.5726	8.488	28	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.0430	0.016	2	111.4905	33.457	4	109.5726	8.488	28	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(H)2	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.5965	0.043	2	109.5965	0.002	2	109.5726	8.488	28	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[3,6]HO)(H)2	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[3,6]HO)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(OC)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2075	0.018	2	109.2075	0.000	2	109.5726	8.488	28	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[3,6]HO)(H)2	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[3,6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	106.5225	2.645	2	106.5225	6.998	2	109.5726	8.488	28	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[3]O[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[3]C[3]O[3]H)(C[6]C[6]HH)(O[6]C[6,6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[3]O[6]H)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	C[6](C[3]C[3]O[3]H)(C[6]C[6]HH)(O[6]C[6,6])(H){3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.3025	0.011	2	109.3025	0.000	2	109.3870	0.010	4	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[3]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[3]C[3]O[3]C)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[3]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6](C[3]C[3]O[3]C)(C[6]C[6]HH)(O[6]C[6])(H){2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4715	0.023	2	109.4715	0.001	2	109.3870	0.010	4	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:N[6]-2:H-1:	C[6]-4:	C[6](C[6]C[3x6]N[6]H)(C[6]O[6]CH)(H)2	C[6](C[3x6]C[6,6]3)(C[6]C[6]HH)(N[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]N[6]H)(C[6]O[6]CH)(H)2{1|C<3>,3|C<4>}	C[6](C[3x6]C[6,6]3)(C[6]C[6]HH)(N[6]C[6])(H){2|O<2>,4|C<4>,7|H<1>}	H(C[6]C[6]2H)	110.1180	0.007	2	110.1180	0.000	2	110.1180	0.000	2	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3x6]HO)(C[6]C[6,6]CH)(H)2	C[6](C[3x6]C[3,6]C[3x6]C[6])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HO)(C[6]C[6,6]CH)(H)2{1|C<3>,4|C<4>}	C[6](C[3x6]C[3,6]C[3x6]C[6])(C[6]C[6]HH)(OH)(H){2|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.2805	0.043	2	109.2805	0.002	2	109.1887	0.026	3	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3x6]HO)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.0050	0.000	1	109.0050	0.000	1	109.1887	0.026	3	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[4,6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[4,6,6]C[4,6]2C[6])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[4,6,6]C[4,6]2C[6])(C[6]C[6]HH)(OH)(H){1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.0410	1.321	2	108.0410	1.745	2	108.0410	1.745	2	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[4,6]HO)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4,5]C[4,6]O)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4,5]C[4,6]O)(C[6]C[6]HH)(OH)(H){3|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.6835	0.005	2	110.6835	0.000	2	108.8977	3.816	16	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[4,6]HO)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4,5]C[4,6]O)(C[6]C[6]HH)(OS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4,5]C[4,6]O)(C[6]C[6]HH)(OS)(H){3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7945	3.491	2	109.7945	12.187	2	108.8977	3.816	16	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[4,6]HO)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(OH)(H){3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8233	1.207	4	108.8233	1.458	4	108.8977	3.816	16	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[4,6]HO)(C[6]O[6]HH)(H)2	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HO)(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>}	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(OH)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	106.3295	0.416	2	106.3295	0.173	2	108.8977	3.816	16	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[4,6]HO)(C[6]O[6]HH)(H)2	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HO)(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>}	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9092	1.965	6	108.9092	3.861	6	108.8977	3.816	16	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[6]C[4x6]CH)(C[6]C[6]HH)(H)2	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(CN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4x6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(CN)(H){2|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3540	0.000	1	109.3540	0.000	1	109.3540	0.000	1	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[4x6]HO)(C[6]C[6]HH)(H)2	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.4350	0.010	2	109.3025	0.017	6	109.2329	0.050	28	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[4x6]HO)(C[6]C[6]HH)(H)2	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OC)(H){1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.2362	0.105	4	109.3025	0.017	6	109.2329	0.050	28	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[4x6]HO)(C[6]C[6]HH)(H)2	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OH)(H){1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.2114	0.253	20	109.2140	0.058	22	109.2329	0.050	28	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[4x6]HO)(C[6]C[6]HH)(H)2	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OH)(H){2|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2395	0.073	2	109.2140	0.058	22	109.2329	0.050	28	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.9195	0.022	2	109.0536	0.026	19	109.2502	0.116	44	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.0400	0.165	3	109.0536	0.026	19	109.2502	0.116	44	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2{5|C<4>}	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.0138	0.071	12	109.0536	0.026	19	109.2502	0.116	44	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2{5|C<4>}	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4465	0.005	2	109.0536	0.026	19	109.2502	0.116	44	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2{5|C<4>}	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OH)(H){1|N<3>,5|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3683	0.024	6	109.3683	0.001	6	109.2502	0.116	44	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2	C[6](C[5,3x6]C[5,6,6]2C[6,6])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2{5|C<4>}	C[6](C[5,3x6]C[5,6,6]2C[6,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.1530	0.006	2	109.1530	0.000	2	109.2502	0.116	44	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HO)(H)2	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HO)(H)2{5|C<4>}	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.2459	0.281	7	109.2559	0.101	13	109.2502	0.116	44	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HO)(H)2	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HO)(H)2{5|C<4>}	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,2|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.4292	0.374	4	109.2559	0.101	13	109.2502	0.116	44	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HO)(H)2	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HO)(H)2{5|C<4>}	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<4>,1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.9445	0.047	2	109.2559	0.101	13	109.2502	0.116	44	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HO)(C[6]N[6]HH)(H)2	C[6](C[5,3x6]C[5,3x6]C[5,6]C[6,6])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HO)(C[6]N[6]HH)(H)2{4|C<4>}	C[6](C[5,3x6]C[5,3x6]C[5,6]C[6,6])(C[6]C[6]HH)(OH)(H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.0365	0.054	4	110.0365	0.003	4	109.2502	0.116	44	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,5,3x6]HO)(C[6]C[6,6]HH)(H)2	C[6](C[5,5,3x6]C[4,5,6]C[5,3x6]C[5,5,6])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,3x6]HO)(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[5,5,3x6]C[4,5,6]C[5,3x6]C[5,5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5167	0.097	6	109.5167	0.009	6	109.3639	0.028	19	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,5,3x6]HO)(C[6]C[6,6]HH)(H)2	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,3x6]HO)(C[6]C[6,6]HH)(H)2{5|C<4>}	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2378	0.139	6	109.2378	0.019	6	109.3639	0.028	19	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,5,3x6]HO)(C[6]C[6,6]HH)(H)2	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,3x6]HO)(C[6]C[6,6]HH)(H)2{5|C<4>}	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OH)(H){1|N<3>,5|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3960	0.055	2	109.3960	0.003	2	109.3639	0.028	19	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,5,3x6]HO)(C[6]C[6,6]HH)(H)2	C[6](C[5,5,3x6]C[5,3x6]C[5,5,6]2)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,3x6]HO)(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[5,5,3x6]C[5,3x6]C[5,5,6]2)(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2070	0.077	3	109.2070	0.006	3	109.3639	0.028	19	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,5,3x6]HO)(C[6]C[6,6]HH)(H)2	C[6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,3x6]HO)(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,4|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4870	0.034	2	109.4870	0.001	2	109.3639	0.028	19	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,5,6,6]C[5,5,6]C[5,6]O[5,6])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,5,6,6]C[5,5,6]C[5,6]O[5,6])(C[6]C[6]HH)(OH)(H){2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2375	0.006	2	109.2375	0.000	2	109.5361	1.327	8	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(OH)(H){1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.1685	0.014	4	109.1685	0.000	4	109.5361	1.327	8	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]HH)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.5700	2.536	2	110.5700	6.430	2	109.5361	1.327	8	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HO)(C[6]C[6]CH)(H)2	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HO)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2807	0.214	3	109.2807	0.046	3	109.4484	0.047	7	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HO)(C[6]C[6]CH)(H)2	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HO)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(OSi)(H){1|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5743	0.116	4	109.5743	0.013	4	109.4484	0.047	7	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6,6]HO)(H)2	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6,6]HO)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(OC)(H){1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6003	0.163	3	109.6003	0.027	3	109.1193	1.168	43	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]CH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]CH)(H)2{2|C<3>,3|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6940	0.041	2	108.6940	0.002	2	109.1193	1.168	43	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.8840	0.000	1	108.8840	0.000	1	109.1193	1.168	43	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HO)(H)2	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4755	0.006	2	109.4755	0.000	2	109.1193	1.168	43	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]SiH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]SiH)(H)2{5|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(OH)(H){1|Si<4>,1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.2610	0.035	4	108.2610	0.001	4	109.1193	1.168	43	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6,6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6,6]HH)(H)2{5|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.6050	0.000	1	109.6050	0.000	1	109.1193	1.168	43	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6,6]HH)(H)2	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(OC)(H){1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3585	0.026	2	109.3585	0.001	2	109.1193	1.168	43	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(OC)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	108.4750	0.000	1	108.4750	0.000	1	109.1193	1.168	43	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.1365	0.103	2	109.1365	0.011	2	109.1193	1.168	43	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,1|S<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7850	0.000	1	108.7850	0.000	1	109.1193	1.168	43	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[6]C[6]HH)(OH)(H){2|H<1>,6|C<4>}	H(C[6]C[6]2H)	108.9778	0.075	4	108.9778	0.006	4	109.1193	1.168	43	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0570	0.049	4	109.0570	0.002	4	109.1193	1.168	43	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(OSi)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3500	0.018	2	109.3500	0.000	2	109.1193	1.168	43	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.0770	0.024	2	109.0770	0.001	2	109.1193	1.168	43	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2945	0.009	2	109.2945	0.000	2	109.1193	1.168	43	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|O<2>}	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6]HH)(OH)(H){3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.2608	0.107	4	109.2608	0.011	4	109.1193	1.168	43	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HO)(H)2	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(OC)(H){1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4758	3.776	4	109.4758	14.260	4	109.1193	1.168	43	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HO)(H)2	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3405	0.039	2	109.3405	0.002	2	109.1193	1.168	43	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4890	0.008	2	109.6850	0.080	6	108.9315	2.656	22	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN)(H){1|N<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.7830	0.309	4	109.6850	0.080	6	108.9315	2.656	22	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(CN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(CN)(H){2|H<1>,2|S<2>,3|C<4>}	H(C[6]C[6]2H)	105.1195	0.682	2	105.1195	0.466	2	108.9315	2.656	22	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4685	0.033	2	109.4685	0.001	2	108.9315	2.656	22	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CN)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4185	0.035	2	109.4185	0.001	2	108.9315	2.656	22	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(CN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(CN)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	110.0340	0.016	2	110.0340	0.000	2	108.9315	2.656	22	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CN)(H){4|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.7455	0.013	2	109.7455	0.000	2	108.9315	2.656	22	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)2(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CC)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.4687	1.808	6	108.4687	3.270	6	108.9315	2.656	22	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(NC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(NC)(H){3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4395	0.021	2	109.4395	0.000	2	109.4395	0.000	2	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[3,5,6]N[5,6]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[3,5,6]N[5,6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.0137	0.997	3	108.0137	0.994	3	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1040	0.013	2	109.1040	0.000	2	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]CH)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]CH)(C[6]C[5,6]HO)(H)2{1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.5025	0.005	2	109.5025	0.000	2	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8950	0.030	2	108.8950	0.001	2	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.2625	0.351	6	108.2625	0.123	6	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HO)(H)2{1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H){2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	108.5540	0.000	1	108.5540	0.000	1	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(OC)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0590	0.028	2	109.0590	0.001	2	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.4690	0.000	1	109.4690	0.000	1	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HO)(H)2{1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.3020	0.000	1	108.3020	0.000	1	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1710	0.057	2	109.1710	0.003	2	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HO)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	104.6550	6.111	2	104.6550	37.342	2	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]CN)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CN)(C[6]C[5,6]HO)(H)2{2|Se<2>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H){1|Se<2>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5215	0.040	2	108.5472	0.002	4	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]CN)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CN)(C[6]C[5,6]HO)(H)2{2|Se<2>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H){1|Se<2>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5730	0.021	2	108.5472	0.002	4	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(OC)(H){1|O<1>,4|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.9625	0.059	2	109.9625	0.003	2	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H){1|Br<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8630	0.008	2	108.8363	0.001	4	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|I<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8095	0.006	2	108.8363	0.001	4	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1760	0.013	2	109.1760	0.000	2	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2{1|C<4>,2|H<1>,2|S<2>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	108.9585	0.025	2	108.9585	0.001	2	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2{2|Se<2>,3|C<4>}	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(OH)(H){1|Se<2>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.9310	0.017	2	108.9310	0.000	2	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2{2|Se<2>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H){1|Se<2>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.9415	0.078	2	109.0780	0.027	4	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2{2|Se<2>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H){1|Se<2>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.2145	0.012	2	109.0780	0.027	4	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	108.6145	0.047	2	108.6640	0.013	5	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.6970	0.146	3	108.6640	0.013	5	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3700	0.013	2	109.3700	0.000	2	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.7978	0.105	4	109.7978	0.011	4	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HO)(H)2	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HO)(H)2{5|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OC)(H){2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	108.0662	0.063	6	108.0662	0.004	6	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HO)(H)2	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HO)(H)2{5|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H){2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	107.7425	0.123	4	107.7425	0.015	4	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|C<2>,1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	106.2850	2.396	2	108.1787	30.205	4	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	110.0725	8.398	2	108.1787	30.205	4	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1770	0.016	2	109.1770	0.000	2	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OSi)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.8955	0.025	2	108.8955	0.001	2	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3480	0.033	2	109.3480	0.001	2	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7840	0.027	2	109.7840	0.001	2	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(OC)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.5190	0.150	2	109.5190	0.022	2	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	107.6250	0.495	2	107.6250	0.245	2	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]CO)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	108.9227	0.626	7	108.9227	0.392	7	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(OSi)(H){1|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.1820	0.247	4	109.1820	0.061	4	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0561	0.095	8	109.0561	0.009	8	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6795	0.030	2	108.6795	0.001	2	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.1610	0.264	6	109.1610	0.069	6	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]2Ru)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|Ru<6>,1|Ru<7>,1|C<4>,1|C<5>,1|H<1>}	C[6](C[5,6]C[5,6]2Ru)(C[6]C[6]HH)(OC)(H){1|Ru<6>,1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2048	0.027	4	109.2048	0.001	4	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|C<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3065	0.028	2	109.3065	0.001	2	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(OH)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.3455	0.274	4	109.3455	0.075	4	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|Fe<8>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4528	0.293	14	109.4528	0.086	14	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|Fe<8>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1403	0.319	3	109.1403	0.102	3	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5590	0.004	2	109.5590	0.000	2	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OS)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	106.1500	0.089	2	106.1500	0.008	2	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(OC)(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4850	0.000	1	109.4850	0.000	1	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.1476	1.486	8	108.1476	2.208	8	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5569	0.294	7	109.5569	0.086	7	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.9190	1.219	2	109.9190	1.486	2	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(ON[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(ON[6])(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4940	0.020	2	109.4940	0.000	2	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OOs)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OOs)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5805	0.056	2	108.5805	0.003	2	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4540	0.013	2	109.4540	0.000	2	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(OSi)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.6245	0.026	2	109.6245	0.001	2	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.6623	0.067	3	109.6623	0.005	3	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.0670	0.000	1	109.0670	0.000	1	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3790	0.000	1	109.3790	0.000	1	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	108.9305	0.926	2	109.2080	0.139	12	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4185	0.320	4	109.2080	0.139	12	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(C[6]C[6]2H)	109.1602	0.057	6	109.2080	0.139	12	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OS)(H){1|C<4>,2|C<3>,8|H<1>}	H(C[6]C[6]2H)	109.5820	0.044	2	109.5820	0.002	2	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(OC)(H){1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2315	0.101	2	109.2315	0.010	2	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.7485	0.213	2	108.7485	0.045	2	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(OH)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2855	0.018	2	109.2855	0.000	2	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>}	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(OSi)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1655	0.228	2	109.1655	0.052	2	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6825	0.009	2	109.6825	0.000	2	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6420	0.016	2	109.6156	0.002	8	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5455	0.008	2	109.6156	0.002	8	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6375	0.023	4	109.6156	0.002	8	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OS)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.9650	0.031	2	109.9650	0.001	2	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(OH)(H){2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	108.3790	0.025	2	108.3790	0.001	2	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]N[5,6]HH)(H)2	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]N[5,6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.6700	0.000	1	109.6700	0.000	1	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]N[6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.2235	0.091	2	109.2235	0.008	2	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)2(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)2(H)2{1|C<4>,2|H<1>,2|N<2>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OS)(H){1|C<4>,1|N<2>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.5430	0.037	3	108.5430	0.001	3	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)2(H)2	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)2(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.0615	0.537	2	108.0615	0.288	2	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)2(H)2	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)2(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	110.1080	1.509	2	110.1080	2.277	2	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]N[5a]H)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]N[5a]H)(C[6]C[5,6]HO)(H)2{1|C<4>,2|H<1>,2|N<2>,2|O<2>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	109.1112	0.072	6	109.1112	0.005	6	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CO)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CO)(C[6]C[5,6]HO)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.0260	0.000	1	109.0260	0.000	1	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6,6a]C[5,6a]O)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HO)(H)2{1|O<2>,3|C<3>}	C[6](C[5,6]C[5,6,6a]C[5,6a]O)(C[6]C[6]HH)(OC)(H){2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.7692	0.170	4	108.7692	0.029	4	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]HH)(OS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HO)(H)2{2|C<3>,2|C<4>}	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]HH)(OS)(H){4|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.5415	0.013	2	109.5415	0.000	2	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HO)(H)2{1|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	H(C[6]C[6]2H)	109.2195	0.013	2	109.2195	0.000	2	108.9854	1.210	231	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HS)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HH)(SC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HS)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HH)(SC)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3180	0.000	1	109.3180	0.000	1	109.3180	0.000	1	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5]2H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6330	0.008	2	109.6330	0.000	2	109.6131	0.012	14	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|O<2>,3|C<4>}	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5725	0.021	2	109.6203	0.019	6	109.6131	0.012	14	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,5|C<4>}	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H){4|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.7905	0.016	2	109.6203	0.019	6	109.6131	0.012	14	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(H)2{2|O<2>,4|C<4>}	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H){4|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4980	0.014	2	109.6203	0.019	6	109.6131	0.012	14	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[5]O[6]H)(C[6]C[6]SS)(H)2	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]O[6]H)(C[6]C[6]SS)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,2|S<4>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4630	0.014	2	109.4630	0.000	2	109.6131	0.012	14	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[5]O[6]H)(C[6]O[6]HH)(H)2	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]O[6]H)(C[6]O[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.6672	0.041	4	109.6672	0.002	4	109.6131	0.012	14	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[5]O[6]O)(C[6]C[6]HH)(H)2	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(O[6]C[6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[5]O[6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(O[6]C[6])(O){4|H<1>,5|C<4>}	H(C[6]C[6]2H)	104.4845	4.200	2	104.4845	17.636	2	104.4845	17.636	2	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5x6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5x6]HO)(C[6]C[6,6]HH)(H)2	C[6](C[5x6]C[5,6,6]C[3x6]C[4x6])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5x6]HO)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[5x6]C[5,6,6]C[3x6]C[4x6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,4|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.0670	0.513	2	109.0670	0.264	2	109.0670	0.264	2	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.0535	0.019	2	109.0535	0.000	2	109.6035	0.487	4	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(CN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(CN)(H){2|H<1>,2|S<2>,3|C<4>}	H(C[6]C[6]2H)	110.1535	0.501	2	110.1535	0.251	2	109.6035	0.487	4	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6,6]HO)(H)2{1|O<2>,4|C<4>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.2960	0.033	2	110.2960	0.001	2	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(OH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5450	0.034	2	109.5450	0.001	2	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.2045	0.215	4	109.2045	0.046	4	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.0545	0.055	6	109.0545	0.003	6	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[4,6,6]HH)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[4,3x6]C[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[4,3x6]C[6]H)(C[6]C[6]HH)(OC)(H){1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0565	0.005	2	109.0565	0.000	2	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HO)(H)2{5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2171	0.218	10	109.2489	0.097	14	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HO)(H)2{5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.7750	0.011	2	109.2489	0.097	14	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HO)(H)2{5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|N<4>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8820	0.040	2	109.2489	0.097	14	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HO)(H)2{1|C<2>,1|C<3>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9295	0.018	2	108.9295	0.000	2	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.9730	0.000	1	108.9730	0.000	1	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1165	0.100	4	109.1165	0.010	4	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OSi)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9075	0.039	2	108.9075	0.002	2	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.5405	0.006	2	108.5405	0.000	2	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.0423	0.417	3	109.0423	0.174	3	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HO)(H)2{5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	107.9359	0.142	10	107.9359	0.020	10	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HO)(H)2{1|C<4>,3|C<3>}	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(OC)(H){2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.1160	0.000	1	108.1160	0.000	1	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HO)(H)2{1|C<4>,3|C<3>}	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(OH)(H){2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.1215	0.059	2	108.1215	0.003	2	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2{1|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4180	0.000	1	109.4180	0.000	1	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[3x6]O[6]O)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2{2|O<2>,3|C<4>}	C[6](C[6,6]C[3x6]O[6]O)(C[6]C[6]HH)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.6720	0.018	2	109.6720	0.000	2	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8560	0.062	2	108.8560	0.004	2	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7223	0.178	3	108.7223	0.032	3	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[5]C)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(OC)(H){2|C<3>,6|C<4>}	H(C[6]C[6]2H)	108.3860	0.024	2	108.3860	0.001	2	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HO)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5600	0.000	1	108.5600	0.000	1	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2600	0.025	2	109.2600	0.001	2	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4530	0.025	2	109.4530	0.001	2	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1755	0.028	2	109.1755	0.001	2	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|O<1>,1|S<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6450	1.827	2	108.8432	0.871	5	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){2|C<4>,6|H<1>}	H(C[6]C[6]2H)	108.9753	0.088	3	108.8432	0.871	5	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.9725	0.065	4	109.9725	0.004	4	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]BrH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]BrH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|Br<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.9975	0.059	2	109.9975	0.003	2	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]HH)(OH)(H){2|C<3>,5|C<4>}	H(C[6]C[6]2H)	108.5525	0.411	4	108.5498	0.104	6	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]HH)(OH)(H){3|C<3>,4|C<4>}	H(C[6]C[6]2H)	108.5445	0.098	2	108.5498	0.104	6	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H){2|C<3>,5|C<4>}	H(C[6]C[6]2H)	108.9260	0.000	1	108.9260	0.000	1	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){3|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.6275	0.030	2	108.6275	0.001	2	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{5|C<4>}	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.9473	0.246	3	108.9473	0.061	3	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{5|C<4>}	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.8980	0.054	2	108.8980	0.003	2	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.3290	0.025	2	109.3528	0.001	4	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.3765	0.028	2	109.3528	0.001	4	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OC)(H){1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.5155	0.008	2	108.5155	0.000	2	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6145	0.019	2	109.8432	0.119	13	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.0616	0.296	7	109.8432	0.119	13	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5755	0.242	4	109.8432	0.119	13	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.5380	0.000	1	109.4323	0.419	11	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7363	0.605	6	109.4323	0.419	11	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6440	0.048	2	109.4323	0.419	11	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7555	0.016	2	109.4323	0.419	11	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.7096	0.057	8	108.7096	0.003	8	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.6950	0.157	4	109.0478	0.314	6	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.7535	0.015	2	109.0478	0.314	6	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.7620	0.515	2	108.7620	0.265	2	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|O<2>,7|C<4>}	H(C[6]C[6]2H)	108.5205	0.023	2	108.5205	0.001	2	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	108.9457	0.171	3	108.9457	0.029	3	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[3,3x6]C[6]2)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6,6]C[3,3x6]C[6]2)(C[6]C[6]HH)(OSi)(H){1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.4000	0.008	2	109.4000	0.000	2	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.2040	0.000	1	109.2040	0.000	1	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6420	0.044	2	109.6420	0.002	2	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5345	0.065	4	109.6688	0.046	6	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.9375	0.021	2	109.6688	0.046	6	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4698	0.025	4	109.4698	0.001	4	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.2558	0.105	4	109.2325	0.008	6	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1860	0.007	2	109.2325	0.008	6	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.3042	0.079	4	109.3042	0.006	4	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7843	0.109	4	109.7843	0.012	4	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6425	0.028	2	109.3571	0.039	7	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.2430	0.035	5	109.3571	0.039	7	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2763	0.051	7	109.3919	0.156	17	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4580	0.018	2	109.3919	0.156	17	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2855	0.037	2	109.3919	0.156	17	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	110.0640	1.151	2	109.3919	0.156	17	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2785	0.150	4	109.3919	0.156	17	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H){1|C<2>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3155	0.019	2	109.3155	0.000	2	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(OC)(H){1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6]2H)	110.0665	0.071	2	110.0665	0.005	2	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.7655	0.006	2	109.1778	2.056	13	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2050	0.049	2	109.1778	2.056	13	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.9820	0.000	1	109.1778	2.056	13	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.7450	0.040	2	109.1778	2.056	13	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.7080	0.055	2	109.1778	2.056	13	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.2045	0.489	2	109.1778	2.056	13	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	106.0370	0.223	2	109.1778	2.056	13	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|N<2>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0165	0.012	2	109.4787	0.134	7	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6855	0.018	2	109.4787	0.134	7	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.0180	0.000	1	109.4787	0.134	7	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4645	0.049	2	109.4787	0.134	7	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8550	0.604	2	109.3459	0.424	12	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	110.1480	1.557	2	109.3459	0.424	12	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2660	0.016	2	109.3459	0.424	12	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.3750	0.007	2	109.3459	0.424	12	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){3|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.1500	0.006	2	109.3459	0.424	12	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2815	0.037	2	109.3459	0.424	12	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OSi)(H){1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.0850	0.038	2	109.2335	0.014	6	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OSi)(H){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3077	0.040	4	109.2335	0.014	6	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HH)(OH)(H){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2860	0.016	2	109.2860	0.000	2	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OC)(H){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4270	0.037	2	109.4270	0.001	2	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9120	0.000	1	108.9120	0.000	1	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5835	0.045	2	109.5835	0.002	2	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(OH)(H){1|Cl<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.1025	0.022	2	109.1025	0.000	2	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(OH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3455	0.012	2	109.3455	0.000	2	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.9690	0.007	2	109.9690	0.000	2	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(OC)(H){1|O<1>,1|S<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1097	0.134	6	109.1097	0.018	6	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.4745	0.015	2	109.4007	0.016	3	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6]2H)	109.2530	0.000	1	109.4007	0.016	3	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.9698	0.250	4	109.2792	0.267	6	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8980	0.024	2	109.2792	0.267	6	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.8460	0.000	1	108.8107	0.002	3	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.7930	0.040	2	108.8107	0.002	3	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.3720	0.000	1	109.3720	0.000	1	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1320	0.016	2	109.1645	0.092	14	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2867	0.206	10	109.1645	0.092	14	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5860	0.024	2	109.1645	0.092	14	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1405	0.005	2	109.1405	0.000	2	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OS)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.1095	0.037	2	109.1095	0.001	2	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4715	0.032	2	109.4715	0.001	2	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(OH)(H){1|O<1>,1|O<2>,1|S<4>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2395	0.043	2	109.2395	0.002	2	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]N[5,6]CH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]N[5,6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|N<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.3845	0.018	2	109.3845	0.000	2	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]N[5,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]N[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1560	0.017	2	109.1560	0.000	2	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]N[5,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]N[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4790	6.761	2	109.4790	45.716	2	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]N[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.7960	0.014	2	109.7960	0.000	2	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(H)2{1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[6]2H)	108.6900	0.004	2	108.6900	0.000	2	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	110.9555	4.136	2	110.9555	17.105	2	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.2015	0.129	2	109.2015	0.017	2	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]S[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]S[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|S<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5460	0.024	2	109.5460	0.001	2	109.2138	0.557	315	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(CC[6a]CO)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(CC[6a]CO)(O[6]C[6])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6030	0.137	3	109.6030	0.019	3	109.6534	0.015	7	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(CC[6a]HN)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(CC[6a]HN)(O[6]C[6])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5945	0.064	2	109.5945	0.004	2	109.6534	0.015	7	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(CC[6a]HS)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(CC[6a]HS)(O[6]C[6])(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.7880	0.006	2	109.7880	0.000	2	109.6534	0.015	7	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-2:Br-1:	C[6]-4:	C[6](C[6]C[6]BrC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CN)(Br)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrC)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<2>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CN)(Br){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	107.7120	5.985	2	107.7120	35.820	2	107.7120	35.820	2	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.6005	7.628	2	110.6005	58.180	2	108.8249	8.592	35	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CN)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	107.9900	2.920	2	107.9900	8.528	2	108.8249	8.592	35	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN)(H){1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6]2H)	109.4945	1.562	2	109.4945	2.440	2	108.8249	8.592	35	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4620	0.034	2	109.4321	0.002	9	108.8249	8.592	35	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4236	0.048	7	109.4321	0.002	9	108.8249	8.592	35	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CC[6])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3537	0.275	4	109.3537	0.075	4	108.8249	8.592	35	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.3105	1.043	4	107.7779	17.792	12	108.8249	8.592	35	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	105.6054	7.332	4	107.7779	17.792	12	108.8249	8.592	35	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4177	0.377	4	107.7779	17.792	12	108.8249	8.592	35	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.1300	0.010	2	109.1300	0.000	2	108.8249	8.592	35	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)2(CC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4015	0.005	2	109.4015	0.000	2	108.8249	8.592	35	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Ge-2:H-1:	C[6]-4:	C[6](C[6]C[6]GeH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(GeN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]GeH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(GeN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0565	0.089	4	109.0565	0.008	4	109.0565	0.008	4	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HN)(H)2{2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	108.4065	0.725	2	108.4065	0.525	2	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NN)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6788	0.055	5	109.5769	0.033	7	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NN)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3220	0.037	2	109.5769	0.033	7	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(NN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2{1|C<2>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(NN)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.8445	0.016	2	109.8445	0.000	2	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC)(H){5|C<4>}	H(C[6]C[6]2H)	110.5483	2.258	12	110.5483	5.100	12	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NN)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.3200	0.074	2	109.3200	0.005	2	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.3555	0.013	2	109.3555	0.000	2	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9995	0.036	2	108.9995	0.001	2	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2667	0.520	477	109.2591	0.334	498	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0490	1.424	19	109.2591	0.334	498	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4305	0.021	2	109.2591	0.334	498	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[5])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[5])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4075	0.223	4	109.4075	0.050	4	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMn)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMn)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4117	2.499	25	109.4117	6.245	25	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4265	0.018	2	109.4265	0.000	2	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NP)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1320	0.028	2	109.1320	0.001	2	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|S<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5430	0.041	2	109.5430	0.002	2	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CN)(NN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CN)(NN)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3610	0.020	2	109.3610	0.000	2	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3995	0.531	44	109.2449	0.323	401	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7064	1.836	16	109.2449	0.323	401	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2502	0.423	341	109.2449	0.323	401	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NC[4])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[4])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3697	0.104	19	109.3697	0.011	19	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NC[4a])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[4a])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3562	0.041	5	109.3562	0.002	5	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NC[5])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[5])(H){1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	109.5280	0.042	4	109.3858	0.152	44	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NC[5])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[5])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3715	0.406	40	109.3858	0.152	44	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NC[5a])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[5a])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4938	0.120	18	109.4938	0.014	18	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NC[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2827	0.184	22	109.2827	0.034	22	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NC[6a])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6a])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3023	0.121	4	109.3023	0.015	4	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)2(NH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4880	0.109	4	109.4880	0.012	4	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NMo)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NMo)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3222	0.739	35	109.3222	0.546	35	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2368	0.088	4	109.2368	0.008	4	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NP)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1095	0.214	11	109.1095	0.046	11	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NP[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NP[6])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3695	0.188	37	109.3695	0.035	37	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5064	0.066	7	109.5064	0.004	7	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3706	0.220	9	109.3706	0.049	9	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NC)(H){1|In<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5410	0.014	2	109.5410	0.000	2	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(NN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(NN)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.9085	0.030	2	108.9085	0.001	2	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(NN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(NN)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.8780	0.027	2	109.8780	0.001	2	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NN)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.6550	0.021	2	108.6550	0.000	2	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(NC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(NC)(H){1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.2135	4.899	4	108.6782	7.181	68	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(NC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(NC)(H){1|N<3>,4|C<4>}	H(C[6]C[6]2H)	108.6448	2.544	64	108.6782	7.181	68	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(NC[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(NC[6])(H){1|N<3>,4|C<4>}	H(C[6]C[6]2H)	107.8560	2.460	4	107.8560	6.054	4	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(NC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(NC)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.3165	0.123	4	109.3165	0.015	4	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)2(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.3406	0.279	8	109.3406	0.078	8	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(H)2	C[6](C[6]C[6]HH)2(NC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,2|H<1>,2|N<2>}	H(C[6]C[6]2H)	109.2677	1.276	47	109.2677	1.629	47	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(H)2	C[6](C[6]C[6]HH)2(NC[5])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[5])(H){1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	109.1393	0.028	3	109.1393	0.001	3	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(H)2	C[6](C[6]C[6]HH)2(NN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NN)(H){1|C<4>,2|H<1>,2|N<2>}	H(C[6]C[6]2H)	109.3552	0.177	12	109.3552	0.031	12	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(H)2	C[6](C[6]C[6]HH)2(NP[3x6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NP[3x6])(H){1|C<4>,2|H<1>,2|N<2>}	H(C[6]C[6]2H)	108.9497	0.074	10	108.9497	0.005	10	109.2528	0.866	1348	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]B[5]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]HO)(H)2{1|B<3>,1|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H){1|B<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5850	0.013	2	109.5850	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7735	0.009	2	109.7735	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3560	0.137	7	109.3560	0.019	7	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1993	0.100	10	109.1993	0.010	10	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3,6]CC)(C[6]C[6]HO)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]CC)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OSi)(H){1|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.4870	0.055	2	108.4870	0.003	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	107.6608	1.113	6	107.6608	1.239	6	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.6105	0.015	2	109.6105	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3]C[6]O)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]O)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H){1|O<2>,1|S<4>,2|C<4>}	H(C[6]C[6]2H)	108.9875	0.006	2	108.9875	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3x6]CC)(C[6]C[6]HO)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CC)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,4|C<4>}	H(C[6]C[6]2H)	108.9645	0.022	2	108.9645	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4960	0.000	1	109.4960	0.000	1	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1270	0.083	8	109.1270	0.007	8	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3x6]N[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]N[6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.7880	0.028	2	109.7880	0.001	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1780	0.013	4	109.1780	0.000	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.4122	0.694	5	108.6417	0.475	7	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2155	0.019	2	108.6417	0.475	7	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9720	0.000	1	108.9720	0.000	1	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3040	0.007	2	108.1865	1.913	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.0690	0.863	2	108.1865	1.913	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){1|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.8704	0.468	10	108.8704	0.219	10	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]CO)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CO)(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){1|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.4838	0.146	4	108.4838	0.021	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(H)2{2|C<3>,3|C<4>}	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2530	0.000	1	109.2530	0.000	1	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5097	0.220	4	109.5097	0.049	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3760	0.021	2	109.3760	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3165	0.005	2	109.3165	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	111.0553	0.819	4	111.0553	0.671	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.3270	0.867	2	109.5766	0.661	5	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0763	0.091	3	109.5766	0.661	5	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OSi)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0760	0.011	2	109.0760	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.5590	0.000	1	108.5590	0.000	1	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1640	0.049	2	109.1640	0.002	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(OC)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3505	0.013	2	109.3505	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1625	0.088	12	109.1445	0.010	16	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(OH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0905	0.127	4	109.1445	0.010	16	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]S[6]CH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HO)(H)2{1|H<1>,1|S<2>,5|C<3>}	C[6](C[6]C[6]HH)(C[6]S[6]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	108.3795	0.145	4	108.3795	0.021	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[3,5,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[3,5,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3290	0.023	2	109.3290	0.001	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9500	0.000	1	108.9500	0.000	1	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9150	0.075	4	108.9150	0.006	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0510	0.023	2	109.0510	0.001	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4435	0.023	2	109.4435	0.001	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9913	0.074	4	108.9913	0.005	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4420	0.008	2	109.9492	1.524	6	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	110.2027	1.511	4	109.9492	1.524	6	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.1490	0.029	8	109.2564	0.056	15	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5712	0.190	4	109.2564	0.056	15	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1230	0.250	3	109.2564	0.056	15	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0480	0.000	1	109.0480	0.000	1	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0795	0.059	2	109.0795	0.003	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.4700	0.777	11	108.4700	0.604	11	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3910	0.011	2	109.3910	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(OH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8090	2.655	4	108.8090	7.047	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3805	1.728	15	109.3689	2.090	21	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(OC)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3795	0.008	2	109.3689	2.090	21	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3200	0.029	4	109.3689	2.090	21	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OC[6a])(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(OC[6a])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8367	0.775	4	109.8367	0.600	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0813	0.236	4	109.2467	0.037	12	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3294	0.104	8	109.2467	0.037	12	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OSi)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.3575	0.030	2	108.3575	0.001	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H){1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.2965	0.079	4	109.2965	0.006	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5]O[6]O)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]O[6]O)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(OSi)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.4310	0.008	4	109.4310	0.000	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.2555	1.398	2	109.2555	1.954	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,1|S<2>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.9505	0.025	2	109.9505	0.001	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.8440	0.037	2	109.8440	0.001	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HO)(H)2{1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.2405	1.883	4	109.2405	3.545	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]B[5x3,5x5,21x6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HO)(H)2{2|H<1>,5|B<6>}	C[6](C[6]B[5x3,5x5,21x6]HH)(C[6]C[6]HH)(OC)(H){1|C<6>,2|H<1>,4|B<6>}	H(C[6]C[6]2H)	108.7640	0.031	2	108.7640	0.001	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,4|C<4>}	H(C[6]C[6]2H)	109.2235	0.006	2	109.2235	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){5|C<4>}	H(C[6]C[6]2H)	108.2405	1.585	4	108.2405	2.513	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,4|C<4>}	H(C[6]C[6]2H)	107.9470	0.020	2	108.4649	0.150	7	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){5|C<4>}	H(C[6]C[6]2H)	108.6720	0.191	5	108.4649	0.150	7	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9580	0.016	2	108.9580	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OSi)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.6660	0.022	4	108.6660	0.000	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.0830	0.018	2	109.0830	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9225	0.496	4	109.6089	0.517	9	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.1580	0.037	5	109.6089	0.517	9	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3370	0.018	2	109.3370	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6,6]CO)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[5,6,6]CO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4927	0.399	6	109.4927	0.159	6	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|Br<1>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4020	0.013	2	109.4020	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	104.7595	2.409	2	109.5448	0.491	136	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1290	0.000	1	109.5448	0.491	136	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5600	0.276	23	109.5448	0.491	136	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4305	0.015	2	109.5448	0.491	136	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3280	0.037	2	109.5448	0.491	136	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6420	0.335	106	109.5448	0.491	136	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[5])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0980	0.000	1	109.0980	0.000	1	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[6])(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4330	0.033	2	109.4715	0.022	15	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[6])(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4775	0.160	13	109.4715	0.022	15	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4570	0.018	2	109.3751	0.069	235	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5740	0.000	1	109.3751	0.069	235	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2645	0.297	4	109.3751	0.069	235	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3321	0.408	52	109.3751	0.069	235	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5975	0.009	2	109.3751	0.069	235	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3485	0.019	2	109.3751	0.069	235	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|C<3>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3430	0.033	2	109.3751	0.069	235	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2410	0.007	2	109.3751	0.069	235	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3885	0.203	168	109.3751	0.069	235	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(ON)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(ON)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5100	0.000	1	109.5100	0.000	1	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3984	0.107	10	109.3984	0.011	10	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3690	0.000	2	109.1823	1.160	12	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0340	0.007	2	109.1823	1.160	12	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1728	1.344	8	109.1823	1.160	12	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4570	0.000	1	109.4623	0.186	20	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6910	0.059	2	109.4623	0.186	20	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5942	0.033	6	109.4623	0.186	20	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4080	0.213	5	109.4623	0.186	20	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7570	1.529	2	109.4623	0.186	20	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0720	0.008	4	109.4623	0.186	20	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	116.1460	8.782	2	109.5188	31.848	9	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.6253	3.284	7	109.5188	31.848	9	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0180	0.111	6	109.5274	4.651	10	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.2915	3.555	4	109.5274	4.651	10	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|Cl<1>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3674	0.124	5	109.3674	0.015	5	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|Cl<1>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2700	0.021	2	109.2700	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4770	0.133	2	109.5562	0.117	255	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7340	0.302	101	109.5562	0.117	255	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4130	0.236	8	109.5562	0.117	255	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4760	0.006	2	109.5562	0.117	255	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0918	0.925	6	109.5562	0.117	255	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.2892	0.094	4	109.5562	0.117	255	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2591	0.179	7	109.5562	0.117	255	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|Cl<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2718	0.069	6	109.5562	0.117	255	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0875	0.052	2	109.5562	0.117	255	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3842	0.138	19	109.5562	0.117	255	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5087	0.286	98	109.5562	0.117	255	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC[5])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC[5])(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5920	0.132	4	109.5920	0.017	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC[6])(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3675	0.121	11	109.3675	0.015	11	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6040	0.053	4	109.4881	0.991	410	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5400	0.178	108	109.4881	0.991	410	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3975	0.015	2	109.4881	0.991	410	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3310	0.016	2	109.4881	0.991	410	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.3235	0.066	4	109.4881	0.991	410	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9570	0.048	2	109.4881	0.991	410	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.7975	0.018	2	109.4881	0.991	410	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2762	0.117	14	109.4881	0.991	410	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4827	1.215	272	109.4881	0.991	410	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OP)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OP)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.9435	0.032	2	109.9435	0.001	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OS)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6662	0.069	8	109.6298	0.010	10	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OS)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4840	0.058	2	109.6298	0.010	10	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4475	0.207	6	109.4475	0.043	6	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7647	0.147	4	109.7647	0.022	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3355	0.012	2	109.3355	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.9855	0.039	2	109.8595	0.351	6	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7965	0.754	4	109.8595	0.351	6	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7785	0.026	2	109.1234	1.106	12	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.3885	2.015	2	109.1234	1.106	12	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3934	0.303	8	109.1234	1.106	12	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HS)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HS)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1865	0.022	2	109.1865	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]N[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6,6]N[6]H)(C[6]C[6]HH)(OH)(H){3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.2055	0.035	2	109.2055	0.001	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.6052	0.287	4	109.6052	0.082	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OSi)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.5815	0.012	2	109.5815	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6455	0.088	6	109.6455	0.008	6	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6880	0.107	3	109.6880	0.011	3	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8420	0.035	2	108.8420	0.001	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6495	0.028	2	108.8738	0.068	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.0980	0.041	2	108.8738	0.068	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OSi)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0995	0.005	2	109.0995	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1335	0.039	2	109.1335	0.002	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	108.8240	0.000	1	109.0815	0.133	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3390	0.000	1	109.0815	0.133	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4455	0.019	2	109.4455	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	H(C[6]C[6]2H)	109.0050	0.021	2	109.0050	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6485	0.028	2	109.6485	0.001	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.8645	0.022	2	109.8645	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7775	0.011	2	109.7775	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.5710	0.000	1	108.5710	0.000	1	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4925	0.012	2	109.4925	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2	C[6](C[6]N[6,6a]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6,6a]HH)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	111.8320	0.349	2	111.8320	0.122	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HO)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OC)(H){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	109.6345	0.025	2	109.6345	0.001	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H){1|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.0870	0.007	2	109.0870	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.9635	0.033	4	108.9635	0.001	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|Cl<1>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.1920	0.016	2	108.1920	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.1194	0.023	5	107.9277	0.110	7	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|N<3>,4|C<4>}	H(C[6]C[6]2H)	107.4485	0.111	2	107.9277	0.110	7	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|S<4>,3|C<4>}	H(C[6]C[6]2H)	108.3300	0.027	4	108.7534	0.206	8	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|S<4>,3|C<4>}	H(C[6]C[6]2H)	109.1767	0.030	4	108.7534	0.206	8	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<2>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(OC)(H){1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.8631	0.052	9	108.8631	0.003	9	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.3830	2.232	2	108.6670	1.768	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.9510	0.031	2	108.6670	1.768	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(OH)(H){1|N<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.1985	0.032	2	109.1985	0.001	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|Si<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	106.5530	0.827	2	109.0655	1.480	182	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0942	1.199	178	109.0655	1.480	182	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0275	0.039	2	109.0655	1.480	182	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2511	1.009	74	109.2511	1.017	74	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1640	0.139	6	109.1640	0.019	6	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4388	0.291	6	109.4388	0.085	6	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	108.9597	0.783	4	109.0933	0.170	14	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.4590	0.007	2	109.0933	0.170	14	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.1500	0.006	2	109.0933	0.170	14	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0415	0.047	6	109.0933	0.170	14	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(ON)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(ON)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9157	0.054	3	108.9157	0.003	3	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1859	0.198	70	109.1859	0.039	70	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP[5])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP[5])(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3195	0.009	2	109.3195	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3420	0.145	4	109.3698	0.015	6	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4255	0.042	2	109.3698	0.015	6	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4790	0.027	2	109.3697	0.017	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2605	0.050	2	109.3697	0.017	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OH)(H){1|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.1180	0.066	2	108.1180	0.004	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3667	0.199	4	109.1700	0.045	10	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0388	0.081	6	109.1700	0.045	10	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.3480	0.000	1	108.8260	0.171	3	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0650	0.006	2	108.8260	0.171	3	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2040	0.023	2	109.2040	0.001	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3540	0.000	2	109.4578	0.015	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5615	0.025	2	109.4578	0.015	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3540	0.000	2	109.3540	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]2H)	108.7293	0.104	3	108.7293	0.011	3	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H){1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.9514	0.251	22	109.9514	0.063	22	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2520	0.065	2	108.8293	0.240	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.4065	0.022	2	108.8293	0.240	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|H<1>,4|C<4>}	H(C[6]C[6]2H)	110.4370	0.000	1	109.4682	0.201	8	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.0650	0.010	2	109.4682	0.201	8	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4358	0.184	5	109.4682	0.201	8	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.1150	0.000	1	109.1150	0.000	1	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(OH)(H){2|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.9250	0.020	2	108.9250	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(OSi)(H){1|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.0590	0.011	2	109.0590	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.1178	0.023	4	108.1178	0.001	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.4013	0.147	7	109.3798	0.018	9	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.3045	0.013	2	109.3798	0.018	9	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|O<2>,1|S<4>,2|C<4>}	H(C[6]C[6]2H)	108.7460	0.000	1	108.7460	0.000	1	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|C<2>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(OC)(H){1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.0344	0.229	14	109.0344	0.052	14	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(H)2{1|C<4>,1|F<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OS)(H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	H(C[6]C[6]2H)	109.5695	0.005	2	109.5695	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(H)2{1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	H(C[6]C[6]2H)	109.6513	0.222	6	109.6513	0.049	6	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6830	2.474	4	109.6830	6.121	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[3]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[6]HH)(OH)(H){2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2170	0.072	2	109.2170	0.005	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(OSi)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4665	0.005	2	109.4665	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2280	0.043	4	109.2280	0.002	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6600	0.020	2	109.6600	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2570	0.011	2	109.2570	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OS)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8910	0.014	2	109.8910	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.3364	0.407	14	109.4258	0.725	18	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7388	1.796	4	109.4258	0.725	18	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.0830	0.013	2	109.0830	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3700	0.058	2	109.3700	0.003	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.3665	0.072	4	109.3665	0.005	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9235	0.523	2	108.9235	0.273	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1025	0.054	2	109.1025	0.003	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1680	0.006	2	109.1680	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.9480	0.038	2	108.9480	0.001	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4650	0.044	2	109.5042	0.004	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5435	0.054	2	109.5042	0.004	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2515	0.252	6	109.2515	0.063	6	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5990	0.000	1	109.5990	0.000	1	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OC[5])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OC[5])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6557	0.072	3	109.6557	0.005	3	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5312	0.100	5	109.5312	0.010	5	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3180	0.024	2	109.4858	0.220	24	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0370	0.013	2	109.4858	0.220	24	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7463	0.177	16	109.4858	0.220	24	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0880	0.045	2	109.4858	0.220	24	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.4170	0.673	2	109.4858	0.220	24	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7800	0.073	6	109.6635	0.050	8	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3140	0.027	2	109.6635	0.050	8	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4385	0.054	2	109.4385	0.003	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5895	0.018	2	109.2394	0.388	23	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2061	0.643	21	109.2394	0.388	23	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4957	0.132	6	109.4957	0.017	6	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2895	0.053	2	109.4515	0.025	30	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3580	0.033	2	109.4515	0.025	30	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5730	0.126	6	109.4515	0.025	30	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5180	0.025	2	109.4515	0.025	30	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7140	0.010	2	109.4515	0.025	30	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3960	0.033	4	109.4515	0.025	30	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4615	0.008	2	109.4515	0.025	30	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	109.3220	0.065	2	109.4515	0.025	30	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0945	0.022	2	109.4515	0.025	30	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5012	0.057	6	109.4515	0.025	30	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2085	0.008	2	109.2085	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3590	0.182	7	109.3590	0.033	7	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2262	0.074	4	109.2262	0.005	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4890	0.025	2	109.4890	0.001	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0267	0.056	6	109.0809	0.012	8	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<4>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.2435	0.018	2	109.0809	0.012	8	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OP)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|S<3>,2|C<3>}	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3190	0.021	2	109.3190	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H){1|Se<2>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5125	0.009	2	109.3788	0.015	5	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2897	0.005	3	109.3788	0.015	5	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Cl<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OS)(H){1|C<3>,1|I<1>,2|H<1>}	H(C[6]C[6]2H)	109.2825	0.032	2	109.2825	0.001	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|F<1>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6]2H)	109.1795	0.029	4	109.1795	0.001	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	106.6740	6.240	2	106.6740	38.931	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4577	0.147	12	109.4934	0.026	14	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7075	0.005	2	109.4934	0.026	14	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC[6a])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC[6a])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5125	0.047	2	109.5125	0.002	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.9997	1.538	6	109.0006	0.855	39	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.7167	1.031	12	109.0006	0.855	39	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6]2H)	108.6740	1.093	4	109.0006	0.855	39	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1748	0.408	13	109.0006	0.855	39	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6140	0.179	4	109.0006	0.855	39	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OB)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OB)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0105	0.016	2	109.0105	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2200	0.000	1	109.0879	2.122	169	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.2230	1.344	6	109.0879	2.122	169	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1375	1.475	154	109.0879	2.122	169	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|Cl<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5700	0.031	2	109.0879	2.122	169	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.2440	1.433	4	109.0879	2.122	169	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0055	0.108	2	109.0879	2.122	169	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9390	0.010	2	108.9390	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4548	0.176	37	109.4548	0.031	37	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4425	0.634	2	108.9841	0.837	72	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.0650	1.205	4	108.9841	0.837	72	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3416	0.192	42	108.9841	0.837	72	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7370	0.014	2	108.9841	0.837	72	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.1730	1.130	10	108.9841	0.837	72	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	107.8742	1.282	10	108.9841	0.837	72	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]2H)	109.7090	0.010	2	108.9841	0.837	72	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OP)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4107	0.316	7	109.4107	0.100	7	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OS)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.2940	1.667	2	108.6985	1.173	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OS)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.1030	0.288	2	108.6985	1.173	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HP)(OP)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(OP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4110	0.651	2	109.4110	0.423	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<1>,1|S<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OC)(H){1|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2120	0.000	1	109.4534	0.050	9	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4836	0.220	8	109.4534	0.050	9	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|S<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2190	0.006	2	109.1905	0.001	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|S<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1620	0.025	2	109.1905	0.001	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.6815	0.006	2	109.3931	0.046	8	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2245	0.021	2	109.3931	0.046	8	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3332	0.170	4	109.3931	0.046	8	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7690	0.023	2	109.4562	0.070	8	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6255	0.009	2	109.4562	0.070	8	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1835	0.026	2	109.4562	0.070	8	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2470	0.048	2	109.4562	0.070	8	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<2>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5635	0.009	2	109.4525	0.194	6	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0355	0.640	2	109.4525	0.194	6	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7585	0.029	2	109.4525	0.194	6	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	109.6655	0.013	2	109.5008	0.024	5	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3910	0.054	3	109.5008	0.024	5	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC[6a])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC[6a])(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	108.1375	0.822	2	108.9465	1.098	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC[6a])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC[6a])(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7555	0.011	2	108.9465	1.098	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2425	0.040	2	109.4030	0.045	8	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	109.3303	0.131	4	109.4030	0.045	8	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|H<1>,2|N<3>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H){1|C<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.7090	0.017	2	109.4030	0.045	8	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HN)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<1>,2|N<3>}	C[6](C[6]C[6]HH)(C[6]N[6]HN)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.0842	0.055	4	110.0842	0.003	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HO)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HO)(OC)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	109.8165	0.046	2	109.8165	0.002	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HO)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]N[6]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7150	0.021	2	109.7150	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.0210	0.000	1	109.0820	1.453	10	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.4495	1.884	2	109.0820	1.453	10	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9845	1.179	6	109.0820	1.453	10	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.9930	0.000	1	109.0820	1.453	10	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC[6])(H){1|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.9650	0.000	1	109.9650	0.000	1	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5940	0.033	2	109.7963	0.056	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.9985	0.043	2	109.7963	0.056	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5939	0.219	15	109.5714	0.043	19	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4868	0.152	4	109.5714	0.043	19	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC[6])(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8000	0.034	2	109.8000	0.001	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5414	0.054	5	109.5273	0.003	7	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4920	0.017	2	109.5273	0.003	7	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OS)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5790	0.159	4	109.5790	0.025	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]S[6]CH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]S[6]CH)(OH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1525	0.008	2	109.1525	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1431	1.497	8	109.3924	0.446	105	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)2(OC)(H){1|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1238	0.867	4	109.3924	0.446	105	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5376	0.181	7	109.3924	0.446	105	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.6554	0.071	7	109.3924	0.446	105	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6107	0.141	42	109.3924	0.446	105	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8800	0.000	1	109.3924	0.446	105	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9971	1.119	14	109.3924	0.446	105	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2570	0.025	2	109.3924	0.446	105	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2103	0.489	20	109.3924	0.446	105	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OC[5])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(OC[5])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4248	0.186	23	109.4248	0.034	23	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OC[6,6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(OC[6,6])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6457	0.124	4	109.6457	0.015	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OC[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(OC[6])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6130	0.145	10	109.6130	0.021	10	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OC[6a])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(OC[6a])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7552	0.117	9	109.4739	0.172	20	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OC[6a])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(OC[6a])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2438	0.431	11	109.4739	0.172	20	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3402	0.074	4	109.1994	0.570	147	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4447	0.038	3	109.1994	0.570	147	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7510	0.000	1	109.1994	0.570	147	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0788	1.149	16	109.1994	0.570	147	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0655	1.077	14	109.1994	0.570	147	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	107.9887	1.544	4	109.1994	0.570	147	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5604	0.070	7	109.1994	0.570	147	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|N<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4165	0.026	4	109.1994	0.570	147	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0715	0.925	32	109.1994	0.570	147	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.3642	0.203	8	109.1994	0.570	147	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8768	0.886	4	109.1994	0.570	147	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3978	0.100	5	109.1994	0.570	147	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.3997	0.246	7	109.1994	0.570	147	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1480	0.041	3	109.1994	0.570	147	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4155	0.163	16	109.1994	0.570	147	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2922	0.177	19	109.1994	0.570	147	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OMo)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(OMo)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4707	0.148	4	109.4707	0.022	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(ON[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(ON[6])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8140	0.039	4	109.8140	0.002	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OP)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(OP)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.5106	0.171	8	109.4696	0.036	104	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OP)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(OP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4662	0.190	96	109.4696	0.036	104	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(OS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8010	3.771	12	109.1367	7.027	38	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(OS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2916	2.016	26	109.1367	7.027	38	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]IrH)(C[6]C[6]HH)(OP)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Ir<5>,1|C<4>,3|H<1>}	C[6](C[6]C[6]IrH)(C[6]C[6]HH)(OP)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.3704	0.213	8	109.3704	0.045	8	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OB[5])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OB[5])(H){1|B<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8148	0.041	8	108.8148	0.002	8	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3390	0.137	4	109.3390	0.019	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1193	0.301	6	109.1193	0.091	6	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H){3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0860	0.031	2	109.0860	0.001	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Se<2>,1|C<4>,3|H<1>}	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8305	0.036	2	109.8305	0.001	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Se<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(OH)(H){1|Cl<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2900	0.030	2	109.2900	0.001	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3418	0.175	14	109.3418	0.031	14	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC[6])(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5345	0.159	4	109.5345	0.025	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1527	0.186	8	109.1685	0.028	10	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H){3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2315	0.009	2	109.1685	0.028	10	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	107.8807	1.304	3	107.8807	1.699	3	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(ON[5])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(ON[5])(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.9020	0.023	2	108.9020	0.001	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.1585	0.057	2	109.2585	0.014	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<4>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3585	0.006	2	109.2585	0.014	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5605	0.005	2	109.5605	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OSi)(H){3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.8225	0.025	2	109.7950	0.003	3	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OSi)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.7400	0.000	1	109.7950	0.003	3	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2927	0.069	3	109.2927	0.005	3	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.7405	0.012	2	108.7405	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	107.4785	2.849	2	107.4785	8.116	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.5990	0.006	2	108.9028	0.030	17	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	108.9680	0.112	4	108.9028	0.030	17	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,2|H<1>,2|N<4>}	H(C[6]C[6]2H)	108.9343	0.149	11	108.9028	0.030	17	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2{1|Br<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(OSi)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.6653	0.586	4	108.6653	0.344	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(OC)(H){1|N<3>,3|C<4>}	H(C[6]C[6]2H)	108.6885	0.035	2	108.7842	0.090	87	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(OC)(H){1|N<3>,4|C<4>}	H(C[6]C[6]2H)	108.7621	0.316	73	108.7842	0.090	87	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(OC)(H){1|N<3>,4|C<4>}	H(C[6]C[6]2H)	108.9345	0.137	12	108.7842	0.090	87	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(OC[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(OC[6])(H){1|N<3>,4|C<4>}	H(C[6]C[6]2H)	108.5758	1.348	30	108.5758	1.816	30	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(OC[6a])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(OC[6a])(H){1|N<3>,4|C<4>}	H(C[6]C[6]2H)	109.1005	0.124	28	109.1005	0.015	28	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|N<3>,4|C<4>}	H(C[6]C[6]2H)	108.9215	0.018	2	108.8789	0.019	15	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|N<4>,4|C<4>}	H(C[6]C[6]2H)	108.8724	0.149	13	108.8789	0.019	15	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(OS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(OS)(H){1|N<3>,4|C<4>}	H(C[6]C[6]2H)	109.0737	0.107	11	109.0737	0.012	11	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(OSi)(H){1|N<3>,4|C<4>}	H(C[6]C[6]2H)	108.7725	0.173	13	108.7725	0.030	13	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.7323	0.235	10	108.7323	0.055	10	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	109.3740	0.013	2	109.3740	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.3010	0.160	4	109.3640	0.039	13	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	109.3642	0.099	4	109.3640	0.039	13	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.1895	0.021	2	109.3640	0.039	13	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5640	0.290	3	109.3640	0.039	13	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(OS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(OS)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.7055	0.013	2	109.7055	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.2270	0.010	2	109.2270	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|Cl<1>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9100	0.242	4	108.9100	0.059	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.1808	0.026	6	109.1896	0.001	7	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.2420	0.000	1	109.1896	0.001	7	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|F<1>,1|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OH)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.4085	0.041	4	109.4085	0.002	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HI)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|H<1>,1|I<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HI)(OH)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	108.7555	0.338	4	108.7555	0.114	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.5750	0.490	4	108.7553	1.769	6	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	107.1160	0.255	2	108.7553	1.769	6	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(OC)(H){1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.2867	0.218	4	109.4843	2.204	16	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(OC)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.5502	1.725	12	109.4843	2.204	16	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	108.0508	3.269	37	108.7942	5.437	79	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.5563	0.043	7	108.7942	5.437	79	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.4692	0.153	19	108.7942	5.437	79	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.2310	0.077	3	108.7942	5.437	79	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.4125	0.136	13	108.7942	5.437	79	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(OS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(OS)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	110.0460	0.011	2	110.0460	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.5990	0.008	2	109.5990	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6420	0.137	4	109.6420	0.019	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HI)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|I<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HI)(OC)(H){1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7070	0.037	2	109.7070	0.001	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.3920	0.893	8	109.3920	0.798	8	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4295	0.033	2	109.4295	0.001	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)2(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(OC)(H){1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7070	2.385	4	109.7070	5.689	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.5460	0.013	4	109.5149	0.014	31	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.4653	0.087	11	109.5149	0.014	31	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5413	0.138	16	109.5149	0.014	31	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)2(OS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(OS)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.9825	0.333	4	109.9825	0.111	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)2(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(OSi)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.3925	0.018	4	109.3925	0.000	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	108.9005	0.047	2	108.9005	0.002	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.2545	0.023	2	109.2545	0.001	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	H(C[6]C[6]2H)	109.8610	0.000	1	109.8610	0.000	1	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4390	0.014	2	109.4390	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)2(OS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(OS)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.3345	0.875	4	109.3345	0.766	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.0970	0.023	2	109.0970	0.001	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2{1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.8070	0.010	2	109.8070	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	108.6280	0.242	6	108.6280	0.059	6	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.6430	0.000	1	109.3584	0.046	5	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.2873	0.166	4	109.3584	0.046	5	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]S[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|S<2>,4|H<1>}	H(C[6]C[6]2H)	109.4195	0.856	2	109.4195	0.733	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)2(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]S[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(OC)(H){1|S<2>,4|H<1>}	H(C[6]C[6]2H)	108.8427	0.024	3	108.8427	0.001	3	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.9838	1.864	4	108.9838	3.474	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)2	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.7375	0.005	2	109.7375	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.3915	0.170	2	108.3915	0.029	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.0435	0.021	2	109.0435	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.1080	0.120	2	109.1080	0.014	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.0835	0.071	2	109.0835	0.005	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)2{1|C<3>,1|H<1>,1|I<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.8410	0.021	2	109.2001	0.159	8	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.9528	0.023	4	109.2001	0.159	8	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.0540	0.007	2	109.2001	0.159	8	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.5220	0.000	1	109.2075	0.055	14	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.1184	0.217	10	109.2075	0.055	14	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.3997	0.012	3	109.2075	0.055	14	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4973	0.023	4	109.4973	0.001	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]OO)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)2{1|C<4>,1|O<2>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]OO)(OH)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	111.4160	1.691	2	111.4160	2.861	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.4280	1.400	2	109.4280	1.960	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	110.0900	1.138	2	110.0900	1.296	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	108.7925	1.415	4	108.9780	1.674	5	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.7200	0.000	1	108.9780	1.674	5	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	110.1133	1.400	3	110.1133	1.959	3	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)2	C[6](C[6]C[6]HH)2(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.2101	0.064	7	108.6402	0.108	40	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)2	C[6](C[6]C[6]HH)2(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	108.5193	0.210	33	108.6402	0.108	40	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.1983	0.017	6	109.1983	0.000	6	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)2	C[6](C[6]C[6]HH)2(OP)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(OP)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.1023	0.235	7	109.1023	0.055	7	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)2	C[6](C[6]C[6]HH)2(OSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)2{1|Br<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(OSi)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	107.2600	0.850	2	107.2600	0.722	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4380	0.052	2	109.5412	0.015	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.6445	0.009	2	109.5412	0.015	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	H(C[6]C[6]2H)	109.1462	0.073	5	108.9621	0.102	7	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.5020	0.031	2	108.9621	0.102	7	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2{2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6]2H)	109.2350	0.016	2	109.2350	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HO)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.4953	0.176	7	108.7562	0.150	11	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HO)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|N<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2127	0.019	4	108.7562	0.150	11	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.6400	0.059	4	108.6400	0.004	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	108.6347	3.747	4	108.6347	14.037	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.5290	0.007	2	109.5290	0.000	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.5425	0.039	2	109.5425	0.002	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[5,6]CC)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]CC)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|H<1>,1|N<4>,3|C<4>}	H(C[6]C[6]2H)	108.2797	0.206	3	108.2797	0.042	3	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[5,6]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OS)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OS)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.2370	0.015	4	109.2370	0.000	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.2100	3.452	2	108.2100	11.917	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4145	0.056	2	109.4145	0.003	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.8048	0.175	6	109.8048	0.031	6	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7120	0.020	4	108.7120	0.000	4	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5217	0.050	3	108.6210	0.048	7	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9360	0.025	2	108.6210	0.048	7	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.4550	0.028	2	108.6210	0.048	7	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	108.8400	3.137	2	108.8400	9.839	2	109.2697	0.886	3832	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6,6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]O[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6,6])(H){1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4013	0.091	4	109.4013	0.008	4	109.2029	0.063	8	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]CO)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]CO)(H)2{3|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6]2H)	108.8475	0.013	2	108.8475	0.000	2	109.2029	0.063	8	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O[6]S[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]O[6]H)(C[6]N[6]CH)(H)2{1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O[6]S[6])(H){1|C<3>,1|N<3>,2|C<4>,2|O<1>,5|H<1>}	H(C[6]C[6]2H)	109.1615	0.039	2	109.1615	0.002	2	109.2029	0.063	8	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1891	0.147	14	109.1891	0.022	14	109.1891	0.022	14	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HS)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2115	0.026	2	109.2115	0.001	2	109.3387	0.242	62	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(SC[6a])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HS)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(SC[6a])(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.6775	0.384	2	110.6775	0.147	2	109.3387	0.242	62	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5670	0.035	2	109.5670	0.001	2	109.3387	0.242	62	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(SC[6a])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(SC[6a])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	107.4645	0.822	2	108.2253	1.065	4	109.3387	0.242	62	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(SC[6a])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(SC[6a])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9860	0.451	2	108.2253	1.065	4	109.3387	0.242	62	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(SC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(SC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4025	0.030	2	109.4025	0.001	2	109.3387	0.242	62	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(SC[6a])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(SC[6a])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4330	0.018	2	109.4330	0.000	2	109.3387	0.242	62	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3904	0.222	7	109.3904	0.049	7	109.3387	0.242	62	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(SC[6a])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(SC[6a])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5515	0.005	2	109.5515	0.000	2	109.3387	0.242	62	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(SC[6a])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(SC[6a])(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2840	0.031	2	109.2840	0.001	2	109.3387	0.242	62	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)2(SC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(SC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3936	0.200	16	109.3936	0.040	16	109.3387	0.242	62	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)2(SC[5])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(SC[5])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9723	0.339	4	108.9723	0.115	4	109.3387	0.242	62	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)2(SC[5a])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(SC[5a])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5276	0.140	8	109.5276	0.020	8	109.3387	0.242	62	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)2(SNi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(SNi)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3337	0.119	3	109.3337	0.014	3	109.3387	0.242	62	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(SC[6a])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(SC[6a])(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5740	0.044	2	109.5740	0.002	2	109.3387	0.242	62	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HS)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HS)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2365	0.008	2	109.2365	0.000	2	109.3387	0.242	62	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HS)(H)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a])(H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.0420	0.024	2	109.0420	0.001	2	109.3387	0.242	62	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Se-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]SeH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(SeC[6a])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]SeH)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(SeC[6a])(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3080	0.013	2	109.3080	0.000	2	109.3812	0.017	10	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Se-2:H-1:	C[6]-4:	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SeC[6a])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SeC[6a])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4120	0.055	2	109.4120	0.003	2	109.3812	0.017	10	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Se-2:H-1:	C[6]-4:	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SeC[6a])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SeC[6a])(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3485	0.053	2	109.3485	0.003	2	109.3812	0.017	10	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Se-2:H-1:	C[6]-4:	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(SeC[6a])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(SeC[6a])(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4188	0.207	4	109.4188	0.043	4	109.3812	0.017	10	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)(I)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]HI)(OH)(H)	H(C[6]C[6]2I)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)(I){5|C<4>}	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]HI)(OH)(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2I)	108.6700	0.000	1	108.6700	0.000	1	108.6700	0.000	1	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)(I)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HI)(OH)(H)	H(C[6]C[6]2I)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)(I){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HI)(OH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2I)	107.9970	0.000	1	107.9970	0.000	1	108.0456	0.445	12	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)(I)	C[6](C[6]C[6]HI)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2I)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)(I){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HI)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2I)	107.9485	0.105	2	107.9485	0.011	2	108.0456	0.445	12	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)(I)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(OH)(H)	H(C[6]C[6]2I)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)(I){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HI)(OH)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2I)	109.0990	0.126	2	109.0990	0.016	2	108.0456	0.445	12	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)(I)	C[6](C[6]C[6]HI)(C[6]C[6]HN)(OC)(H)	H(C[6]C[6]2I)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)(I){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HI)(C[6]C[6]HN)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2I)	107.5350	0.000	1	107.5350	0.000	1	108.0456	0.445	12	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(I)	C[6](C[6]C[6]HI)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2I)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(I){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HI)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2I)	109.0670	0.000	1	109.0670	0.000	1	108.0456	0.445	12	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)(I)	C[6](C[6]C[6]HI)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2I)	C[6](C[6]C[6]HO)2(H)(I){1|Br<1>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HI)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2I)	107.6098	0.232	4	107.6098	0.054	4	108.0456	0.445	12	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)(I)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(OC)(H)	H(C[6]C[6]2I)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)(I){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HI)(OC)(H){1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2I)	107.4140	0.000	1	107.4140	0.000	1	108.0456	0.445	12	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.8747	0.745	3	108.8747	0.555	3	108.9196	0.281	18	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)(O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(H)(O){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2O)	108.8792	0.510	12	108.8792	0.260	12	108.9196	0.281	18	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)(O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(H)(O){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2O)	109.7840	0.000	1	109.2975	0.473	2	108.9196	0.281	18	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)(O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(H)(O){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.8110	0.000	1	109.2975	0.473	2	108.9196	0.281	18	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)(O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(H)(O){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.7840	0.000	1	108.7840	0.000	1	108.9196	0.281	18	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(N[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HO)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.5525	0.005	2	109.5525	0.000	2	109.5525	0.000	2	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HN)(C[6]N[6]HH)(OC)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7085	0.032	2	109.7085	0.001	2	110.1988	0.497	6	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	110.4440	0.766	4	110.4440	0.587	4	110.1988	0.497	6	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(S[6]C[6]NO)(H)2	C[6](C[6]C[6]2C)(C[6]S[6]HH)(O[6]C[6])(H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]O[6]H)(S[6]C[6]NO)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6]2C)(C[6]S[6]HH)(O[6]C[6])(H){1|C<4>,1|N<1>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]S[6]H)	109.2900	0.058	2	109.2900	0.003	2	109.2900	0.003	2	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](P[6]C[6a]O[6]O)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]P[6]HH)(OC)(H)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]O[6]O)(C[6]C[5,6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]P[6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	H(C[6]C[6]P[6]H)	109.1420	0.021	2	109.1420	0.000	2	109.1420	0.000	2	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:1:	4:	P[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6]P[6]HO)(H)2	C[6](P[6]C[6a]2C[6])(C[6]P[6]HH)(OH)(H)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]2C[6])(C[6]P[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6](P[6]C[6a]2C[6])(C[6]P[6]HH)(OH)(H){1|C<4>,2|H<1>,6|C<3>}	H(C[6]C[6]P[6]H)	108.9690	0.031	2	108.9690	0.001	2	108.9690	0.001	2	109.1535	0.957	8238	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CN)(OC)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CN)(OC){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.7430	0.023	2	108.7430	0.001	2	108.7430	0.001	2	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]OO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(OH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]OO)(H)2{1|O<1>,4|H<1>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(OH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.6342	0.058	4	108.6342	0.003	4	108.6342	0.003	4	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5]-4:O[6]-2:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]O[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[5]C[5]2H)(O[6]C[6])(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]O[6]O)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[5]C[5]2H)(O[6]C[6])(OH){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1845	0.005	2	109.1845	0.000	2	109.1845	0.000	2	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC)(OH){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9483	0.246	4	108.9483	0.061	4	108.9483	0.061	4	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]OO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OC)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]OO)(H)2{1|H<1>,5|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OC)2{2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.5070	0.007	2	109.5070	0.000	2	109.5070	0.000	2	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:O[6]-2:O-2:	C[6]-4:	C[6](C[6]C[3]O[6]O)(C[6]C[5,6]CO)(H)2	C[6](C[3]C[3]2H)(C[6]C[6]HH)(O[6]O[6])(OH)	H(C[6]C[6]2H)	C[6](C[6]C[3]O[6]O)(C[6]C[5,6]CO)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[6](C[3]C[3]2H)(C[6]C[6]HH)(O[6]O[6])(OH){1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9890	0.000	1	108.9890	0.000	1	108.9890	0.000	1	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-2:C-2:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.6445	0.036	2	109.6445	0.001	2	109.6445	0.001	2	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6]C[5,6]N[5a]H)(C[6]C[5,6]OO)(H)2	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OH)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]N[5a]H)(C[6]C[5,6]OO)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OH)2{1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	109.8960	0.000	1	109.8960	0.000	1	109.8960	0.000	1	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:O[6]-2:O-2:	C[6]-4:	C[6](C[6]C[5]O[6]O)(C[6]C[6]HO)(H)2	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)(O[6]C[6])(OC)	H(C[6]C[6]2H)	C[6](C[6]C[5]O[6]O)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)(O[6]C[6])(OC){1|C<3>,1|O<2>,1|S<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3995	0.013	4	109.3995	0.000	4	109.3995	0.000	4	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]C[6a]2)(C[6]C[6]HH)(CN)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2{4|C<3>}	C[6](C[6]C[6,6a]C[6a]2)(C[6]C[6]HH)(CN)2{2|H<1>,6|C<3>}	H(C[6]C[6]2H)	107.2370	1.038	2	107.2370	1.078	2	108.7889	1.308	7	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3210	0.011	2	109.3210	0.000	2	108.7889	1.308	7	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CN)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CN)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4687	0.033	3	109.4687	0.001	3	108.7889	1.308	7	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-2:N-2:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC)(NC)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC)(NC){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1059	0.148	7	109.1059	0.022	7	108.9832	1.348	19	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-2:N-2:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CN)(NC)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CN)(NC){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1525	0.055	4	109.1525	0.003	4	108.9832	1.348	19	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-2:N-2:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CN)(NN)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CN)(NN){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7911	1.836	8	108.7911	3.372	8	108.9832	1.348	19	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CN)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CN)(OC){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3435	0.005	2	109.3435	0.000	2	108.8562	0.725	146	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC)(OH){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2353	0.036	4	109.2353	0.001	4	108.8562	0.725	146	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC)(OH){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.5940	0.752	2	108.5940	0.566	2	108.8562	0.725	146	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CN)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CN)(OH){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3843	0.055	4	109.3843	0.003	4	108.8562	0.725	146	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CC)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CC)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2405	0.103	8	109.2405	0.011	8	108.8562	0.725	146	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2515	0.263	4	109.0664	0.069	8	108.8562	0.725	146	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8812	0.036	4	109.0664	0.069	8	108.8562	0.725	146	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8740	0.080	6	108.8740	0.006	6	108.8562	0.725	146	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CN)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CN)(OC){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	106.9505	1.039	2	106.9505	1.079	2	108.8562	0.725	146	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(CC)(OC){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.0412	1.954	4	108.0412	3.819	4	108.8562	0.725	146	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(CC)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7994	0.875	88	108.8277	0.747	104	108.8562	0.725	146	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(CC)(OH){1|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.5505	1.684	4	108.8277	0.747	104	108.8562	0.725	146	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1282	0.173	12	108.8277	0.747	104	108.8562	0.725	146	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC)(OH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4000	0.013	2	109.4000	0.000	2	108.8562	0.725	146	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]NO)(H)2	C[6](C[6]C[6]HH)2(NO)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]NO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NO)(OC){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4185	0.016	2	109.4185	0.000	2	109.4185	0.000	2	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:C-2:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CO)(H)2	C[6](C[6]C[6]HH)2(OSi)(CN)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CO)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(OSi)(CN){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9265	0.039	2	108.9265	0.002	2	108.9265	0.002	2	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]OO)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]OO)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3185	0.018	2	109.3185	0.000	2	109.0849	0.596	99	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]OO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]OO)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.8405	0.042	2	108.8405	0.002	2	109.0849	0.596	99	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]OO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OO)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]OO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OO)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.2565	1.788	10	108.2565	3.198	10	109.0849	0.596	99	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(OH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5490	0.021	2	109.5490	0.000	2	109.0849	0.596	99	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1610	0.034	2	109.1610	0.001	2	109.0849	0.596	99	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2	C[6](C[6]C[6]HH)2(OC)(OO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(OC)(OO){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3780	0.063	3	109.3780	0.004	3	109.0849	0.596	99	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2	C[6](C[6]C[6]HH)2(OC)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(OC)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1160	0.219	11	109.1160	0.048	11	109.0849	0.596	99	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2	C[6](C[6]C[6]HH)2(OC[6a])2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(OC[6a])2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2828	0.106	4	109.2828	0.011	4	109.0849	0.596	99	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2	C[6](C[6]C[6]HH)2(OO)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)2(OO)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	107.9753	1.402	4	109.1246	0.454	29	109.0849	0.596	99	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2	C[6](C[6]C[6]HH)2(OO)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(OO)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3125	0.178	22	109.1246	0.454	29	109.0849	0.596	99	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2	C[6](C[6]C[6]HH)2(OO)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(OO)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2793	0.114	3	109.1246	0.454	29	109.0849	0.596	99	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2	C[6](C[6]C[6]HH)2(OSi)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(OSi)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2399	0.117	7	109.2399	0.014	7	109.0849	0.596	99	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6]C[6]OO)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(OC)2	H(C[6]C[6]2H)	C[6](C[6]C[6]OO)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(OC)2{1|N<3>,4|H<1>}	H(C[6]C[6]2H)	108.5745	0.510	4	108.5745	0.260	4	109.0849	0.596	99	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6]C[6]OO)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(OC[5])(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6]OO)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(OC[5])(OC){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.2160	0.174	4	109.2160	0.030	4	109.0849	0.596	99	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6]C[6]OO)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)2(OC)2	H(C[6]C[6]2H)	C[6](C[6]C[6]OO)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(OC)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7611	0.687	7	109.7611	0.473	7	109.0849	0.596	99	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6]C[6]OO)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)2(OC)2	H(C[6]C[6]2H)	C[6](C[6]C[6]OO)(C[6]S[6]HH)(H)2{1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(OC)2{1|S<4>,4|H<1>}	H(C[6]C[6]2H)	109.0020	0.055	4	109.0020	0.003	4	109.0849	0.596	99	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]OO)(H)2	C[6](C[6]C[6]HH)2(OC)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]OO)(H)2{1|Cu<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(OC)2{1|N<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0970	0.112	8	109.0970	0.013	8	109.0849	0.596	99	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-2:S-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]SS)(H)2	C[6](C[6]C[6]HH)2(SS)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]SS)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(SS)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1363	0.036	4	109.1363	0.001	4	109.1363	0.001	4	108.9662	0.678	301	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6]C[4]O[6]C)(C[6]C[6,6]CH)(H)2	C[6](C[4]C[4]2H)(C[6]C[6]HH)(O[6]C[6,6])(CCHH)	H(C[6]C[6]2H)	C[6](C[6]C[4]O[6]C)(C[6]C[6,6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[4]C[4]2H)(C[6]C[6]HH)(O[6]C[6,6])(CCHH){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.2466	0.146	8	108.2198	0.020	10	108.2198	0.020	10	108.7713	0.218	29	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6]C[4]O[6]C)(C[6]C[6,6]CH)(H)2	C[6](C[4]C[4]2H)(C[6]C[6]HH)(O[6]C[6,6])(CCHH)	H(C[6]C[6]2H)	C[6](C[6]C[4]O[6]C)(C[6]C[6,6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[4]C[4]2H)(C[6]C[6]HH)(O[6]C[6,6])(CCHH){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.1125	0.009	2	108.2198	0.020	10	108.2198	0.020	10	108.7713	0.218	29	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:S-2:C-4:	C[6]-4:	C[6](C[6]C[5,6]CS)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[6]O[5]2)(C[6]C[6]HH)(SC[6a])(CCHH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CS)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|O<2>}	C[6](C[5,6]N[6]O[5]2)(C[6]C[6]HH)(SC[6a])(CCHH){2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.5935	0.015	2	108.5935	0.000	2	108.5935	0.000	2	108.7713	0.218	29	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6]C[5]O[6]C)(C[6]C[6]HH)(H)2	C[6](C[5]C[5]2H)(C[6]C[6]HH)(O[6]C[6])(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[5]O[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6](C[5]C[5]2H)(C[6]C[6]HH)(O[6]C[6])(CH3){5|H<1>,6|C<4>}	H(C[6]C[6]2H)	108.8435	0.011	2	108.8435	0.000	2	108.8435	0.000	2	108.7713	0.218	29	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC[6])(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC[6])(CH3){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1779	0.272	9	109.1779	0.074	9	109.1531	0.044	15	108.7713	0.218	29	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:C-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(CH3){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0600	0.044	2	109.0600	0.002	2	109.1531	0.044	15	108.7713	0.218	29	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:C-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(CH3){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1395	0.035	2	109.1395	0.001	2	109.1531	0.044	15	108.7713	0.218	29	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:2:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:C-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(OC[6a])(CCCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(OC[6a])(CCCH){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.1480	0.006	2	109.1480	0.000	2	109.1531	0.044	15	108.7713	0.218	29	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:	C[6](B[6]C[6a]2O[6])(C[6]C[5]C[6]H)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]HH)(C[5]C[5]2)(H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2O[6])(C[6]C[5]C[6]H)(H)2{2|C<4>,2|H<1>,5|C<3>}	C[6](C[6]B[6]HH)(C[6]C[6]HH)(C[5]C[5]2)(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]B[6]C[6]H)	109.5570	0.018	2	109.5570	0.000	2	109.5570	0.000	2	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CCC)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CH)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CCC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[3,6]C[6]H)	108.9680	0.277	2	108.9706	0.028	5	108.9706	0.028	5	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CCC)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CH)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CCC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[3,6]C[6]H)	108.9723	0.136	3	108.9706	0.028	5	108.9706	0.028	5	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]N[6]H)(H)2	C[6](C[6]C[3,6]C[6]H)(C[6]C[3,6]HH)(N[6]C[6]S)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]N[6]H)(H)2{1|S<4>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[3,6]C[6]H)(C[6]C[3,6]HH)(N[6]C[6]S)(H){1|N<3>,2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[3,6]C[6]H)	109.3280	0.078	2	109.3280	0.006	2	109.3280	0.006	2	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]O[6,6]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]O[6,6]O)(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[3x6]C[6]H)	109.3519	0.110	15	109.3519	0.012	15	109.3519	0.012	15	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]CH)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[6]CC)(CCC)(H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]CH)(H)2{1|H<1>,2|O<1>,6|C<4>}	C[6](C[6]C[4x6]HH)(C[6]C[6]CC)(CCC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[4x6]C[6]H)	109.1773	0.185	4	109.1773	0.034	4	109.1773	0.034	4	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,5,6]C[6]H)	108.6287	0.082	3	108.6287	0.007	3	108.6287	0.007	3	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]C[6,6]HN)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6,6]HH)(NCC)(H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]C[6,6]HN)(H)2{1|H<1>,1|N<2>,3|C<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6,6]HH)(NCC)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[5,6,6]C[6]H)	108.5407	0.228	3	108.5407	0.052	3	108.5407	0.052	3	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,5,6,6]CC)(C[6]C[5,6,6]HH)(CC[6]C)(H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,5|C<4>}	C[6](C[6]C[5,5,6,6]CC)(C[6]C[5,6,6]HH)(CC[6]C)(H){2|C<4>,3|C<3>}	H(C[6]C[5,6,6]C[6]H)	109.2070	0.000	1	109.2070	0.000	1	109.5292	0.364	17	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5]C[6,6]O[5,6])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5]C[6,6]O[5,6])(C[6]C[6]CH)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCC)(H){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.0675	0.040	8	109.0675	0.002	8	109.5292	0.364	17	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]2O[5,6])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]2O[5,6])(C[6]C[6]CH)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCC)(H){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6,6]C[6]H)	110.5235	0.115	4	110.5235	0.013	4	109.5292	0.364	17	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6,6]C[6]H)	109.5390	0.044	4	109.5390	0.002	4	109.5292	0.364	17	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HN)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(NCC)(H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HN)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(NCC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[5,6,6]C[6]H)	107.6595	5.139	2	107.6595	26.405	2	107.6595	26.405	2	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HN)(Br)(H)	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]HH)(NCH)(H)	H(C[6]C[5,6]C[6]Br)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HN)(Br)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]HH)(NCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]Br)	109.2470	0.000	1	109.2470	0.000	1	109.2470	0.000	1	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[4,6]C[6a]H)(H)2	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[4,6]C[6a]H)(H)2{1|C<4>,3|H<1>,7|C<3>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	H(C[6]C[5,6]C[6]H)	110.0220	0.113	2	110.0220	0.013	2	110.0220	0.013	2	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(COO)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]CH)(H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(COO)(H){1|N<3>,2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[5,6]C[6]H)	109.0765	0.045	2	108.5971	0.351	14	108.5971	0.351	14	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(COO)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]CH)(H)2{1|C<3>,1|N<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(COO)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.7045	0.008	2	108.5971	0.351	14	108.5971	0.351	14	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(COO)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]CH)(H)2{1|C<3>,1|N<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(COO)(H){1|N<3>,2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	108.6285	0.236	4	108.5971	0.351	14	108.5971	0.351	14	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(COO)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]CH)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(COO)(H){1|N<3>,2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[5,6]C[6]H)	108.0403	0.863	4	108.5971	0.351	14	108.5971	0.351	14	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(COO)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]CH)(H)2{1|N<3>,4|H<1>,5|C<4>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(COO)(H){1|N<3>,2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.0610	0.006	2	108.5971	0.351	14	108.5971	0.351	14	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[5,6]C[6a]H)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[5,6]C[6a]H)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,3|C<4>,9|H<1>}	H(C[6]C[5,6]C[6]H)	109.5995	0.016	2	109.5995	0.000	2	109.5995	0.000	2	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[5]N[6]H)(H)2	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]HH)(N[6]C[6]C)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[5]N[6]H)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]HH)(N[6]C[6]C)(H){2|C<4>,3|O<2>,4|H<1>}	H(C[6]C[5,6]C[6]H)	108.6050	0.105	3	108.6050	0.011	3	108.6050	0.011	3	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(CC[6a]FeN)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(CC[6a]FeN)(C[6]C[6]H)(H){1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	111.6197	0.262	3	111.6197	0.069	3	111.6197	0.069	3	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[3,6]C[5]2)(C[6]C[6]CH)(H)2	C[6](C[6]C[3,6]C[6a]H)(C[6]C[5,6]HH)(COO)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,6]C[5]2)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[3,6]C[6a]H)(C[6]C[5,6]HH)(COO)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.3470	0.057	2	109.3470	0.003	2	109.3159	0.252	34	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.1580	0.072	4	109.1580	0.005	4	109.3159	0.252	34	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(COO)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.9330	0.037	4	108.9330	0.001	4	109.3159	0.252	34	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)2(CCH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2{1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6]C[5,6]HH)2(CCH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5,6]C[6]H)	109.2645	0.032	2	109.2645	0.001	2	109.3159	0.252	34	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)2(CC[6a]O)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)2(CC[6a]O)(H){1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.0485	0.016	2	109.0485	0.000	2	109.3159	0.252	34	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CHO)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CHO)(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	108.8530	0.156	4	108.8530	0.024	4	109.3159	0.252	34	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)2(CC[6a]O)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)2(CC[6a]O)(H){1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.6630	0.013	2	109.6630	0.000	2	109.3159	0.252	34	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)2(CCH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)2(CCH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5,6]C[6]H)	109.2030	0.008	2	109.2030	0.000	2	109.3159	0.252	34	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.4680	0.034	2	110.3788	0.007	5	109.3159	0.252	34	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]CH)(H)2{1|O<2>,1|P<4>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.3193	0.024	3	110.3788	0.007	5	109.3159	0.252	34	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[5,6]HH)(CC[6a]O)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[5,6]HH)(CC[6a]O)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	108.8170	0.031	2	108.8170	0.001	2	109.3159	0.252	34	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CNO)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CNO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.2993	0.141	4	109.2993	0.020	4	109.3159	0.252	34	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[5,6]C[6]H)	109.1880	0.000	1	109.1880	0.000	1	109.3159	0.252	34	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[5,6]C[3,5,6]N[5]O)(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[3,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5,6]N[5]O)(C[6]C[6a]C[6]H)(H)2{1|H<1>,1|O<2>,3|C<3>,4|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.9280	1.076	2	109.9280	1.158	2	109.4629	0.103	22	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.8360	0.042	2	109.8360	0.002	2	109.4629	0.103	22	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[5,6,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]C[6]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.3905	0.011	2	109.3905	0.000	2	109.4629	0.103	22	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(H)2{3|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.4150	0.027	2	109.4150	0.001	2	109.4629	0.103	22	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[6a]C[5])(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[5,6]HH)2(C[6a]C[6a]2)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[6a]C[5])(C[6]C[6a]C[6]H)(H)2{1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]HH)2(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[5,6]C[6]H)	109.3783	0.028	3	109.3783	0.001	3	109.4629	0.103	22	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[6a]N[5])(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[5,6]HH)2(C[6a]C[6a]2)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[6a]N[5])(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6]C[5,6]HH)2(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[5,6]C[6]H)	109.2820	0.086	4	109.2820	0.007	4	109.4629	0.103	22	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]N[5]H)(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]N[5]H)(C[6]C[6a]C[6]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|N<3>,2|O<2>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.3447	0.103	3	109.3447	0.011	3	109.4629	0.103	22	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[5,6]HH)2(C[6a]C[6a]2)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)2(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,3|H<1>,3|O<2>}	H(C[6]C[5,6]C[6]H)	109.3595	0.008	2	109.3595	0.000	2	109.4629	0.103	22	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[5,6]HH)2(C[6a]C[6a]2)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)2(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,3|H<1>,3|O<2>}	H(C[6]C[5,6]C[6]H)	109.5140	0.027	2	109.5140	0.001	2	109.4629	0.103	22	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HN)(H)2	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]HH)(NCH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HN)(H)2{1|Br<1>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]HH)(NCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	106.2370	2.182	2	106.2370	4.762	2	108.6558	2.063	11	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HN)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NC[6a]C)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HN)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NC[6a]C)(H){2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.5380	0.413	2	108.5380	0.171	2	108.6558	2.063	11	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HN)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(NOO)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HN)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(NOO)(H){1|H<1>,5|C<3>}	H(C[6]C[5,6]C[6]H)	109.1095	0.025	2	109.1095	0.001	2	108.6558	2.063	11	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HN)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.4230	0.000	1	109.4230	0.000	1	108.6558	2.063	11	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HN)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NHS)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NHS)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3650	0.038	2	109.3650	0.001	2	108.6558	2.063	11	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HN)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCH)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.6460	0.023	2	109.6460	0.001	2	108.6558	2.063	11	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[5,6]N[5,5,6]C[5,5]H)(C[6]C[6a]C[6]H)(H)(I)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(C[6a]C[6a]2)(H)	H(C[6]C[5,6]C[6]I)	C[6](C[5,6]N[5,5,6]C[5,5]H)(C[6]C[6a]C[6]H)(H)(I){2|H<1>,3|C<3>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]I)	109.1660	0.000	1	109.1660	0.000	1	109.1660	0.000	1	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[3,6]HN)(H)2	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(NCH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[3,6]HN)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.5955	0.012	2	109.5955	0.000	2	109.5955	0.000	2	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]CH)(H)2	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(CHO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]CH)(H)2{3|C<3>,4|C<4>}	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(CHO)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.7558	0.026	4	109.7558	0.001	4	109.7558	0.001	4	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[5,6]C[6a]H)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[5,6]C[6a]H)(H)2{3|C<4>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|N<3>,3|C<3>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.8490	0.789	2	108.8490	0.623	2	108.8490	0.623	2	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HN)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(NCH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HN)(H)2{1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(NCH)(H){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.3860	0.053	4	108.3860	0.003	4	108.3860	0.003	4	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(CCO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(CCO)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0010	0.093	2	109.0010	0.009	2	109.0010	0.009	2	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HN)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(NCH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HN)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(NCH)(H){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8370	0.006	2	108.8370	0.000	2	108.6290	0.026	6	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HN)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(NCH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HN)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(NCH)(H){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.5250	0.006	4	108.5250	0.000	4	108.6290	0.026	6	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.0365	2.068	2	108.0365	4.278	2	109.1361	0.448	166	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCC)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.9435	0.029	2	109.9435	0.001	2	109.1361	0.448	166	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.4235	0.066	2	109.4235	0.004	2	109.1361	0.448	166	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(COO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(COO)(H){1|C<3>,1|N<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.7318	0.086	4	109.7318	0.007	4	109.1361	0.448	166	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.4515	0.023	2	109.3682	0.005	6	109.1361	0.448	166	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6,6]C[6]H)	109.3265	0.037	4	109.3682	0.005	6	109.1361	0.448	166	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CC[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CC[6]C)(H){1|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	110.7940	1.465	4	110.7940	2.147	4	109.1361	0.448	166	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(COO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(COO)(H){2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	107.0110	0.901	2	107.0110	0.812	2	109.1361	0.448	166	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.3270	0.000	1	108.6785	0.247	2	109.1361	0.448	166	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0300	0.000	1	108.6785	0.247	2	109.1361	0.448	166	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)2(CC[6a]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,6|H<1>}	C[6](C[6]C[6,6]HH)2(CC[6a]O)(H){2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8312	0.675	4	108.8312	0.456	4	109.1361	0.448	166	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)2(COO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[6]C[6,6]HH)2(COO)(H){2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.0375	0.019	2	108.3674	0.459	12	109.1361	0.448	166	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)2(COO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6]C[6,6]HH)2(COO)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.3565	0.375	6	108.3674	0.459	12	109.1361	0.448	166	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)2(COO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6]C[6,6]HH)2(COO)(H){2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	107.6665	0.941	2	108.3674	0.459	12	109.1361	0.448	166	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)2(COO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(COO)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.4310	0.024	2	108.3674	0.459	12	109.1361	0.448	166	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(CHO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(CHO)(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.7440	0.013	2	108.7440	0.000	2	109.1361	0.448	166	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCO)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7265	0.018	2	108.7265	0.000	2	109.1361	0.448	166	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8120	0.020	2	109.1670	0.305	12	109.1361	0.448	166	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4988	0.079	4	109.1670	0.305	12	109.1361	0.448	166	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.2075	0.337	2	109.1670	0.305	12	109.1361	0.448	166	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4925	0.298	4	109.1670	0.305	12	109.1361	0.448	166	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCH)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8470	0.018	2	108.8470	0.000	2	109.1361	0.448	166	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCO)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3834	0.105	8	109.4757	0.046	10	109.1361	0.448	166	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCO)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.8450	0.013	2	109.4757	0.046	10	109.1361	0.448	166	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7800	0.011	2	109.1617	0.081	7	109.1361	0.448	166	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3144	0.139	5	109.1617	0.081	7	109.1361	0.448	166	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(CCH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(CCH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.8435	0.043	2	109.8435	0.002	2	109.1361	0.448	166	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)2(CCN)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)2(CCN)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8221	0.123	16	108.8221	0.015	16	109.1361	0.448	166	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)2(CHH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)2(CHH)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.8713	0.137	4	109.8713	0.019	4	109.1361	0.448	166	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)2(COO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[6,6]HH)2(COO)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.8055	0.390	6	109.0404	0.133	19	109.1361	0.448	166	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)2(COO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(COO)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2562	0.021	4	109.0404	0.133	19	109.1361	0.448	166	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)2(COO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(COO)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.5965	0.033	2	109.0404	0.133	19	109.1361	0.448	166	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)2(COO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)2(COO)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9596	0.272	7	109.0404	0.133	19	109.1361	0.448	166	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(COO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(COO)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.1615	0.011	2	109.1615	0.000	2	109.1361	0.448	166	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.3098	0.099	5	109.2721	0.009	9	109.1361	0.448	166	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2875	0.028	2	109.2721	0.009	9	109.1361	0.448	166	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1625	0.015	2	109.2721	0.009	9	109.1361	0.448	166	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2{3|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1970	0.023	2	109.1970	0.001	2	109.1361	0.448	166	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1717	0.189	10	109.1717	0.036	10	109.1361	0.448	166	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	110.0150	1.684	2	109.4917	1.312	4	109.1361	0.448	166	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9685	0.066	2	109.4917	1.312	4	109.1361	0.448	166	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0930	0.000	1	109.0930	0.000	1	109.1361	0.448	166	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)2(COO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)2(COO)(H){1|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.2634	0.376	22	109.2634	0.142	22	109.1361	0.448	166	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){1|Cl<1>,2|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.7993	0.565	4	108.6563	0.080	60	108.6563	0.080	60	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.7895	0.377	4	108.6563	0.080	60	108.6563	0.080	60	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){2|C<3>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.6638	0.522	10	108.6563	0.080	60	108.6563	0.080	60	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){1|C<3>,2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.6433	0.130	27	108.6563	0.080	60	108.6563	0.080	60	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){2|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.6012	0.129	15	108.6563	0.080	60	108.6563	0.080	60	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6]HH)2(C[6]C[6]2)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)2(C[6]C[6]2)(H){2|H<1>,3|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.7520	0.014	2	108.7520	0.000	2	108.7458	0.009	6	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6]HH)2(C[6]C[6]O[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)2(C[6]C[6]O[6])(H){1|B<4>,1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.7428	0.120	4	108.7428	0.015	4	108.7458	0.009	6	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[6,6]HH)2(C[6a]C[6a]2)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]HH)2(C[6a]C[6a]2)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.6675	0.026	2	109.0433	0.069	7	108.9943	0.124	18	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[6,6]HH)2(C[6a]C[6a]2)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|C<3>,6|H<1>}	C[6](C[6]C[6,6]HH)2(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1477	0.037	3	109.0433	0.069	7	108.9943	0.124	18	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[6,6]HH)2(C[6a]C[6a]2)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)2(C[6a]C[6a]2)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2625	0.042	2	109.0433	0.069	7	108.9943	0.124	18	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[6,6]HH)2(C[6a]C[6a]2)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)2(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2017	0.017	3	109.2017	0.000	3	108.9943	0.124	18	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[6,6]HH)2(C[6a]C[6a]2)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)2(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.4210	0.000	1	108.8736	0.205	8	108.9943	0.124	18	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[6,6]HH)2(C[6a]C[6a]2)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.6814	0.108	5	108.8736	0.205	8	108.9943	0.124	18	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[6,6]HH)2(C[6a]C[6a]2)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)2(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5805	0.005	2	108.8736	0.205	8	108.9943	0.124	18	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(NCH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>,3|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(NCH)(H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.1905	0.071	2	109.1905	0.005	2	109.1798	0.308	73	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(NCO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(NCO)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.4807	0.047	3	109.4807	0.002	3	109.1798	0.308	73	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5487	0.073	4	109.4712	0.034	5	109.1798	0.308	73	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1610	0.000	1	109.4712	0.034	5	109.1798	0.308	73	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC[6a]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC[6a]H)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2305	0.021	2	109.2305	0.000	2	109.1798	0.308	73	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]OO)(NCC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6]OO)(NCC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.7935	0.009	2	108.7935	0.000	2	109.1798	0.308	73	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6]HH)2(NCC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)2(NCC)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6937	0.122	7	108.6937	0.015	7	109.1798	0.308	73	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6]HH)2(NCH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)2(NCH)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8515	0.090	8	108.8515	0.008	8	109.1798	0.308	73	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6]HH)2(NC[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)2(NC[6]C)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8385	0.878	4	108.8385	0.770	4	109.1798	0.308	73	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(NOO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(NOO)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	110.6645	0.962	4	110.5198	0.655	6	109.1798	0.308	73	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(NOO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(NOO)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	110.2305	0.499	2	110.5198	0.655	6	109.1798	0.308	73	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCS)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HN)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCS)(H){1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0895	0.054	2	109.0983	0.002	4	109.1798	0.308	73	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCS)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HN)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCS)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1070	0.049	2	109.0983	0.002	4	109.1798	0.308	73	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6]HH)2(NCH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HN)(H)2{1|O<1>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)2(NCH)(H){1|N<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0077	0.035	3	109.0077	0.001	3	109.1798	0.308	73	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6]HH)2(NCH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HN)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(NCH)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1593	0.226	23	109.1237	0.051	27	109.1798	0.308	73	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6]HH)2(NCH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HN)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)2(NCH)(H){1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9187	0.053	4	109.1237	0.051	27	109.1798	0.308	73	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N[5]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(N[5]C[5]2)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N[5]H)(H)2{2|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(N[5]C[5]2)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0713	0.045	3	109.0713	0.002	3	109.0713	0.002	3	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]CH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(CNO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]CH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(CNO)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9765	0.083	4	108.9765	0.007	4	108.9765	0.007	4	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]2)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]2)(H)2{1|H<1>,4|C<3>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,2|O<2>,3|H<1>,5|C<3>}	H(C[6]C[5,6]C[6]H)	109.3312	0.129	4	109.1279	0.046	10	109.1279	0.046	10	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]2)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]2)(H)2{2|H<1>,3|C<4>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,2|O<2>,3|H<1>,5|C<3>}	H(C[6]C[5,6]C[6]H)	108.9923	0.130	6	109.1279	0.046	10	109.1279	0.046	10	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[5,6]C[6]O[5]2)(H)2	C[6](C[6]C[5,6]HH)(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[6]C[6,6]C[6a]H)(C[5,6]C[6]O[5]2)(H)2{2|H<1>,3|C<4>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6,6]C[6]3)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,3|C<3>,3|H<1>,4|O<2>}	H(C[6]C[5,6]C[6]H)	109.0653	0.100	3	109.0653	0.010	3	109.0653	0.010	3	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]CO)(Br)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]BrH)(C[6a]C[6a]2)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]CO)(Br)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]BrH)(C[6a]C[6a]2)(H){2|O<2>,5|C<3>,5|H<1>}	H(C[6]C[6]2Br)	108.5445	0.070	2	108.5445	0.005	2	108.5445	0.005	2	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]HH)(Br)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(C[6a]C[6a]2)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]HH)(Br)(H){1|C<4>,1|S<4>,4|C<3>}	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(C[6a]C[6a]2)(H){1|N<3>,4|C<3>,8|H<1>}	H(C[6]C[6]2Br)	108.8610	0.000	2	108.8610	0.000	2	108.8610	0.000	2	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]2H)(Br)(H)	C[6](C[6]C[6,6a]2C)(C[6]C[6]BrH)(C[6]C[6]H)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6]BrH)(C[6]C[6]2H)(Br)(H){1|Br<1>,1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]2C)(C[6]C[6]BrH)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2Br)	107.8340	0.000	1	107.8340	0.000	1	107.8340	0.000	1	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(Br)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2Br)	108.2310	0.000	1	108.2310	0.000	1	108.5420	0.193	2	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NHS)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(Br)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NHS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2Br)	108.8530	0.000	1	108.8530	0.000	1	108.5420	0.193	2	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(Cl)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]ClH)(CCO)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(Cl)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]ClH)(CCO)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2Cl)	109.0430	0.000	1	108.9850	0.007	2	108.9850	0.007	2	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(Cl)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]ClH)(CCO)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(Cl)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]ClH)(CCO)(H){3|C<4>,5|H<1>}	H(C[6]C[6]2Cl)	108.9270	0.000	1	108.9850	0.007	2	108.9850	0.007	2	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(CCO)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(Cl)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(CCO)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2Cl)	108.8093	0.137	3	108.8093	0.019	3	108.8093	0.019	3	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]CO)(CCO)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(Cl)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]CO)(CCO)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2Cl)	109.4035	0.039	2	109.4035	0.002	2	109.4035	0.002	2	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(NHS)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(Cl)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(NHS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2Cl)	108.1060	0.000	1	108.1060	0.000	1	108.1060	0.000	1	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(NHS)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(F)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(NHS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2F)	109.6695	1.358	2	109.6695	1.845	2	109.6695	1.845	2	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](CC[5a]C[6a]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](CC[5a]C[6a]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2220	0.000	1	109.2220	0.000	1	109.2174	0.026	5	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](CC[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](CC[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3725	0.036	2	109.3725	0.001	2	109.2174	0.026	5	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](CC[6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](CC[6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0600	0.079	2	109.0600	0.006	2	109.2174	0.026	5	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[3,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[3,6]C[3,6,6]C[3]C)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[3,6]C[3,6,6]C[3]C)(C[6]C[6]HH)(CCC)(H){2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7780	0.069	2	109.7780	0.005	2	109.7780	0.005	2	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(NHS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(NHS)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7858	0.047	4	109.7858	0.002	4	109.3383	2.020	8	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(NCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(NCC)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8550	2.315	2	109.8550	5.360	2	109.3383	2.020	8	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.9265	1.858	2	107.9265	3.451	2	109.3383	2.020	8	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(COO)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6910	0.035	4	108.6910	0.001	4	108.8318	0.100	5	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]HH)(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]HH)(CCH)(H){1|B<4>,1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6]2H)	109.3950	0.000	1	109.3950	0.000	1	108.8318	0.100	5	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[3x6]N[6]H)(C[6]C[6]HO)(H)2	C[6](C[3x6]C[6,6]3)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]N[6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[3x6]C[6,6]3)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,1|O<2>,4|C<4>,7|H<1>}	H(C[6]C[6]2H)	109.6940	0.000	1	109.6940	0.000	1	109.6940	0.000	1	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[4x6]CH)(C[6]C[6]HH)(H)2	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(CHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4x6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(CHO)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4150	0.017	2	109.4150	0.000	2	109.4150	0.000	2	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,5,6]C[5,5]N[5,6]N[5])(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|N<3>}	C[6](C[5,5,6]C[5,5]N[5,6]N[5])(C[6]C[6]HH)(COO)(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.8475	0.012	2	109.8475	0.000	2	109.8475	0.000	2	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]CH)(H)2{5|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CCC)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1645	0.104	2	109.1645	0.011	2	109.1580	0.172	108	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.0850	0.086	3	108.5481	0.112	14	109.1580	0.172	108	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H){2|C<4>,6|H<1>}	H(C[6]C[6]2H)	108.3912	0.207	9	108.5481	0.112	14	109.1580	0.172	108	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H){2|C<4>,6|H<1>}	H(C[6]C[6]2H)	108.4490	0.008	2	108.5481	0.112	14	109.1580	0.172	108	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{2|C<4>,3|O<2>}	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(COO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4615	0.018	2	109.4615	0.000	2	109.1580	0.172	108	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]O[5,6]O[5]O)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,3|O<2>}	C[6](C[5,6]O[5,6]O[5]O)(C[6]C[6]HH)(COO)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1332	0.120	6	109.1332	0.014	6	109.1580	0.172	108	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HO)(H)2{1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.2960	0.000	1	108.2960	0.000	1	109.1580	0.172	108	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.1425	0.050	2	109.1425	0.003	2	109.1580	0.172	108	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(COO)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3755	0.086	4	109.3755	0.007	4	109.1580	0.172	108	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]BrH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]BrH)(H)2{1|Br<1>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H){1|Br<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8860	0.093	2	108.8860	0.009	2	109.1580	0.172	108	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,5]N[5,6]C)(C[6]C[6]HH)(CN[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|N<3>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,5]N[5,6]C)(C[6]C[6]HH)(CN[6]O)(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.0290	0.064	2	109.0290	0.004	2	109.1580	0.172	108	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6a]N[5,6]C)(C[6]C[6]HH)(CN[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6](C[5,6]C[5,6a]N[5,6]C)(C[6]C[6]HH)(CN[6]O)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.7978	0.049	4	108.7978	0.002	4	109.1580	0.172	108	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(COO)(H){2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5480	0.020	2	109.5480	0.000	2	109.1580	0.172	108	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(CCN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(CCN)(H){2|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.1620	0.027	2	109.1620	0.001	2	109.1580	0.172	108	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(CCH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1595	0.063	2	109.1595	0.004	2	109.1580	0.172	108	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6275	0.012	2	109.6275	0.000	2	109.1580	0.172	108	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2750	0.052	4	109.2750	0.003	4	109.1580	0.172	108	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5675	0.190	4	109.5675	0.036	4	109.1580	0.172	108	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]O)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2370	0.184	5	109.2370	0.034	5	109.1580	0.172	108	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6545	0.098	4	109.6545	0.010	4	109.1580	0.172	108	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]HH)(COS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]HH)(COS)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	110.0558	0.028	4	110.0558	0.001	4	109.1580	0.172	108	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[6]C[6]2H)	109.1665	1.088	2	109.1665	1.184	2	109.1580	0.172	108	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.2500	0.020	2	109.2500	0.000	2	109.1580	0.172	108	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(COO)(H){1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.3610	0.025	3	109.3610	0.001	3	109.1580	0.172	108	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(COO)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2547	0.131	3	109.2547	0.017	3	109.1580	0.172	108	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CCN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CCN)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5100	0.017	2	109.5100	0.000	2	109.1580	0.172	108	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(COO)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1891	0.109	13	109.1891	0.012	13	109.1580	0.172	108	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HS)(H)2	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HS)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]HH)(COO)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.2375	0.011	2	109.2375	0.000	2	109.1580	0.172	108	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]N[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CC[6a]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CC[6a]C)(H){1|C<4>,2|N<3>,2|O<1>,4|H<1>}	H(C[6]C[6]2H)	109.2055	0.360	2	109.2055	0.130	2	109.1580	0.172	108	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)2(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CCH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0015	0.012	2	109.0015	0.000	2	109.1580	0.172	108	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CH)(H)2{1|C<4>,2|N<2>,4|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.1935	0.090	4	109.1935	0.008	4	109.1580	0.172	108	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]C[6]HH)(CC[6a]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[5,6]CH)(H)2{6|C<3>}	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]C[6]HH)(CC[6a]O)(H){1|H<1>,1|O<1>,2|N<3>,4|C<3>}	H(C[6]C[6]2H)	109.2060	0.000	1	109.2060	0.000	1	109.1580	0.172	108	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[5,6]CH)(H)2{1|N<3>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]C[6]HH)(COO)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.1890	0.054	2	109.1890	0.003	2	109.1580	0.172	108	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5,6,6a]O[5]H)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6,6a]O[5]H)(C[6]C[6]HH)(CCC)(H){2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.2215	0.032	2	108.2215	0.001	2	109.1580	0.172	108	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[3,6]CH)(C[6]C[5,6]HN)(H)2	C[6](C[5,6]C[3,5,6]C[5,5,6]H)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]CH)(C[6]C[5,6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[3,5,6]C[5,5,6]H)(C[6]C[6]HH)(NOO)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.2075	0.214	2	109.2075	0.046	2	108.9108	5.106	32	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HN)(H)2	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(NCH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3505	0.059	2	109.3505	0.003	2	108.9108	5.106	32	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HN)(H)2	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(NHS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HN)(H)2{2|Se<2>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(NHS)(H){1|Se<2>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8642	0.135	6	108.8642	0.018	6	108.9108	5.106	32	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]HN)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(NC[6a]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]HN)(H)2{1|C<4>,6|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(NC[6a]H)(H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	H(C[6]C[6]2H)	108.4225	0.013	2	108.4225	0.000	2	108.9108	5.106	32	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(NHS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2{1|C<4>,2|H<1>,2|S<2>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(NHS)(H){1|C<4>,1|O<2>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	108.9710	0.006	2	108.9710	0.000	2	108.9108	5.106	32	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(NHS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2{2|Se<2>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(NHS)(H){1|Se<2>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.1240	0.028	2	109.0270	0.013	4	108.9108	5.106	32	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(NHS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2{2|Se<2>,3|C<4>}	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(NHS)(H){1|Se<2>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.9300	0.013	2	109.0270	0.013	4	108.9108	5.106	32	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(NHS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2{2|Se<2>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(NHS)(H){1|Se<2>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.9615	0.063	2	108.9615	0.004	2	108.9108	5.106	32	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[6]CC)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(NCS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6]C[6]CC)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(NCS)(H){2|H<1>,6|C<4>}	H(C[6]C[6]2H)	111.5350	5.685	2	111.5350	32.321	2	108.9108	5.106	32	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(NOO)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1810	0.045	2	109.1810	0.002	2	108.9108	5.106	32	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6]C[6]CH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(NCH)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	104.1869	8.048	2	104.1869	64.776	2	108.9108	5.106	32	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(NCS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(NCS)(H){1|C<3>,2|C<4>,8|H<1>}	H(C[6]C[6]2H)	109.4477	0.054	4	109.4477	0.003	4	108.9108	5.106	32	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(NHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(NHO)(H){2|H<1>,6|C<3>}	H(C[6]C[6]2H)	109.2150	0.014	2	109.2150	0.000	2	108.9108	5.106	32	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.8827	0.476	9	108.8827	0.227	9	108.8827	0.227	9	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|B<3>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.5285	1.201	2	109.5285	1.443	2	109.2142	0.593	34	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.0220	0.000	1	109.0220	0.000	1	109.2142	0.593	34	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]HH)(C[6]C[6]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]HH)(C[6]C[6]2)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	107.2140	1.940	2	107.2140	3.765	2	109.2142	0.593	34	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1833	0.027	3	109.1833	0.001	3	109.2142	0.593	34	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5,6a]C[6a]O[5])(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5]C[5,6a]C[6a]O[5])(C[6]C[6]HH)(C[6]C[6]C)(H){2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.8805	0.060	2	109.8805	0.004	2	109.2142	0.593	34	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4333	0.072	4	109.4333	0.005	4	109.2142	0.593	34	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(C[6]O[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2357	0.082	4	109.2357	0.007	4	109.2142	0.593	34	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5310	0.008	2	109.2560	0.072	5	109.2142	0.593	34	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<3>,3|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.0727	0.135	3	109.2560	0.072	5	109.2142	0.593	34	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,4|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2580	0.072	2	109.2580	0.005	2	109.2142	0.593	34	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[6a]C[5]N[5])(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5]C[6a]C[5]N[5])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.1368	0.175	5	109.1368	0.031	5	109.2142	0.593	34	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[6a]C[5]O[5])(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5]C[6a]C[5]O[5])(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2470	1.805	2	109.2470	3.256	2	109.2142	0.593	34	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]O[6]CH)(H)2	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]O[6]CH)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.9080	0.563	2	109.9080	0.317	2	109.2142	0.593	34	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:B[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]B[5]H)(C[6]C[6,6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(B[5]O[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]B[5]H)(C[6]C[6,6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(B[5]O[5]2)(H){2|H<1>,8|C<4>}	H(C[6]C[6]2H)	108.7930	0.000	1	108.7930	0.000	1	108.7930	0.000	1	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{5|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(COO)(H){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3995	0.077	2	109.3995	0.006	2	109.2943	0.637	117	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCO)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[6]C[6]2H)	109.4125	0.047	2	109.4125	0.002	2	109.2943	0.637	117	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[6]C[6]2H)	109.4303	0.072	4	109.4303	0.005	4	109.2943	0.637	117	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.1825	0.130	4	109.2135	0.012	6	109.2943	0.637	117	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2755	0.013	2	109.2135	0.012	6	109.2943	0.637	117	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<4>,2|C<3>,2|O<2>}	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.9080	0.020	2	108.9080	0.000	2	109.2943	0.637	117	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(COO)(H){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.9330	0.021	2	108.9330	0.000	2	109.2943	0.637	117	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2{2|O<2>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(COO)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5990	0.016	2	109.5990	0.000	2	109.2943	0.637	117	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2{1|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCC)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3365	0.023	2	109.3365	0.001	2	109.2943	0.637	117	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(CCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CC)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(CCO)(H){2|C<3>,4|C<4>}	H(C[6]C[6]2H)	108.8260	0.092	4	108.8260	0.009	4	109.2943	0.637	117	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCH)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6]2H)	108.7840	0.007	2	108.7840	0.000	2	109.2943	0.637	117	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(CN[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(CN[6]O)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.3828	0.022	4	109.3828	0.000	4	109.2943	0.637	117	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|C<2>,1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCC)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3940	0.020	2	109.3940	0.000	2	109.2943	0.637	117	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0260	0.000	1	109.0260	0.000	1	109.2943	0.637	117	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6]N[6,6]C)(C[6]C[6]HH)(CC[5a]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6](C[6,6]C[5,6]N[6,6]C)(C[6]C[6]HH)(CC[5a]O)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.5030	2.428	2	108.5030	5.896	2	109.2943	0.637	117	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(CC[5a]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(CC[5a]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	111.0485	2.860	2	111.0485	8.181	2	109.2943	0.637	117	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(CC[6a]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(CC[6a]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6660	0.025	2	109.6660	0.001	2	109.2943	0.637	117	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCO)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3230	0.021	2	109.3230	0.000	2	109.2943	0.637	117	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(COO)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3385	2.254	2	109.3385	5.078	2	109.2943	0.637	117	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCC)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.8735	0.016	2	108.8735	0.000	2	109.2943	0.637	117	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.0570	0.017	2	109.0570	0.000	2	109.2943	0.637	117	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHH)(H){1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8300	0.000	1	108.8300	0.000	1	109.2943	0.637	117	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(COO)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3493	0.043	3	109.3493	0.002	3	109.2943	0.637	117	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7380	0.024	2	109.3566	0.069	9	109.2943	0.637	117	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2015	0.220	4	109.3566	0.069	9	109.2943	0.637	117	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3490	0.010	2	109.3566	0.069	9	109.2943	0.637	117	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2290	0.000	1	109.3566	0.069	9	109.2943	0.637	117	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9540	0.023	2	108.1825	1.080	4	109.2943	0.637	117	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	107.4110	0.926	2	108.1825	1.080	4	109.2943	0.637	117	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHO)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1857	0.100	7	109.1857	0.010	7	109.2943	0.637	117	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.7896	0.165	5	109.5467	0.112	9	109.2943	0.637	117	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.0700	0.049	2	109.5467	0.112	9	109.2943	0.637	117	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4160	0.018	2	109.5467	0.112	9	109.2943	0.637	117	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CCO)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8245	0.015	2	109.8245	0.000	2	109.2943	0.637	117	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(CCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(CCO)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3085	0.013	2	109.3085	0.000	2	109.2943	0.637	117	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(CHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(CHO)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4590	0.013	2	109.4590	0.000	2	109.2943	0.637	117	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(COO)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.7258	0.161	4	109.7258	0.026	4	109.2943	0.637	117	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCH)(H){1|N<2>,1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.0625	0.030	2	109.0625	0.001	2	109.2943	0.637	117	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	107.1390	0.943	2	107.1390	0.890	2	109.2943	0.637	117	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HN)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CNO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HN)(H)2{2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CNO)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3745	0.653	2	109.3745	0.426	2	109.2943	0.637	117	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2{1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(COO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6567	0.182	13	109.6567	0.033	13	109.2943	0.637	117	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]N[5,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]N[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CHO)(H){1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5795	0.009	2	109.5795	0.000	2	109.2943	0.637	117	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]N[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]N[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|S<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.7000	4.306	2	109.7000	18.544	2	109.2943	0.637	117	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CCO)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.0215	0.028	2	109.0215	0.001	2	109.2943	0.637	117	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6]C[6]FH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(NC[6a]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HN)(C[6]C[6]FH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(NC[6a]H)(H){1|F<1>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4955	0.021	2	109.4955	0.000	2	109.0558	0.167	6	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2{2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.0880	0.004	2	109.0880	0.000	2	109.0558	0.167	6	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(NOO)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5840	0.055	2	108.5840	0.003	2	109.0558	0.167	6	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]N[5]H)(C[6]N[6,6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]N[5]H)(C[6]N[6,6]HH)(H)2{1|H<1>,1|N<3>,4|C<4>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<3>,1|N<3>,3|C<4>,8|H<1>}	H(C[6]C[6]2H)	109.0860	0.000	1	109.0860	0.000	1	109.0860	0.000	1	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B-3:H-1:	C[6]-4:	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(BCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(BCO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0885	0.081	4	109.0885	0.007	4	109.1115	0.095	82	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B-3:H-1:	C[6]-4:	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(BC[6]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(BC[6]2)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1830	0.045	2	109.1830	0.002	2	109.1115	0.095	82	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B-3:H-1:	C[6]-4:	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(BC[6]N)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(BC[6]N)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1181	0.187	22	109.1181	0.035	22	109.1115	0.095	82	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B-3:H-1:	C[6]-4:	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(BC[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(BC[6]O)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0910	0.095	25	109.0910	0.009	25	109.1115	0.095	82	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B-3:H-1:	C[6]-4:	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(BC[6a]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(BC[6a]C[6])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2248	0.164	21	109.2248	0.027	21	109.1115	0.095	82	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B-3:H-1:	C[6]-4:	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(BHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(BHN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6543	1.293	4	108.6543	1.672	4	109.1115	0.095	82	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B-3:H-1:	C[6]-4:	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(BPt2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(BPt2)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0528	0.090	4	109.0528	0.008	4	109.1115	0.095	82	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B[5]-3:H-1:	C[6]-4:	C[6](C[6]B[5]C[6]H)(C[6]C[6]CC)(H)2	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(B[5]O[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]CC)(H)2{1|B<3>,1|C<4>,2|H<1>,3|O<2>}	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(B[5]O[5]2)(H){2|H<1>,2|O<2>,5|C<4>}	H(C[6]C[6]2H)	108.7485	0.006	2	108.7485	0.000	2	109.0264	0.853	17	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B[5]-3:H-1:	C[6]-4:	C[6](C[6]B[5]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(B[5]O[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(B[5]O[5]2)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.2500	0.000	1	109.2500	0.000	1	109.0264	0.853	17	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B[5]-3:H-1:	C[6]-4:	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(B[5]O[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,3|O<2>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(B[5]O[5]2)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.0315	0.016	2	109.0315	0.000	2	109.0264	0.853	17	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B[5]-3:H-1:	C[6]-4:	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(B[5]O[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(B[5]O[5]2)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9431	1.188	10	108.9431	1.412	10	109.0264	0.853	17	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B[5]-3:H-1:	C[6]-4:	C[6](C[6]B[5]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(B[5]O[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]HO)(H)2{1|B<3>,1|H<1>,2|O<2>,3|C<4>}	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(B[5]O[5]2)(H){3|C<4>,3|H<1>,3|O<2>}	H(C[6]C[6]2H)	109.6040	0.016	2	109.6040	0.000	2	109.0264	0.853	17	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:Br-1:	C[6]-4:	C[6](C[6]C[6]BrC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(COO)(Br)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrC)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(COO)(Br){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	106.8865	1.155	4	106.8865	1.335	4	107.7840	2.291	8	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:Br-1:	C[6]-4:	C[6](C[6]C[6]BrC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(COO)(Br)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrC)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(COO)(Br){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6815	1.364	4	108.6815	1.861	4	107.7840	2.291	8	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:Cl-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClC)(H)2	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(COO)(Cl)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClC)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(COO)(Cl){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3190	0.061	2	109.3190	0.004	2	109.3190	0.004	2	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]B[5]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(CCC)(H){1|B<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.2585	0.026	2	109.2585	0.001	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,3x6]HO)(C[6]C[6]HH)(CCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,3x6]HO)(C[6]C[6]HH)(CCO)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8533	0.093	4	108.8533	0.009	4	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,3x6]HO)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,3x6]HO)(C[6]C[6]HH)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0305	0.119	4	109.0305	0.014	4	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.2494	0.095	17	109.2494	0.009	17	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(CCC)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4360	0.000	1	109.4360	0.000	1	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	108.8273	0.098	3	108.8273	0.010	3	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5905	0.026	2	109.5905	0.001	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.5025	0.008	2	109.5025	0.000	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	108.4290	0.023	3	108.5440	0.025	5	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	108.7165	0.023	2	108.5440	0.025	5	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4205	0.044	4	109.4205	0.002	4	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8615	0.012	2	108.8615	0.000	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(CC[5,6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(CC[5,6]O)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2955	0.013	2	109.2955	0.000	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(CC[6a]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(CC[6a]O)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3660	0.004	2	109.3660	0.000	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	108.6302	0.098	4	108.6302	0.010	4	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.6000	0.000	1	109.6000	0.000	1	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(COO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0358	1.689	4	109.0358	2.852	4	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4110	0.000	1	109.3620	0.005	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.3130	0.000	1	109.3620	0.005	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CCC)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.5173	0.892	12	109.5173	0.795	12	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[3,6,6]HO)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[3,6,6]HO)(C[6]C[6]HH)(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8485	0.009	2	109.8485	0.000	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.5405	0.048	4	109.5405	0.002	4	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3033	0.142	4	109.3033	0.020	4	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCO)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5200	0.052	2	109.5200	0.003	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]O)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5710	2.223	2	109.5710	4.942	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4297	0.018	3	109.4297	0.000	3	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(CHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(CHO)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4325	0.045	2	109.4325	0.002	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4425	0.022	2	109.5388	0.543	24	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4690	0.000	1	109.5388	0.543	24	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5610	0.014	2	109.5388	0.543	24	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6400	0.045	2	109.5388	0.543	24	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1350	0.011	2	109.5388	0.543	24	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3570	0.057	2	109.5388	0.543	24	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.2970	0.021	2	109.5388	0.543	24	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3630	0.027	3	109.5388	0.543	24	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.3515	0.022	2	109.5388	0.543	24	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	111.2615	2.371	2	109.5388	0.543	24	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3205	0.084	4	109.5388	0.543	24	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3338	0.043	4	109.2757	0.009	6	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1595	0.037	2	109.2757	0.009	6	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCO)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2777	0.136	7	109.3632	0.043	9	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCO)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6625	0.009	2	109.3632	0.043	9	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.0890	0.004	2	109.0890	0.000	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0440	0.769	3	109.3644	0.263	9	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5247	0.303	6	109.3644	0.263	9	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2335	0.021	2	109.2738	0.004	6	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2940	0.073	4	109.2738	0.004	6	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.5040	0.099	4	109.5040	0.010	4	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	110.1504	0.315	5	109.6675	0.394	10	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.1846	0.452	5	109.6675	0.394	10	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO)(H){1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6]2H)	110.4665	1.276	2	110.4665	1.629	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCC)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4285	0.009	2	109.4285	0.000	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CC)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(COO)(H){1|Br<1>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	109.6565	0.054	2	109.6550	0.001	4	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CC)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(COO)(H){1|Br<1>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	109.6535	0.019	2	109.6550	0.001	4	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2{1|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCC)(H){1|Br<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9395	0.081	4	109.2789	0.156	8	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCC)(H){1|Br<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6183	0.222	4	109.2789	0.156	8	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.8780	0.000	1	108.8780	0.000	1	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CO)(CCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]CO)(CCO)(H){1|C<4>,2|C<3>}	H(C[6]C[6]2H)	109.2680	0.011	2	109.2680	0.000	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCO)(H){1|C<4>,2|C<2>,4|C<3>}	H(C[6]C[6]2H)	108.9030	0.000	1	108.9030	0.000	1	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CN)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]CN)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCO)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.8060	0.035	2	109.8060	0.001	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CN)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]CN)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CHO)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.6395	0.012	2	108.6395	0.000	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.8470	0.021	2	108.8470	0.000	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6]HH)2(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	108.9465	0.005	2	108.9465	0.000	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CHO)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4855	0.037	2	109.4855	0.001	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CNO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CNO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.3855	0.071	4	109.3855	0.005	4	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6]2H)	109.3545	0.043	2	109.3545	0.002	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(COO)(H){1|C<4>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.0348	0.452	4	109.0348	0.204	4	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4855	0.012	2	109.4855	0.000	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.1770	0.014	2	108.1770	0.000	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2690	0.000	1	109.3315	0.016	15	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3899	0.132	9	109.3315	0.016	15	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.2443	0.068	3	109.3315	0.016	15	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.2310	0.044	2	109.3315	0.016	15	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2870	0.021	2	109.2870	0.000	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3480	0.000	1	109.1783	0.049	4	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1217	0.232	3	109.1783	0.049	4	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1985	0.009	2	109.1985	0.000	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3540	0.061	2	109.3540	0.004	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHO)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6070	0.038	2	109.4898	0.020	4	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHO)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3725	0.070	2	109.4898	0.020	4	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3057	0.170	58	109.2625	0.049	66	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9490	0.305	8	109.2625	0.049	66	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]O)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3770	0.040	2	109.3770	0.002	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1233	0.849	46	109.2262	0.567	63	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4772	0.029	4	109.2262	0.567	63	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3810	0.004	2	109.2262	0.567	63	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4490	0.274	7	109.2262	0.567	63	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6902	0.316	4	109.2262	0.567	63	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CSiC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CSiC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2030	0.027	2	109.2030	0.001	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[4]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[4]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6640	0.004	2	108.6640	0.000	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CNO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CNO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2725	0.280	38	109.1518	0.113	49	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CNO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CNO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7347	0.066	11	109.1518	0.113	49	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(COO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3037	0.373	6	109.2003	0.159	9	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(COO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9937	0.437	3	109.2003	0.159	9	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.5045	0.051	4	109.3269	0.042	8	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1492	0.107	4	109.3269	0.042	8	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1140	0.010	2	109.1140	0.000	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCO)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4025	0.053	2	109.4025	0.003	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6620	0.030	2	108.6620	0.001	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CNO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CNO)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4557	0.103	3	109.4557	0.011	3	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4982	0.037	4	108.6038	3.156	10	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3760	0.068	4	108.6038	3.156	10	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H){1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	105.2705	0.762	2	108.6038	3.156	10	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CN[5]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CN[5]O)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3500	0.018	2	109.3500	0.000	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(COO)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.5915	0.064	2	109.5915	0.004	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]OO)(CCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]OO)(CCO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2100	0.035	2	109.2100	0.001	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCO)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.9142	0.063	4	109.9142	0.004	4	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(COO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0701	1.304	11	109.0701	1.701	11	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HP)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HP)(COO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3990	0.025	2	109.3990	0.001	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CC)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(COO)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7993	0.176	4	109.7993	0.031	4	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCO)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3755	0.013	2	109.3755	0.000	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(CCC)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.1135	0.036	2	109.3387	0.038	65	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3731	0.133	33	109.3387	0.038	65	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCC)(H){1|Br<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2357	0.178	4	109.3387	0.038	65	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCC)(H){1|Br<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4265	0.050	4	109.3387	0.038	65	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCC)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3030	0.000	1	109.3387	0.038	65	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4665	0.140	6	109.3387	0.038	65	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCC)(H){1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	109.1599	0.324	10	109.3387	0.038	65	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4040	0.000	1	109.3387	0.038	65	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(CCC)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4297	0.091	4	109.3387	0.038	65	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCF)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(CCF)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.3103	0.192	6	109.3103	0.037	6	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2586	0.298	69	109.2518	0.091	73	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1350	0.400	4	109.2518	0.091	73	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCN)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2820	0.044	2	109.4977	8.032	17	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CCN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5265	3.029	15	109.4977	8.032	17	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CCO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2210	0.063	4	108.1555	17.295	17	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CCO)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3200	0.062	3	108.1555	17.295	17	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CCO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	107.3800	5.396	10	108.1555	17.295	17	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[3]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC[3]O)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4607	0.199	4	109.4607	0.040	4	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[5]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC[5]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2853	0.033	4	109.2853	0.001	4	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[5]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC[5]O)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4665	0.036	4	109.4665	0.001	4	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[5a]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC[5a]O)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5984	0.666	25	109.5984	0.443	25	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[6,6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC[6,6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4080	0.069	4	109.4080	0.005	4	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC[6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4121	0.131	7	109.4121	0.017	7	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[6a]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(CC[6a]C)(H){1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.5547	0.140	4	109.5547	0.020	4	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[6a]N)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC[6a]N)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4185	0.117	4	109.4185	0.014	4	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[6a]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC[6a]O)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3691	0.145	13	109.3930	0.016	39	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[6a]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CC[6a]O)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4050	0.118	26	109.3930	0.016	39	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CClC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CClC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9522	0.374	4	108.9522	0.140	4	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CHH)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.1150	2.506	2	108.1150	6.280	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CNO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CNO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	106.2618	1.982	4	109.2592	0.798	71	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CNO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CNO)(H){1|C<2>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4910	0.000	1	109.2592	0.798	71	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CNO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CNO)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3715	0.077	2	109.2592	0.798	71	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CNO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CNO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3895	0.318	48	109.2592	0.798	71	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CNO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CNO)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0825	0.023	2	109.2592	0.798	71	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CNO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CNO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6616	0.116	14	109.2592	0.798	71	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CNS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CNS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4719	0.102	8	109.4719	0.010	8	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CN[5a]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CN[5a]O)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6510	2.186	4	109.6510	4.777	4	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CN[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CN[6]O)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5493	0.099	4	109.5493	0.010	4	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CN[6]S)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CN[6]S)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4262	0.070	4	109.4262	0.005	4	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(COO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3349	0.448	97	109.3457	0.276	251	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(COO)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.4840	0.024	2	109.3457	0.276	251	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)2(COO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1776	0.155	26	109.3457	0.276	251	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(COO)(H){1|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3355	0.049	4	109.3457	0.276	251	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(COO)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5228	0.063	4	109.3457	0.276	251	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(COO)(H){1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.5540	0.000	1	109.3457	0.276	251	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(COO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4860	0.918	26	109.3457	0.276	251	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(COO)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4665	0.195	6	109.3457	0.276	251	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(COO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3446	0.561	85	109.3457	0.276	251	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CSiC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CSiC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5730	0.139	8	109.5730	0.019	8	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]NiH)(C[6]C[6]HH)(CC[6a]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Ni<5>,1|C<3>,3|H<1>}	C[6](C[6]C[6]NiH)(C[6]C[6]HH)(CC[6a]C)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.6950	0.000	1	109.6950	0.000	1	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCC)(H){3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.0727	1.402	4	109.0727	1.965	4	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[5a]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[5a]O)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.9882	0.024	4	108.9882	0.001	4	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHO)(H){2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.5550	0.000	1	109.5550	0.000	1	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CNO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CNO)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.1330	0.034	2	109.1330	0.001	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(COO)(H){3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2320	0.076	2	109.2320	0.006	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(COO)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	110.1210	0.061	8	110.0826	0.059	13	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(COO)(H){2|H<1>,4|C<3>}	H(C[6]C[6]2H)	110.0212	0.405	5	110.0826	0.059	13	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CNO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CNO)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7935	0.013	2	109.7935	0.000	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]S[6]H)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.7215	0.006	2	108.7215	0.000	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]Si[6]CH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,3|H<1>}	C[6](C[6]Si[6]CH)(C[6]C[6]HH)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6040	0.058	2	108.6040	0.003	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HI)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CO)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HI)(H)2{2|O<2>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CO)(COO)(H){1|C<4>,1|H<1>,1|I<1>}	H(C[6]C[6]2H)	109.8345	0.012	2	109.8345	0.000	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(COO)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.3605	0.023	2	109.3605	0.001	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(COO)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.6000	0.045	4	109.6033	0.001	6	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(COO)(H){1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.6100	0.023	2	109.6033	0.001	6	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCC)(H){1|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6]2H)	111.2980	0.925	2	111.2980	0.855	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.3660	0.008	4	109.3660	0.000	4	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.5245	1.586	8	109.5331	1.956	10	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.5675	0.050	2	109.5331	1.956	10	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CCC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.4915	0.021	2	109.1667	0.039	9	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.0762	0.099	5	109.1667	0.039	9	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.0680	0.014	2	109.1667	0.039	9	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCC)(H){1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	109.2883	0.221	11	109.2883	0.049	11	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(COO)(H){1|N<3>,4|C<4>}	H(C[6]C[6]2H)	108.5496	0.254	12	108.5496	0.065	12	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.5555	0.022	2	109.5555	0.000	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCC)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.2002	0.070	4	109.2002	0.005	4	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCH)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.4275	0.130	4	109.4275	0.017	4	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(CNO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CNO)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.4218	0.130	6	109.3722	0.023	95	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(CNO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CNO)(H){1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.3725	0.154	86	109.3722	0.023	95	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(CNO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CNO)(H){1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.2640	0.063	3	109.3722	0.023	95	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(COO)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.4213	0.130	16	109.4126	0.026	62	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(COO)(H){1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.4677	0.190	3	109.4126	0.026	62	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)2(COO)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.5090	0.033	3	109.4126	0.026	62	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(COO)(H){1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.3750	0.178	33	109.4126	0.026	62	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(COO)(H){1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.5049	0.120	7	109.4126	0.026	62	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CN[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CN[6]O)(H){1|N<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2360	0.007	2	109.2360	0.000	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCO)(H){1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.5060	0.133	3	109.5060	0.018	3	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)2(CNO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CNO)(H){1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.6164	0.080	8	109.6164	0.006	8	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6540	0.016	2	108.8390	0.047	4	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0240	0.062	2	108.8390	0.047	4	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1240	0.083	12	109.1240	0.007	12	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2585	0.057	2	109.0743	0.108	27	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0152	0.350	21	109.0743	0.108	27	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2922	0.090	4	109.0743	0.108	27	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(COO)(H){2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.7500	0.062	2	109.7500	0.004	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[5a]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[5a]O)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4465	0.023	2	109.4465	0.001	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(CNO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(CNO)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.1305	0.032	2	109.1305	0.001	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7575	0.011	2	108.7594	0.002	5	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7275	0.040	2	108.7594	0.002	5	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCC)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	108.8270	0.000	1	108.7594	0.002	5	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(COO)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	108.8700	0.076	2	108.8700	0.006	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)2(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CCC)(H){1|C<2>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.1610	0.006	2	109.1053	0.009	3	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)2(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCC)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.9940	0.000	1	109.1053	0.009	3	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)2(CCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CCO)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2330	0.007	2	109.2330	0.000	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)2(CHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CHH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.0317	0.350	7	110.0317	0.122	7	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)2(CNO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CNO)(H){1|C<2>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4105	0.005	2	109.3546	0.226	8	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)2(CNO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CNO)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4115	0.707	4	109.3546	0.226	8	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)2(CNO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CNO)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1850	0.048	2	109.3546	0.226	8	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)2(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(COO)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4738	0.746	255	109.4693	0.547	260	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)2(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(COO)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2406	0.041	5	109.4693	0.547	260	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.7150	0.007	2	109.7150	0.000	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(CC[6a]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(CC[6a]O)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6845	0.028	2	109.6845	0.001	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.7415	0.045	2	108.7478	0.002	6	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCH)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.7940	0.024	2	108.7478	0.002	6	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.7080	0.016	2	108.7478	0.002	6	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.8665	0.012	2	109.0815	0.062	4	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.2965	0.011	2	109.0815	0.062	4	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(COO)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.2545	0.054	2	109.2545	0.003	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CCC)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.6435	0.056	2	109.6435	0.003	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]2H)	109.5260	0.010	2	109.5260	0.000	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CNO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(CNO)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.9650	0.027	2	108.9650	0.001	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(H)2{3|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(COO)(H){1|C<4>,3|C<3>}	H(C[6]C[6]2H)	109.3145	0.012	2	109.3145	0.000	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<4>,2|C<2>,4|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2815	0.015	2	109.2815	0.000	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.3260	0.048	2	109.3260	0.002	2	109.3287	0.572	1748	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]BrH)(H)2	C[6](C[6]C[6]HH)2(C[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]BrH)(H)2{1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(C[5]C[5]2)(H){1|Br<1>,1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.0990	0.021	2	109.0990	0.000	2	109.2294	0.073	14	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(C[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(C[5]C[5]2)(H){1|Br<1>,1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.6085	0.011	2	109.6085	0.000	2	109.2294	0.073	14	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(C[5]N[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6](C[6]C[6]HH)2(C[5]N[5]2)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2235	0.198	4	109.2235	0.039	4	109.2294	0.073	14	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]O[6]CC)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]HH)(C[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]O[6]CC)(H)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]B[6]HH)(C[6]C[6]HH)(C[5]C[5]2)(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.7640	0.048	2	108.7640	0.002	2	109.2294	0.073	14	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)2(H)2	C[6](C[6]C[6]HH)2(C[5]N[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)2(H)2{1|C<4>,4|H<1>,4|N<3>}	C[6](C[6]C[6]HH)2(C[5]N[5]2)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3438	0.092	4	109.3438	0.009	4	109.2294	0.073	14	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]CC)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.8970	0.033	2	108.8719	0.007	8	109.3075	1.396	107	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]CC)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8635	0.098	6	108.8719	0.007	8	109.3075	1.396	107	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(H){4|C<4>,7|H<1>}	H(C[6]C[6]2H)	108.8875	0.066	4	108.8875	0.004	4	109.3075	1.396	107	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(C[6]C[6]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(C[6]C[6]2)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4325	0.006	2	109.4325	0.000	2	109.3075	1.396	107	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<2>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5370	0.047	2	109.5370	0.002	2	109.3075	1.396	107	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.2365	0.104	4	109.3219	0.019	17	109.3075	1.396	107	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.4176	0.103	9	109.3219	0.019	17	109.3075	1.396	107	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2270	0.016	2	109.3219	0.019	17	109.3075	1.396	107	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.1570	0.006	2	109.3219	0.019	17	109.3075	1.396	107	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(H){4|C<4>,7|H<1>}	H(C[6]C[6]2H)	109.0620	0.000	1	109.0620	0.000	1	109.3075	1.396	107	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2S)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|O<1>,1|S<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6]2S)(C[6]C[6]HH)(C[6]C[6]O)(H){3|C<4>,8|H<1>}	H(C[6]C[6]2H)	109.4940	0.013	2	109.4940	0.000	2	109.3075	1.396	107	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H){2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.2740	0.088	2	109.3416	1.816	49	109.3075	1.396	107	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H){4|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.2684	0.153	12	109.3416	1.816	49	109.3075	1.396	107	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.6913	0.041	7	109.3416	1.816	49	109.3075	1.396	107	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.5512	1.756	4	109.3416	1.816	49	109.3075	1.396	107	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	110.1958	1.827	8	109.3416	1.816	49	109.3075	1.396	107	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.0648	1.970	8	109.3416	1.816	49	109.3075	1.396	107	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.9804	1.520	8	109.3416	1.816	49	109.3075	1.396	107	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(C[6]N[6]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)2(C[6]N[6]2)(H){1|B<4>,1|C<3>,1|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4321	0.138	8	109.4321	0.019	8	109.3075	1.396	107	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|H<1>}	H(C[6]C[6]2H)	109.0705	0.005	2	109.0705	0.000	2	109.3075	1.396	107	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){3|C<4>,7|H<1>}	H(C[6]C[6]2H)	109.1520	0.042	2	109.1520	0.002	2	109.3075	1.396	107	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]O)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4715	0.013	2	109.4715	0.000	2	109.3075	1.396	107	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]O[6]HO)(H)2	C[6](C[6]C[5,6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]O[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	H(C[6]C[6]2H)	109.9385	4.311	4	109.9385	18.581	4	109.3075	1.396	107	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6a]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(H)2{1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.0800	0.011	2	109.0800	0.000	2	109.3075	1.396	107	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(H)2{2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2065	0.015	2	109.2065	0.000	2	109.3075	1.396	107	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HN)(H)2{5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2140	0.010	2	109.2140	0.000	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HN)(H)2{5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0370	0.074	4	109.0370	0.005	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NC[6a]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NC[6a]C)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	110.3850	1.369	2	110.3850	1.874	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHS)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8028	1.909	4	108.8028	3.644	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NHS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(NHS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3803	0.061	4	109.3803	0.004	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(NCS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(NCS)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4930	0.000	1	109.4930	0.000	1	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6805	0.016	2	109.6805	0.000	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NHS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NHS)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2185	0.016	2	109.2185	0.000	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(NOO)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.9000	0.186	8	109.9000	0.035	8	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3648	0.159	6	109.3648	0.025	6	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0930	0.082	3	109.0635	0.008	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9750	0.000	1	109.0635	0.008	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCS)(H){1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8075	0.032	2	109.8918	0.010	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCS)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.9760	0.038	2	109.8918	0.010	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC[6a]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC[6a]H)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8595	0.009	2	108.8595	0.000	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NCH)(H){5|C<4>}	H(C[6]C[6]2H)	108.8160	1.190	12	108.8160	1.417	12	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NHS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NHS)(H){5|C<4>}	H(C[6]C[6]2H)	107.5988	1.705	12	107.5988	2.908	12	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4232	0.047	9	109.4232	0.002	9	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NCH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5830	0.022	3	109.5830	0.000	3	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HN)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9045	0.046	2	108.9045	0.002	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NHH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9425	0.023	2	108.9425	0.001	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	110.0737	0.282	3	109.9652	0.062	5	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.8025	0.013	2	109.9652	0.062	5	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.2490	0.000	1	109.2490	0.000	1	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NHS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NHS)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.5455	0.066	2	109.5455	0.004	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1880	0.033	2	109.1880	0.001	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(NOO)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6]2H)	108.6000	0.000	1	108.9410	0.087	3	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(NOO)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.1115	0.005	2	108.9410	0.087	3	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1550	0.016	2	109.1550	0.000	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NHS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NHS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1545	0.011	2	109.1545	0.000	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NOO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8700	0.000	1	109.8700	0.000	1	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]CF)(C[6]C[6]HH)(NHS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|F<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CF)(C[6]C[6]HH)(NHS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	106.9805	1.066	2	106.9805	1.136	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.5820	0.013	2	109.2988	0.138	66	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3118	0.370	47	109.2988	0.138	66	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0615	1.440	2	109.2988	0.138	66	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2520	0.152	15	109.2988	0.138	66	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3385	0.011	2	109.3385	0.000	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]S)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]S)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1920	0.013	2	109.1920	0.000	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0630	0.083	4	109.0630	0.007	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NOO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0930	0.049	2	109.0930	0.002	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5385	0.006	2	109.5385	0.000	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4675	0.125	4	109.4675	0.016	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NC[6a]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NC[6a]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2560	0.033	2	109.2560	0.001	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NHS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NHS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1040	0.045	2	109.1040	0.002	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(NHS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(NHS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5370	0.023	2	109.5370	0.001	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HI)(NSS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|I<1>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HI)(NSS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6432	0.072	4	109.6432	0.005	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5309	0.281	20	109.5814	0.079	24	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8338	0.028	4	109.5814	0.079	24	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlP)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6125	0.172	4	109.6125	0.030	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.1870	1.986	4	109.4787	1.084	67	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4984	0.964	54	109.4787	1.084	67	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.9344	0.490	9	109.4787	1.084	67	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1739	0.462	13	109.2028	0.831	252	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5980	0.062	2	109.2028	0.831	252	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1964	0.957	225	109.2028	0.831	252	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2898	0.177	12	109.2028	0.831	252	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2149	0.119	11	109.2149	0.014	11	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[4]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[4]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3825	0.139	4	109.3825	0.019	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[5a]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[5a]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6650	0.022	4	109.6650	0.000	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1662	0.332	4	109.1662	0.110	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0480	0.016	2	109.0480	0.000	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6a]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6a]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3155	0.056	4	109.3155	0.003	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6578	0.841	59	109.6447	0.654	64	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4890	0.097	5	109.6447	0.654	64	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.0895	0.040	2	110.0895	0.002	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7140	0.367	110	109.6876	0.221	114	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9613	1.637	4	109.6876	0.221	114	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6950	0.331	29	109.6791	0.106	31	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4485	0.026	2	109.6791	0.106	31	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1478	0.360	16	109.1262	0.098	22	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0687	0.131	6	109.1262	0.098	22	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHP)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0430	0.007	2	109.6056	0.166	12	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHP)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7181	0.343	10	109.6056	0.166	12	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3942	0.230	4	109.2240	0.180	16	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1673	0.466	12	109.2240	0.180	16	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NIrC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NIrC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7528	0.121	12	109.7528	0.015	12	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NIrH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NIrH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3115	0.022	2	109.3115	0.000	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NLiC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NLiC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5500	0.027	2	109.5500	0.001	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6968	0.555	99	109.6890	0.298	103	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4942	0.140	4	109.6890	0.298	103	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMoC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMoC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6467	0.064	4	109.5162	0.044	6	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMoC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMoC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2550	0.064	2	109.5162	0.044	6	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6730	0.884	107	109.6699	0.768	109	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5040	0.008	2	109.6699	0.768	109	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4480	0.028	2	109.4480	0.001	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NOsC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NOsC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4344	0.245	8	109.4344	0.060	8	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPdC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPdC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3072	1.085	12	109.3072	1.176	12	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPtC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPtC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3314	0.257	8	109.3314	0.066	8	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPtH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPtH)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7130	0.099	2	108.7130	0.010	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRhS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRhS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4915	0.035	2	109.4915	0.001	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRuC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRuC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5537	0.392	53	109.5537	0.153	53	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NSnC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NSnC)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5985	0.018	2	109.1998	0.223	6	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NSnC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NSnC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5005	0.098	4	109.1998	0.223	6	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5689	0.257	43	109.5328	0.072	57	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4219	0.278	14	109.5328	0.072	57	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6]2H)	108.2927	0.854	16	108.5682	0.716	38	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.4691	0.972	12	108.5682	0.716	38	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1278	0.277	10	108.5682	0.716	38	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6]2H)	108.5080	0.402	2	109.2111	0.249	10	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<4>,1|I<1>,3|H<1>}	H(C[6]C[6]2H)	109.6278	0.088	4	109.2111	0.249	10	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1460	0.346	4	109.2111	0.249	10	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6525	0.039	2	109.6525	0.002	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3960	0.027	2	109.3960	0.001	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6a]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6a]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9008	0.743	6	108.9008	0.553	6	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6a]S)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6a]S)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6475	0.022	2	109.6475	0.000	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NHS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NHS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4768	0.029	4	109.4768	0.001	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HP)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0205	0.040	2	109.0205	0.002	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HP)(NRuC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(NRuC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4047	0.034	4	109.4047	0.001	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3392	0.033	4	109.3392	0.001	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NC[6a]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NC[6a]C)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7920	0.011	2	109.7920	0.000	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NC[6a]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NC[6a]H)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6905	0.037	2	109.6905	0.001	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NHH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4603	0.106	8	109.4603	0.011	8	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NCC)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3270	0.000	1	109.3270	0.000	1	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NCS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NCS)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8500	0.016	2	109.8500	0.000	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NOO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NOO)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6770	0.055	2	109.6770	0.003	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NAlC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NAlC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1444	0.906	103	109.1444	0.821	103	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NAuC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NAuC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2673	0.284	8	109.2673	0.080	8	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NBC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NBC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4210	0.047	4	109.4210	0.002	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6724	0.146	5	109.4680	0.621	215	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4678	0.811	202	109.4680	0.621	215	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3465	0.092	8	109.4680	0.621	215	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)2(NCH)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	111.4665	1.496	2	109.3774	0.331	998	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5171	0.132	8	109.3774	0.331	998	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|I<1>,3|H<1>}	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5195	0.034	4	109.3774	0.331	998	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2939	0.295	12	109.3774	0.331	998	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1743	1.105	12	109.3774	0.331	998	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NCH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4267	0.027	3	109.3774	0.331	998	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3729	0.544	946	109.3774	0.331	998	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5334	1.522	11	109.3774	0.331	998	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NCN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(NCN)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.7293	0.050	4	109.7293	0.002	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NCO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1980	0.236	4	109.1980	0.056	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NCP)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NCP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4098	0.539	127	109.4098	0.291	127	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NCS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NCS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5525	0.141	39	109.5525	0.020	39	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NCW)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NCW)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6142	0.061	4	109.6142	0.004	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NCY)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NCY)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1899	0.412	71	109.1899	0.170	71	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NC[3]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[3]C[6])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5912	0.187	28	109.5912	0.035	28	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NC[4]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[4]C[6])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8493	0.480	112	109.8493	0.231	112	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NC[4a]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[4a]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.9013	1.571	4	109.9013	2.467	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NC[4a]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[4a]O)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5150	0.134	4	109.5150	0.018	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NC[5]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[5]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5008	0.175	4	109.5008	0.031	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NC[5]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[5]H)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.6362	0.063	4	109.4890	0.068	42	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NC[5]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[5]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4735	0.270	38	109.4890	0.068	42	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NC[5a]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[5a]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3570	0.960	42	109.3570	0.921	42	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NC[5a]S)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[5a]S)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5297	0.118	11	109.5297	0.014	11	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NC[6]B)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6]B)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0031	0.847	48	109.0031	0.717	48	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NC[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5285	0.194	194	109.5285	0.038	194	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NC[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(NC[6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3654	0.801	8	109.3325	0.837	52	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NC[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3266	0.942	44	109.3325	0.837	52	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NC[6]N)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6]N)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7161	0.113	7	109.7161	0.013	7	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NC[6]P)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6]P)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.2920	7.583	2	109.4362	1.269	69	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NC[6]P)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6]P)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4703	0.629	67	109.4362	1.269	69	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NC[6]S)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6]S)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2982	0.142	15	109.2982	0.020	15	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NC[6]Ta)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6]Ta)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3240	0.190	8	109.3240	0.036	8	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NC[6]Zr)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6]Zr)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4614	0.090	10	109.4614	0.008	10	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5448	0.154	46	109.5448	0.024	46	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NC[6a]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6a]C[6])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5895	0.147	15	109.5895	0.022	15	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1596	0.222	16	109.3218	0.259	63	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3226	0.273	7	109.3218	0.259	63	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3994	0.636	36	109.3218	0.259	63	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2708	0.122	4	109.3218	0.259	63	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NC[6a]Zn)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6a]Zn)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6364	0.647	16	109.6364	0.419	16	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NCaC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NCaC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1956	0.132	8	109.1956	0.017	8	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NCeC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NCeC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3178	0.346	43	109.3178	0.120	43	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NCoC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NCoC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4565	0.130	60	109.4565	0.017	60	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NCrC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NCrC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4841	0.139	7	109.4841	0.019	7	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NCuC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NCuC)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.9168	0.361	4	109.4092	0.068	48	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NCuC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NCuC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4539	0.200	44	109.4092	0.068	48	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NDyC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NDyC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3260	0.025	4	109.3260	0.001	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NErC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NErC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1750	0.336	104	109.1750	0.113	104	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NEuC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NEuC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9840	0.126	4	108.9840	0.016	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NFeC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NFeC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6181	0.170	15	109.6181	0.029	15	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NGeC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NGeC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4498	0.162	6	109.4498	0.026	6	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(NHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4417	0.605	16	109.2991	1.233	35	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)2(NHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0777	1.886	11	109.2991	1.233	35	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NHH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3590	0.013	2	109.2991	1.233	35	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NHH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2695	0.013	2	109.2991	1.233	35	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(NHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3220	0.063	4	109.2991	1.233	35	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NHN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4793	0.020	3	109.4793	0.000	3	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NHP)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(NHP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3060	0.098	12	109.1854	1.058	124	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NHP)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NHP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1725	1.081	112	109.1854	1.058	124	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NHS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NHS)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4785	0.112	6	109.4066	0.019	29	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NHS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NHS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3879	0.139	23	109.4066	0.019	29	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NIrC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NIrC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7362	0.132	10	109.7362	0.017	10	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NLiC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NLiC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3214	0.087	13	109.3214	0.008	13	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NLuC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NLuC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2589	0.113	7	109.2589	0.013	7	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NMgC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NMgC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2768	0.309	87	109.2768	0.095	87	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NMgSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NMgSi)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0455	0.027	6	109.0455	0.001	6	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NMoC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NMoC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6360	0.137	4	109.6360	0.019	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NNb[3]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NNb[3]C[6])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2934	0.100	13	109.2934	0.010	13	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NNdC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NNdC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3264	0.185	33	109.3264	0.034	33	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NNiC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NNiC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5048	0.249	59	109.5048	0.062	59	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NPP)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NPP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4682	0.105	9	109.4682	0.011	9	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NP[4]P)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NP[4]P)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5265	0.092	4	109.5265	0.008	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NP[5,6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NP[5,6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3915	0.126	4	109.3915	0.016	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NP[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NP[6]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3375	0.369	4	109.3375	0.136	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NP[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NP[6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2009	0.655	91	109.2009	0.429	91	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NP[6]Li)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NP[6]Li)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0583	0.053	8	109.0583	0.003	8	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NP[6]Sb)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NP[6]Sb)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3868	0.166	4	109.3868	0.028	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NPdC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NPdC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3946	0.821	43	109.3946	0.673	43	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NPrC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NPrC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3040	0.100	3	109.3040	0.010	3	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NPtH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NPtH)(H){1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	103.9821	8.839	2	103.9821	78.123	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NReC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NReC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6566	0.198	7	109.6566	0.039	7	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NRhC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NRhC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3667	0.037	3	109.3667	0.001	3	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NRuC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(NRuC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5332	0.180	16	109.5479	0.027	20	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NRuC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NRuC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6068	0.061	4	109.5479	0.027	20	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NSS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NSS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8297	0.074	3	109.8297	0.006	3	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NSb2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NSb2)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4213	0.029	3	109.4213	0.001	3	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NSbH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NSbH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2650	0.075	4	109.2650	0.006	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NSiC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NSiC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5271	0.235	8	109.5271	0.055	8	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NSi[4]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NSi[4]C[6])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2902	0.116	6	109.2902	0.013	6	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NSmC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NSmC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3120	0.155	23	109.3120	0.024	23	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NSnC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NSnC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4086	0.393	120	109.4086	0.154	120	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NTaC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NTaC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5209	0.196	21	109.5209	0.038	21	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NTiC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NTiC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4303	0.212	65	109.4303	0.045	65	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NTiP)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NTiP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4243	0.174	7	109.4243	0.030	7	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NYbC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NYbC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2251	0.325	104	109.2251	0.106	104	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NZnC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NZnC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3803	0.217	92	109.3803	0.047	92	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NZrC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NZrC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3661	0.182	94	109.3661	0.033	94	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NCC)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1045	0.033	2	109.1045	0.001	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC[5]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC[5]H)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2100	0.000	1	109.2100	0.000	1	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5605	0.005	2	109.5605	0.000	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NPdC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NPdC)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3635	0.267	4	109.3635	0.071	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H){1|In<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6499	0.066	8	109.5305	0.024	14	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H){1|In<4>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3452	0.062	4	109.5305	0.024	14	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H){1|In<5>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4235	0.045	2	109.5305	0.024	14	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2975	0.065	4	109.2342	0.023	13	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H){1|In<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2702	0.116	5	109.2342	0.023	13	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H){3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1260	0.216	4	109.2342	0.023	13	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NC[6a]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NC[6a]H)(H){1|In<4>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5480	0.018	2	109.5480	0.000	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NHS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NHS)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3750	0.016	2	109.3750	0.000	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(NOO)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	106.2300	2.046	2	108.0747	5.933	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(NOO)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.9195	0.016	2	108.0747	5.933	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NHN)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4320	0.000	1	109.4320	0.000	1	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NHS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NHS)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3792	0.026	4	109.3792	0.001	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2380	0.010	2	109.2380	0.000	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H){3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4350	3.319	2	109.4350	11.017	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3877	0.029	3	109.2638	0.029	5	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|N<2>,4|H<1>}	H(C[6]C[6]2H)	109.0780	0.021	2	109.2638	0.029	5	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]OO)(NCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]OO)(NCO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.6085	0.005	2	108.6085	0.000	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(NCoC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NCoC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.0148	0.085	4	109.0148	0.007	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(NCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(NCC)(H){1|N<3>,4|C<4>}	H(C[6]C[6]2H)	108.8974	1.146	8	108.8974	1.313	8	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(NCH)(H){1|N<3>,4|C<4>}	H(C[6]C[6]2H)	109.3600	1.857	33	109.2895	2.784	41	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(NCH)(H){1|N<3>,4|C<4>}	H(C[6]C[6]2H)	109.0083	0.129	4	109.2895	2.784	41	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(NCH)(H){1|N<3>,4|C<4>}	H(C[6]C[6]2H)	108.9890	0.198	4	109.2895	2.784	41	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(NC[5]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(NC[5]H)(H){1|N<3>,4|C<4>}	H(C[6]C[6]2H)	108.5353	0.045	3	108.5353	0.002	3	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(NC[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|N<3>,4|C<4>}	H(C[6]C[6]2H)	108.9253	0.332	6	108.9253	0.110	6	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(NC[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(NC[6]H)(H){1|N<3>,4|C<4>}	H(C[6]C[6]2H)	109.3254	2.547	8	109.3254	6.489	8	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(NC[6]S)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(NC[6]S)(H){1|N<3>,4|C<4>}	H(C[6]C[6]2H)	109.1519	0.162	8	109.1519	0.026	8	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|N<3>,4|C<4>}	H(C[6]C[6]2H)	108.6107	0.237	13	108.7898	0.092	21	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|N<3>,4|C<4>}	H(C[6]C[6]2H)	109.0427	0.117	4	108.7898	0.092	21	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|N<4>,4|C<4>}	H(C[6]C[6]2H)	109.1188	0.063	4	108.7898	0.092	21	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(NCuC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|Cu<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(NCuC)(H){1|N<4>,4|C<4>}	H(C[6]C[6]2H)	108.9280	0.046	4	108.9280	0.002	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(NHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(NHH)(H){1|N<3>,4|C<4>}	H(C[6]C[6]2H)	109.0895	1.621	4	108.9439	1.151	8	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(NHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NHH)(H){1|N<4>,4|C<4>}	H(C[6]C[6]2H)	108.7982	0.040	4	108.9439	1.151	8	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(NHS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(NHS)(H){1|N<3>,4|C<4>}	H(C[6]C[6]2H)	108.7157	0.155	3	108.7157	0.024	3	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]C)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.7517	0.079	6	109.7517	0.006	6	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.3155	0.018	2	109.3155	0.000	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(NAlC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(NAlC)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.6385	0.155	21	109.6385	0.024	21	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(NCH)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.4656	0.216	28	109.4807	0.042	32	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(NCH)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.5863	0.044	4	109.4807	0.042	32	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.7033	0.183	7	109.5173	0.045	21	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.4243	0.159	14	109.5173	0.045	21	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.3267	0.231	3	109.3267	0.054	3	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(NHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(NHH)(H){1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.4978	0.105	5	109.4978	0.011	5	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(NZnC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(NZnC)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.6693	0.139	4	109.6693	0.019	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NHS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NHS)(H){1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7335	1.699	2	108.7335	2.887	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.6399	0.246	7	109.6399	0.061	7	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)2(NC[6a]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(NC[6a]2)(H){1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.5837	0.027	4	109.5837	0.001	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.1533	0.361	7	109.1533	0.130	7	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	110.0660	0.101	4	110.0660	0.010	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.4880	0.976	4	109.4880	0.953	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)2(NHS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]S[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(NHS)(H){1|S<3>,4|H<1>}	H(C[6]C[6]2H)	109.2007	0.097	4	109.2007	0.009	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(H)2	C[6](C[6]C[6]HH)2(NAlC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NAlC)(H){1|C<4>,2|H<1>,2|N<4>}	H(C[6]C[6]2H)	108.8972	0.070	8	108.8972	0.005	8	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(H)2	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.2826	0.170	7	109.2826	0.029	7	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(H)2	C[6](C[6]C[6]HH)2(NC[5]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[5]H)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.2850	0.010	3	109.2850	0.000	3	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(H)2	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4189	0.153	7	109.4189	0.023	7	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(H)2	C[6](C[6]C[6]HH)2(NCoC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NCoC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.6747	0.034	3	108.6747	0.001	3	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(H)2	C[6](C[6]C[6]HH)2(NCrH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NCrH)(H){1|C<4>,2|H<1>,2|N<4>}	H(C[6]C[6]2H)	109.0695	1.230	4	109.0695	1.514	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(H)2	C[6](C[6]C[6]HH)2(NCuC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NCuC)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.9718	0.966	4	108.6328	0.113	104	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(H)2	C[6](C[6]C[6]HH)2(NCuC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NCuC)(H){1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	108.6294	0.294	95	108.6328	0.113	104	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(H)2	C[6](C[6]C[6]HH)2(NCuC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NCuC)(H){1|C<4>,2|H<1>,2|N<4>}	H(C[6]C[6]2H)	108.4262	0.110	5	108.6328	0.113	104	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(H)2	C[6](C[6]C[6]HH)2(NCuH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NCuH)(H){1|C<4>,2|H<1>,2|N<4>}	H(C[6]C[6]2H)	109.8780	9.756	4	109.8780	95.184	4	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(H)2	C[6](C[6]C[6]HH)2(NFeC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NFeC)(H){1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	108.5086	0.150	31	108.5086	0.023	31	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(H)2	C[6](C[6]C[6]HH)2(NHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NHH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.2390	0.011	2	109.2390	0.000	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(H)2	C[6](C[6]C[6]HH)2(NHS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NHS)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3799	0.139	8	109.3799	0.019	8	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(H)2	C[6](C[6]C[6]HH)2(NNiC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NNiC)(H){1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	108.7620	0.108	10	108.7620	0.012	10	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(H)2	C[6](C[6]C[6]HH)2(NPtH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NPtH)(H){1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	108.6035	3.983	2	108.6035	15.865	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(H)2	C[6](C[6]C[6]HH)2(NZnC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NZnC)(H){1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	108.5872	0.152	12	108.5872	0.023	12	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HN)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0410	0.062	8	109.0410	0.004	8	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HN)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.8105	0.037	2	109.8105	0.001	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HN)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(NCH)(H){1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6330	0.000	1	109.6330	0.000	1	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HN)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HN)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6]2H)	109.1905	0.008	2	109.1905	0.000	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]N[5,6]CH)(C[6]C[6]HN)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCH)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7995	0.016	2	108.7995	0.000	2	109.3600	0.498	5670	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[3]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[3]C[3]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[3]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[3]C[3]2)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.4376	0.162	8	109.4376	0.026	8	109.4376	0.026	8	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[4]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[4]C[4]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[4]C[4]2)(H){1|C<4>,1|N<2>,1|S<2>,6|H<1>}	H(C[6]C[6]2H)	109.1559	0.172	7	109.3122	0.037	18	109.3122	0.037	18	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[4]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[4]C[4]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[4]C[4]2)(H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4163	0.110	4	109.3122	0.037	18	109.3122	0.037	18	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[4]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[4]C[4]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(N[4]C[4]2)(H){2|C<4>,2|N<2>,4|H<1>}	H(C[6]C[6]2H)	109.4091	0.147	7	109.3122	0.037	18	109.3122	0.037	18	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[3,6]HO)(H)2	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[3,6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>,2|O<2>}	H(C[6]C[6]2H)	111.3340	2.769	2	111.3340	7.668	2	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.0680	0.177	4	108.9710	0.303	8	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(N[5]C[5]2)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	H(C[6]C[6]2H)	108.8740	0.806	4	108.9710	0.303	8	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,2|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9905	0.042	2	108.9905	0.002	2	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.6197	0.131	4	109.5098	0.025	17	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	H(C[6]C[6]2H)	109.6400	0.031	2	109.5098	0.025	17	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4140	0.083	2	109.5098	0.025	17	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H){1|Rh<6>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3425	0.070	2	109.5098	0.025	17	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	H(C[6]C[6]2H)	109.3483	0.148	3	109.5098	0.025	17	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5875	0.108	4	109.5098	0.025	17	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	H(C[6]C[6]2H)	109.3175	0.025	2	109.3853	0.004	6	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.4193	0.036	4	109.3853	0.004	6	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.7635	0.107	2	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.4647	0.440	23	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3113	0.087	7	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|O<1>,1|S<4>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.6960	0.104	4	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.4303	0.096	4	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|N<2>,1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.6380	0.072	5	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5061	0.302	14	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|N<3>,2|C<4>,7|H<1>}	H(C[6]C[6]2H)	109.5373	0.038	4	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.5240	0.156	3	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Rh<6>,1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.6920	0.110	4	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Ru<5>,1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.4470	0.038	2	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<2>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	110.0545	0.120	4	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|B<4>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.2590	0.677	14	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|H<1>}	H(C[6]C[6]2H)	109.6653	0.134	8	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|C<4>,1|N<3>,1|S<1>,5|H<1>}	H(C[6]C[6]2H)	109.5812	0.123	6	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,4|H<1>}	H(C[6]C[6]2H)	109.1870	0.746	22	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	H(C[6]C[6]2H)	109.7312	0.159	5	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.7210	0.133	4	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|S<1>,1|S<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6672	2.273	4	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,2|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6975	0.043	2	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.6251	0.026	7	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.6914	0.280	54	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.8798	0.086	4	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	H(C[6]C[6]2H)	109.4103	0.744	32	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Co<3>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.4609	0.218	16	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Co<4>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.5621	0.199	75	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Cu<2>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.6425	0.057	2	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Fe<8>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.5297	0.122	11	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4627	0.108	4	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|N<2>,1|S<1>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3640	0.191	3	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Ni<7>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.5877	0.187	7	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|O<1>,1|S<1>,1|S<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6905	0.012	2	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.5161	0.183	27	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Pt<4>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.5288	0.206	48	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Pt<5>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.7320	0.184	7	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Rh<4>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.4291	0.240	27	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Rh<6>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.5936	0.141	7	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Ru<5>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.5918	0.188	13	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.5157	0.155	28	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Ru<8>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.5260	0.088	7	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Se<1>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.5768	0.155	8	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Se<2>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.6444	0.257	40	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){2|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6689	0.109	16	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6]2H)	109.2854	0.171	18	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.5179	0.133	9	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){3|C<4>,8|H<1>}	H(C[6]C[6]2H)	109.2857	0.049	6	109.5298	0.141	619	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.4275	0.033	2	109.5580	0.044	24	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.5455	0.052	2	109.5580	0.044	24	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[6]C[6]2H)	109.3617	0.151	3	109.5580	0.044	24	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|O<1>,2|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.3950	0.124	4	109.5580	0.044	24	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.6923	0.242	9	109.5580	0.044	24	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){5|C<4>,8|H<1>}	H(C[6]C[6]2H)	109.6375	0.037	4	109.5580	0.044	24	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	110.0293	0.022	4	110.0293	0.000	4	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|Ru<6>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	108.7960	0.072	4	108.7960	0.005	4	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5563	0.653	4	109.5563	0.426	4	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.9445	0.083	2	109.9445	0.007	2	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HN)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(N[5]C[5]2)(H){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.7885	0.009	2	109.7885	0.000	2	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>,2|O<2>}	H(C[6]C[6]2H)	109.4495	0.021	2	109.4495	0.000	2	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]N[5a]O[6]H)(C[6]C[6]N[5]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]N[5]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2150	0.096	2	109.2150	0.009	2	109.5259	0.162	698	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.7002	0.072	4	108.7002	0.005	4	109.4696	0.853	185	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,4|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5070	0.018	2	109.5070	0.000	2	109.4696	0.853	185	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[6]C[6]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[6]C[6]2)(H){3|C<4>,7|H<1>}	H(C[6]C[6]2H)	109.3225	0.058	4	109.3225	0.003	4	109.4696	0.853	185	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[6]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[6]2)(H){3|C<4>,8|H<1>}	H(C[6]C[6]2H)	107.7785	0.410	4	107.7785	0.168	4	109.4696	0.853	185	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	H(C[6]C[6]2H)	109.6202	0.131	4	109.4861	0.044	9	109.4696	0.853	185	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.5950	0.081	2	109.4861	0.044	9	109.4696	0.853	185	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H){1|N<3>,2|C<4>,8|H<1>}	H(C[6]C[6]2H)	109.1890	0.000	1	109.4861	0.044	9	109.4696	0.853	185	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H){1|N<3>,3|C<4>,7|H<1>}	H(C[6]C[6]2H)	109.2575	0.045	2	109.4861	0.044	9	109.4696	0.853	185	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[6]C[6]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[6]C[6]2)(H){1|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6]2H)	109.5445	0.005	2	109.5445	0.000	2	109.4696	0.853	185	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	H(C[6]C[6]2H)	109.7335	0.048	4	109.4942	1.220	109	109.4696	0.853	185	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.8130	0.087	3	109.4942	1.220	109	109.4696	0.853	185	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|O<1>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.3863	0.351	4	109.4942	1.220	109	109.4696	0.853	185	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){3|C<4>,8|H<1>}	H(C[6]C[6]2H)	109.2120	0.060	3	109.4942	1.220	109	109.4696	0.853	185	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.8820	0.130	38	109.4942	1.220	109	109.4696	0.853	185	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|P<3>,4|H<1>}	H(C[6]C[6]2H)	109.8501	0.200	7	109.4942	1.220	109	109.4696	0.853	185	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	H(C[6]C[6]2H)	109.6532	0.193	24	109.4942	1.220	109	109.4696	0.853	185	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8053	0.145	6	109.4942	1.220	109	109.4696	0.853	185	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	H(C[6]C[6]2H)	109.0780	0.074	3	109.4942	1.220	109	109.4696	0.853	185	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6]2H)	109.4377	0.042	4	109.4942	1.220	109	109.4696	0.853	185	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|C<4>,2|N<3>,8|H<1>}	H(C[6]C[6]2H)	109.0278	0.218	6	109.4942	1.220	109	109.4696	0.853	185	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){3|C<4>,8|H<1>}	H(C[6]C[6]2H)	106.7411	3.310	7	109.4942	1.220	109	109.4696	0.853	185	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[6]C[6]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[6]C[6]2)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	110.0250	0.143	4	110.0250	0.020	4	109.4696	0.853	185	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]2)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4359	0.465	16	109.5458	0.163	26	109.4696	0.853	185	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]2)(H){1|N<3>,1|N<4>,3|C<4>,8|H<1>}	H(C[6]C[6]2H)	109.7217	0.189	10	109.5458	0.163	26	109.4696	0.853	185	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.2740	0.000	1	109.2740	0.000	1	109.4696	0.853	185	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(N[6]C[6]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(N[6]C[6]2)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.6980	0.514	16	109.6980	0.264	16	109.4696	0.853	185	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|N<3>,2|C<4>,8|H<1>}	H(C[6]C[6]2H)	109.4163	0.022	3	109.4163	0.000	3	109.4696	0.853	185	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]O[6]CO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]O[6]CO)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3350	0.000	1	109.3350	0.000	1	109.4696	0.853	185	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OCuH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OCuH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.9095	0.041	4	109.9095	0.002	4	109.3942	0.133	60	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OLiC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OLiC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3090	0.259	8	109.3090	0.067	8	109.3942	0.133	60	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OAl2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(OAl2)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6276	0.148	20	109.6276	0.022	20	109.3942	0.133	60	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OAlH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(OAlH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.9185	0.009	2	109.9185	0.000	2	109.3942	0.133	60	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(ONi2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(ONi2)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5000	0.103	8	109.5000	0.011	8	109.3942	0.133	60	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)2	C[6](C[6]C[6]HH)2(OYbH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(OYbH)(H){1|C<4>,2|H<1>,2|O<3>}	H(C[6]C[6]2H)	108.9528	0.175	18	108.9528	0.031	18	109.3942	0.133	60	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PCC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8510	0.082	2	108.8510	0.007	2	109.3195	0.214	668	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3818	0.535	15	109.3818	0.286	15	109.3195	0.214	668	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.4698	2.156	8	108.4698	4.649	8	109.3195	0.214	668	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PCP)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PCP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3916	0.102	10	109.3916	0.010	10	109.3195	0.214	668	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[5]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[5]C[6])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3324	0.174	79	109.3324	0.030	79	109.3195	0.214	668	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[5a]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[5a]C[6])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4201	0.060	7	109.4201	0.004	7	109.3195	0.214	668	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4374	0.197	52	109.4374	0.039	52	109.3195	0.214	668	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]B)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]B)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1689	0.211	42	109.1689	0.045	42	109.3195	0.214	668	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2737	0.635	166	109.2737	0.403	166	109.3195	0.214	668	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]N)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]N)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2351	0.200	30	109.2351	0.040	30	109.3195	0.214	668	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]P)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]P)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5226	0.578	45	109.5226	0.334	45	109.3195	0.214	668	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]Pb)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]Pb)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2489	0.064	7	109.2489	0.004	7	109.3195	0.214	668	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]Pd)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]Pd)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9327	0.161	6	108.9327	0.026	6	109.3195	0.214	668	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]Pt)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]Pt)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5050	0.202	22	109.5050	0.041	22	109.3195	0.214	668	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]Ru)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]Ru)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3169	0.219	15	109.3169	0.048	15	109.3195	0.214	668	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]Se)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]Se)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3232	0.175	6	109.3232	0.031	6	109.3195	0.214	668	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]Sn)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]Sn)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2461	0.053	8	109.2461	0.003	8	109.3195	0.214	668	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]Te)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]Te)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2334	0.036	5	109.2334	0.001	5	109.3195	0.214	668	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6a]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6a]C[6])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3410	0.148	92	109.3410	0.022	92	109.3195	0.214	668	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PGe[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PGe[6]C[6])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3870	0.134	22	109.3870	0.018	22	109.3195	0.214	668	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PIrC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PIrC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2867	0.146	4	109.2867	0.021	4	109.3195	0.214	668	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PMn2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PMn2)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1073	0.050	3	109.1073	0.003	3	109.3195	0.214	668	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PPP)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PPP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4741	0.170	12	109.4741	0.029	12	109.3195	0.214	668	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:	C[6](C[6]C[6]HP)2(H)2	C[6](C[6]C[6]HH)2(PC[6a]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HP)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6a]2)(H){1|C<4>,2|H<1>,2|P<3>}	H(C[6]C[6]2H)	109.3949	0.091	10	109.3949	0.008	10	109.3195	0.214	668	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P[4]-3:H-1:	C[6]-4:	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2{1|C<4>,1|P<3>,1|P<4>,4|H<1>}	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H){1|Cl<1>,1|P<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2625	0.199	8	109.0786	3.572	56	109.0786	3.572	56	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P[4]-3:H-1:	C[6]-4:	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2{1|C<4>,1|P<3>,1|P<4>,4|H<1>}	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H){1|Cr<6>,1|P<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5365	3.323	8	109.0786	3.572	56	109.0786	3.572	56	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P[4]-3:H-1:	C[6]-4:	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2{1|C<4>,2|P<3>,4|H<1>}	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H){1|P<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4312	0.130	17	109.0786	3.572	56	109.0786	3.572	56	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P[4]-3:H-1:	C[6]-4:	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2{1|C<4>,2|P<3>,4|H<1>}	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H){1|P<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8874	0.937	8	109.0786	3.572	56	109.0786	3.572	56	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P[4]-3:H-1:	C[6]-4:	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2{1|C<4>,2|P<4>,4|H<1>}	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H){1|P<3>,4|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.6577	0.025	7	109.0786	3.572	56	109.0786	3.572	56	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P[4]-3:H-1:	C[6]-4:	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2{1|C<4>,2|P<4>,4|H<1>}	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H){2|Cl<1>,1|P<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.3719	3.800	8	109.0786	3.572	56	109.0786	3.572	56	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(P[5]P[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|P<3>,1|P<4>,4|H<1>}	C[6](C[6]C[6]HH)2(P[5]P[5]2)(H){1|P<3>,1|P<4>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5381	0.258	7	109.3687	0.038	54	109.3687	0.038	54	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(P[5]P[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|P<3>,1|P<4>,4|H<1>}	C[6](C[6]C[6]HH)2(P[5]P[5]2)(H){2|P<3>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3325	0.052	12	109.3687	0.038	54	109.3687	0.038	54	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(P[5]P[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|P<3>,4|H<1>}	C[6](C[6]C[6]HH)2(P[5]P[5]2)(H){1|As<2>,1|P<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2996	0.123	8	109.3687	0.038	54	109.3687	0.038	54	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(P[5]P[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|P<3>,4|H<1>}	C[6](C[6]C[6]HH)2(P[5]P[5]2)(H){1|As<3>,1|P<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3000	0.178	6	109.3687	0.038	54	109.3687	0.038	54	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(P[5]P[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|P<3>,4|H<1>}	C[6](C[6]C[6]HH)2(P[5]P[5]2)(H){1|P<3>,1|P<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2374	0.161	13	109.3687	0.038	54	109.3687	0.038	54	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(P[5]P[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|P<4>,4|H<1>}	C[6](C[6]C[6]HH)2(P[5]P[5]2)(H){2|P<3>,4|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.6368	0.049	4	109.3687	0.038	54	109.3687	0.038	54	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(P[5]P[5]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|P<4>,4|H<1>}	C[6](C[6]C[6]HH)2(P[5]P[5]2)(H){4|H<1>,7|C<4>}	H(C[6]C[6]2H)	109.5810	0.032	4	109.3687	0.038	54	109.3687	0.038	54	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a]O)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5200	0.028	2	109.5200	0.001	2	109.3461	1.277	128	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SC[6]Ti)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|S<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SC[6]Ti)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3855	0.113	6	109.3855	0.013	6	109.3461	1.277	128	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SC[6]Zr)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|S<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SC[6]Zr)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1640	0.024	2	109.1640	0.001	2	109.3461	1.277	128	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SCuC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|S<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SCuC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	106.6439	1.616	8	106.6439	2.612	8	109.3461	1.277	128	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SNiC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|S<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SNiC)(H){1|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.6500	6.092	2	109.2495	3.000	20	109.3461	1.277	128	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SNiC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|S<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SNiC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2050	1.072	18	109.2495	3.000	20	109.3461	1.277	128	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)2(SC[5a]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(SC[5a]O)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5959	0.160	32	109.5959	0.026	32	109.3461	1.277	128	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)2(SFe2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(SFe2)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6328	0.116	4	109.6328	0.013	4	109.3461	1.277	128	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)2(SMo2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(SMo2)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5247	0.060	7	109.5247	0.004	7	109.3461	1.277	128	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)2(SOO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(SOO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3235	2.472	4	109.3235	6.112	4	109.3461	1.277	128	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)2(SPdC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(SPdC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7468	0.123	24	109.7468	0.015	24	109.3461	1.277	128	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)2(SRe2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(SRe2)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4313	0.042	3	109.4313	0.002	3	109.3461	1.277	128	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)2(SRh2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(SRh2)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3491	0.135	8	109.3491	0.018	8	109.3461	1.277	128	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)2(SRhC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(SRhC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7382	0.320	8	109.7382	0.102	8	109.3461	1.277	128	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Si-3:H-1:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(SiCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(SiCC)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	109.4875	0.008	2	109.4875	0.000	2	109.4875	0.000	2	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CCH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1365	0.113	4	109.1365	0.013	4	109.1542	0.386	27	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CNO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CNO)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1620	0.096	4	109.2542	0.026	6	109.1542	0.386	27	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CNO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CNO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4385	0.006	2	109.2542	0.026	6	109.1542	0.386	27	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CO)(CNO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CO)(CNO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3734	0.212	8	109.3734	0.045	8	109.1542	0.386	27	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.7615	1.381	2	107.7615	1.907	2	109.1542	0.386	27	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1545	0.012	2	109.1412	0.789	5	109.1542	0.386	27	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1323	1.256	3	109.1412	0.789	5	109.1542	0.386	27	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4385	0.026	2	109.4385	0.001	2	109.1542	0.386	27	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]PdH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)(PC[6a]2Pd)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]PdH)(C[6]C[6]HP)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(PC[6a]2Pd)(C[6]C[6]H)(H){1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.8980	0.023	2	109.8980	0.001	2	109.8980	0.001	2	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(SiC[6a]CC)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SiH)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(SiC[6a]CC)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.9220	0.000	1	108.9220	0.000	1	108.9220	0.000	1	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](N[6]C[6]IrH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Ir<6>,1|C<4>,3|H<1>}	C[6](N[6]C[6]IrH)(C[6]C[6]HH)(COO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3690	0.023	2	109.3690	0.001	2	109.6195	2.642	16	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](N[6]C[6]MnC)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Mn<7>,2|C<4>,2|H<1>}	C[6](N[6]C[6]MnC)(C[6]C[6]HH)(COO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8705	0.083	4	109.8705	0.007	4	109.6195	2.642	16	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](N[6]C[6]OsH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Os<9>,1|C<4>,3|H<1>}	C[6](N[6]C[6]OsH)(C[6]C[6]HH)(COO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.6140	5.962	2	110.6140	35.549	2	109.6195	2.642	16	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](N[6]C[6]PtH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Pt<4>,1|C<4>,3|H<1>}	C[6](N[6]C[6]PtH)(C[6]C[6]HH)(COO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9990	0.212	4	108.9990	0.045	4	109.6195	2.642	16	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](N[6]C[6]RuH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Ru<9>,1|C<4>,3|H<1>}	C[6](N[6]C[6]RuH)(C[6]C[6]HH)(COO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6170	0.099	4	109.6170	0.010	4	109.6195	2.642	16	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	Si-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	C[6](SiC[6a]2C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>}	C[6](SiC[6a]2C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.6980	1.881	2	108.6980	3.538	2	108.6980	3.538	2	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	Si[5]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]Si[5]N[6]H)(C[6]C[6]HH)(H)2	C[6](Si[5]N[5]2I)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]Si[5]N[6]H)(C[6]C[6]HH)(H)2{1|I<1>,2|C<4>,2|H<1>,2|N<3>}	C[6](Si[5]N[5]2I)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2345	0.008	2	109.2345	0.000	2	109.2345	0.000	2	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)(I)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(NSS)(H)	H(C[6]C[6]2I)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)(I){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HI)(NSS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2I)	109.1680	0.079	2	109.1680	0.006	2	109.1233	0.009	3	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(H)(I)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(NCC)(H)	H(C[6]C[6]2I)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(H)(I){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HI)(NCC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2I)	109.0340	0.000	1	109.0340	0.000	1	109.1233	0.009	3	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)(O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)(O){1|N<4>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){3|C<4>,5|H<1>}	H(C[6]C[6]2O)	107.9045	0.204	2	107.9045	0.042	2	107.9045	0.042	2	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(N[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(CCH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]CH)(N[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(CCH)(H){1|N<4>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	108.8990	0.004	2	108.8990	0.000	2	108.8990	0.000	2	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(COO)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(COO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8817	0.933	12	109.8817	0.870	12	109.8817	0.870	12	109.3400	0.527	10453	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CO)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(COO)(OSi)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CO)(H)2{1|C<4>,1|O<2>,5|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(COO)(OSi){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[3,6]C[6]H)	109.5385	0.021	2	109.5385	0.000	2	109.5385	0.000	2	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]C[5,6]CO)(H)2	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6]C[5,6]HH)(COO)(OH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]C[5,6]CO)(H)2{1|O<1>,2|N<3>,5|C<3>}	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6]C[5,6]HH)(COO)(OH){1|N<3>,1|O<1>,6|C<3>}	H(C[6]C[5,6]C[6]H)	108.4399	0.150	8	108.4399	0.023	8	108.4399	0.023	8	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:O-2:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C[6a]O)(H)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(C[6a]C[6a]2)(OH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C[6a]O)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(C[6a]C[6a]2)(OH){3|C<3>,3|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	109.0215	0.047	4	109.0215	0.002	4	109.0215	0.002	4	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CCO)(OH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CCO)(OH){2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.9500	0.029	4	109.7439	0.051	8	109.0514	0.551	16	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CCO)(OH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CCO)(OH){2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.5378	0.076	4	109.7439	0.051	8	109.0514	0.551	16	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CNO)(OH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CO)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CNO)(OH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	108.3589	0.179	8	108.3589	0.032	8	109.0514	0.551	16	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(H)2	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HH)(COO)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HH)(COO)(OH){2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.1835	0.035	2	108.3850	0.122	3	108.3850	0.122	3	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(H)2	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HH)(COO)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HH)(COO)(OH){3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.7880	0.000	1	108.3850	0.122	3	108.3850	0.122	3	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C[6a]O)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(C[6a]C[6a]2)(OC)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C[6a]O)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(C[6a]C[6a]2)(OC){2|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.7345	0.009	2	108.7345	0.000	2	108.7345	0.000	2	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)(OC)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CO)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)(OC){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	H(C[6]C[6,6]C[6]H)	109.6675	0.027	4	109.6675	0.001	4	109.6532	0.001	8	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CO)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)(OH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.6390	0.029	4	109.6390	0.001	4	109.6532	0.001	8	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6a]-3:O-2:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(C[6a]C[6a]2)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]O)(H)2{1|Cl<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(C[6a]C[6a]2)(OH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4050	0.017	2	109.4050	0.000	2	109.4050	0.000	2	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[3,6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)(C[6]C[6]C)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]C[6]O)(C[6]C[6]HH)(H)2{3|C<4>,4|C<3>}	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<1>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.2385	0.043	2	109.2385	0.002	2	109.3064	0.009	5	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[3,6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)(C[6]C[6]I)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]C[6]O)(C[6]C[6]HH)(H)2{1|I<1>,2|C<3>,4|C<4>}	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)(C[6]C[6]I)(OH){1|O<1>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.3517	0.094	3	109.3517	0.009	3	109.3064	0.009	5	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]CO)(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(CCC)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]CO)(H)2{1|H<1>,4|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(CCC)(OH){2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	108.6715	0.026	2	108.6715	0.001	2	108.6089	0.260	13	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(COO)(OSi)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(COO)(OSi){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.1170	0.086	2	108.1170	0.007	2	108.6089	0.260	13	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(H)2	C[6](C[5,6]S[5,6]C[5]H)(C[6]C[6]HH)(CCH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(H)2{1|S<4>,2|H<1>,4|C<3>}	C[6](C[5,6]S[5,6]C[5]H)(C[6]C[6]HH)(CCH)(OH){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	H(C[6]C[6]2H)	108.0250	0.173	3	108.0250	0.030	3	108.6089	0.260	13	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CO)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CO)(H)2{1|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(OH){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	H(C[6]C[6]2H)	109.4100	0.030	2	109.4100	0.001	2	108.6089	0.260	13	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CO)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(COO)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CO)(H)2{1|C<4>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(COO)(OH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8610	0.028	4	108.8610	0.001	4	108.6089	0.260	13	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[5,6]C[6]O)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(C[6]C[6]2)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6]O)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(C[6]C[6]2)(OH){1|C<3>,1|O<1>,3|C<4>,7|H<1>}	H(C[6]C[6]2H)	108.0700	0.000	1	108.0700	0.000	1	108.0700	0.000	1	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(OC){1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6]2H)	108.7215	0.026	2	108.7215	0.001	2	108.7215	0.001	2	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCH)(OH){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	107.5185	0.465	2	107.5185	0.216	2	108.4315	0.594	8	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(OH){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3510	0.025	2	109.3510	0.001	2	108.4315	0.594	8	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]CO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]CO)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(OH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.4283	0.441	4	108.4283	0.194	4	108.4315	0.594	8	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:S-2:	C[6]-4:	C[6](C[6]C[6,6]CS)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]O)(SC[6a])	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CS)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]O)(SC[6a]){1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3960	0.027	2	109.3960	0.001	2	109.3960	0.001	2	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(COO)(CN)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(COO)(CN){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2560	0.023	2	109.2560	0.001	2	109.3549	0.254	8	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)(CN)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)(CN){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.9200	0.024	2	108.9200	0.001	2	109.3549	0.254	8	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O)(CN)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O)(CN){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7970	0.973	2	109.7970	0.947	2	109.3549	0.254	8	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(CN)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(CN){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4465	0.163	2	109.4465	0.027	2	109.3549	0.254	8	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:N-2:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(COO)(NS)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(COO)(NS){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.9160	0.037	2	108.9160	0.001	2	108.9160	0.001	2	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]CO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CNO)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CNO)(OH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	108.9783	0.698	6	108.9783	0.487	6	108.9983	0.672	75	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(COO)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CO)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(COO)(OH){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.5340	0.040	2	109.5340	0.002	2	108.9983	0.672	75	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6,6]FF)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]FF)(C[6]C[6]CO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)(OC){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	H(C[6]C[6]2H)	108.9325	0.031	4	108.9325	0.001	4	108.9983	0.672	75	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)(OH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	108.9377	0.169	3	108.9377	0.029	3	108.9983	0.672	75	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCC)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CO)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCC)(OH){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.6270	0.016	2	109.6270	0.000	2	108.9983	0.672	75	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCO)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CO)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCO)(OH){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	108.8090	0.058	4	108.8090	0.003	4	108.9983	0.672	75	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(COO)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(COO)(OH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4230	0.031	2	109.4230	0.001	2	108.9983	0.672	75	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(OH){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	107.9690	0.064	3	107.9690	0.004	3	108.9983	0.672	75	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCP)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCP)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3030	0.027	2	109.3030	0.001	2	108.9983	0.672	75	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CCH)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2242	0.174	4	109.2242	0.030	4	108.9983	0.672	75	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCO)(OSi)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CCO)(OSi){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3187	0.039	3	109.3187	0.002	3	108.9983	0.672	75	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[6a]N)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC[6a]N)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1833	0.138	8	109.1833	0.019	8	108.9983	0.672	75	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CNO)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(CNO)(OC){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8730	1.803	7	108.4983	3.612	11	108.9983	0.672	75	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CNO)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CNO)(OC){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	107.8425	2.154	4	108.4983	3.612	11	108.9983	0.672	75	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(COO)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(COO)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2847	0.129	3	109.2847	0.017	3	108.9983	0.672	75	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CRuC)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CRuC)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1521	0.050	7	109.1521	0.003	7	108.9983	0.672	75	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(COO)(OSi)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(COO)(OSi){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.0760	0.000	1	109.0760	0.000	1	108.9983	0.672	75	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(COO)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(COO)(OH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.3357	0.191	3	109.3357	0.037	3	108.9983	0.672	75	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(COO)(OPt)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(COO)(OPt){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.4347	0.033	3	109.4347	0.001	3	108.9983	0.672	75	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6]CO)2(H)2	C[6](C[6]C[6]HH)2(CCC)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)2(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(CCC)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.6098	0.052	4	108.6098	0.003	4	108.9983	0.672	75	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:C-2:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(NCH)(CN)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NCH)(CN){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2490	0.028	4	109.2490	0.001	4	109.2411	0.007	15	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:C-2:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(NCO)(CN)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NCO)(CN){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2296	0.112	7	109.2296	0.013	7	109.2411	0.007	15	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:C-2:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(NC[6a]H)(CN)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(NC[6a]H)(CN){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.2532	0.065	4	109.2532	0.004	4	109.2411	0.007	15	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:N-2:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]NN)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NOO)(NN)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]NN)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NOO)(NN){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.4505	0.046	2	108.4505	0.002	2	108.4505	0.002	2	108.9856	0.478	178	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]CC)(H)2	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6]C[5,6]HH)(COO)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]CC)(H)2{1|Cl<1>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6]C[5,6]HH)(COO)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.9115	0.043	2	109.9115	0.002	2	109.9115	0.002	2	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO)2{1|C<3>,1|C<4>,1|H<1>,1|P<4>}	H(C[6]C[5,6]C[6]H)	109.7470	0.008	2	109.7858	0.002	4	109.6269	0.225	10	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5,6]C[6]H)	109.8245	0.030	2	109.7858	0.002	4	109.6269	0.225	10	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)2(CHH)(COO)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)2(CHH)(COO){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.0930	0.054	2	109.8950	0.056	4	109.6269	0.225	10	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)2(CHH)(COO)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2{2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)2(CHH)(COO){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.6970	0.083	2	109.8950	0.056	4	109.6269	0.225	10	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(COO)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]CC)(H)2{3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(COO)2{4|C<3>}	H(C[6]C[5,6]C[6]H)	108.7730	0.020	2	108.7730	0.000	2	109.6269	0.225	10	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CC)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6]HH)(COO)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CC)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6]HH)(COO)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2607	0.023	3	109.2607	0.001	3	109.2607	0.001	3	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.2815	0.023	2	108.2815	0.001	2	109.0013	0.701	20	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(COO)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(COO)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	107.2580	0.178	2	107.2580	0.032	2	109.0013	0.701	20	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(COO)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(COO)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9775	1.650	2	108.9775	2.721	2	109.0013	0.701	20	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2953	0.091	6	109.2953	0.008	6	109.0013	0.701	20	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)2(CHH)(CPW)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)2(CHH)(CPW){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.5650	0.068	4	109.5650	0.005	4	109.0013	0.701	20	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6]HH)(COO)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6]HH)(COO)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.8260	0.016	2	109.8260	0.000	2	109.0013	0.701	20	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)2{1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.6540	0.006	2	108.6540	0.000	2	109.0013	0.701	20	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:N-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]NN)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC[6]H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]NN)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC[6]H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9940	0.054	2	108.9940	0.003	2	108.9940	0.003	2	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[4x6]CC)(C[6]C[6]HH)(H)2	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6]HH)(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[4x6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6]HH)(COO)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1975	0.040	2	109.1975	0.002	2	109.1975	0.002	2	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]O[6]CH)(H)2	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6]HH)(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]O[6]CH)(H)2{1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6]HH)(COO)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	H(C[6]C[6]2H)	108.8780	0.000	1	108.8780	0.000	1	109.0808	0.012	15	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]O[6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6]HH)(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]O[6]HH)(H)2{1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6]HH)(COO)2{1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.0607	0.047	4	109.0607	0.002	4	109.0808	0.012	15	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]C[5,6]CC)(H)2	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6]C[6]HH)(COO)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[5,6]CC)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6]C[6]HH)(COO)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]2H)	109.1091	0.112	10	109.1091	0.012	10	109.0808	0.012	15	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0290	0.000	1	109.0290	0.000	1	109.1861	0.131	14	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CCN)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CCN)(COO){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.0060	0.000	1	109.0060	0.000	1	109.1861	0.131	14	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CC)(H)2	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CC)(H)2{1|H<1>,1|N<3>,2|C<2>,3|C<3>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(COO)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6]2H)	108.5490	0.006	2	108.5490	0.000	2	109.1861	0.131	14	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]CC)(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]CC)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(COO)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.3473	0.252	10	109.3473	0.063	10	109.1861	0.131	14	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:N-3:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]CN)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)(NCH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]CN)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)(NCH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.9055	2.371	2	109.9055	5.621	2	109.9055	5.621	2	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO)2{1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.7070	0.018	2	108.7070	0.000	2	109.0528	0.090	75	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]CC)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(COO)2{1|H<1>,5|C<3>}	H(C[6]C[6]2H)	108.5105	0.039	2	108.5105	0.002	2	109.0528	0.090	75	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	108.8700	0.100	2	108.8700	0.010	2	109.0528	0.090	75	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(COO)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	108.7453	0.056	3	108.7453	0.003	3	109.0528	0.090	75	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6]HH)2(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(COO)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.7880	0.000	1	108.7880	0.000	1	109.0528	0.090	75	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6]HH)2(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]HH)2(COO)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.7620	0.027	2	108.7620	0.001	2	109.0528	0.090	75	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8728	0.186	6	108.8728	0.034	6	109.0528	0.090	75	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]CC)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	108.7400	0.004	2	108.7400	0.000	2	109.0528	0.090	75	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CCO)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CCO)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	109.2740	0.016	2	109.2740	0.000	2	109.0528	0.090	75	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(COO)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9120	0.000	1	108.8877	0.001	3	109.0528	0.090	75	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(COO)2{1|H<1>,1|S<4>,2|C<3>}	H(C[6]C[6]2H)	108.8755	0.013	2	108.8877	0.001	3	109.0528	0.090	75	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.5960	0.000	1	108.5960	0.000	1	109.0528	0.090	75	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a]O[6]H)(C[6]C[6]HH)(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5a]O[6]H)(C[6]C[6]HH)(COO)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4925	0.011	2	109.4137	0.019	3	109.0528	0.090	75	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a]O[6]H)(C[6]C[6]HH)(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5a]O[6]H)(C[6]C[6]HH)(COO)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	109.2560	0.000	1	109.4137	0.019	3	109.0528	0.090	75	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O)(CCH){1|C<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5130	0.007	2	108.5130	0.000	2	109.0528	0.090	75	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(COO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2350	0.023	2	109.2350	0.001	2	109.0528	0.090	75	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(COO)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3280	0.021	2	109.3280	0.000	2	109.0528	0.090	75	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCN)(CHN)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CCN)(CHN){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8597	0.138	4	108.8597	0.019	4	109.0528	0.090	75	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCO)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CCO)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2002	0.104	10	109.2002	0.011	10	109.0528	0.090	75	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CHN)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CHN)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9937	0.081	3	108.9937	0.007	3	109.0528	0.090	75	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(COO)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3820	0.000	1	109.2167	0.111	9	109.0528	0.090	75	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(COO)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4985	0.016	2	109.2167	0.111	9	109.0528	0.090	75	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(COO)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1715	0.023	2	109.2167	0.111	9	109.0528	0.090	75	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(COO)2{1|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.0570	0.444	4	109.2167	0.111	9	109.0528	0.090	75	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCO)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCO)(COO){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3935	0.012	2	109.3935	0.000	2	109.0528	0.090	75	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.9940	0.010	2	108.9940	0.000	2	109.0528	0.090	75	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)2{1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.1112	0.062	4	109.1112	0.004	4	109.0528	0.090	75	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]O[6]CH)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(COO)2{1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6]2H)	109.5595	0.050	2	109.5595	0.003	2	109.0528	0.090	75	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4018	0.176	4	109.4018	0.031	4	109.0528	0.090	75	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CN)(H)2	C[6](C[6]C[6]HH)2(CC[6a]C)(NOO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]CN)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CC[6a]C)(NOO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2177	0.660	4	109.2177	0.436	4	108.6648	3.039	101	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CNO)(NCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CNO)(NCH){1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9370	0.007	2	108.9370	0.000	2	108.6648	3.039	101	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(NCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(NCH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7585	0.071	2	108.7585	0.005	2	108.6648	3.039	101	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(NCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(NCH){1|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.0940	1.253	2	108.0940	1.570	2	108.6648	3.039	101	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCC)(NHS)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCC)(NHS){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	106.5720	4.499	2	106.5720	20.238	2	108.6648	3.039	101	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[6a]C)(NOO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CC[6a]C)(NOO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3495	0.069	4	109.3495	0.005	4	108.6648	3.039	101	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CNO)(NCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CNO)(NCH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5920	0.006	2	109.0513	0.184	39	108.6648	3.039	101	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CNO)(NCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CNO)(NCH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0220	0.421	37	109.0513	0.184	39	108.6648	3.039	101	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(COO)(NCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(COO)(NCH){1|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4405	0.167	8	107.1656	10.527	20	108.6648	3.039	101	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(COO)(NCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(COO)(NCH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	105.6489	3.449	12	107.1656	10.527	20	108.6648	3.039	101	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(COO)(NHS)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(COO)(NHS){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2646	0.120	7	109.2646	0.014	7	108.6648	3.039	101	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CRuC)(NHS)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CRuC)(NHS){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1530	0.133	4	109.1530	0.018	4	108.6648	3.039	101	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(CNO)(NCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CNO)(NCH){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.1984	0.128	7	109.1984	0.016	7	108.6648	3.039	101	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CN)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CNO)(NCH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CN)(H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CNO)(NCH){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.1975	0.006	2	109.1975	0.000	2	108.6648	3.039	101	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CN)(H)2	C[6](C[6]C[6]HH)2(CNO)(NCH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CN)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(CNO)(NCH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5525	0.021	2	108.5525	0.000	2	108.6648	3.039	101	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CN)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(COO)(NOO)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CN)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(COO)(NOO){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6]2H)	109.6230	0.333	4	109.6230	0.111	4	108.6648	3.039	101	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:O-3:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[6a]N)(OCuH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC[6a]N)(OCuH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1263	0.182	7	109.1263	0.033	7	109.1218	0.015	20	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:O-3:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[6a]N)(OMnH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC[6a]N)(OMnH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1541	0.074	7	109.1541	0.005	7	109.1218	0.015	20	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:O-3:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[6a]N)(ONiH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC[6a]N)(ONiH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0788	0.086	6	109.0788	0.007	6	109.1218	0.015	20	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:S-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CS)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(SCO)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CS)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(SCO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7480	0.038	2	108.7480	0.001	2	108.7480	0.001	2	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:N-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]NN)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC[6]H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]NN)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC[6]H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1770	0.000	1	109.1770	0.000	1	109.2138	0.018	4	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]NN)(H)2	C[6](C[6]C[6]HH)2(NC[6]H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]NN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6]H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2260	0.164	3	109.2260	0.027	3	109.2138	0.018	4	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:C-3:	C[6]-4:	C[6](C[6]C[6]N[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(CHO)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]C)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(CHO){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	H(C[6]C[6]2H)	109.4260	1.243	8	109.2207	2.109	10	109.2207	2.109	10	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:C-3:	C[6]-4:	C[6](C[6]C[6]N[5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(CHO)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]C)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(CHO){2|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.3995	2.546	2	109.2207	2.109	10	109.2207	2.109	10	108.9646	1.328	282	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[6a]O)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[6a]O)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.4460	0.028	2	108.4460	0.001	2	108.4460	0.001	2	108.6687	0.099	27	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:C-3:C-4:	C[6]-4:	C[6](C[6]C[3,6]CC)(C[6]C[5,6]HH)(H)2	C[6](C[3,6]C[5,6]C[3]O[3])(C[6]C[6]HH)(CC[5a]O)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]CC)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[3,6]C[5,6]C[3]O[3])(C[6]C[6]HH)(CC[5a]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5800	0.004	2	108.5800	0.000	2	108.6593	0.009	4	108.6687	0.099	27	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:C-3:C-4:	C[6]-4:	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(CC[5a]O)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(CC[5a]O)(CH3){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7385	0.025	2	108.7385	0.001	2	108.6593	0.009	4	108.6687	0.099	27	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[5]O)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[5]O)(CH3){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.0635	0.069	2	108.0635	0.005	2	108.0635	0.005	2	108.6687	0.099	27	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CN[5]O)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CN[5]O)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6550	0.013	2	108.6550	0.000	2	108.8140	0.013	8	108.6687	0.099	27	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CN[6]O)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CN[6]O)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8670	0.064	6	108.8670	0.004	6	108.8140	0.013	8	108.6687	0.099	27	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[6a]O)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[6a]O)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3295	0.005	2	109.3295	0.000	2	108.6584	0.156	9	108.6687	0.099	27	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[6a]O)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CC[6a]O)(CH3){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.4847	0.166	4	108.4847	0.028	4	108.6584	0.156	9	108.6687	0.099	27	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[6a]S)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CC[6a]S)(CH3){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.4427	0.056	3	108.4427	0.003	3	108.6584	0.156	9	108.6687	0.099	27	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:3:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(C[6]C[6]2H)	C[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.9800	0.011	2	108.9800	0.000	2	108.9800	0.000	2	108.6687	0.099	27	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](B[6]C[6a]2C[6])(C[6]C[6,6]HP)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]B[6]HH)(PC[6a]3)(H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6]C[6,6]HP)(H)2{1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]B[6]HH)(PC[6a]3)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]B[6]C[6]H)	108.5895	0.067	2	108.5895	0.005	2	108.5895	0.005	2	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]CH)(PC[6a]3)(H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2{1|C<4>,3|H<1>,5|C<3>}	C[6](C[6]B[6]HH)(C[6]C[6]CH)(PC[6a]3)(H){1|C<4>,3|C<3>}	H(C[6]B[6]C[6]H)	108.8775	0.053	2	108.8775	0.003	2	109.5034	0.363	9	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC3)(H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC3)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]B[6]C[6]H)	108.9080	0.020	2	108.9080	0.000	2	109.5034	0.363	9	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC[6a]3)(H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC[6a]3)(H){2|H<1>,3|C<3>}	H(C[6]B[6]C[6]H)	110.1820	0.004	2	110.1820	0.000	2	109.5034	0.363	9	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](B[6]C[6a]2O[6])(C[6]C[6]HP)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC3)(H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2O[6])(C[6]C[6]HP)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC3)(H){1|O<2>,2|C<3>,2|C<4>}	H(C[6]B[6]C[6]H)	109.8653	0.218	3	109.8653	0.048	3	109.5034	0.363	9	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	B[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](B[6]C[6a]2C[6])(C[6]P[6]CH)(H)2	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(CH3)(H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6]P[6]CH)(H)2{1|H<1>,7|C<3>}	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(CH3)(H){8|C<3>}	H(C[6]B[6]C[6]H)	109.4330	0.010	2	109.4330	0.000	2	109.2210	0.135	3	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	B[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](B[6]C[6a]2O[6])(C[6]P[6]CH)(H)2	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(CH3)(H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2O[6])(C[6]P[6]CH)(H)2{1|C<4>,6|C<3>}	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(CH3)(H){1|H<1>,1|O<2>,7|C<3>}	H(C[6]B[6]C[6]H)	108.7970	0.000	1	108.7970	0.000	1	109.2210	0.135	3	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]CH)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(CCHO)(H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]CH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3,6,6]C[6]H)	108.8430	0.038	2	108.8430	0.001	2	108.8430	0.001	2	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(H)2	C[6](C[3]C[3]N[3]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[3]C[3]N[3]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,1|S<4>,3|H<1>}	H(C[6]C[3,6]C[6]H)	109.2373	0.032	4	109.2373	0.001	4	109.0733	0.144	6	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(H)2	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]HH)(C[6]C[6]CH)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[3,6]C[6]H)	108.7455	0.629	2	108.7455	0.395	2	109.0733	0.144	6	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5]C[6]H)(H)2	C[6](C[5]C[5]O[5]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5]C[6]H)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6](C[5]C[5]O[5]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|O<2>,4|H<1>}	H(C[6]C[3,6]C[6]H)	109.4485	0.037	2	109.4485	0.001	2	109.4485	0.001	2	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[3,6]HH)(CH3)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[3,6]HH)(CH3)(H){2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[3,6]C[6]H)	107.9430	0.045	2	107.9430	0.002	2	108.1835	0.078	4	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(CCCH)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CH)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(CCCH)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[3,6]C[6]H)	108.4240	0.004	2	108.4240	0.000	2	108.1835	0.078	4	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]CN)(CF3)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{1|H<1>,1|N<2>,4|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CN)(CF3)(H){2|C<4>,3|H<1>}	H(C[6]C[3,6]C[6]H)	107.7065	0.026	2	107.7065	0.001	2	108.7352	0.759	23	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]CO)(CH3)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{1|C<2>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CO)(CH3)(H){2|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	108.0700	0.007	2	108.0700	0.000	2	108.7352	0.759	23	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CClCC)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{2|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CClCC)(H){2|C<4>,3|H<1>}	H(C[6]C[3,6]C[6]H)	109.1780	0.042	2	109.1780	0.002	2	108.7352	0.759	23	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[3,6]C[6]H)	109.2343	0.110	4	109.2343	0.012	4	108.7352	0.759	23	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HH)(CH3)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HH)(CH3)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[3,6]C[6]H)	107.9400	0.025	2	107.9400	0.001	2	108.7352	0.759	23	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HH)(CH3)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HH)(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[3,6]C[6]H)	109.2438	1.742	4	109.2438	3.034	4	108.7352	0.759	23	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CC3)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CC3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	108.3125	0.489	2	108.3125	0.239	2	108.7352	0.759	23	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(CC3)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(CC3)(H){2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[3,6]C[6]H)	108.8295	0.227	2	108.8295	0.052	2	108.7352	0.759	23	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CC3)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CC3)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[3,6]C[6]H)	108.9005	0.081	2	108.9005	0.007	2	108.7352	0.759	23	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]FF)(CH3)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|F<1>,4|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]FF)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[3,6]C[6]H)	109.1230	0.000	1	109.1230	0.000	1	108.7352	0.759	23	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]N[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]N[6])(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[3x6]C[6]H)	109.0250	0.000	1	108.7654	0.224	5	108.7810	0.105	24	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]N[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]N[6])(C[6]C[6]CH)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[3x6]C[6]H)	108.7005	0.521	4	108.7654	0.224	5	108.7810	0.105	24	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[3x6]C[6]H)	108.6420	0.030	2	108.7940	0.018	6	108.7810	0.105	24	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[3x6]C[6]H)	108.9350	0.010	2	108.7940	0.018	6	108.7810	0.105	24	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]CH)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[3x6]C[6]H)	108.8050	0.047	2	108.7940	0.018	6	108.7810	0.105	24	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]N[6]O[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]N[6]O[6])(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[3x6]C[6]H)	108.6445	0.032	2	108.6445	0.001	2	108.7810	0.105	24	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6,6]CC)(CCHH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]CC)(CCHH)(H){2|C<4>,3|C<3>}	H(C[6]C[3x6]C[6]H)	108.3875	0.049	4	108.3875	0.002	4	108.7810	0.105	24	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[3x6]HH)(C[6]O[6]CC)(CCHH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[3x6]HH)(C[6]O[6]CC)(CCHH)(H){1|C<4>,2|C<3>}	H(C[6]C[3x6]C[6]H)	109.1364	0.181	5	109.1364	0.033	5	108.7810	0.105	24	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3x6]C[6,6a]C[3x6]N[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[3x6]N[6])(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<4>,2|C<4>}	H(C[6]C[3x6]C[6]H)	108.8160	0.042	2	108.8160	0.002	2	108.7810	0.105	24	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]ClC)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CH3)(Cl)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]ClC)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CH3)(Cl){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[4,6]C[6]H)	109.0370	0.010	2	109.0370	0.000	2	109.0370	0.000	2	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CHHN)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]CH)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CHHN)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[4,6]C[6]H)	110.0875	0.039	2	110.0875	0.002	2	109.6186	0.192	5	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[4,6]C[4]2C[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HO)(CCHO)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4]2C[6])(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HO)(CCHO)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]H)	109.3060	0.132	3	109.3060	0.017	3	109.6186	0.192	5	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6]C[6]CH)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[6]C[4x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[4x6]C[6]H)	108.5460	0.045	2	108.5925	0.008	8	108.5925	0.008	8	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6]C[6]CH)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[4x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[4x6]C[6]H)	108.4965	0.091	2	108.5925	0.008	8	108.5925	0.008	8	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6]C[6]CH)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6]C[6]CH)(H)2{2|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[4x6]C[6]H)	108.6637	0.035	4	108.5925	0.008	8	108.5925	0.008	8	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,3x6]C[3x6]C[5,6]N[5,6])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[3x6]C[5,6]N[5,6])(C[6]C[6]CH)(H)2{1|C<3>,4|H<1>,5|C<4>}	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|C<4>,1|H<1>,1|N<4>,2|C<3>}	H(C[6]C[5,3x6]C[6]H)	109.3550	0.000	1	109.1056	0.073	7	109.0552	0.065	9	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,3x6]C[3x6]C[5,6]N[5,6])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[3x6]C[5,6]N[5,6])(C[6]C[6]CH)(H)2{1|C<3>,4|H<1>,5|C<4>}	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[5,3x6]C[6]H)	109.3195	0.073	2	109.1056	0.073	7	109.0552	0.065	9	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,3x6]C[3x6]C[5,6]N[5,6])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[3x6]C[5,6]N[5,6])(C[6]C[6]CH)(H)2{1|Cl<1>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[5,3x6]C[6]H)	109.1320	0.103	2	109.1056	0.073	7	109.0552	0.065	9	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,3x6]C[3x6]C[5,6]N[5,6])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[3x6]C[5,6]N[5,6])(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[5,3x6]C[6]H)	108.7405	0.023	2	109.1056	0.073	7	109.0552	0.065	9	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,3x6]HH)(C[6]C[5,6,6]CC)(CCHH)(H)	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[6]C[6]CH)(H)2{1|O<1>,2|H<1>,2|O<2>,5|C<4>}	C[6](C[6]C[5,3x6]HH)(C[6]C[5,6,6]CC)(CCHH)(H){2|C<4>,3|C<3>}	H(C[6]C[5,3x6]C[6]H)	108.8790	0.016	2	108.8790	0.000	2	109.0552	0.065	9	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]N[5,6])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[5,5,3x6]C[6]H)	C[6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]N[5,6])(C[6]C[6]CH)(H)2{1|C<3>,3|H<1>,6|C<4>}	C[6](C[6]C[5,5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[5,5,3x6]C[6]H)	108.4497	2.337	3	108.4497	5.460	3	108.4497	5.460	3	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,5,4x6]C[5,5,6,6]C[5,3x6]N[5,6,6])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,5,4x6]HH)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[5,5,4x6]C[6]H)	C[6](C[5,5,4x6]C[5,5,6,6]C[5,3x6]N[5,6,6])(C[6]C[6]CH)(H)2{4|H<1>,7|C<4>}	C[6](C[6]C[5,5,4x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<4>,3|C<4>}	H(C[6]C[5,5,4x6]C[6]H)	108.7420	0.004	2	108.7420	0.000	2	108.7420	0.000	2	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[5,6,6]O[5,5]O[5,6])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[5,6,6]O[5,5]O[5,6])(C[6]C[6]CH)(H)2{1|S<4>,2|H<1>,4|C<4>}	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,5,6,6]C[6]H)	115.8000	0.892	2	115.8000	0.796	2	115.8000	0.796	2	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,5,6]C[3x5,6]C[5]O[5])(C[6]C[5,6]CH)(H)2	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[5,5,6]HH)(CH3)(H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[3x5,6]C[5]O[5])(C[6]C[5,6]CH)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[5,5,6]HH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,5,6]C[6]H)	109.5393	0.145	4	109.5393	0.021	4	109.5393	0.021	4	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[5,6,6]HH)(CH3)(H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[5,6]CH)(H)2{2|C<4>,3|C<3>,3|O<2>}	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[5,6,6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(C[6]C[5,6,6]C[6]H)	109.0475	0.013	2	109.0475	0.000	2	109.0475	0.000	2	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[3x5,6,6]C[5,6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]HH)(CH3)(H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]H)(C[6]C[6]CH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]HH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.1185	0.018	2	109.1185	0.000	2	108.7952	0.054	48	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]CH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	109.0250	0.023	2	109.0250	0.001	2	108.7952	0.054	48	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]N[5,6,6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(CH3)(H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]N[5,6,6]H)(C[6]C[6]CH)(H)2{1|I<1>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	108.7231	0.147	28	108.7231	0.022	28	108.7952	0.054	48	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]CC)(CCHH)(H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]CC)(CCHH)(H){1|C<4>,4|C<3>}	H(C[6]C[5,6,6]C[6]H)	108.7380	0.346	8	108.7380	0.120	8	108.7952	0.054	48	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]O[6]CC)(CCHH)(H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]CH)(H)2{2|C<3>,2|O<2>,4|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]O[6]CC)(CCHH)(H){1|C<3>,1|C<4>,1|O<2>}	H(C[6]C[5,6,6]C[6]H)	109.2970	0.000	1	109.2970	0.000	1	108.7952	0.054	48	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.1050	0.059	2	109.1050	0.004	2	108.7952	0.054	48	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6,6]N[5,6]O[5,6]C[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(CH3)(H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]N[5,6]O[5,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(CH3)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.2060	0.000	1	108.8450	0.045	5	108.7952	0.054	48	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6,6]N[5,6]O[5,6]C[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(CH3)(H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]N[5,6]O[5,6]C[6])(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(CH3)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.7548	0.073	4	108.8450	0.045	5	108.7952	0.054	48	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(Br)(H)	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[5,6]C[6]Br)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(Br)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]Br)	107.9517	0.063	3	107.9517	0.004	3	107.9517	0.004	3	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(Cl)(H)	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[5,6]C[6]Cl)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(Cl)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]Cl)	108.1765	0.093	2	108.1765	0.009	2	108.1765	0.009	2	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[3,6]CH)(H)2	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]HH)(CCCH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[3,6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0616	0.208	7	109.0616	0.043	7	109.0616	0.043	7	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]O)(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]O[5]O)(C[6]C[5,6]CH)(H)2{1|H<1>,5|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(CH3)(H){1|H<1>,2|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.2029	0.126	8	109.2029	0.016	8	109.0381	0.210	28	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[5,6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]CH)(H)2{1|O<2>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[5,6]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.4070	0.020	2	108.4070	0.000	2	109.0381	0.210	28	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[5,6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]CH)(H)2{1|C<4>,4|C<3>}	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[5,6]HH)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.6670	0.076	2	109.6670	0.006	2	109.0381	0.210	28	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5,5]C[6]O[5])(C[6]C[5,6]HH)(CCCH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]CH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5]C[6]O[5])(C[6]C[5,6]HH)(CCCH)(H){1|C<3>,3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	108.3005	0.022	2	108.3005	0.000	2	109.0381	0.210	28	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5,6]2C)(C[6]C[5,6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[5,6]CH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[5,6]HH)(CH3)(H){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.1052	0.064	4	109.1052	0.004	4	109.0381	0.210	28	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[5,6]CH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(CH3)(H){1|H<1>,2|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.1960	0.017	2	109.4350	0.077	4	109.0381	0.210	28	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[5,6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(CH3)(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.6740	0.034	2	109.4350	0.077	4	109.0381	0.210	28	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[5,6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(CH3)(H){1|H<1>,2|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	108.4295	0.023	4	108.4295	0.001	4	109.0381	0.210	28	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[5,6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]CH)(H)2{2|H<1>,5|C<4>}	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[5,6]HH)(CH3)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.4075	0.005	2	109.4075	0.000	2	109.0381	0.210	28	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HS)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(SC[6a]OO)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HS)(H)2{1|N<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(SC[6a]OO)(H){3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	109.7555	0.047	2	109.7555	0.002	2	109.7555	0.002	2	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]CH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.6650	0.035	2	108.6650	0.001	2	109.0405	0.086	6	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2O[5])(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2O[5])(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(CH3)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.2283	0.033	4	109.2283	0.001	4	109.0405	0.086	6	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]ClC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(Cl)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]ClC)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(Cl){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.4775	0.152	2	108.4775	0.023	2	108.4775	0.023	2	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:F-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CF)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CClHH)(F)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CF)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CClHH)(F){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.0665	0.146	2	108.0665	0.021	2	108.0665	0.021	2	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HI)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2{1|I<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HI)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.7980	0.000	1	108.7980	0.000	1	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.8621	2.043	10	108.8334	1.978	20	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.8065	0.044	8	108.8334	1.978	20	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.7975	0.035	2	108.8334	1.978	20	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)2(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)2(CH3)(H){1|H<1>,1|N<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.3410	0.073	4	108.3410	0.005	4	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(CCHH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]CH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(CCHH)(H){1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.7520	0.000	1	108.7437	0.000	3	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(CCHH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]CH)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(CCHH)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.7395	0.015	2	108.7437	0.000	3	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6]CH)(H)2{1|I<1>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2756	0.176	30	109.2756	0.031	30	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	111.8775	4.982	2	109.2668	4.714	10	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.6710	0.008	2	109.2668	4.714	10	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H){1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.4183	0.086	4	109.2668	4.714	10	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.9490	0.400	2	109.2668	4.714	10	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.7430	0.000	1	108.7430	0.000	1	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)2(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)2(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]H)	108.6363	0.136	8	108.6363	0.019	8	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]2)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)2(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]2)(C[6]C[6]CH)(H)2{2|H<1>,5|C<4>}	C[6](C[6]C[5,6]HH)2(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.2798	0.039	8	109.2798	0.001	8	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]CH)(H)2{3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.4550	0.059	2	109.4550	0.004	2	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6a]O[5]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6a]O[5]O)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(CH3)(H){2|C<3>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.8725	0.030	2	109.8725	0.001	2	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.1125	0.222	4	109.0600	0.036	6	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.9550	0.007	2	109.0600	0.036	6	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.6300	0.010	2	109.5528	0.149	12	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.4557	0.113	8	109.5528	0.149	12	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.8635	1.126	2	109.5528	0.149	12	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(CCCH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(CCCH)(H){2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.2880	0.045	4	109.2880	0.002	4	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]FeH)(CC[6a]FeO)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]CH)(H)2{1|Fe<6>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]FeH)(CC[6a]FeO)(H){1|Fe<7>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.0433	0.117	4	109.0433	0.014	4	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.7590	0.000	1	109.0961	0.901	19	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.5935	1.508	6	109.0961	0.901	19	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.7300	0.285	10	109.0961	0.901	19	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{4|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.6030	0.815	2	109.0961	0.901	19	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.0710	2.056	2	108.0710	4.228	2	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HW)(CF3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,1|W<7>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HW)(CF3)(H){2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	107.9100	0.467	4	107.9100	0.218	4	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0470	0.013	4	109.0470	0.000	4	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.1520	0.016	2	109.1520	0.000	2	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	118.4705	4.781	2	118.4705	22.856	2	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	109.2140	0.013	2	108.9930	0.065	4	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.7720	0.016	2	108.9930	0.065	4	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	110.3385	0.023	2	110.3385	0.001	2	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	108.9250	0.025	2	109.8603	1.196	4	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]CH)(H)2{1|S<4>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]H)	110.7955	0.299	2	109.8603	1.196	4	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.4735	0.903	2	110.4735	0.815	2	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]CH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0855	0.545	2	109.0855	0.297	2	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|C<2>,1|N<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.3550	0.137	8	108.0696	0.116	19	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	107.5933	0.300	3	108.0696	0.116	19	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|Ga<4>,1|N<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.0265	0.047	2	108.0696	0.116	19	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|N<3>,1|P<3>,3|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	107.7210	0.062	3	108.0696	0.116	19	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|Ni<4>,1|N<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.0000	0.000	1	108.0696	0.116	19	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{2|N<3>,3|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.2430	0.049	2	108.0696	0.116	19	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CHHO)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|C<4>,2|N<3>,2|O<1>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CHHO)(H){2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.4915	0.169	6	109.4915	0.029	6	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(H)2{1|C<4>,4|H<1>,5|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.7490	0.070	3	108.7490	0.005	3	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]CH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3315	0.096	4	109.3315	0.009	4	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2{1|N<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.0875	0.023	2	109.0875	0.001	2	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.1405	0.149	4	109.1405	0.022	4	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CCHO)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CCHO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.0460	0.000	1	109.0460	0.000	1	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HH)(CCHH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HH)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	H(C[6]C[5,6]C[6]H)	108.6930	0.000	1	108.6930	0.000	1	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,5]C[5]C[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,5]C[5]C[6])(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.4223	0.058	4	108.4223	0.003	4	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,5]C[6]N[5])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,5]C[6]N[5])(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[5,6]C[6]H)	108.7287	1.165	4	108.7287	1.357	4	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(H){1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.8825	0.033	2	108.8825	0.001	2	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.9050	0.011	2	108.9050	0.000	2	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)2(CCHH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)2(CCHH)(H){1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.7425	2.356	4	109.7425	5.552	4	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)2(CHHO)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|B<4>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)2(CHHO)(H){1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.4673	0.044	3	108.4673	0.002	3	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	110.2355	0.353	4	110.2355	0.125	4	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(CH3)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.5063	0.129	6	109.5063	0.017	6	109.1305	1.707	231	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]2H)(H)2	C[6](C[6]C[6a]S[6]2)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]2H)(H)2{2|C<3>,2|C<4>,2|H<1>,2|S<2>}	C[6](C[6]C[6a]S[6]2)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	110.4970	0.027	4	110.4970	0.001	4	110.4970	0.001	4	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HN)(H)2	C[6](C[6]C[5,6]HH)2(NH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HN)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)2(NH3)(H){1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.5727	0.008	3	108.5727	0.000	3	108.5727	0.000	3	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.1947	0.139	3	109.1947	0.019	3	109.1947	0.019	3	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]CH)(H)(I)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HI)(CH3)(H)	H(C[6]C[5,6]C[6]I)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]CH)(H)(I){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HI)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]I)	108.4660	0.000	1	108.4660	0.000	1	107.7685	0.155	6	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)(I)	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[5,6]C[6]I)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)(I){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]I)	107.6290	0.218	5	107.6290	0.048	5	107.7685	0.155	6	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:C-4:Br-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]BrC)(Br)(H)	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(CH3)(Br)	H(C[6]C[6,6]C[6]Br)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]BrC)(Br)(H){2|H<1>,4|C<4>}	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(CH3)(Br){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]Br)	107.5260	0.000	1	107.5260	0.000	1	107.5260	0.000	1	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[3,5,6]CH)(H)2	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[3,5,6]CH)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6]C[6,6]HH)(CH3)(H){1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8050	0.000	1	108.8050	0.000	1	108.8050	0.000	1	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x4]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3x4]C[6]H)(H)2	C[6](C[3x4]C[4,4]3)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3x4]C[6]H)(H)2{4|H<1>,7|C<4>}	C[6](C[3x4]C[4,4]3)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){3|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	108.6480	1.205	2	108.6480	1.452	2	108.6480	1.452	2	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]CH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6]HH)(CCCH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]CH)(H)2{2|C<4>,3|H<1>,3|O<2>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.3195	0.025	2	108.3195	0.001	2	108.3195	0.001	2	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H){1|C<2>,1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.3170	0.027	2	108.3170	0.001	2	108.6447	0.300	7	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H){1|C<2>,1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.4360	0.025	2	108.9300	0.342	4	108.6447	0.300	7	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H){1|C<2>,1|H<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]H)	108.4240	0.011	2	108.9300	0.342	4	108.6447	0.300	7	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.1590	0.000	1	108.1590	0.000	1	108.6447	0.300	7	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6]S[6]2)(C[6]C[5]C[6]H)(H)2	C[6](C[5]C[5]O[5]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]S[6]2)(C[6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|S<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9585	0.021	2	108.9585	0.000	2	108.9585	0.000	2	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0785	0.028	2	109.2373	1.083	8	108.9018	0.498	26	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(CH3)(H){4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.7690	2.604	2	109.2373	1.083	8	108.9018	0.498	26	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]CH)(H)2{4|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(CH3)(H){4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0507	0.126	4	109.2373	1.083	8	108.9018	0.498	26	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1300	0.056	6	109.1300	0.003	6	108.9018	0.498	26	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(CCCH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(H)2{2|C<4>,3|H<1>,3|O<2>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(CCCH)(H){1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.1878	0.023	6	108.1878	0.001	6	108.9018	0.498	26	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CH3)(H){2|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3750	0.011	2	109.3750	0.000	2	108.9018	0.498	26	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7230	0.032	4	108.7230	0.001	4	108.9018	0.498	26	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[5]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[5]S[5]2C)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[5]C[6]H)(H)2{1|H<1>,1|N<3>,2|C<4>,2|S<2>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[5]S[5]2C)(C[6]C[6]CH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.6530	0.397	2	108.6530	0.158	2	108.6530	0.158	2	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6]C[3x6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)2(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6]C[3x6]H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.5935	1.179	2	108.5935	1.389	2	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1455	0.019	2	109.1455	0.000	2	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.6810	0.000	1	108.6993	0.231	14	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<4>,2|C<4>}	H(C[6]C[6,6]C[6]H)	107.6900	0.035	2	108.6993	0.231	14	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8480	0.000	1	108.6993	0.231	14	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.7570	0.368	4	108.6993	0.231	14	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9057	0.042	4	108.6993	0.231	14	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.1150	0.013	2	108.6993	0.231	14	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[3x6]HS)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6](C[6]C[3x6]HS)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	107.4185	1.956	6	107.4185	3.826	6	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9665	0.074	2	108.9977	0.006	7	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9563	0.042	3	108.9977	0.006	7	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.0910	0.014	2	108.9977	0.006	7	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|C<4>,1|H<1>,1|N<4>,2|C<3>}	H(C[6]C[6,6]C[6]H)	108.9110	0.030	2	108.7569	0.026	7	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6822	0.169	4	108.7569	0.026	7	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7470	0.000	1	108.7569	0.026	7	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CH3)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2700	0.024	2	109.2700	0.001	2	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3205	0.603	2	109.3205	0.364	2	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)2(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)2(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9030	0.073	4	108.9030	0.005	4	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]N[5,6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)2(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]N[5,6]H)(C[6]C[6]CH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)2(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	107.9295	0.480	4	107.9295	0.230	4	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]N[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)2(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]N[6]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)2(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0535	0.545	2	109.0535	0.297	2	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.1940	0.180	4	109.1940	0.032	4	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,5,4x6]HH)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[5,5,4x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<4>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.3970	0.000	1	109.3970	0.000	1	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(H){1|C<2>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.2630	0.000	1	108.2630	0.000	1	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9145	0.037	2	108.9145	0.001	2	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.4885	0.016	2	109.6293	0.012	6	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]CH)(H)2{3|H<1>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H){1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.6997	0.019	4	109.6293	0.012	6	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]N[6]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]N[6]O)(C[6]C[6]CH)(H)2{2|H<1>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	110.1975	0.845	2	110.1975	0.714	2	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]CH)(H)2{2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.5655	0.827	2	109.5655	0.683	2	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)2(CCHH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1160	0.035	2	109.1160	0.001	2	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CCHH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	110.0430	0.330	4	110.0430	0.109	4	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCCH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCCH)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0425	0.032	2	109.0425	0.001	2	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1080	0.037	3	109.1080	0.001	3	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5130	0.000	1	109.5130	0.000	1	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1343	0.116	6	108.5606	0.279	33	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.7760	0.008	2	108.5606	0.279	33	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.0780	0.971	4	108.5606	0.279	33	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,2|O<1>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.5002	0.086	4	108.5606	0.279	33	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,2|O<1>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){1|C<4>,1|I<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	107.9530	0.006	2	108.5606	0.279	33	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,2|O<1>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){1|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	108.2334	0.117	9	108.5606	0.279	33	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,2|O<1>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.3038	0.364	6	108.5606	0.279	33	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CC[5]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{2|O<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CC[5]HH)(H){1|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	108.4866	0.269	5	108.4866	0.072	5	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CCCO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CCCO)(H){1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	107.3550	0.147	2	107.3550	0.022	2	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	108.3620	0.000	1	108.3620	0.000	1	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6367	0.164	3	108.6367	0.027	3	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9475	0.015	2	108.9475	0.000	2	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CPdCC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CPdCC)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.5665	0.243	4	108.5665	0.059	4	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6,6]C[6]H)	108.7942	0.264	6	108.7942	0.070	6	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(CCHH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	107.7300	0.000	1	107.7300	0.000	1	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CC3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CC3)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8553	0.182	9	108.8553	0.033	9	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9892	0.086	4	108.9892	0.007	4	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.4620	0.000	1	109.4620	0.000	1	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]FF)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<2>,2|F<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]FF)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1902	0.232	4	109.1902	0.054	4	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9560	0.016	2	108.9560	0.000	2	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9925	0.176	4	108.9925	0.031	4	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCO)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.6087	0.177	6	108.6087	0.031	6	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.6600	0.024	2	108.8346	0.026	5	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9425	0.011	2	108.8346	0.026	5	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9680	0.000	1	108.8346	0.026	5	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1534	0.128	27	109.0800	0.026	44	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.1014	0.050	5	109.0800	0.026	44	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9668	0.112	4	109.0800	0.026	44	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7763	0.096	4	109.0800	0.026	44	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9580	0.049	2	109.0800	0.026	44	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9905	0.035	2	109.0800	0.026	44	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CCCH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|H<1>,2|O<2>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CCCH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1880	0.011	2	109.1880	0.000	2	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)2(CC3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6]C[6,6]HH)2(CC3)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.3470	0.177	4	108.0487	2.107	8	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)2(CC3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6,6]HH)2(CC3)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	107.7505	2.156	4	108.0487	2.107	8	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)2(CCHH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|B<4>,1|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)2(CCHH)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1983	1.453	8	109.1186	1.906	9	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)2(CCHH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)2(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4810	0.000	1	109.1186	1.906	9	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)2(CC[6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)2(CC[6]HH)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9665	0.306	4	108.9665	0.093	4	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)2(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6]C[6,6]HH)2(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.5675	0.128	6	108.6132	0.019	8	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)2(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.7505	0.029	2	108.6132	0.019	8	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8282	0.347	20	108.8158	0.098	25	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.7666	0.103	5	108.8158	0.098	25	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6]CH)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<2>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.0140	0.023	2	109.0140	0.001	2	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9425	0.009	2	109.0821	0.080	11	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8930	0.014	2	109.0821	0.080	11	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0015	0.022	2	109.0821	0.080	11	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8830	0.000	1	109.0821	0.080	11	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3365	0.354	4	109.0821	0.080	11	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CC3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CC3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0115	0.033	2	109.0115	0.001	2	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.6160	0.833	4	109.6012	0.297	8	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.5865	0.019	4	109.6012	0.297	8	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.4560	0.000	1	110.3004	4.371	5	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	110.7615	2.100	4	110.3004	4.371	5	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CO)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CO)(CH3)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.9915	0.045	2	109.9915	0.002	2	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]Si[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(CC[6a]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]Si[6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(CC[6a]HH)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6,6]C[6]H)	109.0530	0.000	1	109.0530	0.000	1	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4195	0.035	2	109.4195	0.001	2	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CHHS)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|N<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CHHS)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2215	0.026	2	109.2215	0.001	2	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)2(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)2(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.0485	0.049	2	109.0485	0.002	2	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CHHO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CHHO)(H){1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.8030	0.558	4	108.8030	0.311	4	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4590	0.034	2	108.4590	0.001	2	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]CH)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.2910	0.021	2	108.2910	0.000	2	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)(H)2{4|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.7250	0.042	2	108.7250	0.002	2	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0980	0.434	2	109.0980	0.188	2	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]CH)(H)2{1|N<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(CH3)(H){1|S<4>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.5650	0.695	4	108.5650	0.483	4	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CHHO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]CH)(H)2{1|C<4>,2|N<3>,2|O<1>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CHHO)(H){2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.4790	0.000	1	109.4790	0.000	1	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6]N[6]O[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]N[6]O[6])(C[6]C[6]CH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.6680	0.000	1	108.6680	0.000	1	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	108.8375	0.465	6	108.8011	0.159	8	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]CH)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	108.6920	0.024	2	108.8011	0.159	8	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]CH)(H)2{1|O<1>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|S<2>,1|S<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8210	0.092	7	108.8210	0.008	7	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)2(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(CH3)(H){1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.5435	0.011	2	108.6150	0.015	3	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)2(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)2(CH3)(H){1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.7580	0.000	1	108.6150	0.015	3	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)2(CHHO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(CHHO)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.5085	0.095	4	108.5085	0.009	4	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1410	2.063	2	109.1193	0.852	6	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0980	0.018	2	109.1193	0.852	6	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1190	0.024	2	109.1193	0.852	6	108.8836	0.492	357	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[4]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4]C[6]H)(H)2	C[6](C[6]C[6,6]HH)2(C[4]C[4]2Fe)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4]C[6]H)(H)2{1|Fe<7>,4|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)2(C[4]C[4]2Fe)(H){2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.5437	0.116	27	108.5437	0.014	27	108.5437	0.014	27	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	C[6](C[6]C[6,6]HH)2(C[5]C[5]2Cl)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{1|Cl<1>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)2(C[5]C[5]2Cl)(H){2|H<1>,3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.5293	0.323	4	108.5293	0.104	4	108.5789	0.138	18	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	C[6](C[6]C[6,6]HH)2(C[5]C[5]2H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,7|H<1>}	C[6](C[6]C[6,6]HH)2(C[5]C[5]2H)(H){2|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.6529	0.456	7	108.6264	0.175	11	108.5789	0.138	18	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	C[6](C[6]C[6,6]HH)2(C[5]C[5]2H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,7|H<1>}	C[6](C[6]C[6,6]HH)2(C[5]C[5]2H)(H){2|H<1>,3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.5800	0.404	4	108.6264	0.175	11	108.5789	0.138	18	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	C[6](C[6]C[6,6]HH)2(C[5]C[5]2O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)2(C[5]C[5]2O)(H){2|H<1>,3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.4710	0.321	3	108.4710	0.103	3	108.5789	0.138	18	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]O[6]N)(C[6]C[6,6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6]C[6]O[6]N)(C[6]C[6,6]HH)2(H){1|C<3>,1|N<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2827	2.781	4	109.2827	7.731	4	109.2827	7.731	4	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC3)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.6640	0.042	4	109.6640	0.002	4	109.6640	0.002	4	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)(H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(SC[6a]OO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(SC[6a]OO)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.4334	0.052	8	109.4334	0.003	8	109.4334	0.003	8	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SiH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SiC[6a]CC)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SiH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SiC[6a]CC)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.9770	0.018	2	108.9770	0.000	2	108.9770	0.000	2	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]CH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(CH3)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]CH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1180	0.926	2	109.1180	0.858	2	109.1180	0.858	2	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[5,6]-4:C[6]-4:C-4:Br-1:	C[6]-4:	C[6](C[6]C[5,6]BrC)(C[6]C[6]HH)(Br)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]BrH)(CH3)(Br)	H(C[6]C[6]2Br)	C[6](C[6]C[5,6]BrC)(C[6]C[6]HH)(Br)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]BrH)(CH3)(Br){1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2Br)	108.2460	0.000	1	108.2460	0.000	1	108.2460	0.000	1	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6]CH)(Br)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CHHN)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6]CH)(Br)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CHHN)(H){2|C<3>,3|H<1>,3|O<2>}	H(C[6]C[6]2Br)	108.1665	0.087	2	108.1665	0.008	2	108.1665	0.008	2	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(CH3)(Cl)	H(C[6]C[6]2Br)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(CH3)(Cl){1|C<4>,4|H<1>}	H(C[6]C[6]2Br)	107.8230	0.000	1	107.8230	0.000	1	108.3193	0.193	3	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(CHHO)(Cl)	H(C[6]C[6]2Br)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(CHHO)(Cl){1|C<4>,4|H<1>}	H(C[6]C[6]2Br)	108.5675	0.127	2	108.5675	0.016	2	108.3193	0.193	3	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(Br)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]BrH)(CH3)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(Br)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]BrH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2Br)	108.8320	0.279	2	108.8320	0.078	2	108.8320	0.078	2	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(CH3)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(Cl)(H){1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(CH3)(H){3|C<4>,5|H<1>}	H(C[6]C[6]2Cl)	107.9673	0.231	3	107.9673	0.053	3	107.9673	0.053	3	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CH3)(Cl)	H(C[6]C[6]2Cl)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(Cl)(H){1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CH3)(Cl){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2Cl)	106.9910	0.000	1	106.9910	0.000	1	106.9910	0.000	1	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]CO)(CH3)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(Cl)(H){1|O<2>,4|C<4>}	C[6](C[6]C[6]ClH)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2Cl)	108.0440	0.000	1	108.0440	0.000	1	107.9708	0.189	4	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]N[6]CH)(CCHH)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(Cl)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]N[6]CH)(CCHH)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2Cl)	107.3780	0.000	1	107.3780	0.000	1	107.9708	0.189	4	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(Cl)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2Cl)	108.4240	0.000	1	108.4240	0.000	1	107.9708	0.189	4	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(Cl)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2Cl)	108.0370	0.000	1	108.0370	0.000	1	107.9708	0.189	4	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:C-4:C-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H)	C[6](C[6]C[6]FH)2(CCHN)(C)	H(C[6]C[6]2F)	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]FH)2(CCHN)(C){1|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]2F)	109.0885	0.524	2	109.0885	0.275	2	109.0885	0.275	2	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(NCHH)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(F)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(NCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2F)	109.3620	0.000	1	109.3620	0.000	1	109.3620	0.000	1	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	B-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	C[6](BC[5]C[6]Cl)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](BC[5]C[6]Cl)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1375	0.196	4	109.1375	0.038	4	109.0873	0.018	14	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	B-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	C[6](BC[6a]C[6]F)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](BC[6a]C[6]F)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0672	0.111	10	109.0672	0.012	10	109.0873	0.018	14	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	B[4]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]B[4]C[6]H)(C[6]C[6]HH)(H)2	C[6](B[4]C[6]N[4]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]B[4]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[6](B[4]C[6]N[4]2)(C[6]C[6]HH)2(H){2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.1017	0.107	8	109.1017	0.011	8	109.1017	0.011	8	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	B[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](B[5]C[5,6a]C[6]N[5])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](B[5]C[5,6a]C[6]N[5])(C[6]C[6]HH)2(H){3|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.0150	0.156	8	109.0057	0.030	16	109.0057	0.030	16	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	B[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](B[5]C[5,6a]C[6]N[5])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,4|H<1>}	C[6](B[5]C[5,6a]C[6]N[5])(C[6]C[6]HH)2(H){2|C<3>,5|H<1>,6|C<4>}	H(C[6]C[6]2H)	108.9964	0.201	8	109.0057	0.030	16	109.0057	0.030	16	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	B[5a]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](B[5a]C[5a]N[5a]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](B[5a]C[5a]N[5a]C[6])(C[6]C[6]HH)2(H){1|N<2>,1|N<3>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.0060	0.159	3	109.2279	0.073	7	109.1256	0.036	34	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	B[5a]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](B[5a]C[5a]N[5a]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](B[5a]C[5a]N[5a]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|N<2>,1|N<3>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3942	0.207	4	109.2279	0.073	7	109.1256	0.036	34	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	B[5a]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](B[5a]N[5,5a]N[5a]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[6](B[5a]N[5,5a]N[5a]C[6])(C[6]C[6]HH)2(H){1|B<4>,1|C<3>,1|N<2>,1|N<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.1826	0.122	8	109.1678	0.011	15	109.1256	0.036	34	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	B[5a]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](B[5a]N[5,5a]N[5a]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[6](B[5a]N[5,5a]N[5a]C[6])(C[6]C[6]HH)2(H){1|B<4>,1|N<3>,2|N<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.1509	0.085	7	109.1678	0.011	15	109.1256	0.036	34	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	B[5a]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2	C[6](B[5a]N[5,5a]O[5a]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](B[5a]N[5,5a]O[5a]C[6])(C[6]C[6]HH)2(H){1|N<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.0132	0.174	12	109.0132	0.030	12	109.1256	0.036	34	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](CB[6]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](CB[6]C[6]C)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3633	0.157	6	109.3633	0.025	6	109.3633	0.025	6	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3,5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CCCH)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.9690	0.057	2	108.9690	0.003	2	108.8415	0.342	15	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3,5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CH3)(H){1|C<3>,1|S<4>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.7070	0.214	3	108.8218	0.396	13	108.8415	0.342	15	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3,5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CH3)(H){3|C<4>,6|H<1>}	H(C[6]C[6]2H)	108.8563	0.715	10	108.8218	0.396	13	108.8415	0.342	15	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]CH)(C[6]C[5,6]HN)(H)2	C[6](C[3,6]C[3,5,6]O[3]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]CH)(C[6]C[5,6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,5,6]O[3]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	109.5470	0.881	2	109.5470	0.776	2	109.1376	0.706	22	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CC3)(H){4|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.0235	0.012	2	109.0235	0.000	2	109.1376	0.706	22	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0780	0.376	2	108.9883	0.787	12	109.1376	0.706	22	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CCCH)(H){3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9704	0.972	10	108.9883	0.787	12	109.1376	0.706	22	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4360	0.047	2	109.4360	0.002	2	109.1376	0.706	22	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(CCHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(CCHO)(H){1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1455	2.077	2	109.1455	4.313	2	109.1376	0.706	22	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(C[6]C[6]2H)	109.2090	0.000	1	109.2090	0.000	1	109.1376	0.706	22	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]CH)(C[6]O[6]HH)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]CH)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	H(C[6]C[6]2H)	109.6540	0.000	1	109.6540	0.000	1	109.1376	0.706	22	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6]2H)	110.9090	6.884	2	108.7393	5.886	12	108.8373	5.042	14	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	106.8430	0.150	2	108.7393	5.886	12	108.8373	5.042	14	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H){3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.1780	0.004	2	108.7393	5.886	12	108.8373	5.042	14	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6]2H)	108.9040	0.017	2	108.7393	5.886	12	108.8373	5.042	14	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8008	0.083	4	108.7393	5.886	12	108.8373	5.042	14	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3]C[6]H)(C[6]N[6]CH)(H)2	C[6](C[3]C[3]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]H)(C[6]N[6]CH)(H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6](C[3]C[3]2H)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	H(C[6]C[6]2H)	109.4255	0.005	2	109.4255	0.000	2	108.8373	5.042	14	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x4]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3x4]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[3x4]C[4,4]3)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3x4]C[6]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[6](C[3x4]C[4,4]3)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){3|C<4>,9|H<1>}	H(C[6]C[6]2H)	109.2060	0.231	2	109.2060	0.053	2	109.2060	0.053	2	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3x6]CH)(C[6]C[3x6]HH)(H)2	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CH)(C[6]C[3x6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1535	0.032	2	109.1535	0.001	2	109.0794	0.051	5	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3x6]CH)(C[6]C[3x6]HH)(H)2	C[6](C[3x6]C[5,4x6]N[3x6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CH)(C[6]C[3x6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[3x6]C[5,4x6]N[3x6]H)(C[6]C[6]HH)(CCCH)(H){2|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.6810	0.000	1	108.6810	0.000	1	109.0794	0.051	5	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2045	0.008	2	109.2045	0.000	2	109.0794	0.051	5	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[6,6,6a]C[6,6]O[6,6])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[3x6]C[6,6,6a]C[6,6]O[6,6])(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.2296	0.152	7	109.2296	0.023	7	109.2071	0.019	9	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[6,6]2O[6,6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[3x6]C[6,6]2O[6,6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.1285	0.022	2	109.1285	0.000	2	109.2071	0.019	9	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6]C[3x6]HS)(C[6]C[6,6]HH)(H)2	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]HH)(SC[6a]OO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HS)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]HH)(SC[6a]OO)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	106.9440	0.465	2	106.9440	0.216	2	106.9440	0.216	2	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[4,6]CH)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(CH3)(H){1|S<4>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8030	0.024	2	108.8030	0.001	2	108.8030	0.001	2	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[4]B[5]C[4]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2{1|B<3>,3|C<4>,4|H<1>}	C[6](C[4]B[5]C[4]2)(C[6]C[6]HH)2(H){2|C<4>,2|O<2>,8|H<1>}	H(C[6]C[6]2H)	109.3131	0.089	17	109.3131	0.008	17	109.2445	0.501	45	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[4]C[4]N[4]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[4]C[4]N[4]H)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.0104	1.868	7	109.1109	2.116	11	109.2445	0.501	45	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[4]C[4]N[4]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[4]C[4]N[4]H)(C[6]C[6]HH)2(H){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2867	0.099	4	109.1109	2.116	11	109.2445	0.501	45	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[4]C[4]O[4]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[4]C[4]O[4]H)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2040	0.081	4	109.2040	0.007	4	109.2445	0.501	45	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[4]C[4]P[4]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2{1|P<4>,2|C<4>,5|H<1>}	C[6](C[4]C[4]P[4]H)(C[6]C[6]HH)2(H){1|B<4>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.3138	0.146	5	109.2802	0.038	13	109.2445	0.501	45	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[4]C[4]P[4]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2{1|P<4>,2|C<4>,5|H<1>}	C[6](C[4]C[4]P[4]H)(C[6]C[6]HH)2(H){1|Ru<9>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.2593	0.227	8	109.2802	0.038	13	109.2445	0.501	45	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<4>,3|O<2>,4|H<1>}	H(C[6]C[6]2H)	108.7225	0.036	4	108.7225	0.001	4	108.7225	0.001	4	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]CH)(C[6]C[5,6,6]HH)(H)2	C[6](C[5,5,6]C[5,5,6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]CH)(C[6]C[5,6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,5,6]C[5,5,6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H){1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6890	0.000	1	108.6890	0.000	1	109.1997	0.196	3	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]CH)(C[6]C[5,6]HO)(H)2	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]CH)(C[6]C[5,6]HO)(H)2{1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]HH)(CCCH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4550	0.014	2	109.4550	0.000	2	109.1997	0.196	3	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,5]C[6]H)(C[6]C[3x6]HH)(H)2	C[6](C[5,5]C[5,5,6,6]C[5]2)(C[6]C[3x6]HO)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5]C[6]H)(C[6]C[3x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,5]C[5,5,6,6]C[5]2)(C[6]C[3x6]HO)(C[6]C[6]HH)(H){1|O<1>,2|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.7920	0.000	1	108.7920	0.000	1	109.2282	0.060	5	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5,5]C[5,5]C[5]O[5])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,5]C[5,5]C[5]O[5])(C[6]C[6]HH)2(H){3|C<4>,3|O<2>,6|H<1>}	H(C[6]C[6]2H)	109.3372	0.037	4	109.3372	0.001	4	109.2282	0.060	5	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[5,6,6]C[5,6]N[6,6]O[5])(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[5,6,6]C[5,6]N[6,6]O[5])(C[6]C[6]HH)(CHHO)(H){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7120	0.543	5	108.7120	0.295	5	108.8714	0.187	25	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[6]CH)(H)2	C[6](C[5,6,6]C[5,5,6,6]C[5,6]S)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]CH)(H)2{1|S<4>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]S)(C[6]C[6]HH)(CCHH)(H){2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.4860	0.529	2	108.4860	0.280	2	108.8714	0.187	25	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3860	0.010	2	109.3860	0.000	2	108.8714	0.187	25	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]O[5,6])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5,6])(C[6]C[6]HH)(CH3)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9570	0.000	1	108.9570	0.000	1	108.8714	0.187	25	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(H){1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.9523	0.206	3	108.9523	0.042	3	108.8714	0.187	25	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(CH3)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.8210	0.000	1	108.8210	0.000	1	108.8714	0.187	25	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(CHHO)(H){4|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.9450	0.062	2	108.9450	0.004	2	108.8714	0.187	25	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HO)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(H){1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.4220	0.037	2	108.8839	0.244	9	108.8714	0.187	25	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HO)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(H){2|H<1>,2|O<2>,5|C<4>}	H(C[6]C[6]2H)	109.0159	0.484	7	108.8839	0.244	9	108.8714	0.187	25	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[3x4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3x4]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[3x4]C[4,4]3)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3x4]C[5,6]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[3x4]C[4,4]3)(C[6]C[6]HH)(H){11|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	109.2995	0.101	2	109.2995	0.010	2	109.2995	0.010	2	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[5]C[5]N[5]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[5]C[5]N[5]H)(C[6]C[6]HH)(H){1|N<2>,1|S<4>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3375	0.030	2	109.3375	0.001	2	109.3375	0.001	2	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:	C[6](C[6]C[5,6]ClC)(C[6]C[6]CC)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(Cl)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]ClC)(C[6]C[6]CC)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(Cl){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	107.7335	0.073	4	107.7335	0.005	4	107.7335	0.005	4	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[5,6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(CHHO)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9025	0.022	2	108.9025	0.000	2	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]CH)(H)2{1|O<2>,4|C<4>}	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2115	0.009	2	109.2115	0.000	2	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.8950	0.006	2	108.8950	0.000	2	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H){1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7980	0.076	4	108.7980	0.006	4	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]CH)(H)2{2|C<3>,3|C<4>}	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3)(H){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6720	0.018	2	108.6720	0.000	2	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.8540	0.000	1	108.8540	0.000	1	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	106.7115	1.788	2	106.7115	3.198	2	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6]2H)	108.9412	0.023	4	108.5647	0.102	34	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	108.8370	0.040	4	108.5647	0.102	34	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.8380	0.095	8	108.5647	0.102	34	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H){2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	108.3763	0.217	10	108.5647	0.102	34	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H){2|C<4>,6|H<1>}	H(C[6]C[6]2H)	108.2025	0.053	8	108.5647	0.102	34	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]HO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]HO)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6]2H)	109.0095	0.005	2	109.0095	0.000	2	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[6a]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	108.8995	0.015	2	109.1030	0.056	4	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[6a]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[6a]HH)(H){2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.3065	0.036	2	109.1030	0.056	4	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.6770	0.007	2	108.6770	0.000	2	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[6]2H)	108.8470	0.247	9	108.8470	0.061	9	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.8860	0.000	1	108.8860	0.000	1	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HO)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	112.5975	1.989	2	112.5975	3.956	2	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]CH)(H)2	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]CH)(H)2{2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CCHH)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.2390	0.047	4	108.2390	0.002	4	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]CI)(H)2	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]CI)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(H){1|I<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.5670	0.021	2	108.5670	0.000	2	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2{5|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CC3)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2070	0.004	2	109.2070	0.000	2	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0990	0.014	2	109.0990	0.000	2	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]HH)(CHHO)(H){1|C<2>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.1080	0.049	2	109.1080	0.002	2	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2{2|C<4>,3|O<2>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(CH3)(H){3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7550	0.037	2	109.7550	0.001	2	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0132	0.123	4	108.8714	0.018	17	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7917	0.062	11	108.8714	0.018	17	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H){4|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.0260	0.013	2	108.8714	0.018	17	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(H)2	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CCCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(H)2{1|C<3>,4|C<4>}	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CCCO)(H){2|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.0060	0.000	1	109.0060	0.000	1	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(H)2	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(H)2{2|C<3>,2|C<4>}	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.7078	0.082	6	109.7078	0.007	6	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.4640	0.134	6	108.5627	0.018	14	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.6368	0.071	8	108.5627	0.018	14	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|S<4>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]HH)(CCHH)(H){2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7275	0.442	2	109.7275	0.195	2	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0545	0.009	4	109.0545	0.000	4	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	C[6](C[5,6]N[5,6]C[6a]O[5])(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[5,6]N[5,6]C[6a]O[5])(C[6]C[6]HH)(CCHH)(H){1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.3613	0.080	3	109.3613	0.006	3	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,5]C[6]O[5])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,5]C[6]O[5])(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<4>,2|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.0823	0.025	3	109.0823	0.001	3	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CCCH)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6858	0.191	5	109.6858	0.037	5	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4595	0.011	2	109.4595	0.000	2	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){3|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.7570	0.000	1	109.1459	0.167	10	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3200	0.000	1	109.1459	0.167	10	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6070	0.065	2	109.1459	0.167	10	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4855	0.015	2	109.1459	0.167	10	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|N<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8960	0.000	1	109.1459	0.167	10	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|Si<4>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6020	0.028	2	109.1459	0.167	10	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.0970	0.000	1	109.1459	0.167	10	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	110.1230	0.658	4	109.4127	0.502	15	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4330	0.189	5	109.4127	0.502	15	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.5110	1.201	2	109.4127	0.502	15	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9220	0.016	2	109.4127	0.502	15	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3340	0.023	2	109.4127	0.502	15	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4570	0.140	3	109.4570	0.020	3	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHO)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4300	0.013	2	109.4300	0.000	2	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.5302	0.454	4	108.5302	0.206	4	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4890	0.000	1	109.4890	0.000	1	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(CH3)(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1885	0.005	2	109.1885	0.000	2	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(CH3)(H){1|C<3>,3|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.1225	0.250	4	109.1225	0.062	4	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(CCHH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5100	0.000	1	109.5100	0.000	1	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6542	0.928	4	108.6542	0.861	4	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CHHO)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2620	0.028	2	109.2620	0.001	2	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6a]N[5,6]O)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6a]N[5,6]O)(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.0555	0.059	2	109.0555	0.003	2	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H){1|C<2>,1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	108.9193	0.070	6	109.0344	0.122	19	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	108.8992	0.612	4	109.0344	0.122	19	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H){1|Ga<4>,1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.0955	0.039	2	109.0344	0.122	19	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H){1|Ni<4>,1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.3850	0.041	2	109.0344	0.122	19	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H){1|N<3>,1|P<3>,2|C<4>,7|H<1>}	H(C[6]C[6]2H)	109.2850	0.098	4	109.0344	0.122	19	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H){2|C<4>,2|N<3>,7|H<1>}	H(C[6]C[6]2H)	108.4400	0.000	1	109.0344	0.122	19	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	113.6565	1.514	2	113.6565	2.292	2	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(CC[5a]CH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(CC[5a]CH)(H){1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2525	0.033	2	109.2525	0.001	2	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CC3)(H){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6]2H)	109.0125	0.032	4	109.0125	0.001	4	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCHH)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.5060	0.000	1	109.5060	0.000	1	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[6]C[6]2H)	109.1260	0.007	2	109.1260	0.000	2	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(CC3)(H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.7320	0.365	4	108.7320	0.133	4	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1850	0.092	3	109.1850	0.008	3	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCCH)(H){3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2185	0.054	4	109.2185	0.003	4	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.1695	0.015	2	109.1695	0.000	2	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,5]C[6]N[5])(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|N<3>}	C[6](C[5,6]N[5,5]C[6]N[5])(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.1568	1.205	4	108.1568	1.453	4	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(CHHO)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1487	0.445	4	109.1487	0.198	4	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.1565	0.009	2	109.1565	0.000	2	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	110.2225	1.156	2	110.2225	1.337	2	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0743	0.054	6	109.0743	0.003	6	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5710	0.017	2	108.5710	0.000	2	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(CHHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(CHHN)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.1685	1.040	2	109.1685	1.082	2	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	H(C[6]C[6]2H)	109.1130	0.000	1	109.1593	0.002	3	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(H){1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.1825	0.022	2	109.1593	0.002	3	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CHHO)(H){1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.0085	0.039	2	109.0085	0.002	2	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]N[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CH3)(H){1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2177	0.190	3	109.2177	0.036	3	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]N[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<1>,2|N<3>,6|H<1>}	H(C[6]C[6]2H)	107.7780	0.904	2	107.7780	0.817	2	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]O[6]CH)(H)2	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.7410	0.045	2	108.7410	0.002	2	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)2(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHO)(H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.9352	1.367	6	108.9352	1.867	6	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)2(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.0375	0.019	2	109.0375	0.000	2	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]ClH)(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CC[5]CC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]ClH)(C[6]C[5,6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CC[5]CC)(H){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.6385	0.699	2	109.6385	0.489	2	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[6,6a]C[5]S[5])(C[6]C[6]HH)(CF3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]CH)(H)2{1|C<4>,1|S<2>,2|C<3>}	C[6](C[5,6]C[6,6a]C[5]S[5])(C[6]C[6]HH)(CF3)(H){1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.1415	1.278	2	108.1415	1.633	2	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.2100	0.034	4	109.2100	0.001	4	109.0195	0.600	283	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(H)2{1|C<4>,1|N<2>,2|O<2>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.9645	0.005	2	108.9645	0.000	2	108.9645	0.000	2	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,3x6]C[5,6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[5,6]C[5,3x6]C[5,6]H)(C[6]C[6]HH)2(H){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1382	0.160	4	109.1382	0.026	4	109.2945	0.030	10	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,5,6]C[5,6]O)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]O)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3715	0.018	2	109.3715	0.000	2	109.2945	0.030	10	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,3|C<4>,9|H<1>}	H(C[6]C[6]2H)	109.4123	0.094	4	109.4123	0.009	4	109.2945	0.030	10	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(NRuCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2{1|Fe<10>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(NRuCC)(H){1|P<4>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.8380	0.000	1	109.8380	0.000	1	109.8380	0.000	1	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HP)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(PC[6a]2S)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HP)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(PC[6a]2S)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.8590	0.088	5	108.8590	0.008	5	108.8590	0.008	5	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:Si-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]SiH)(H)2	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(SiC[6a]CC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]SiH)(H)2{5|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(SiC[6a]CC)(H){2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	108.1655	0.047	4	108.1655	0.002	4	109.0897	0.269	18	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:Si-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]SiH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(SiC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]SiH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(SiC3)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2300	0.051	6	109.3222	0.016	10	109.0897	0.269	18	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:Si-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]SiH)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(SiC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]SiH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(SiC3)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4605	0.004	4	109.3222	0.016	10	109.0897	0.269	18	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:Si-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]SiH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(SiC[6a]CC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]SiH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(SiC[6a]CC)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4327	0.027	4	109.4327	0.001	4	109.0897	0.269	18	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[3,6]HO)(H)2	C[6](C[5]C[5]O[5]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[3,6]HO)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6](C[5]C[5]O[5]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.1265	0.045	2	109.1265	0.002	2	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6,6a]HO)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6,6a]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6,6a]HO)(C[6]C[6]HH)(H){2|H<1>,6|C<3>}	H(C[6]C[6]2H)	109.0850	0.110	3	109.0850	0.012	3	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|H<1>,2|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.5610	0.958	12	108.5610	0.919	12	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[5]C[5,6]C[5]Rh)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2{1|Rh<8>,3|H<1>,4|C<4>}	C[6](C[5]C[5,6]C[5]Rh)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3320	0.020	2	109.3320	0.000	2	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[5]C[5]2Hf)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2{1|Hf<12>,3|H<1>,4|C<4>}	C[6](C[5]C[5]2Hf)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.8110	0.066	4	108.8110	0.004	4	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[5]C[5]2Ti)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2{1|Ti<12>,3|H<1>,4|C<4>}	C[6](C[5]C[5]2Ti)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.7580	0.037	4	108.7580	0.001	4	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[5]C[5]2Zr)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2{1|Zr<12>,3|H<1>,4|C<4>}	C[6](C[5]C[5]2Zr)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.7798	0.120	4	108.9061	0.037	7	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[5]C[5]2Zr)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2{1|Zr<14>,3|H<1>,4|C<4>}	C[6](C[5]C[5]2Zr)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.0747	0.116	3	108.9061	0.037	7	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]CO)(H)2	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CO)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.4250	0.000	1	109.4250	0.000	1	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]B[5]C[5]C)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|B<3>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[5]B[5]C[5]C)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,1|P<4>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1270	0.025	3	109.1270	0.001	3	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]B[5]N[5]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|B<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[5]B[5]N[5]H)(C[6]C[6]HH)2(H){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2185	0.041	4	109.2185	0.002	4	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[3x5]C[5]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[5]C[3x5]C[5]H)(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2804	0.169	7	109.2804	0.028	7	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[4,5]O[5]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[6](C[5]C[4,5]O[5]H)(C[6]C[6]HH)2(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2937	0.022	3	109.2937	0.000	3	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]HH)2(H){1|N<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2922	0.264	4	109.2922	0.070	4	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5,6]C[5]Co)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Co<10>,3|C<4>,4|H<1>}	C[6](C[5]C[5,6]C[5]Co)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4338	0.110	8	109.4338	0.012	8	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5,6]C[5]Fe)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Fe<10>,3|C<4>,4|H<1>}	C[6](C[5]C[5,6]C[5]Fe)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2146	0.127	14	109.2146	0.016	14	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.1050	0.015	3	109.1050	0.000	3	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5,6]C[5]Mn)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Mn<10>,3|C<4>,4|H<1>}	C[6](C[5]C[5,6]C[5]Mn)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2448	0.148	21	109.2448	0.022	21	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5,6]C[5]Zr)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Zr<12>,3|C<4>,4|H<1>}	C[6](C[5]C[5,6]C[5]Zr)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.1833	0.131	13	109.1833	0.017	13	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1690	0.008	2	109.1690	0.000	2	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5,6a]C[5,6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,2|C<4>,4|H<1>}	C[6](C[5]C[5,6a]C[5,6]C)(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.4950	1.614	12	108.5718	2.268	14	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5,6a]C[5,6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[5]C[5,6a]C[5,6]C)(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.0325	0.581	2	108.5718	2.268	14	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5,6a]C[5]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[5]C[5,6a]C[5]C[6])(C[6]C[6]HH)2(H){3|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.2411	0.072	8	109.2411	0.005	8	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)2(H){1|S<4>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3485	0.058	4	109.3704	0.017	11	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)2(H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3829	0.163	7	109.3704	0.017	11	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5,6a]C[6a]C[5])(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[5]C[5,6a]C[6a]C[5])(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2395	0.026	2	109.2395	0.001	2	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3290	0.017	2	109.3290	0.000	2	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5,6a]N[5]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[5]C[5,6a]N[5]H)(C[6]C[6]HH)2(H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4975	0.009	2	109.4975	0.000	2	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5]2C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5]C[5]2C)(C[6]C[6]HH)(C[6]C[6]HO)(H){3|C<4>,8|H<1>}	H(C[6]C[6]2H)	109.8783	0.808	4	109.8783	0.652	4	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2363	0.051	3	108.6433	4.548	7	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,2|F<1>,6|H<1>}	H(C[6]C[6]2H)	108.1985	2.912	4	108.6433	4.548	7	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5]2Mo)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Mo<9>,3|C<4>,4|H<1>}	C[6](C[5]C[5]2Mo)(C[6]C[6]HH)2(H){3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.1430	0.103	4	109.1012	0.018	12	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5]2Mo)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Mo<9>,3|C<4>,4|H<1>}	C[6](C[5]C[5]2Mo)(C[6]C[6]HH)2(H){4|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.0803	0.148	8	109.1012	0.018	12	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2895	0.151	4	109.3036	0.048	46	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H){1|C<2>,1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	108.8593	0.369	4	109.3036	0.048	46	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.2701	0.088	11	109.3036	0.048	46	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H){1|C<3>,1|S<4>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3513	0.024	3	109.3036	0.048	46	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H){1|N<3>,1|P<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4416	0.182	8	109.3036	0.048	46	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H){1|S<4>,4|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3634	0.156	16	109.3036	0.048	46	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	H(C[6]C[6]2H)	109.4450	0.065	4	109.4450	0.004	4	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5]O[5]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|S<2>,3|H<1>}	H(C[6]C[6]2H)	109.6430	0.000	1	109.6430	0.000	1	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)2(H){1|B<4>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.1975	0.077	6	109.2908	0.025	10	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)2(H){1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4308	0.152	4	109.2908	0.025	10	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5]P[5]Os)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Os<10>,1|P<3>,2|C<4>,4|H<1>}	C[6](C[5]C[5]P[5]Os)(C[6]C[6]HH)2(H){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.8785	2.448	8	109.5045	1.237	37	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5]P[5]Os)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Os<11>,1|P<3>,2|C<4>,4|H<1>}	C[6](C[5]C[5]P[5]Os)(C[6]C[6]HH)2(H){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3626	0.249	15	109.5045	1.237	37	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5]P[5]Os)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Os<11>,1|P<5>,2|C<4>,4|H<1>}	C[6](C[5]C[5]P[5]Os)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4429	0.135	14	109.5045	1.237	37	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5]P[5]Ru)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Ru<11>,1|P<3>,2|C<4>,4|H<1>}	C[6](C[5]C[5]P[5]Ru)(C[6]C[6]HH)2(H){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.9374	0.508	8	108.9165	0.169	16	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5]P[5]Ru)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Ru<11>,1|P<5>,2|C<4>,4|H<1>}	C[6](C[5]C[5]P[5]Ru)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.8956	0.322	8	108.9165	0.169	16	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]C[5]S[5]C)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[6](C[5]C[5]S[5]C)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	H(C[6]C[6]2H)	109.4635	0.023	2	109.4635	0.001	2	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]N[5]O[5]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[5]N[5]O[5]H)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2425	0.463	4	109.2425	0.214	4	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]N[5]S[5]C)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|S<2>,2|C<4>,2|H<1>}	C[6](C[5]N[5]S[5]C)(C[6]C[6]HH)2(H){1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4640	0.000	1	109.4640	0.000	1	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[5]O[5]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|O<2>,5|H<1>}	C[6](C[5]O[5]2H)(C[6]C[6]HH)2(H){3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1612	0.297	8	109.1612	0.088	8	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(H)2	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.2592	0.058	4	109.2592	0.003	4	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]N[5a,6]HH)(H)2	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[5a,6]HO)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]N[5a,6]HH)(H)2{1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[5a,6]HO)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.0435	0.015	2	109.0435	0.000	2	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[5]C[5]2Cr)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2{1|Cr<8>,2|H<1>,4|C<4>}	C[6](C[5]C[5]2Cr)(C[6]C[6]HH)2(H){1|N<4>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.2403	0.042	4	109.2403	0.002	4	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[5]C[5]2Fe)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2{1|Fe<10>,2|H<1>,4|C<4>}	C[6](C[5]C[5]2Fe)(C[6]C[6]HH)2(H){1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.4469	0.066	7	109.4408	0.035	18	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[5]C[5]2Fe)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2{1|Fe<10>,3|H<1>,4|C<4>}	C[6](C[5]C[5]2Fe)(C[6]C[6]HH)2(H){1|N<4>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.4370	0.239	11	109.4408	0.035	18	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[5]C[5]2Ti)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2{1|Ti<12>,2|H<1>,4|C<4>}	C[6](C[5]C[5]2Ti)(C[6]C[6]HH)2(H){1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.4007	0.117	6	109.3454	0.012	14	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[5]C[5]2Ti)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2{1|Ti<12>,3|H<1>,4|C<4>}	C[6](C[5]C[5]2Ti)(C[6]C[6]HH)2(H){1|N<4>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.3040	0.086	8	109.3454	0.012	14	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[5]C[5]2V)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2{1|V<10>,2|H<1>,4|C<4>}	C[6](C[5]C[5]2V)(C[6]C[6]HH)2(H){1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.2890	0.485	14	109.3828	0.130	28	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[5]C[5]2V)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2{1|V<11>,2|H<1>,4|C<4>}	C[6](C[5]C[5]2V)(C[6]C[6]HH)2(H){1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.5342	0.072	10	109.3828	0.130	28	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[5]C[5]2V)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2{1|V<9>,2|H<1>,4|C<4>}	C[6](C[5]C[5]2V)(C[6]C[6]HH)2(H){1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.3323	0.102	4	109.3828	0.130	28	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]O[6]HH)(H)2	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.7475	0.029	2	109.7475	0.001	2	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a]O[6]H)(C[6]C[5]C[6]H)(H)2	C[6](C[5]C[5]2Fe)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]O[6]H)(C[6]C[5]C[6]H)(H)2{1|Fe<10>,1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[5]C[5]2Fe)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6810	0.054	2	108.6810	0.003	2	109.2224	0.401	382	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5]O[5]C)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5]O[5]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6]2H)	108.9285	0.025	2	108.9285	0.001	2	109.3833	0.276	4	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2O[6])(C[5]O[5]2H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>,3|O<2>}	C[6](C[6,6]C[6]2O[6])(C[5]O[5]2H)(C[6]C[6]HH)(H){5|H<1>,6|C<4>}	H(C[6]C[6]2H)	109.8380	0.011	2	109.8380	0.000	2	109.3833	0.276	4	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:Br-1:	C[6]-4:	C[6](C[6]C[6,6]BrC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CH3)(Br)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]BrC)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CH3)(Br){3|C<4>,4|H<1>}	H(C[6]C[6]2H)	106.1845	1.391	2	106.1845	1.935	2	106.1845	1.935	2	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.7740	0.000	1	108.7740	0.000	1	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[3x6]N[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]CH)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[6,6]C[3x6]N[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.5610	0.000	1	108.5610	0.000	1	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3x6]HO)(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HO)(C[6]C[6,6]CH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.3025	0.009	2	109.3025	0.000	2	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[5,6,6]O[6]O)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]CH)(H)2{2|O<2>,3|C<4>}	C[6](C[6,6]C[5,6,6]O[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.1605	0.008	4	108.1605	0.000	4	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6660	0.008	2	108.6660	0.000	2	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(CCCH)(H){2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5480	0.014	2	108.5480	0.000	2	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3457	0.116	4	109.3295	0.009	6	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2970	0.016	2	109.3295	0.009	6	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4010	0.035	4	109.0844	0.043	18	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.9817	0.090	3	109.0844	0.043	18	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8560	0.000	1	109.0844	0.043	18	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.0114	0.140	10	109.0844	0.043	18	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8665	0.035	2	109.0455	0.043	4	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2245	0.009	2	109.0455	0.043	4	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]Cr)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|Cr<9>,1|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]Cr)(C[6]C[6]HH)(CCHH)(H){3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2935	0.092	8	109.2935	0.008	8	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<2>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.8640	0.013	2	108.8630	0.000	3	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.8610	0.000	1	108.8630	0.000	3	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]N)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<2>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]N)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.8785	0.006	2	108.8785	0.000	2	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CCCH)(H){1|S<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2497	0.100	3	109.1392	0.028	5	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9735	0.018	2	109.1392	0.028	5	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2785	0.035	2	109.2785	0.001	2	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2973	0.129	3	109.2973	0.017	3	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(CH3)(H){4|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.5853	0.038	4	108.5853	0.001	4	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCCO)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4433	0.151	3	109.4433	0.023	3	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.0925	0.013	2	109.0925	0.000	2	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.8825	0.056	2	108.8825	0.003	2	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	108.6685	0.112	4	108.6685	0.012	4	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9395	0.026	2	108.9395	0.001	2	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH)(H){1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1225	0.033	2	109.1225	0.001	2	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<2>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9760	0.007	2	108.9760	0.000	2	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6]HH)(H){1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1565	0.009	2	109.1565	0.000	2	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(H){1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.0305	0.062	2	108.0305	0.004	2	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.2980	0.006	2	108.2980	0.000	2	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CCCH)(H){3|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.2900	0.008	2	108.2900	0.000	2	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.3675	0.021	2	108.3675	0.000	2	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0350	0.139	3	109.0350	0.019	3	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0270	0.016	2	109.0270	0.000	2	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1840	0.016	2	109.1840	0.000	2	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7980	0.366	2	108.7980	0.134	2	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1485	0.893	4	109.1485	0.798	4	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CCCH)(H){2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6620	0.127	6	108.6620	0.016	6	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CCHH)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.0820	0.020	2	109.0820	0.000	2	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.7780	0.020	2	108.7780	0.000	2	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5595	0.006	2	109.3560	0.056	4	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH)(H){1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1525	0.040	2	109.3560	0.056	4	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2205	0.178	4	109.0811	0.026	34	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3655	0.006	2	109.0811	0.026	34	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3790	0.000	1	109.0811	0.026	34	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.0927	0.110	6	109.0811	0.026	34	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.9948	0.042	6	109.0811	0.026	34	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.0420	0.004	2	109.0811	0.026	34	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7670	0.004	2	109.0811	0.026	34	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.0870	0.053	4	109.0811	0.026	34	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.9370	0.021	2	109.0811	0.026	34	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0182	0.035	4	109.0811	0.026	34	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3290	0.000	1	109.0811	0.026	34	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1880	0.016	2	109.0565	0.091	22	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9015	0.008	2	109.0565	0.091	22	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3855	0.009	2	109.0565	0.091	22	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.8310	0.326	3	109.0565	0.091	22	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2450	0.000	1	109.0565	0.091	22	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2117	0.118	4	109.0565	0.091	22	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5650	0.052	2	109.0565	0.091	22	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.8828	0.111	4	109.0565	0.091	22	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5230	0.037	2	109.0565	0.091	22	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0545	0.028	2	109.4232	0.619	8	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.6642	1.126	4	109.4232	0.619	8	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3100	0.004	2	109.4232	0.619	8	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3140	0.007	2	108.9703	0.318	24	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.0965	0.088	4	108.9703	0.318	24	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1090	0.004	2	108.9703	0.318	24	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1455	0.005	2	108.9703	0.318	24	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.1840	0.011	2	108.9703	0.318	24	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5635	1.068	6	108.9703	0.318	24	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.1685	0.019	2	108.9703	0.318	24	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	108.9198	0.030	4	108.9703	0.318	24	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2947	0.397	4	109.2947	0.157	4	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]Ir)(C[6]C[6]HH)(CHHP)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|Ir<5>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]Ir)(C[6]C[6]HH)(CHHP)(H){3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.4322	0.754	6	108.7321	0.584	9	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]Ir)(C[6]C[6]HH)(CHHP)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|Ir<6>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]Ir)(C[6]C[6]HH)(CHHP)(H){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5165	0.067	2	108.7321	0.584	9	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]Ir)(C[6]C[6]HH)(CHHP)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|Ir<7>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]Ir)(C[6]C[6]HH)(CHHP)(H){3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9630	0.000	1	108.7321	0.584	9	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CCCH)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4290	0.028	2	109.4290	0.001	2	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1060	0.000	1	109.1800	0.024	19	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2145	0.066	2	109.1800	0.024	19	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3155	0.039	2	109.1800	0.024	19	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3490	0.000	1	109.1800	0.024	19	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1885	0.083	4	109.1800	0.024	19	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.5480	0.000	1	109.1800	0.024	19	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9115	0.077	2	109.1800	0.024	19	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0585	0.035	2	109.1800	0.024	19	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1658	0.069	4	109.1800	0.024	19	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7735	0.035	2	108.7735	0.001	2	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.0320	0.037	2	109.0320	0.001	2	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CN[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CN[6]HH)(H){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.7505	0.011	2	108.7505	0.000	2	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CCCH)(H){3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2233	0.026	3	109.2233	0.001	3	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.9670	0.027	2	109.9670	0.001	2	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(CH3)(H){2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	108.9975	2.203	2	108.9975	4.852	2	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(CHHO)(H){3|C<4>,7|H<1>}	H(C[6]C[6]2H)	109.0450	0.029	3	109.0450	0.001	3	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CCCH)(H){4|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2645	0.012	2	109.2645	0.000	2	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.3190	0.113	3	109.1330	0.072	5	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CH3)(H){4|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.8540	0.048	2	109.1330	0.072	5	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCCH)(H){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.4105	0.056	4	109.4105	0.003	4	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCHH)(H){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.3090	0.000	1	109.3090	0.000	1	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]N[6]O[6])(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6]N[6]O[6])(C[6]C[6]HH)(CCCH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2415	0.033	2	109.2415	0.001	2	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.7998	0.139	6	108.7837	0.015	8	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CCCH)(H){3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7355	0.062	2	108.7837	0.015	8	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|S<2>,1|S<3>,2|C<4>}	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(CCCH)(H){1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1680	0.059	8	109.1680	0.003	8	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3538	0.209	4	109.3538	0.044	4	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9285	0.011	2	109.0273	0.013	4	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1260	0.017	2	109.0273	0.013	4	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.7925	0.006	2	108.7925	0.000	2	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.6985	0.012	4	108.7838	0.018	6	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9545	0.016	2	108.7838	0.018	6	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]N[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1155	0.050	2	109.1155	0.003	2	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]O[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|O<2>,5|H<1>}	H(C[6]C[6]2H)	109.5915	0.025	2	109.5915	0.001	2	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]O[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]O[6]HO)(H)2{1|C<3>,1|C<4>,1|F<1>}	C[6](C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<3>,3|O<2>}	H(C[6]C[6]2H)	109.6570	0.007	2	109.6570	0.000	2	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)2(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.2460	2.640	2	108.2460	6.971	2	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)2(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8405	0.322	2	109.8405	0.104	2	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[6,6a]C[6]S[6])(C[6]C[6]HH)(CF3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]CH)(H)2{1|C<4>,1|S<2>,2|C<3>}	C[6](C[6,6]C[6,6a]C[6]S[6])(C[6]C[6]HH)(CF3)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.6355	1.542	2	108.6355	2.378	2	109.0373	0.208	317	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:I-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]CI)(H)2	C[6](C[6,6]N[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(I)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]CI)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(I){3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.5840	0.054	2	108.5840	0.003	2	108.5840	0.003	2	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4550	0.069	3	109.4550	0.005	3	109.3371	0.024	14	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[4,6,6]O[6,6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[4,6,6]O[6,6]H)(C[6]C[6]HH)2(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4570	0.024	3	109.4570	0.001	3	109.3371	0.024	14	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)2(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.1160	0.058	4	109.1160	0.003	4	109.3371	0.024	14	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]2H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]2H)(H){2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3435	0.040	2	109.3435	0.002	2	109.3371	0.024	14	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]O[6])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]O[6])(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.4160	0.008	2	109.4160	0.000	2	109.3371	0.024	14	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2	C[6](C[6]C[3,6]CH)(C[3]C[3]2C)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[6]C[3,6]CH)(C[3]C[3]2C)(C[6]C[6]HH)(H){2|Br<1>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	107.0070	0.021	2	107.2258	0.066	4	107.2258	0.066	4	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2	C[6](C[6]C[3,6]CH)(C[3]C[3]2C)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2{1|H<1>,7|C<4>}	C[6](C[6]C[3,6]CH)(C[3]C[3]2C)(C[6]C[6]HH)(H){2|Cl<1>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	107.4445	0.086	2	107.2258	0.066	4	107.2258	0.066	4	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6,6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[5]O[5]2H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6,6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[5]O[5]2H)(C[6]C[6]HH)(H){2|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.8090	0.082	2	108.8090	0.007	2	108.8090	0.007	2	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:As-4:H-1:	C[6]-4:	C[6](C[6]C[6]AsH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(AsC[6]2Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]AsH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(AsC[6]2Cl)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6870	0.192	10	109.6870	0.037	10	109.6870	0.037	10	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]BH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(BO3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]BH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(BO3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0715	0.121	6	109.0715	0.015	6	108.9929	0.101	49	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(BC[6]CC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(BC[6]CC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9180	0.125	8	108.9180	0.016	8	108.9929	0.101	49	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(BC[6]CN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(BC[6]CN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2328	0.184	6	109.2328	0.034	6	108.9929	0.101	49	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(BC[6]CO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(BC[6]CO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2420	0.092	7	109.2420	0.008	7	108.9929	0.101	49	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(BC[6]OO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(BC[6]OO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2224	0.053	5	109.2224	0.003	5	108.9929	0.101	49	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(BC[6a]2H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(BC[6a]2H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7625	0.040	4	108.7625	0.002	4	108.9929	0.101	49	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(BHHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(BHHN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.4343	0.687	4	108.4343	0.473	4	108.9929	0.101	49	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(BC[6a]2H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(BC[6a]2H)(H){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.9285	0.022	2	108.9285	0.000	2	108.9929	0.101	49	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(BC[6a]2C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(BC[6a]2C)(H){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.7480	0.000	1	108.7480	0.000	1	108.9929	0.101	49	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(BC[6a]2H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(BC[6a]2H)(H){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.1685	0.021	2	109.1685	0.000	2	108.9929	0.101	49	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(BC[6a]2O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(BC[6a]2O)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7365	0.117	4	108.7365	0.014	4	108.9929	0.101	49	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:Br-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]BrC)(H)2	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(CH3)(Br)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]BrC)(H)2{1|Br<1>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(CH3)(Br){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.8315	0.022	2	108.8315	0.000	2	108.7210	0.028	6	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:Br-1:	C[6]-4:	C[6](C[6]C[6]BrC)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CH3)(Br)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrC)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(Br){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5080	0.065	2	108.5080	0.004	2	108.7210	0.028	6	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:Br-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]BrC)(H)2	C[6](C[6]C[6]HH)2(CH3)(Br)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]BrC)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(Br){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8235	0.005	2	108.8235	0.000	2	108.7210	0.028	6	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]CC)(H)2	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CH3)(Cl)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClC)(C[6]C[6]CC)(H)2{2|Cl<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CH3)(Cl){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.8355	0.204	2	107.8355	0.042	2	108.6558	0.176	26	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CH3)(Cl)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClC)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(Cl){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.2110	0.024	2	108.2110	0.001	2	108.6558	0.176	26	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]ClF)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(Cl)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClC)(C[6]C[6]ClF)(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(Cl){1|Cl<1>,1|F<1>,2|C<4>}	H(C[6]C[6]2H)	108.9145	0.006	2	108.9145	0.000	2	108.6558	0.176	26	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(CH3)(Cl)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(CH3)(Cl){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2425	0.026	2	109.2425	0.001	2	108.6558	0.176	26	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(CHHO)(Cl)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(CHHO)(Cl){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9205	0.054	4	108.9205	0.003	4	108.6558	0.176	26	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(Cl)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(Cl){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.5485	0.043	2	108.5485	0.002	2	108.6558	0.176	26	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CClHH)(Cl)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CClHH)(Cl){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8485	0.023	2	108.8485	0.001	2	108.6558	0.176	26	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(Cl)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(Cl){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.7930	0.024	2	108.7930	0.001	2	108.6558	0.176	26	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)(Cl)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)(Cl){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9820	0.011	2	108.9820	0.000	2	108.6558	0.176	26	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(Cl)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(Cl){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9720	0.038	2	108.9720	0.001	2	108.6558	0.176	26	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:	C[6](C[6]N[4,6]CH)(C[6]C[6]ClC)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CH3)(Cl)	H(C[6]C[6]2H)	C[6](C[6]N[4,6]CH)(C[6]C[6]ClC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CH3)(Cl){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.1460	0.031	2	108.1460	0.001	2	108.6558	0.176	26	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:	C[6](C[6]N[5,6]CH)(C[6]C[6]ClC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(Cl)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]CH)(C[6]C[6]ClC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(Cl){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.1910	0.025	2	108.1910	0.001	2	108.6558	0.176	26	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:F-1:	C[6]-4:	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CClHH)(F)	H(C[6]C[6]2H)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CClHH)(F){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8145	0.643	2	108.8145	0.413	2	109.2097	0.328	18	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:F-1:	C[6]-4:	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(F)	H(C[6]C[6]2H)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(F){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.2260	1.558	2	110.2260	2.429	2	109.2097	0.328	18	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:F-1:	C[6]-4:	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)(F)	H(C[6]C[6]2H)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)(F){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4240	0.000	1	109.4240	0.000	1	109.2097	0.328	18	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:F-1:	C[6]-4:	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(F)	H(C[6]C[6]2H)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(F){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9790	0.129	2	109.0768	0.012	5	109.2097	0.328	18	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:F-1:	C[6]-4:	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(F)	H(C[6]C[6]2H)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2{1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(F){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1420	0.027	3	109.0768	0.012	5	109.2097	0.328	18	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:F-1:	C[6]-4:	C[6](C[6]C[6]CF)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(F)	H(C[6]C[6]2H)	C[6](C[6]C[6]CF)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(F){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.0348	0.125	4	109.1106	0.014	8	109.2097	0.328	18	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:F-1:	C[6]-4:	C[6](C[6]C[6]CF)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(F)	H(C[6]C[6]2H)	C[6](C[6]C[6]CF)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(F){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.1865	0.031	4	109.1106	0.014	8	109.2097	0.328	18	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(CCHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8905	0.094	2	109.8905	0.009	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0150	0.023	2	109.0150	0.001	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]B[6a]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{1|B<3>,1|H<1>,3|C<4>}	C[6](C[6]B[6a]C[6]H)(C[6]C[6]HH)(CH3)(H){2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.0075	0.070	4	109.0075	0.005	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CC[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CC[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.0315	0.004	2	108.0315	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CC3)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4990	0.033	2	109.4990	0.001	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CClCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CClCC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4570	0.057	2	109.4570	0.003	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8340	0.000	1	108.8883	0.002	3	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9155	0.006	2	108.8883	0.002	3	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(H)2	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.6550	0.000	1	109.6550	0.000	1	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(H)2	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(H)2{2|O<2>,3|C<4>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7605	0.029	2	108.7605	0.001	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[4,6]CC)(C[6]C[6]CH)(H)2	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]CC)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.5025	0.045	2	108.5025	0.002	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CHHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CHHN)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7610	0.007	2	108.7610	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CC3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1490	0.111	3	109.1490	0.012	3	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9235	0.113	4	108.9235	0.013	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1153	0.025	4	109.1153	0.001	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,2|N<3>}	C[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.1170	0.023	2	110.1170	0.001	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HO)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HO)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4430	0.267	8	109.4430	0.071	8	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]CH)(H)2{1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	110.8145	0.431	2	110.8145	0.185	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7022	0.065	4	108.7022	0.004	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8603	0.075	4	108.8603	0.006	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0440	0.020	4	109.0440	0.000	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.4352	2.695	4	107.4352	7.262	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.4495	0.018	2	108.4495	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2035	0.043	2	109.2035	0.002	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CC3)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.3770	0.000	1	108.3770	0.000	1	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.0690	1.131	2	108.6313	0.129	16	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.4762	0.129	6	108.6313	0.129	16	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.6382	0.075	8	108.6313	0.129	16	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9975	0.038	4	108.9975	0.001	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	109.1980	0.000	1	109.1980	0.000	1	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5205	0.023	2	109.5205	0.001	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]FH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]FH)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H){1|C<4>,1|F<1>,1|H<1>}	H(C[6]C[6]2H)	109.1775	0.042	2	109.1775	0.002	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|Br<1>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.5452	0.130	5	109.5452	0.017	5	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<2>,1|C<3>,3|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4935	0.013	2	108.9909	0.992	29	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1650	0.439	4	108.9909	0.992	29	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9286	1.209	19	108.9909	0.992	29	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8612	0.187	4	108.9909	0.992	29	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1925	0.028	2	109.1925	0.001	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.3676	0.099	8	108.3676	0.010	8	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4640	0.031	2	108.9977	0.290	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5315	0.005	2	108.9977	0.290	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|Cl<1>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.2797	0.018	3	109.2797	0.000	3	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.2390	0.011	2	109.2390	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.0915	0.062	6	109.3420	0.567	22	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	110.8185	0.163	2	109.3420	0.567	22	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5840	0.008	2	109.3420	0.567	22	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.2390	1.404	2	109.3420	0.567	22	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.2070	0.042	2	109.3420	0.567	22	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5170	0.648	2	109.3420	0.567	22	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.3965	0.035	2	109.3420	0.567	22	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.2745	0.009	2	109.3420	0.567	22	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.4510	0.007	2	109.3420	0.567	22	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|I<1>,3|C<4>}	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4522	0.082	10	109.4522	0.007	10	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CC[6a]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	106.9960	0.785	2	106.9960	0.616	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1140	0.004	2	109.1972	0.010	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2805	0.035	2	109.1972	0.010	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4602	0.121	42	109.4602	0.015	42	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HH)2(CC3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1718	0.100	4	109.3312	0.038	9	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CC3)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3410	0.011	2	109.3312	0.038	9	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CC3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5373	0.153	3	109.3312	0.038	9	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0703	0.172	6	109.0703	0.029	6	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1620	0.043	7	109.4432	0.542	23	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.0430	1.023	8	109.4432	0.542	23	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0569	0.127	7	109.4432	0.542	23	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3180	0.000	1	109.4432	0.542	23	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5225	0.122	2	109.5225	0.015	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6]C[6]CH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	114.0955	1.016	2	114.0955	1.032	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2598	0.382	6	109.2598	0.146	6	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.9260	1.988	2	108.9260	3.954	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2{1|Hf<12>,3|H<1>,4|C<4>}	C[6](C[6]C[6]HH)2(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7520	0.009	4	108.8964	0.056	17	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2{1|Rh<8>,3|H<1>,4|C<4>}	C[6](C[6]C[6]HH)2(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3930	0.066	2	108.8964	0.056	17	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2{1|Ti<12>,3|H<1>,4|C<4>}	C[6](C[6]C[6]HH)2(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7415	0.059	4	108.8964	0.056	17	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2{1|Zr<12>,3|H<1>,4|C<4>}	C[6](C[6]C[6]HH)2(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7647	0.030	3	108.8964	0.056	17	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2{1|Zr<14>,3|H<1>,4|C<4>}	C[6](C[6]C[6]HH)2(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0463	0.138	4	108.8964	0.056	17	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.1455	0.042	2	109.1455	0.002	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CHHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CHHN)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0870	0.059	4	109.0870	0.003	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CHHO)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3845	0.243	2	109.3845	0.059	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6a]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	108.5805	0.009	2	108.5805	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	108.9770	0.010	2	108.9770	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|C<2>,1|C<3>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.3635	0.040	2	109.3635	0.002	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.9960	0.011	2	108.9960	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1575	0.012	2	108.7080	0.261	10	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<2>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	108.9665	0.016	2	108.7080	0.261	10	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.2600	0.033	2	108.7080	0.261	10	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5780	0.668	4	108.7080	0.261	10	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CHHO)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.2895	0.042	2	108.2895	0.002	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.3325	0.015	2	108.3325	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.0888	0.084	4	109.0888	0.007	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	110.4460	0.509	2	110.4460	0.259	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1785	0.030	2	109.1971	0.301	57	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1978	0.559	55	109.1971	0.301	57	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4275	0.006	2	109.4275	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1850	0.030	2	109.1850	0.001	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3085	0.059	2	109.3085	0.003	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5225	0.213	2	109.3184	0.028	8	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3665	0.005	2	109.3184	0.028	8	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1923	0.027	4	109.3184	0.028	8	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0510	0.018	2	109.0510	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHO)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1830	0.006	2	109.1898	0.000	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHO)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1965	0.009	2	109.1898	0.000	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.2550	1.746	10	110.2550	3.050	10	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6725	0.019	2	109.0556	0.132	44	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9853	0.321	35	109.0556	0.132	44	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2311	0.414	7	109.0556	0.132	44	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1340	0.034	2	109.1425	0.000	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1510	0.007	2	109.1425	0.000	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2433	0.115	10	108.1485	5.118	23	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7862	1.345	5	108.1485	5.118	23	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	105.4447	3.783	4	108.1485	5.118	23	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	107.3180	2.330	4	108.1485	5.118	23	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9900	0.013	2	108.9900	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CCHH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0410	0.000	1	109.0410	0.000	1	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CC[5a]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CC[5a]HH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.7740	0.011	2	108.7740	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0037	0.406	4	109.0037	0.165	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CS)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|S<2>,3|C<4>}	C[6](C[6]C[6,6]CS)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5840	0.598	2	109.5840	0.358	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]C[3]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C[3]H)(C[6]C[6]HH)(CCCH)(H){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.9090	0.028	2	109.9090	0.001	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6160	0.033	2	109.6160	0.001	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.8370	0.011	2	108.8370	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2076	0.120	12	109.2076	0.014	12	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3025	0.028	4	109.3006	0.018	15	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3717	0.177	3	109.3006	0.018	15	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3680	0.160	4	109.3006	0.018	15	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1780	0.083	4	109.3006	0.018	15	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6040	0.006	2	108.8629	0.173	10	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCO)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6776	0.162	8	108.8629	0.173	10	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0713	0.230	4	109.1129	0.030	8	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2505	0.011	2	109.1129	0.030	8	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0585	0.039	2	109.1129	0.030	8	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0018	0.085	4	109.2036	0.804	81	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0555	0.005	2	109.2036	0.804	81	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0323	0.138	29	109.2036	0.804	81	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	108.9355	0.043	2	109.2036	0.804	81	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.1183	0.269	3	109.2036	0.804	81	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	110.3392	2.638	6	109.2036	0.804	81	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2540	0.935	23	109.2036	0.804	81	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1096	0.249	8	109.2036	0.804	81	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1153	0.145	4	109.2036	0.804	81	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CPdCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CPdCC)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7547	0.029	3	109.7547	0.001	3	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3280	0.125	4	109.3280	0.016	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCF)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCF)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3295	0.026	2	109.3295	0.001	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3143	0.064	3	109.1879	0.023	8	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1120	0.139	5	109.1879	0.023	8	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7180	0.000	1	109.5437	0.025	3	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4565	0.064	2	109.5437	0.025	3	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9756	0.128	8	108.9833	0.017	12	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9988	0.153	4	108.9833	0.017	12	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HS)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]C[6,6]HS)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2020	0.006	2	109.2020	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(CC3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0062	0.152	4	109.0062	0.023	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4084	0.136	8	109.4084	0.018	8	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(CCHH)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5585	0.015	2	109.5585	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.4245	0.006	2	109.4245	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CCHH)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3800	0.039	4	109.3800	0.002	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6020	0.013	4	109.4806	0.020	15	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4852	0.110	6	109.4806	0.020	15	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4260	0.000	1	109.4806	0.020	15	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|N<3>,1|N<4>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2100	0.027	2	109.4806	0.020	15	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|N<3>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5220	0.041	2	109.4806	0.020	15	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3465	0.011	2	109.3282	0.001	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3100	0.054	2	109.3282	0.001	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.2220	0.000	1	108.7400	0.175	3	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.4990	0.024	2	108.7400	0.175	3	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.3272	0.020	4	109.6997	0.289	8	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.0722	0.551	4	109.6997	0.289	8	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{5|C<4>}	C[6](C[6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3)(H){2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8343	0.417	6	108.8343	0.174	6	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.6080	0.000	1	109.6080	0.000	1	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCl3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCl3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.7695	0.012	2	109.7695	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	108.6755	0.135	4	108.6755	0.018	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.4810	0.011	2	108.4810	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|C<4>}	H(C[6]C[6]2H)	107.6551	0.632	8	107.6551	0.399	8	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CHHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CHHN)(H){2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.3780	0.092	4	108.3780	0.008	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC3)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0412	0.052	4	109.0412	0.003	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC3)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6350	0.000	1	109.6350	0.000	1	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7530	0.027	2	109.7530	0.001	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3360	0.011	2	109.3360	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CHHO)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6412	1.741	4	109.6412	3.030	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CHOO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CHOO)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	112.9890	2.360	2	112.9890	5.571	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.1467	3.305	6	109.1467	10.921	6	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(CC3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8612	0.095	4	108.8612	0.009	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.7905	0.021	2	108.9368	0.009	8	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.9615	0.011	4	108.9368	0.009	8	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0335	0.019	2	108.9368	0.009	8	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]AuH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]AuH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|Au<2>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7895	0.039	2	108.7895	0.002	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]BrC)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrC)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCHH)(H){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	108.4260	0.000	1	108.4260	0.000	1	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|Br<1>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]2H)	108.8773	0.077	4	108.8773	0.006	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CBrCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2{1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CBrCH)(H){1|Br<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9575	0.006	2	108.9575	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(CC3)(H){1|Br<1>,1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2H)	109.0915	0.066	4	109.0915	0.004	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|C<3>}	H(C[6]C[6]2H)	108.6300	0.000	1	108.6300	0.000	1	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[5]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[5]HH)(H){1|C<4>,3|C<3>}	H(C[6]C[6]2H)	109.4060	0.004	2	109.4060	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]FF)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|F<1>}	C[6](C[6]C[6]FF)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.4665	0.021	2	108.4665	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHO)(H){1|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.8280	0.013	2	108.8280	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H){1|H<1>,4|C<4>}	H(C[6]C[6]2H)	107.9690	0.013	2	107.9690	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(CC3)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	107.7850	0.014	2	107.7850	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CC[6a]CC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(CC[6a]CC)(H){1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.7593	0.064	4	108.7593	0.004	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.3468	0.040	6	108.3468	0.002	6	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CF3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CF3)(H){2|C<4>,3|C<3>}	H(C[6]C[6]2H)	109.1900	0.116	4	109.1900	0.013	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CN)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]CN)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2H)	108.8170	0.014	2	108.8738	0.005	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CN)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]CN)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	108.9305	0.033	2	108.8738	0.005	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	107.9530	0.076	2	107.9530	0.006	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(H){1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.5875	0.047	2	109.5875	0.002	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{1|C<3>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.1240	0.000	1	108.9807	1.118	21	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<2>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	110.6460	0.327	2	108.9807	1.118	21	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7877	0.971	18	108.9807	1.118	21	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]FF)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]FF)(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){2|C<4>,2|F<1>}	H(C[6]C[6]2H)	109.4290	0.000	1	109.4290	0.000	1	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CCHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6450	0.020	2	108.6450	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	108.7605	0.039	4	108.7605	0.002	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1050	0.044	2	109.1050	0.002	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.2765	0.032	2	109.2765	0.001	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3030	0.007	2	109.3185	0.149	41	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	109.2790	0.008	3	109.3185	0.149	41	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4094	0.284	16	109.3185	0.149	41	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	109.2403	1.090	4	109.3185	0.149	41	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.1727	0.058	6	109.3185	0.149	41	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2002	0.135	4	109.3185	0.149	41	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3778	0.380	6	109.3185	0.149	41	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|Hf<12>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0563	0.039	4	109.0572	0.034	16	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|Rh<8>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6650	0.014	2	109.0572	0.034	16	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|Ti<12>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2205	0.151	4	109.0572	0.034	16	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|Zr<12>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1545	0.028	2	109.0572	0.034	16	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|Zr<14>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0425	0.025	4	109.0572	0.034	16	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CC[6a]CC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CC[6a]CC)(H){1|Zr<12>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9580	0.006	2	108.9580	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6]2H)	109.0920	0.034	2	109.0920	0.001	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5]O[6]C)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5]O[6]C)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.6955	0.025	2	109.6955	0.001	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CCCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CCCO)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.7960	0.000	1	108.7960	0.000	1	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.1570	0.023	2	109.1385	0.066	18	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|S<2>,1|S<3>,2|H<1>}	H(C[6]C[6]2H)	109.3314	0.116	7	109.1385	0.066	18	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	108.9174	0.264	7	109.1385	0.066	18	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2185	0.006	2	109.1385	0.066	18	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.6400	0.016	2	109.0417	0.113	6	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCCH)(H){1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.1055	0.023	2	109.0417	0.113	6	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCCH)(H){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3795	0.059	2	109.0417	0.113	6	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]AuH)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Au<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]AuH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3225	0.022	2	109.3225	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCCO)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2310	0.000	1	109.2310	0.000	1	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1248	0.025	4	108.8705	0.190	8	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.4590	0.841	2	108.8705	0.190	8	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7735	0.025	2	108.8705	0.190	8	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.2450	0.048	4	109.1732	0.049	33	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0080	0.031	14	109.1732	0.049	33	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4751	0.059	8	109.1732	0.049	33	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6360	0.000	1	109.1732	0.049	33	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<2>,2|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1680	0.024	2	109.1732	0.049	33	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.9630	0.023	4	109.1732	0.049	33	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6985	0.006	2	109.6985	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.0210	0.675	2	109.2358	0.047	25	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3770	0.000	1	109.2358	0.047	25	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.0170	0.000	1	109.2358	0.047	25	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2115	0.134	17	109.2358	0.047	25	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4855	0.005	2	109.2358	0.047	25	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4465	0.019	2	109.2358	0.047	25	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCO)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.0210	0.049	2	108.0210	0.002	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.0890	0.034	2	109.0319	0.041	8	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.0325	0.016	2	109.0319	0.041	8	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0030	0.302	4	109.0319	0.041	8	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1425	0.347	6	109.1425	0.120	6	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.7475	0.066	2	108.7475	0.004	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4040	0.165	3	109.4040	0.027	3	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8003	0.174	4	108.8003	0.030	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CClCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CClCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7945	0.026	2	108.7945	0.001	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCo2C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCo2C)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.1369	0.641	8	109.1369	0.411	8	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	107.9845	0.012	2	108.5072	0.634	6	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7685	0.885	4	108.5072	0.634	6	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1737	0.154	11	109.2007	0.024	13	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHN)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3490	0.049	2	109.2007	0.024	13	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2490	0.000	1	109.1500	0.005	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1170	0.023	3	109.1500	0.005	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHP)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7156	0.256	7	108.7156	0.065	7	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]HH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8420	0.059	2	108.8420	0.004	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[6]HH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0955	0.006	2	109.0955	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|N<3>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0070	0.007	2	109.0070	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5005	0.032	2	108.5005	0.001	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9824	0.841	18	108.9824	0.707	18	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	106.9225	3.601	2	108.3344	4.917	5	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2757	0.164	3	108.3344	4.917	5	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CC[6a]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CC[6a]HH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1283	0.085	3	109.1283	0.007	3	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9760	0.028	2	108.9760	0.001	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.0373	0.480	4	109.0373	0.230	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.2435	0.022	2	109.2435	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.9490	0.000	1	108.9490	0.000	1	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CoH)(C[6]C[6]HH)(CCHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Co<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CoH)(C[6]C[6]HH)(CCHN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6145	0.011	2	109.6145	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]FF)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|F<1>}	C[6](C[6]C[6]FF)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.9545	0.016	2	109.1582	0.038	5	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]FF)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|F<1>}	C[6](C[6]C[6]FF)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.2940	0.083	3	109.1582	0.038	5	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]FeC)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Fe<6>,1|H<1>,3|C<4>}	C[6](C[6]C[6]FeC)(C[6]C[6]HH)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0477	0.312	7	109.0477	0.098	7	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CBr3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CBr3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0400	0.023	2	109.0400	0.001	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2879	0.159	12	109.2879	0.025	12	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2340	0.000	1	109.2340	0.000	1	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1930	0.010	2	108.9515	0.078	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7100	0.007	2	108.9515	0.078	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9605	0.013	2	108.9605	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3335	0.011	2	109.3335	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1000	0.092	2	109.1615	0.009	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2230	0.048	2	109.1615	0.009	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9000	0.206	2	108.9980	0.827	320	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9986	0.912	318	108.9980	0.827	320	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0920	0.025	2	108.8798	0.060	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.6675	0.019	2	108.8798	0.060	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHO)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3475	0.218	4	109.3475	0.047	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6]HO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6]HO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2695	0.013	2	109.2695	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1335	0.045	2	109.1335	0.002	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2991	0.368	7	108.8469	0.726	39	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7479	0.899	32	108.8469	0.726	39	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1862	0.051	5	109.1862	0.003	5	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(H){1|C<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.3770	2.061	2	109.3770	4.246	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HN)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3680	0.000	1	109.3680	0.000	1	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.3580	0.017	3	108.8655	1.048	13	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H){1|Cl<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	106.9130	1.660	2	108.8655	1.048	13	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1689	0.322	8	108.8655	1.048	13	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0389	0.120	7	109.0307	0.011	9	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0020	0.024	2	109.0307	0.011	9	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.0396	0.717	10	109.2011	0.337	17	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4319	0.152	7	109.2011	0.337	17	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5380	0.000	1	109.5380	0.000	1	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|P<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0895	0.021	2	108.9857	0.051	52	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|P<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9816	0.230	50	108.9857	0.051	52	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HW)(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|W<7>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HW)(CC3)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8650	0.000	1	108.8650	0.000	1	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HW)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|W<10>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HW)(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9325	0.039	2	108.9325	0.002	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HW)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|W<7>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HW)(CH3)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3085	0.005	2	109.3085	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]NN)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]NN)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3465	0.029	2	109.3465	0.001	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]OO)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]OO)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4039	0.652	9	109.4039	0.426	9	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8835	0.012	2	109.8835	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0065	0.037	2	109.0065	0.001	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	109.4535	0.006	2	109.6935	0.077	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.9335	0.012	2	109.6935	0.077	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	109.6227	0.072	4	109.4987	0.038	18	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7865	0.040	2	109.4987	0.038	18	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4335	0.030	2	109.4987	0.038	18	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4980	0.047	3	109.4987	0.038	18	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3644	0.207	7	109.4987	0.038	18	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4685	0.400	11	109.4685	0.160	11	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CN[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CN[6]HH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4275	0.012	2	109.4275	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CC)(CC[3]CH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(CC[3]CH)(H){1|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0540	0.025	2	109.0540	0.001	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCCH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6718	0.129	6	109.6718	0.017	6	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCFF)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCFF)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6515	1.933	4	108.6515	3.738	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4964	0.132	14	109.4964	0.018	14	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HO)(CC[6a]CH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HO)(CC[6a]CH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9295	0.042	2	108.9295	0.002	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CBHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CBHN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2205	0.056	4	109.2205	0.003	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CB[5,5]CH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CB[5,5]CH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2810	0.053	3	109.2810	0.003	3	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CB[5]CH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(CB[5]CH)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.3995	2.260	4	108.3995	5.109	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CBrCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CBrCH)(H){1|Br<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3000	0.018	2	109.3000	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CBrHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CBrHH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0100	0.144	2	109.0100	0.021	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CC3)(H){1|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.6217	0.214	4	109.4534	1.245	140	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CC3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6961	0.170	8	109.4534	1.245	140	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(CC3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2903	0.035	3	109.4534	1.245	140	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(CC3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2188	1.478	6	109.4534	1.245	140	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(CC3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4190	1.092	58	109.4534	1.245	140	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)2(CC3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2719	0.095	12	109.4534	1.245	140	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CC3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.8183	1.789	16	109.4534	1.245	140	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CC3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1040	0.117	23	109.4534	1.245	140	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Ti<11>,1|C<4>,1|C<5>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(CC3)(H){1|C<5>,4|H<1>}	H(C[6]C[6]2H)	109.6555	0.033	2	109.4534	1.245	140	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CC3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.9917	0.985	4	109.4534	1.245	140	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(CC3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2262	0.259	4	109.4534	1.245	140	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCCF)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCCF)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3760	0.035	2	109.3760	0.001	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCCH)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4040	0.033	2	109.1726	0.395	57	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1934	0.136	14	109.1726	0.395	57	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0657	0.175	10	109.1726	0.395	57	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1520	0.900	27	109.1726	0.395	57	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCCH)(H){1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	109.3905	0.154	4	109.1726	0.395	57	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCCN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CCCN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3070	0.124	4	109.3070	0.015	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCCO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9420	0.156	4	109.1439	0.065	13	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CCCO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1693	0.238	7	109.1439	0.065	13	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCCO)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4590	0.011	2	109.1439	0.065	13	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCFH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CCFH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2975	0.100	6	109.2975	0.010	6	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6842	1.069	4	109.1501	0.577	230	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1973	0.127	7	109.1501	0.577	230	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1893	1.124	47	109.1501	0.577	230	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.1975	0.201	6	109.1501	0.577	230	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.9778	0.064	4	109.1501	0.577	230	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8175	0.035	2	109.1501	0.577	230	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2442	0.124	4	109.1501	0.577	230	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3872	0.917	4	109.1501	0.577	230	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3270	0.006	2	109.1501	0.577	230	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1111	0.307	124	109.1501	0.577	230	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8740	0.962	4	109.1501	0.577	230	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0154	1.526	22	109.1501	0.577	230	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1293	0.179	6	109.0613	0.659	146	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0584	0.829	140	109.0613	0.659	146	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	107.1625	4.721	2	108.9412	0.928	180	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.3875	0.008	2	108.9412	0.928	180	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9563	0.885	176	108.9412	0.928	180	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[3]CO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CC[3]CO)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6022	0.107	5	109.6022	0.011	5	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[3]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC[3]HH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1724	0.090	8	109.1724	0.008	8	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[3]HO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC[3]HO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3192	0.151	12	109.3192	0.023	12	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[5]BrH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC[5]BrH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3160	0.041	4	109.3160	0.002	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[5]CH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC[5]CH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3179	0.175	32	109.3179	0.031	32	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[5]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]HH)2(CC[5]HH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1113	0.218	3	109.1613	0.013	11	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[5]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC[5]HH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1800	0.058	8	109.1613	0.013	11	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[5]HN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC[5]HN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.4153	1.675	16	110.4153	2.807	16	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[5a]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC[5a]HH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3255	0.207	2	109.3255	0.043	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[6]CC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(CC[6]CC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3367	0.073	8	109.3367	0.005	8	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[6]CH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC[6]CH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6660	0.216	7	108.6660	0.047	7	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[6]CO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC[6]CO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3987	0.115	15	109.3987	0.013	15	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CC[6]HH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8464	0.444	8	109.3207	0.137	37	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC[6]HH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1757	0.163	29	109.3207	0.137	37	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[6]HO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC[6]HO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2758	0.171	10	109.2758	0.029	10	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[6a]CC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(CC[6a]CC)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.6860	0.021	2	109.5007	0.028	12	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[6a]CC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC[6a]CC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.5762	0.078	6	109.5007	0.028	12	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[6a]CC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC[6a]CC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2948	0.039	4	109.5007	0.028	12	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[6a]CH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC[6a]CH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2770	0.114	21	109.2770	0.013	21	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[6a]CO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC[6a]CO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2110	0.048	3	109.2110	0.002	3	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[6a]CS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(CC[6a]CS)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.7473	3.367	4	109.7473	11.339	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[6a]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1701	0.080	7	109.1701	0.006	7	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[6a]HS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC[6a]HS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5020	0.044	4	109.5020	0.002	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CClCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CClCC)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.5495	0.008	2	109.5495	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCoOO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CCoOO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3230	0.117	3	109.3230	0.014	3	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CF3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CF3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8593	0.472	4	108.8593	0.223	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.0750	0.024	2	109.2157	0.609	681	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9430	0.125	4	109.2157	0.609	681	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4255	0.009	2	109.2157	0.609	681	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	108.6804	1.470	5	109.2157	0.609	681	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	110.1040	0.513	2	109.2157	0.609	681	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.1084	0.226	11	109.2157	0.609	681	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.2767	0.294	10	109.2157	0.609	681	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.9745	0.636	2	109.2157	0.609	681	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.1813	0.067	3	109.2157	0.609	681	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2108	0.097	6	109.2157	0.609	681	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.2285	0.062	4	109.2157	0.609	681	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.9421	0.357	7	109.2157	0.609	681	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3732	1.015	6	109.2157	0.609	681	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1534	0.136	8	109.2157	0.609	681	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1156	0.056	13	109.2157	0.609	681	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0575	0.078	4	109.2157	0.609	681	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1260	0.031	4	109.2157	0.609	681	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8575	0.016	2	109.2157	0.609	681	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2537	0.729	27	109.2157	0.609	681	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.1780	0.016	2	109.2157	0.609	681	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|Au<2>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1775	0.022	2	109.2157	0.609	681	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1218	0.103	19	109.2157	0.609	681	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.2850	0.020	2	109.2157	0.609	681	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.1936	0.177	44	109.2157	0.609	681	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.2237	0.916	353	109.2157	0.609	681	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|P<3>,3|H<1>}	H(C[6]C[6]2H)	109.1375	0.028	4	109.2157	0.609	681	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	109.2659	0.183	66	109.2157	0.609	681	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	110.2783	2.383	9	109.2157	0.609	681	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8388	0.730	4	109.2157	0.609	681	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|Fe<6>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5743	0.229	6	109.2157	0.609	681	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0674	0.887	20	109.2157	0.609	681	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|Pt<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3385	0.094	2	109.2157	0.609	681	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|Sn<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1815	0.057	2	109.2157	0.609	681	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|Sn<5>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.4253	0.312	6	109.2157	0.609	681	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2572	0.105	18	109.2157	0.609	681	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CHHI)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CHHI)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2332	0.061	4	109.2332	0.004	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CHHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CHHN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2714	1.176	46	109.2165	0.715	96	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CHHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(CHHN)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.6520	0.034	2	109.2165	0.715	96	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CHHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(CHHN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4656	0.090	7	109.2165	0.715	96	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CHHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CHHN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0475	0.337	24	109.2165	0.715	96	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CHHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CHHN)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1143	0.388	6	109.2165	0.715	96	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CHHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CHHN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3555	0.091	11	109.2165	0.715	96	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CHHO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2299	0.127	15	109.2777	0.028	50	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CHHO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3679	0.198	20	109.2777	0.028	50	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CHHO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2054	0.096	15	109.2777	0.028	50	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CHHP)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CHHP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2132	0.160	69	109.2132	0.026	69	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CMgNN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CMgNN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5247	0.354	8	109.5247	0.126	8	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CMnOO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CMnOO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0777	0.212	3	109.0777	0.045	3	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CNPU)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CNPU)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9025	0.425	4	108.9025	0.181	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CN[5]CH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CN[5]CH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0083	0.190	4	109.0083	0.036	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CN[5]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CN[5]HH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3170	0.178	11	109.2468	0.036	46	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CN[5]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CN[5]HH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2247	0.190	35	109.2468	0.036	46	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CN[5a]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CN[5a]HH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2986	0.067	10	109.2986	0.004	10	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CN[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CN[6]HH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.4205	1.126	4	108.4205	1.268	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(COsCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(COsCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2067	0.156	4	109.2067	0.024	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CThCP)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CThCP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7035	0.156	4	109.7035	0.024	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]IrH)(C[6]C[6]HH)(CHHP)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Ir<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]IrH)(C[6]C[6]HH)(CHHP)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9873	0.089	4	109.0011	0.086	27	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]IrH)(C[6]C[6]HH)(CHHP)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Ir<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]IrH)(C[6]C[6]HH)(CHHP)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7927	0.261	12	109.0011	0.086	27	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]IrH)(C[6]C[6]HH)(CHHP)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Ir<5>,1|C<4>,3|H<1>}	C[6](C[6]C[6]IrH)(C[6]C[6]HH)(CHHP)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2335	0.187	11	109.0011	0.086	27	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6]2H)	109.1331	0.294	44	109.1331	0.086	44	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(CC[6a]HN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(CC[6a]HN)(H){3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0935	0.308	4	109.0935	0.095	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|P<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2480	0.038	2	109.2480	0.001	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|P<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.1060	0.011	2	108.9423	0.062	12	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|P<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(CCCH)(H){1|B<4>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	108.9763	0.284	6	108.9423	0.062	12	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|P<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(CCCH)(H){1|Pd<4>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	108.8095	0.225	4	108.9423	0.062	12	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]PdH)(C[6]C[6]HH)(CHHP)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Pd<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]PdH)(C[6]C[6]HH)(CHHP)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0833	0.275	11	109.0833	0.076	11	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]PtH)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Pt<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]PtH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3970	0.011	2	109.3970	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]PtH)(C[6]C[6]HH)(CHHP)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Pt<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]PtH)(C[6]C[6]HH)(CHHP)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3690	0.099	4	109.3690	0.010	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(CHHO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8970	0.021	2	108.8970	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]SnH)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Sn<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]SnH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1885	0.011	2	108.8346	0.079	8	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]SnH)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Sn<5>,2|C<4>,2|H<1>}	C[6](C[6]C[6]SnH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7167	0.210	6	108.8346	0.079	8	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1930	0.016	2	109.1930	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0537	0.067	3	109.0537	0.004	3	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHHO)(H){2|H<1>,4|C<3>}	H(C[6]C[6]2H)	110.9695	0.476	2	110.9695	0.226	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(CHHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(CHHN)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.0637	0.347	10	109.0637	0.120	10	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC3)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.8175	0.013	2	108.8175	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.8590	0.000	1	109.8590	0.000	1	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.1160	0.034	2	109.0727	0.006	3	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.9860	0.000	1	109.0727	0.006	3	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2865	0.025	2	109.2770	0.078	8	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.0615	0.041	4	109.2770	0.078	8	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6985	0.009	2	109.2770	0.078	8	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CCCN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CCCN)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0765	0.032	2	109.0765	0.001	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.1730	0.143	4	109.1730	0.021	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.8825	0.037	2	108.8825	0.001	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	109.7540	0.000	1	109.7540	0.000	1	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(CCCN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCCN)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.4410	0.034	2	109.4410	0.001	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4375	0.057	12	109.4375	0.003	12	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4600	0.008	2	109.3342	0.021	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2085	0.023	2	109.3342	0.021	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	108.6045	0.165	2	108.6045	0.027	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	101.2715	1.382	2	101.2715	1.911	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.1330	0.020	2	109.3757	0.079	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|I<1>,1|O<2>}	H(C[6]C[6]2H)	109.6185	0.039	2	109.3757	0.079	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.0890	0.024	2	109.0890	0.001	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.2980	0.055	2	108.2980	0.003	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	107.7050	1.882	2	107.7050	3.543	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.3860	0.176	4	109.3860	0.031	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1655	0.019	2	109.1655	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.5620	0.000	1	109.5620	0.000	1	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.1510	0.000	1	109.1510	0.000	1	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	H(C[6]C[6]2H)	108.6977	0.079	4	108.6977	0.006	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CC)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.9609	0.221	22	109.9609	0.049	22	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(CC3)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.0855	0.019	2	108.0855	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCCH)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	110.7885	1.233	4	110.9882	1.029	6	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CCCH)(H){1|Si<4>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	111.3875	0.320	2	110.9882	1.029	6	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(CCCN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HH)2(CCCN)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.3140	0.025	2	108.3140	0.001	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(CCCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCCO)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.1780	0.033	2	109.1780	0.001	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(CCHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.2330	0.086	2	109.2330	0.007	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(CC[6a]CC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC[6a]CC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4590	0.158	5	109.4590	0.025	5	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<2>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.2960	0.028	2	109.1933	0.501	353	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.3003	0.166	3	109.1933	0.501	353	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.8915	0.062	2	109.1933	0.501	353	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.1942	0.716	344	109.1933	0.501	353	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0690	0.014	2	109.1933	0.501	353	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCCH)(H){1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	108.9665	0.108	4	108.9665	0.012	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|P<3>,3|H<1>}	H(C[6]C[6]2H)	108.9030	0.013	2	109.0017	0.044	54	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	109.0055	0.214	52	109.0017	0.044	54	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HW)(H)2	C[6](C[6]C[6]HH)2(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HW)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CC3)(H){1|W<7>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9410	0.028	2	108.9410	0.001	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]NN)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]NN)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.4590	0.007	2	108.4590	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]OO)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]OO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	110.0981	2.634	10	110.0981	6.940	10	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	108.4830	0.052	2	108.4830	0.003	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|N<3>,1|P<4>,2|H<1>}	H(C[6]C[6]2H)	109.0615	0.013	2	109.0615	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.7797	0.313	3	108.7797	0.098	3	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(CC[6a]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.8270	0.000	1	108.8270	0.000	1	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	108.7600	0.014	2	108.7752	0.001	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.7905	0.026	2	108.7752	0.001	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(CHHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CHHN)(H){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	H(C[6]C[6]2H)	110.0290	0.008	2	110.0290	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CHHO)(H){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6230	0.060	4	109.6230	0.004	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<2>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.3815	0.008	2	109.3815	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.1130	0.000	1	109.1130	0.000	1	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4445	0.039	2	109.4445	0.002	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.6455	0.161	2	109.6455	0.026	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.1310	0.011	2	109.1310	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.3950	0.014	2	109.0825	0.059	6	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	108.9262	0.024	4	109.0825	0.059	6	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCFH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCFH)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.4280	0.186	6	109.4280	0.035	6	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.4413	1.185	12	109.0792	0.197	116	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5120	0.010	2	109.0792	0.197	116	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	108.9680	0.114	16	109.0792	0.197	116	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.0631	0.246	72	109.0792	0.197	116	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	H(C[6]C[6]2H)	108.9166	0.120	14	109.0792	0.197	116	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[5]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CC[5]HH)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.0819	0.073	7	109.1473	0.009	19	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[5]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CC[5]HH)(H){1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.1854	0.090	12	109.1473	0.009	19	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[6a]2O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CC[6a]2O)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.2817	0.205	4	109.2817	0.042	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[6a]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.4396	1.683	8	109.4066	1.540	14	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[6a]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.6035	0.005	2	109.4066	1.540	14	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[6a]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.2422	0.026	4	109.4066	1.540	14	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCdOO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CCdOO)(H){1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.3342	0.103	4	109.3342	0.011	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(CF3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CF3)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.4917	0.063	3	109.4917	0.004	3	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.9990	0.008	2	109.2114	0.075	183	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.2040	0.337	101	109.2114	0.075	183	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,1|P<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.2101	0.201	9	109.2114	0.075	183	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3975	0.006	2	109.2114	0.075	183	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4875	0.018	2	109.2114	0.075	183	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.3140	0.051	19	109.2114	0.075	183	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.1270	0.142	24	109.2114	0.075	183	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.2255	0.172	24	109.2114	0.075	183	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(CHHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CHHN)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.2289	0.160	7	109.5795	0.489	31	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(CHHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CHHN)(H){1|N<4>,4|H<1>}	H(C[6]C[6]2H)	109.6817	0.763	24	109.5795	0.489	31	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CHHO)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	108.9310	0.311	4	109.3742	0.328	11	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CHHO)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.6274	0.541	7	109.3742	0.328	11	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH)(H){1|N<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1835	0.016	2	109.1835	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(CH3)(H){1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1985	0.029	2	109.1985	0.001	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.0980	0.020	2	109.0980	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.0875	0.045	2	109.0875	0.002	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.4930	0.023	2	109.0318	0.184	6	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2H)	108.6550	0.109	3	109.0318	0.184	6	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.2400	0.000	1	109.0318	0.184	6	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	107.9245	1.384	2	107.9245	1.915	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HH)(H){1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.4032	0.171	4	109.4032	0.029	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H){1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.4693	2.364	4	108.4693	5.590	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCHN)(H){1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.4275	0.194	4	109.4275	0.038	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]S[6]HH)(H)2{1|B<5>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(H){1|S<3>,4|H<1>}	H(C[6]C[6]2H)	109.9480	1.746	4	109.1931	1.277	11	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]S[6]HH)(H)2{1|B<6>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(H){1|S<3>,4|H<1>}	H(C[6]C[6]2H)	108.7617	0.087	7	109.1931	1.277	11	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0065	0.005	2	109.0065	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.8458	0.071	4	108.8458	0.005	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.2295	0.081	2	108.2295	0.007	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.0667	0.335	4	108.7176	0.444	12	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.2290	0.075	2	108.7176	0.444	12	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<2>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.6765	0.613	2	108.7176	0.444	12	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.1333	0.023	4	108.7176	0.444	12	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7827	0.073	3	109.7827	0.005	3	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8175	0.009	2	108.8175	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0215	0.021	2	109.0050	0.003	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|Pt<4>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9885	0.080	2	109.0050	0.003	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.8195	1.868	8	108.8195	3.490	8	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.2430	0.007	2	109.2430	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HW)(CF3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<4>,1|W<7>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HW)(CF3)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1120	0.000	1	109.1120	0.000	1	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2510	0.004	2	109.2510	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.3857	0.066	3	109.2368	0.019	21	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2380	0.138	14	109.2368	0.019	21	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|Au<2>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.1210	0.037	4	109.2368	0.019	21	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	H(C[6]C[6]2H)	108.9291	0.185	8	108.9291	0.034	8	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CO)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]CO)(CH3)(H){1|H<1>,2|C<4>}	H(C[6]C[6]2H)	108.8420	0.016	4	108.8420	0.000	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)2(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(CC3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.3975	0.312	2	109.7780	0.544	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)2(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<4>,1|W<7>,3|H<1>}	C[6](C[6]C[6]HH)2(CC3)(H){1|W<7>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1585	0.005	2	109.7780	0.544	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9380	0.016	2	109.7652	0.663	6	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	110.1788	0.649	4	109.7652	0.663	6	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)2(CCHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2646	0.047	5	109.2646	0.002	5	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.3305	1.330	8	109.0671	0.325	53	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9472	0.288	4	109.0671	0.325	53	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.9066	0.239	5	109.0671	0.325	53	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0048	0.171	8	109.0671	0.325	53	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0048	0.040	4	109.0671	0.325	53	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<2>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.9000	1.519	2	109.0671	0.325	53	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1056	0.194	17	109.0671	0.325	53	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9647	0.060	3	109.0671	0.325	53	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|Pt<4>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0225	0.015	2	109.0671	0.325	53	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)2(CHHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CHHN)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2122	0.161	5	109.1961	0.437	9	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)2(CHHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CHHN)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1760	1.063	4	109.1961	0.437	9	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.2260	0.000	1	109.1698	0.047	10	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.3152	0.038	6	109.1698	0.047	10	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8603	0.029	3	109.1698	0.047	10	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.8848	0.180	6	108.8848	0.032	6	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClC)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC3)(H){1|Cl<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.2610	0.030	2	108.2610	0.001	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]FeC)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FeC)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|Fe<6>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5432	0.217	6	108.5432	0.047	6	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]FeH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CFeHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FeH)(C[6]C[6]CH)(H)2{4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CFeHH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.9830	0.085	6	109.9830	0.007	6	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.6917	0.262	44	108.6917	0.069	44	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	109.1630	0.021	2	109.1630	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]P[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]CH)(H)2{1|B<4>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	108.9740	0.097	6	109.0048	0.050	12	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]P[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|P<3>,3|H<1>}	H(C[6]C[6]2H)	108.7025	0.013	2	109.0048	0.050	12	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]P[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]CH)(H)2{1|Pd<4>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	109.2020	0.228	4	109.0048	0.050	12	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]PtC)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]PtC)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|Pt<4>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.5040	0.054	2	108.5040	0.003	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]PtH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]PtH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|Pt<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0680	0.006	2	109.0680	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SiH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CCCH)(H){1|Si<4>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.3325	0.274	2	108.3325	0.075	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SiH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|Si<4>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	108.7795	0.035	2	108.8385	0.005	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SiH)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|Si<4>,1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	108.8975	0.012	2	108.8385	0.005	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]SnH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SnH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|Sn<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0380	0.011	2	108.8182	0.117	6	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]SnH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SnH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|Sn<5>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7083	0.383	4	108.8182	0.117	6	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0065	0.023	2	109.0065	0.001	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0627	0.035	3	109.0627	0.001	3	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHO)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.2007	0.018	4	109.2007	0.000	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)2(CCCH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9525	0.046	4	108.9525	0.002	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8685	0.074	2	108.9000	0.002	6	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9150	0.021	2	108.9000	0.002	6	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{3|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	108.9165	0.022	2	108.9000	0.002	6	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	109.3003	0.059	4	109.3003	0.004	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.5280	0.000	1	108.2930	0.112	5	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.2343	0.356	4	108.2930	0.112	5	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.4850	0.037	2	108.8533	0.408	3	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5900	0.000	1	108.8533	0.408	3	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CHHI)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)2(CHHI)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.3293	0.131	4	109.3293	0.017	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|O<2>,3|C<3>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4075	0.009	2	109.4075	0.000	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.0564	0.199	7	109.1089	0.041	9	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.2925	0.015	2	109.1089	0.041	9	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.1780	0.025	2	109.1780	0.001	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]CH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4015	2.727	2	109.4015	7.438	2	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.3685	0.015	2	109.2445	0.021	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.1205	0.028	2	109.2445	0.021	4	109.1537	0.588	5160	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(O){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.8185	0.046	2	108.8185	0.002	2	108.8615	0.003	4	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.9045	0.015	2	108.9045	0.000	2	108.8615	0.003	4	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:F-1:	C[6]-4:	C[6](C[6]C[6]2F)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]2O)(C[6]C[6]HH)2(F)	H(C[6]C[6]2H)	C[6](C[6]C[6]2F)(C[6]O[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6]2O)(C[6]C[6]HH)2(F){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	H(C[6]C[6]2H)	106.2127	3.961	4	106.2127	15.686	4	106.2127	15.686	4	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]2H)(H)2{3|H<1>,5|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){3|C<4>,8|H<1>}	H(C[6]C[6]2H)	109.1947	0.047	4	109.1947	0.002	4	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]2H)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]2H)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]2C)(C[6]C[6]HH)(H){5|C<4>,6|H<1>}	H(C[6]C[6]2H)	107.9615	0.008	2	107.9615	0.000	2	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){5|C<4>,6|H<1>}	H(C[6]C[6]2H)	108.9530	0.000	1	108.9530	0.000	1	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.7905	0.011	2	108.8732	0.009	4	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,2|O<1>,4|C<4>}	H(C[6]C[6]2H)	108.9560	0.000	2	108.8732	0.009	4	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6]2H)	109.3540	0.059	4	109.3540	0.004	4	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6a]2H)(C[6]C[6]HH)2(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.9529	1.665	8	108.9529	2.773	8	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]C[6,6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6a]C[6,6]H)(C[6]C[6]HH)2(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3250	0.093	4	109.3250	0.009	4	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)2(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.0997	0.015	3	109.2767	0.038	6	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.4537	0.039	3	109.2767	0.038	6	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]N[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6,6a]N[6]H)(C[6]C[6]HH)2(H){1|C<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3702	0.260	8	109.5296	0.140	12	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]N[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6,6a]N[6]H)(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8483	0.389	4	109.5296	0.140	12	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]N[6]H)(C[6]C[6]N[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<4>,4|H<1>}	C[6](C[6]C[6,6a]N[6]H)(C[6]C[6]N[6]H)(C[6]C[6]HH)(H){1|S<4>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.9075	0.613	2	108.9075	0.376	2	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2C)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]2C)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.6585	0.280	4	109.5836	0.033	12	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2C)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]2C)(C[6]C[6]HH)2(H){1|C<4>,2|N<3>,2|O<1>,4|H<1>}	H(C[6]C[6]2H)	109.5461	0.113	8	109.5836	0.033	12	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2535	0.005	2	109.2535	0.000	2	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]CH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]CH)(H){1|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6]2H)	109.3735	0.019	2	109.3735	0.000	2	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){3|C<4>,8|H<1>}	H(C[6]C[6]2H)	109.0648	0.385	4	109.4559	1.290	79	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.0290	0.172	7	109.4559	1.290	79	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1795	0.088	4	109.4559	1.290	79	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,8|H<1>}	H(C[6]C[6]2H)	111.2615	4.006	2	109.4559	1.290	79	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){3|C<4>,8|H<1>}	H(C[6]C[6]2H)	109.0901	0.311	12	109.4559	1.290	79	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	H(C[6]C[6]2H)	109.2987	0.086	6	109.4559	1.290	79	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,8|H<1>}	H(C[6]C[6]2H)	109.9625	1.667	24	109.4559	1.290	79	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,7|H<1>}	H(C[6]C[6]2H)	109.4057	0.151	7	109.4559	1.290	79	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.0377	0.336	3	109.4559	1.290	79	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){3|C<4>,8|H<1>}	H(C[6]C[6]2H)	109.1388	0.201	10	109.4559	1.290	79	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2N)(C[6]C[6]CN)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[6](C[6]C[6]2N)(C[6]C[6]CN)(C[6]C[6]HH)(H){3|C<4>,8|H<1>}	H(C[6]C[6]2H)	108.8695	0.032	2	108.8695	0.001	2	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(H){3|C<4>,8|H<1>}	H(C[6]C[6]2H)	109.2623	0.275	3	109.2623	0.075	3	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(C[6]O[6]2H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,2|O<2>,5|H<1>}	C[6](C[6]C[6]HH)2(C[6]O[6]2H)(H){3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.3135	2.026	6	108.3135	4.104	6	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,4|H<1>}	C[6](C[6]C[6]N[6]C)(C[6]C[6]HH)2(H){1|O<1>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	110.5310	1.496	2	109.6785	1.715	4	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6]N[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	H(C[6]C[6]2H)	108.8260	0.020	2	109.6785	1.715	4	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]HO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|N<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]HO)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2280	0.025	2	109.2280	0.001	2	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)2(H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3042	0.122	8	109.2799	0.015	16	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|S<4>,7|H<1>}	H(C[6]C[6]2H)	109.2556	0.126	8	109.2799	0.015	16	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4485	0.022	2	109.4485	0.000	2	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6]2H)	109.3625	0.012	2	109.4458	0.895	25	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H){1|Br<1>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4400	1.648	4	109.4458	0.895	25	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.2537	0.021	6	109.4458	0.895	25	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H){1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	110.1435	1.891	4	109.4458	0.895	25	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H){1|S<4>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.4547	0.083	3	109.4458	0.895	25	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2157	0.130	4	109.4458	0.895	25	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H){3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.1685	0.009	2	109.4458	0.895	25	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]N[5,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.0907	0.327	8	109.0907	0.107	8	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]O[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[6]N[5a,6]O[6]H)(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1943	0.023	3	109.1943	0.001	3	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]N[6,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|S<4>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.1902	0.088	4	109.1902	0.008	4	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]O[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[6]N[6]O[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2223	0.036	4	109.2223	0.001	4	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|N<4>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.8940	0.000	1	109.8940	0.000	1	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|N<3>,2|C<4>,8|H<1>}	H(C[6]C[6]2H)	109.4399	0.616	9	109.2416	0.275	76	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|N<4>,2|C<4>,8|H<1>}	H(C[6]C[6]2H)	109.2224	0.525	63	109.2416	0.275	76	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|N<4>,2|C<4>,8|H<1>}	H(C[6]C[6]2H)	109.0970	0.029	4	109.2416	0.275	76	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){2|C<3>,2|O<2>,6|H<1>}	H(C[6]C[6]2H)	109.3790	0.059	3	109.3790	0.003	3	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]O[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<1>,2|O<2>}	H(C[6]C[6]2H)	109.9320	0.138	7	109.9320	0.019	7	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]O[6]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H){1|C<4>,2|H<1>,2|O<1>,2|O<2>}	H(C[6]C[6]2H)	109.9405	0.023	2	109.6724	0.077	10	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H){2|C<4>,3|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.6054	0.270	8	109.6724	0.077	10	109.3311	0.675	318	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HN)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(NH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8307	0.080	8	109.8307	0.006	8	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCHH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.5300	0.025	2	108.5300	0.001	2	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(NCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(NCHH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2810	0.486	8	109.2810	0.236	8	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.0263	0.061	4	110.0339	0.002	8	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.0415	0.012	4	110.0339	0.002	8	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(NH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(NH3)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	106.1290	3.728	2	106.1290	13.897	2	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(NH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(NH3)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5360	0.007	2	109.5360	0.000	2	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NH3)(H){5|C<4>}	H(C[6]C[6]2H)	109.3185	1.625	11	109.3185	2.641	11	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NIrCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NIrCH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1933	0.088	4	109.1933	0.008	4	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCHH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8840	0.045	2	108.8840	0.002	2	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6155	0.013	2	109.6155	0.000	2	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5773	0.034	3	109.5773	0.001	3	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.9845	0.009	2	109.9845	0.000	2	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4927	0.234	3	109.4927	0.055	3	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]FH)(C[6]C[6]HH)(NCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(NCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5225	0.013	2	109.5225	0.000	2	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8500	0.130	3	109.8500	0.017	3	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5597	0.103	27	109.5597	0.011	27	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.2212	1.009	10	110.0577	0.978	12	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2400	0.025	2	110.0577	0.978	12	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5980	0.308	4	109.2070	2.663	40	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1636	1.715	36	109.2070	2.663	40	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6a]CoC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6a]CoC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1402	0.054	4	109.1402	0.003	4	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6a]FeC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6a]FeC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2675	0.154	4	109.2675	0.024	4	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6a]MnC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6a]MnC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9543	0.054	3	108.9543	0.003	3	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCdCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCdCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1772	0.129	10	109.1772	0.017	10	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCdCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCdCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9520	0.160	5	108.9520	0.025	5	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCdHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCdHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5340	0.000	1	109.5340	0.000	1	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5915	0.036	2	109.5915	0.001	2	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3810	0.239	6	109.6863	0.069	21	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8085	0.149	15	109.6863	0.069	21	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCrHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCrHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6117	0.153	25	109.6117	0.024	25	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3239	0.362	73	109.3239	0.131	73	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	107.3905	1.682	2	109.2633	0.767	20	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4714	0.481	18	109.2633	0.767	20	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8375	0.042	2	109.3770	0.078	17	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3156	0.233	15	109.3770	0.078	17	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2967	0.183	29	109.2967	0.033	29	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5607	0.104	4	109.5607	0.011	4	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2768	0.107	4	109.1797	0.022	8	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0828	0.123	4	109.1797	0.022	8	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3890	0.000	1	109.1819	0.253	81	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5051	0.146	12	109.1819	0.253	81	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1218	0.525	68	109.1819	0.253	81	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHgCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHgCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9312	0.319	16	108.9312	0.102	16	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHgCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHgCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9535	0.018	2	108.9535	0.000	2	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHgHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHgHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3795	0.013	2	109.3795	0.000	2	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NIrHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NIrHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.0920	0.066	2	109.3989	0.191	20	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NIrHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NIrHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3219	0.388	18	109.3989	0.191	20	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NLi2C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NLi2C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1208	0.170	4	109.1208	0.029	4	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NLiCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NLiCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1802	0.305	91	109.1802	0.093	91	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NLiSiH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NLiSiH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9207	0.183	4	108.9207	0.034	4	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMgCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMgCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3360	0.047	3	109.3360	0.002	3	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2144	0.250	21	109.2144	0.062	21	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4497	0.034	4	109.3870	0.018	14	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3619	0.150	10	109.3870	0.018	14	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMoCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMoCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7670	0.000	1	109.7670	0.000	1	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3949	0.155	8	109.3949	0.024	8	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4340	0.222	29	109.4340	0.049	29	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2960	0.010	2	109.3522	0.011	19	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3588	0.109	17	109.3522	0.011	19	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPdCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPdCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5624	0.281	8	109.5624	0.079	8	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPdHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPdHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4300	0.144	4	109.4300	0.021	4	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPtHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPtHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5605	0.427	89	109.5605	0.182	89	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRhCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRhCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8125	0.018	2	109.8125	0.000	2	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRuCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRuCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5667	0.153	8	109.5667	0.023	8	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRuCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRuCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4903	0.211	4	109.4903	0.044	4	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRuHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRuHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4027	0.134	14	109.4027	0.018	14	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NSiSnC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NSiSnC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6125	0.022	2	109.6125	0.000	2	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NSnHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NSnHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0320	0.000	1	109.0320	0.000	1	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6921	0.156	14	109.3314	0.079	112	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2798	0.255	98	109.3314	0.079	112	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3477	1.002	4	109.1580	0.239	21	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1134	0.316	17	109.1580	0.239	21	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3724	0.091	8	109.3724	0.008	8	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0600	0.795	2	109.0600	0.632	2	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7530	0.018	2	109.7530	0.000	2	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6885	0.032	2	109.6885	0.001	2	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCuCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCuCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6082	0.082	4	109.6082	0.007	4	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.6090	0.016	2	109.6090	0.000	2	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2920	0.017	2	109.8978	0.155	8	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.0997	0.144	6	109.8978	0.155	8	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6620	0.041	4	109.6620	0.002	4	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7270	0.586	24	109.7270	0.344	24	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)2(NCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5190	0.092	7	109.4416	0.321	94	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4354	0.588	87	109.4416	0.321	94	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NC[6]CH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6]CH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6343	0.109	6	109.6343	0.012	6	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NC[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(NC[6]HH)(H){1|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5378	0.164	4	109.5211	0.134	553	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NC[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6]HH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5209	0.367	549	109.5211	0.134	553	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NC[6]PdC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6]PdC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7254	0.297	7	109.7254	0.088	7	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NC[6]PdH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6]PdH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4910	0.128	8	109.4910	0.016	8	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NCoCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NCoCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7095	0.227	4	109.7095	0.051	4	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NCuCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NCuCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3648	0.247	14	109.3648	0.061	14	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<2>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(NH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3387	0.023	3	109.4167	0.637	442	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(NH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4118	0.351	25	109.4167	0.637	442	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(NH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8239	1.466	11	109.4167	0.637	442	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)2(NH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3505	0.937	100	109.4167	0.637	442	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(NH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9280	1.136	11	109.4167	0.637	442	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6150	0.008	2	109.4167	0.637	442	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4765	0.725	283	109.4167	0.637	442	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(NH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6363	0.059	7	109.4167	0.637	442	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NHHO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3340	0.037	3	109.3340	0.001	3	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NHHS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NHHS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.9115	0.021	4	109.9115	0.000	4	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NLi2C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NLi2C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1074	0.161	10	109.1074	0.026	10	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NLiPrC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NLiPrC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3192	0.174	10	109.3192	0.030	10	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NMg2C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NMg2C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1780	0.368	12	109.1780	0.135	12	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NMn2Sb)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NMn2Sb)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3568	0.094	4	109.3568	0.009	4	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NMnSb2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NMnSb2)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4057	0.257	4	109.4057	0.066	4	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NNiCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NNiCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8303	0.166	4	109.8303	0.027	4	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NPdHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NPdHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3501	0.144	11	109.3501	0.021	11	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NPtCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NPtCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4465	0.236	11	109.4465	0.056	11	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NPtHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)2(NPtHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5043	0.216	3	108.8938	4.402	21	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NPtHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NPtHH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	103.1465	3.832	2	108.8938	4.402	21	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NPtHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NPtHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4977	0.128	16	108.8938	4.402	21	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NRuCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)2(NRuCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5560	0.080	3	109.5560	0.006	3	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NSbCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NSbCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6563	0.144	14	109.6563	0.021	14	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(NZnCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NZnCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4307	0.231	44	109.4307	0.053	44	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(NCuHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NCuHH)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.9523	0.208	12	108.9523	0.043	12	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(NC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(NC3)(H){1|N<3>,4|C<4>}	H(C[6]C[6]2H)	109.2479	0.159	9	109.2479	0.025	9	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(NC[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(NC[6]HH)(H){1|N<3>,4|C<4>}	H(C[6]C[6]2H)	109.1285	0.008	2	109.1285	0.000	2	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)2(NH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NH3)(H){1|N<4>,4|C<4>}	H(C[6]C[6]2H)	109.0169	0.545	10	109.0169	0.297	10	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(NCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(NCCH)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.3773	0.065	3	109.3773	0.004	3	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)2(NH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(NH3)(H){1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.9871	0.531	8	109.9871	0.282	8	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPdHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPdHH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.2158	0.297	6	109.2158	0.088	6	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPtHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPtHH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.5323	0.313	4	109.5323	0.098	4	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.1000	0.040	4	109.1000	0.002	4	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]P[6]FH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(NH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]P[6]FH)(H)2{1|O<2>,2|H<1>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(NH3)(H){1|F<1>,1|H<1>,1|P<4>}	H(C[6]C[6]2H)	108.5610	0.010	4	108.5610	0.000	4	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)2(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.3940	0.277	7	109.5515	0.064	15	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)2(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.6894	0.127	8	109.5515	0.064	15	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(H)2	C[6](C[6]C[6]HH)2(NAl2C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NAl2C)(H){1|C<4>,1|N<3>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	109.1016	0.319	12	109.1016	0.102	12	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(H)2	C[6](C[6]C[6]HH)2(NCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NCHH)(H){1|C<4>,2|H<1>,2|N<4>}	H(C[6]C[6]2H)	109.9841	0.074	9	109.9841	0.005	9	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(H)2	C[6](C[6]C[6]HH)2(NCrHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NCrHH)(H){1|C<4>,1|N<3>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	108.3281	3.221	8	108.3281	10.377	8	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(H)2	C[6](C[6]C[6]HH)2(NCuCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)2(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(NCuCH)(H){1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	107.3217	1.221	8	108.3585	4.787	41	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(H)2	C[6](C[6]C[6]HH)2(NCuCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NCuCH)(H){1|C<4>,2|H<1>,2|N<4>}	H(C[6]C[6]2H)	108.6098	2.307	33	108.3585	4.787	41	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(H)2	C[6](C[6]C[6]HH)2(NCuHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NCuHH)(H){1|C<4>,1|N<3>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	108.8043	4.101	23	108.8878	10.895	35	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(H)2	C[6](C[6]C[6]HH)2(NCuHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NCuHH)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.0479	0.035	12	108.8878	10.895	35	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(H)2	C[6](C[6]C[6]HH)2(NFeHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NFeHH)(H){1|C<4>,2|H<1>,2|N<4>}	H(C[6]C[6]2H)	108.4765	0.141	11	108.4765	0.020	11	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(H)2	C[6](C[6]C[6]HH)2(NH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NH3)(H){1|C<4>,2|H<1>,2|N<4>}	H(C[6]C[6]2H)	109.0413	0.214	15	109.0413	0.046	15	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(H)2	C[6](C[6]C[6]HH)2(NNiCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NNiCC)(H){1|C<4>,2|H<1>,2|N<4>}	H(C[6]C[6]2H)	108.3721	0.049	9	108.3721	0.002	9	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(H)2	C[6](C[6]C[6]HH)2(NPdHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NPdHH)(H){1|C<4>,2|H<1>,2|N<4>}	H(C[6]C[6]2H)	108.9512	0.223	64	108.9512	0.050	64	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(H)2	C[6](C[6]C[6]HH)2(NPtHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NPtHH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	111.1750	0.290	2	111.1750	0.084	2	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(H)2	C[6](C[6]C[6]HH)2(NRuHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NRuHH)(H){1|C<4>,2|H<1>,2|N<4>}	H(C[6]C[6]2H)	108.7823	0.125	40	108.7823	0.016	40	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(H)2	C[6](C[6]C[6]HH)2(NZnCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NZnCC)(H){1|C<4>,2|H<1>,2|N<4>}	H(C[6]C[6]2H)	108.3285	0.012	2	108.3285	0.000	2	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(H)2	C[6](C[6]C[6]HH)2(NZnCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NZnCH)(H){1|C<4>,2|H<1>,2|N<4>}	H(C[6]C[6]2H)	108.7428	0.030	4	108.7428	0.001	4	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HN)(H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(NH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HN)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(NH3)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	109.7280	0.010	2	109.7280	0.000	2	109.3555	0.616	2617	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6,6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(N[5]C[5]2C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(N[5]C[5]2C)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	110.0135	0.021	2	110.0135	0.000	2	109.5375	0.255	6	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[5]C[5]2H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[5]C[5]2H)(H){3|C<4>,8|H<1>}	H(C[6]C[6]2H)	109.6830	0.037	2	109.6830	0.001	2	109.5375	0.255	6	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(N[5]C[5]2H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]O[6]HH)(H)2{2|H<1>,4|C<4>}	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(N[5]C[5]2H)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	H(C[6]C[6]2H)	108.9160	0.071	2	108.9160	0.005	2	109.5375	0.255	6	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]2H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]2H)(H){1|C<3>,1|N<2>,3|C<4>,9|H<1>}	H(C[6]C[6]2H)	107.4840	0.453	2	107.4840	0.205	2	109.1824	0.524	19	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[6]C[6]2H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[6]C[6]2H)(H){3|C<4>,8|H<1>}	H(C[6]C[6]2H)	109.3397	0.290	3	109.3397	0.084	3	109.1824	0.524	19	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[6]C[6]2H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2H)(H){3|C<4>,8|H<1>}	H(C[6]C[6]2H)	108.8590	0.059	3	109.5009	0.378	7	109.1824	0.524	19	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(N[6]C[6]2H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2H)(H){3|C<4>,8|H<1>}	H(C[6]C[6]2H)	109.9822	0.182	4	109.5009	0.378	7	109.1824	0.524	19	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]HH)(H){3|C<4>,8|H<1>}	H(C[6]C[6]2H)	109.4000	0.203	3	109.4000	0.041	3	109.1824	0.524	19	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]N[6,6]HH)(H)2	C[6](C[6]C[6]HH)2(N[6]C[6]2H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]N[6,6]HH)(H)2{3|H<1>,5|C<4>}	C[6](C[6]C[6]HH)2(N[6]C[6]2H)(H){1|N<4>,2|C<4>,8|H<1>}	H(C[6]C[6]2H)	109.1933	0.083	4	109.1933	0.007	4	109.1824	0.524	19	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OLiMg2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(OLiMg2)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2354	0.118	9	109.2354	0.014	9	109.3119	0.034	13	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(OMg3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(OMg3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4840	0.203	4	109.4840	0.041	4	109.3119	0.034	13	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(PC[6a]2O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HP)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(PC[6a]2O)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6530	0.000	1	109.6530	0.000	1	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(PC[6a]CO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HP)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(PC[6a]CO)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6225	0.011	2	109.6225	0.000	2	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PBHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PBHH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1100	0.021	2	109.1100	0.000	2	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]2H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]2H)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2965	0.026	2	109.2965	0.001	2	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]2O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]2O)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0472	0.064	5	109.0472	0.004	5	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]2Ru)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]2Ru)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2626	0.086	5	109.2626	0.007	5	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]BC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]BC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8038	0.069	4	108.8038	0.005	4	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]BO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]BO)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1057	0.089	6	109.1057	0.008	6	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]CO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]CO)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9459	0.168	17	108.9459	0.028	17	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]PdC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]PdC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6360	0.020	2	108.6360	0.000	2	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PPtCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PPtCC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1930	0.262	4	109.1930	0.069	4	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(PC[6]2O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(PC[6]2O)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3180	0.219	4	109.3180	0.048	4	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(PC[6a]2B)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(PC[6a]2B)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0078	0.132	4	109.0078	0.017	4	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(PC[6a]HO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(PC[6a]HO)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2589	0.210	7	109.2589	0.044	7	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|B<4>,4|H<1>}	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC3)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5905	0.037	2	109.5905	0.001	2	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC[6a]3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|B<4>,3|H<1>}	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC[6a]3)(H){2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.8440	0.025	2	109.8440	0.001	2	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(PC[6a]2Ru)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(PC[6a]2Ru)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1583	0.187	4	109.1583	0.035	4	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(PO3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(PO3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4485	0.021	2	109.4485	0.000	2	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HP)(PCCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(PCCO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0465	0.045	2	109.0465	0.002	2	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HP)(PC[6a]2O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(PC[6a]2O)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9905	0.030	2	108.9905	0.001	2	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HW)(PC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,1|H<1>,1|O<1>,1|W<7>}	C[6](C[6]C[6]HH)(C[6]C[6]HW)(PC3)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.1575	2.891	2	108.1575	8.360	2	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(PO3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<3>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(PO3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5780	0.000	1	109.5780	0.000	1	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(PSeOO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|O<2>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(PSeOO)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8205	0.059	2	109.8205	0.003	2	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PAgIrC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PAgIrC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3538	0.036	4	109.3538	0.001	4	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PAuCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PAuCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5509	0.099	8	109.5509	0.010	8	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PAuFe2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PAuFe2)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3560	0.037	4	109.3560	0.001	4	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PBBH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PBBH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4355	0.044	4	109.4355	0.002	4	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PBCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PBCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3875	0.123	15	109.3875	0.015	15	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PBHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PBHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7059	0.826	7	109.7059	0.682	7	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0793	1.092	4	109.0793	1.192	4	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PCHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PCHO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5840	0.093	8	109.5840	0.009	8	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PCOP)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PCOP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4568	0.241	12	109.4568	0.058	12	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PCWW)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PCWW)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3180	0.105	4	109.3180	0.011	4	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[3]C[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[3]C[6]O)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3012	0.091	10	109.3012	0.008	10	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]2Ag)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2Ag)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0892	0.690	63	109.0892	0.476	63	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]2Au)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2Au)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2940	0.500	340	109.2940	0.250	340	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]2B)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2B)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5108	0.639	40	109.5108	0.409	40	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]2C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5992	0.459	129	109.5992	0.210	129	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]2Co)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2Co)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4139	0.105	20	109.4139	0.011	20	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]2Cr)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2Cr)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4098	0.145	28	109.4098	0.021	28	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]2Cu)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2Cu)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2648	1.286	92	109.2648	1.653	92	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]2Fe)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2Fe)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6309	0.745	99	109.6309	0.555	99	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]2Ga)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2Ga)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5626	0.200	10	109.5626	0.040	10	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]2H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5518	0.158	26	109.5518	0.025	26	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]2Hg)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2Hg)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6110	0.163	15	109.6110	0.027	15	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]2I)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2I)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8024	0.175	12	109.8024	0.031	12	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]2In)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2In)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5026	0.180	47	109.5026	0.033	47	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]2Ir)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2Ir)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.0315	0.363	2	109.4860	0.653	124	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]2Ir)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2Ir)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4934	0.812	122	109.4860	0.653	124	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]2Mn)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2Mn)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5490	0.210	33	109.5490	0.044	33	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]2Mo)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2Mo)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3214	0.238	20	109.3214	0.057	20	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]2N)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2N)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7657	1.244	63	109.7657	1.549	63	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]2Ni)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2Ni)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3109	0.548	484	109.3109	0.300	484	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]2O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2O)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4069	0.261	70	109.4069	0.068	70	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]2Os)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2Os)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7261	1.801	33	109.7261	3.245	33	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]2P)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2P)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6161	0.155	10	109.6161	0.024	10	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]2Pd)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2Pd)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4666	0.247	536	109.4666	0.061	536	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]2Pt)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<2>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2Pt)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4950	0.062	2	109.4944	0.543	729	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]2Pt)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2Pt)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7505	0.040	2	109.4944	0.543	729	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]2Pt)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2Pt)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4937	0.739	725	109.4944	0.543	729	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]2Re)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2Re)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5054	0.210	90	109.5054	0.044	90	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]2Rh)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<2>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2Rh)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5995	0.121	2	109.5614	0.531	74	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]2Rh)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2Rh)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5604	0.739	72	109.5614	0.531	74	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]2Ru)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2Ru)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5379	0.431	1207	109.5349	0.186	1213	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]2Ru)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|Ru<6>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2Ru)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8175	0.011	2	109.5349	0.186	1213	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]2Ru)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|Ru<8>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2Ru)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9980	0.079	4	109.5349	0.186	1213	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]2S)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2S)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5986	0.189	18	109.5986	0.036	18	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]2Se)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2Se)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5183	0.151	31	109.5183	0.023	31	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]2Sn)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2Sn)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4008	0.121	9	109.4008	0.015	9	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]2Te)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2Te)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4959	0.122	9	109.4959	0.015	9	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]2W)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2W)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3737	0.426	89	109.3737	0.182	89	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]AgP)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]AgP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5873	0.149	10	109.5873	0.022	10	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]Au2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]Au2)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3723	0.135	7	109.3723	0.018	7	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]AuC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]AuC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1503	0.509	98	109.1503	0.259	98	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]BC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]BC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4247	0.306	103	109.4247	0.093	103	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]BH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]BH)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8015	4.386	2	108.7044	2.253	22	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]BH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]BH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6946	1.215	20	108.7044	2.253	22	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]CC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]CC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8297	0.174	7	109.8297	0.030	7	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]CH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]CH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5285	0.143	13	109.5285	0.020	13	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]CO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]CO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4820	0.147	7	109.4820	0.022	7	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]CP)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]CP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6729	0.139	31	109.6729	0.019	31	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]CS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]CS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2768	0.158	27	109.2768	0.025	27	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]CW)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]CW)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4082	0.388	105	109.4082	0.151	105	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]ClPd)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]ClPd)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3031	0.173	8	109.3031	0.030	8	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]ClRu)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]ClRu)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4749	0.122	14	109.4749	0.015	14	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]CoC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]CoC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4170	0.154	62	109.4170	0.024	62	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]CoMo)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]CoMo)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5931	0.224	15	109.5931	0.050	15	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]CrC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]CrC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6227	0.180	26	109.6227	0.033	26	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]CuC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]CuC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4121	0.216	14	109.4121	0.047	14	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]FeC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]FeC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3951	0.185	253	109.3951	0.034	253	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]FeMo)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]FeMo)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6196	0.126	14	109.6196	0.016	14	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]FeP)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]FeP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6291	0.119	14	109.6291	0.014	14	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]FeSi)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]FeSi)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3718	0.065	6	109.3718	0.004	6	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]IrC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]IrC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2704	0.581	94	109.2704	0.338	94	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]Mn2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]Mn2)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6130	0.084	4	109.6130	0.007	4	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]MnRh)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]MnRh)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1904	0.085	7	109.1904	0.007	7	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]Mo2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]Mo2)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4123	0.447	369	109.4123	0.200	369	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]MoC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]MoC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.4266	1.597	8	108.4266	2.550	8	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]MoH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]MoH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5220	0.164	8	109.5220	0.027	8	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]MoP)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]MoP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5752	0.132	8	109.5752	0.017	8	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]NiC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]NiC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4261	0.463	485	109.4261	0.214	485	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]NiN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]NiN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4497	0.262	6	109.4497	0.069	6	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]Os2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]Os2)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6110	0.151	8	109.6110	0.023	8	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]OsH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]OsH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2983	0.342	15	109.2983	0.117	15	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]Pd2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]Pd2)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3771	0.119	9	109.3771	0.014	9	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]PdC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]PdC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4127	0.323	158	109.4127	0.104	158	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]PdN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]PdN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6989	0.218	7	109.6989	0.048	7	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]PdO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]PdO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1066	0.420	16	109.1066	0.176	16	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]Pt2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]Pt2)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4149	0.189	29	109.4149	0.036	29	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]PtC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]PtC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4299	0.322	282	109.4299	0.104	282	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]PtH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]PtH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3692	0.304	39	109.3692	0.092	39	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]PtN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]PtN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4509	0.210	8	109.4509	0.044	8	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]PtO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]PtO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3788	0.251	53	109.3788	0.063	53	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]Re2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]Re2)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2007	0.388	24	109.2007	0.150	24	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]ReC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]ReC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5650	0.998	81	109.5650	0.997	81	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]ReH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]ReH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3377	0.271	23	109.3377	0.074	23	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]RhC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]RhC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4021	0.263	105	109.4021	0.069	105	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]RhN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]RhN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5548	0.173	11	109.5548	0.030	11	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]RuC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]RuC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4021	0.456	250	109.4021	0.208	250	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]RuH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]RuH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3729	0.173	36	109.3729	0.030	36	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]RuO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]RuO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4630	0.337	22	109.4630	0.113	22	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]SS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]SS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2397	0.071	3	109.2397	0.005	3	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]ScC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]ScC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3724	0.162	20	109.3724	0.026	20	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]Se2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]Se2)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4441	0.112	15	109.4441	0.013	15	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]SeC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]SeC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4814	0.075	13	109.4814	0.006	13	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]Te2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]Te2)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3449	0.204	7	109.3449	0.041	7	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]TiC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]TiC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5572	0.137	13	109.5572	0.019	13	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]WW)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]WW)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3605	0.178	68	109.3605	0.032	68	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6a]2Ag)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6a]2Ag)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3418	0.094	6	109.3418	0.009	6	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6a]2Au)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6a]2Au)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3764	0.095	5	109.3764	0.009	5	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6a]2Cu)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6a]2Cu)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8431	0.545	8	108.8431	0.297	8	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6a]2O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6a]2O)(H){1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	108.5930	1.740	4	108.5930	3.029	4	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6a]2Pd)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6a]2Pd)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0962	0.045	4	109.0962	0.002	4	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6a]2Rh)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6a]2Rh)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0383	0.478	12	109.0383	0.229	12	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6a]2Se)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6a]2Se)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3985	0.109	4	109.3985	0.012	4	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6a]ClSe)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6a]ClSe)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.2188	0.714	4	110.2188	0.510	4	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6a]OO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6a]OO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3972	0.041	4	109.3972	0.002	4	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6a]RuO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6a]RuO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1932	0.181	4	109.1932	0.033	4	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PCl3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PCl3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5536	1.567	8	109.5536	2.455	8	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PCoFe2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PCoFe2)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6236	0.077	7	109.6236	0.006	7	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PCrFe2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PCrFe2)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6867	0.029	3	109.6867	0.001	3	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PFe2B)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PFe2B)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3327	0.052	3	109.3327	0.003	3	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PFe2N)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PFe2N)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4761	0.234	17	109.4761	0.055	17	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PFe3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PFe3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5710	0.121	23	109.5710	0.015	23	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PFeCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PFeCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4076	0.133	8	109.4076	0.018	8	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PFeHO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PFeHO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3833	0.121	3	109.3833	0.015	3	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6564	0.144	8	109.6564	0.021	8	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PIr2C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PIr2C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5182	0.162	4	109.5182	0.026	4	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PIrCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PIrCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4778	0.226	4	109.4778	0.051	4	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PIrCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PIrCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5593	0.076	4	109.5593	0.006	4	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PMn2H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PMn2H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9700	0.041	4	108.9700	0.002	4	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PMo2O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PMo2O)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6917	0.076	4	109.6917	0.006	4	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PN[6]2Ru)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PN[6]2Ru)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0897	0.672	4	109.0897	0.452	4	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PNiCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PNiCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4564	0.230	109	109.4564	0.053	109	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PO3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PO3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2501	0.132	11	109.2501	0.017	11	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PPSS)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PPSS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5539	0.032	7	109.5539	0.001	7	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PPdCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PPdCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6336	0.151	13	109.6336	0.023	13	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PRe2I)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PRe2I)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4365	0.241	4	109.4365	0.058	4	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PReCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PReCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5733	0.345	8	109.5733	0.119	8	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PRhCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PRhCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2640	0.394	24	109.2640	0.155	24	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PRuCC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PRuCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1826	0.482	27	109.1826	0.232	27	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PRuHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PRuHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4365	3.620	4	109.4365	13.106	4	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(PC[6]2C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|Ru<10>,1|C<4>,3|H<1>}	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(PC[6]2C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.0715	0.016	2	110.0715	0.000	2	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HP)(C[6]O[6]CC)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HP)(C[6]O[6]CC)(H)2{1|B<4>,2|H<1>}	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC3)(H){1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.3000	0.038	4	109.3000	0.001	4	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HP)2(H)2	C[6](C[6]C[6]HH)2(PC[6a]2O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HP)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6a]2O)(H){1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	109.7025	2.701	4	109.7025	7.295	4	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]RuH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]2Ru)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]RuH)(C[6]C[6]HP)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2Ru)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6736	0.233	5	109.8333	0.048	11	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]RuH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]2Ru)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]RuH)(C[6]C[6]HP)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2Ru)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.9663	0.071	6	109.8333	0.048	11	109.4363	0.283	8267	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P[4]-4:H-1:	C[6]-4:	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(P[4]P[4]2C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2{2|C<4>,2|P<3>,4|H<1>}	C[6](C[6]C[6]HH)2(P[4]P[4]2C)(H){1|P<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7367	0.114	7	109.7367	0.013	7	109.7367	0.013	7	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P[5]-4:H-1:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(P[5]P[5]2C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{2|C<4>,2|P<3>,4|H<1>}	C[6](C[6]C[6]HH)2(P[5]P[5]2C)(H){1|P<3>,1|P<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5665	0.070	4	109.5665	0.005	4	109.5665	0.005	4	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(P[6]C[6]2O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(P[6]C[6]2O)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.6153	0.201	4	109.6153	0.041	4	109.6628	0.031	12	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(P[6]C[6]3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(P[6]C[6]3)(H){5|C<4>,9|H<1>}	H(C[6]C[6]2H)	109.6866	0.172	8	109.6866	0.030	8	109.6628	0.031	12	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]HS)(H)2	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HS)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)(H){2|C<4>,4|C<3>}	H(C[6]C[6]2H)	109.2425	0.013	2	109.2425	0.000	2	109.6431	0.146	98	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SCOO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HS)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SCOO)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.3375	0.032	2	109.3375	0.001	2	109.6431	0.146	98	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HS)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.4114	0.233	17	109.4114	0.054	17	109.6431	0.146	98	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H){2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.8545	0.028	4	109.8545	0.001	4	109.6431	0.146	98	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6,6a]FH)(C[6]C[6]HH)(SC[6a]OO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(H)2{1|F<1>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]FH)(C[6]C[6]HH)(SC[6a]OO)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4865	0.022	2	109.4865	0.000	2	109.6431	0.146	98	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(SC[6a]OO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HS)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(SC[6a]OO)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	110.5670	0.049	2	110.5670	0.002	2	109.6431	0.146	98	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(SC[6a]OO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(SC[6a]OO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8170	0.040	2	108.8170	0.002	2	109.6431	0.146	98	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a]OO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a]OO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5115	0.008	2	109.5115	0.000	2	109.6431	0.146	98	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(SC[6a]OO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(SC[6a]OO)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.1925	0.032	2	110.1925	0.001	2	109.6431	0.146	98	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)2(SCOO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(SCOO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.9289	0.360	7	109.9289	0.130	7	109.6431	0.146	98	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)2(SC[5a]OO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(SC[5a]OO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6818	0.093	29	109.6818	0.009	29	109.6431	0.146	98	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)2(SC[6]NO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(SC[6]NO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7253	0.132	4	109.7253	0.017	4	109.6431	0.146	98	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)2(SC[6a]PtO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(SC[6a]PtO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8189	0.215	7	109.8189	0.046	7	109.6431	0.146	98	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6]HH)2(SN[6]OO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]HH)2(SN[6]OO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8175	0.316	2	109.8175	0.100	2	109.6431	0.146	98	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(SC[6a]OO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<3>,2|C<4>,2|O<2>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(SC[6a]OO)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.7120	0.016	2	109.7120	0.000	2	109.6431	0.146	98	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(SC[6a]OO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(SC[6a]OO)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.1835	0.018	2	109.1835	0.000	2	109.6431	0.146	98	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(SC[6a]OO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(SC[6a]OO)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2495	0.012	2	109.2495	0.000	2	109.6431	0.146	98	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	C[6](C[6]O[6]SeH)(C[6]C[6]HH)(SC[6a]OO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|Se<2>,1|O<2>,3|H<1>}	C[6](C[6]O[6]SeH)(C[6]C[6]HH)(SC[6a]OO)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5160	0.257	2	108.5160	0.066	2	109.6431	0.146	98	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6]C[6]HS)(C[6]C[6]NN)(H)2	C[6](C[6]C[6]HH)2(SC[6a]OO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HS)(C[6]C[6]NN)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(SC[6a]OO)(H){2|C<3>,2|N<3>}	H(C[6]C[6]2H)	110.5860	0.017	2	110.5860	0.000	2	109.6431	0.146	98	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6]C[6]HS)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)2(SNOO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HS)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(SNOO)(H){1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.9600	0.090	3	109.9600	0.008	3	109.6431	0.146	98	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6]C[6]HS)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(SFOO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HS)(C[6]S[6]HH)(H)2{1|N<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(SFOO)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	109.3840	0.000	1	109.3840	0.000	1	109.6431	0.146	98	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]SiH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(SiC[6a]CC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]SiH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(SiC[6a]CC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1300	0.034	2	109.1300	0.001	2	109.2538	0.114	78	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(SiC[6a]CC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SiH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(SiC[6a]CC)(H){1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.7855	0.073	2	108.7855	0.005	2	109.2538	0.114	78	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SiCCO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SiH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SiCCO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7390	0.436	2	109.7390	0.190	2	109.2538	0.114	78	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SiC[6a]CC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SiC[6a]CC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1240	0.028	2	109.1240	0.001	2	109.2538	0.114	78	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(SiC[6]2C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(SiC[6]2C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3955	0.087	11	109.3955	0.007	11	109.2538	0.114	78	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(SiC[6]2Cl)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(SiC[6]2Cl)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8763	1.037	6	108.8763	1.076	6	109.2538	0.114	78	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(SiClOO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(SiClOO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4145	0.042	4	109.4145	0.002	4	109.2538	0.114	78	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(SiNiHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(SiNiHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1467	0.074	4	109.1467	0.005	4	109.2538	0.114	78	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(SiO3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(SiO3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2753	0.141	45	109.2753	0.020	45	109.2538	0.114	78	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]BH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|B<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]BH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0755	0.082	4	109.0755	0.007	4	109.1134	0.205	68	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CC[6a]CH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CC[6a]CH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2695	0.016	2	109.2695	0.000	2	109.1134	0.205	68	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0445	0.073	4	109.0445	0.005	4	109.1134	0.205	68	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2675	0.177	4	109.2029	0.034	13	109.1134	0.205	68	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1740	0.000	1	109.2029	0.034	13	109.1134	0.205	68	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1743	0.202	8	109.2029	0.034	13	109.1134	0.205	68	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]CH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]CH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9628	0.804	6	108.9628	0.647	6	109.1134	0.205	68	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]HO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]HO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2511	0.237	13	109.2511	0.056	13	109.1134	0.205	68	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.1565	1.267	4	108.9814	0.415	21	109.1134	0.205	68	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1480	0.034	5	108.9814	0.415	21	109.1134	0.205	68	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1870	0.102	12	108.9814	0.415	21	109.1134	0.205	68	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CHHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2690	0.101	3	109.2690	0.010	3	109.1134	0.205	68	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.2965	0.006	2	109.2965	0.000	2	109.1134	0.205	68	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]S[6]CH)(H)2	C[6](C[6]C[6]HH)(S[6]C[6]OO)(CC[6a]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]S[6]CH)(H)2{1|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6]HH)(S[6]C[6]OO)(CC[6a]HH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8020	0.017	2	108.8020	0.000	2	108.8020	0.000	2	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[4,5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[4,5]C[6]H)(C[6]C[6]HH)(H)2	C[6](N[4,5]Ga[4,5]2C[5])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]N[4,5]C[6]H)(C[6]C[6]HH)(H)2{2|Ga<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](N[4,5]Ga[4,5]2C[5])(C[6]C[6]HH)2(H){2|Cl<1>,1|C<3>,1|C<4>,1|N<4>,2|N<3>,5|H<1>}	H(C[6]C[6]2H)	107.8390	1.243	3	107.8390	1.544	3	107.8390	1.544	3	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,5]C[6]H)(C[6]C[6]HH)(H)2	C[6](N[5,5]C[5,5,6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,5]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](N[5,5]C[5,5,6]2H)(C[6]C[6]HH)2(H){5|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.5803	0.159	3	109.5803	0.025	3	109.5803	0.025	3	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[5,6,6]CH)(C[6]C[3x6]HH)(H)2	C[6](N[5,6,6]C[5,5,6,6]C[5,3x6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6,6]CH)(C[6]C[3x6]HH)(H)2{2|H<1>,3|C<4>}	C[6](N[5,6,6]C[5,5,6,6]C[5,3x6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	107.6197	1.382	4	107.6197	1.909	4	107.6197	1.909	4	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2320	0.013	2	109.2320	0.000	2	109.2202	0.255	6	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1420	1.120	2	109.1420	1.255	2	109.2202	0.255	6	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2865	0.023	2	109.2865	0.001	2	109.2202	0.255	6	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]CC)(C[6]N[6,6]CH)(H)2	C[6](N[6,6]C[3x6]C[6]Cu)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]CC)(C[6]N[6,6]CH)(H)2{1|Cu<6>,1|C<5>,2|C<4>}	C[6](N[6,6]C[3x6]C[6]Cu)(C[6]C[6]HH)(CH3)(H){1|N<4>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.3405	0.028	2	108.9417	0.482	4	108.7323	0.395	6	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]CC)(C[6]N[6,6]CH)(H)2	C[6](N[6,6]C[3x6]C[6]Cu)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]CC)(C[6]N[6,6]CH)(H)2{1|Cu<6>,3|C<4>}	C[6](N[6,6]C[3x6]C[6]Cu)(C[6]C[6]HH)(CH3)(H){1|C<5>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5430	0.010	2	108.9417	0.482	4	108.7323	0.395	6	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.3135	0.037	2	108.3135	0.001	2	108.7323	0.395	6	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2	C[6](N[6]C[6,6]AlZr)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2{1|Al<4>,1|Zr<7>,1|C<3>,1|C<4>}	C[6](N[6]C[6,6]AlZr)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2055	0.276	4	109.2055	0.076	4	109.3139	0.325	38	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6390	2.966	2	109.6390	8.795	2	109.3139	0.325	38	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](N[6]C[6]Al2)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|Al<4>,1|C<4>,2|H<1>}	C[6](N[6]C[6]Al2)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2357	0.117	7	109.2357	0.014	7	109.3139	0.325	38	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](N[6]C[6]AlC)(C[6]C[6]HH)(CHHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Al<5>,2|C<4>,2|H<1>}	C[6](N[6]C[6]AlC)(C[6]C[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2873	0.456	4	109.2873	0.208	4	109.3139	0.325	38	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](N[6]C[6]AlH)(C[6]C[6]HH)(CHHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Al<5>,1|C<4>,3|H<1>}	C[6](N[6]C[6]AlH)(C[6]C[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3776	0.079	5	109.3776	0.006	5	109.3139	0.325	38	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](N[6]C[6]FeC)(C[6]C[6]HH)(CHHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Fe<7>,2|C<4>,2|H<1>}	C[6](N[6]C[6]FeC)(C[6]C[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3088	0.506	4	109.3088	0.256	4	109.3139	0.325	38	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](N[6]C[6]LiZn)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Li<3>,1|Zn<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6]LiZn)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4660	0.139	4	109.4660	0.019	4	109.3139	0.325	38	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](N[6]C[6]NiH)(C[6]C[6]HH)(CHHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Ni<6>,1|C<4>,3|H<1>}	C[6](N[6]C[6]NiH)(C[6]C[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7805	0.093	2	109.7805	0.009	2	109.3139	0.325	38	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](N[6]C[6]PdC)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Pd<4>,2|C<4>,2|H<1>}	C[6](N[6]C[6]PdC)(C[6]C[6]HH)(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1737	0.224	4	109.1737	0.050	4	109.3139	0.325	38	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C[6](N[6]C[6]RuH)(C[6]C[6]HH)(CHHP)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Ru<8>,1|C<4>,3|H<1>}	C[6](N[6]C[6]RuH)(C[6]C[6]HH)(CHHP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8925	0.029	2	108.8925	0.001	2	109.3139	0.325	38	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](N[6]In[4,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|In<5>,1|N<3>,2|C<4>,4|H<1>}	C[6](N[6]In[4,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|C<4>,1|I<1>,1|O<2>,2|O<3>,6|H<1>}	H(C[6]C[6]2H)	109.2755	0.028	2	109.2755	0.001	2	109.1381	0.008	8	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|In<4>,1|N<3>,2|C<4>,4|H<1>}	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.0770	0.033	2	109.0923	0.001	6	109.1381	0.008	8	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|In<4>,1|N<3>,2|C<4>,4|H<1>}	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|O<3>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.1000	0.038	2	109.0923	0.001	6	109.1381	0.008	8	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|In<4>,1|N<3>,2|C<4>,4|H<1>}	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){2|Cl<1>,1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[6]C[6]2H)	109.1000	0.023	2	109.0923	0.001	6	109.1381	0.008	8	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	C[6](PC[6a]C[6]Ni)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{2|C<4>,3|H<1>}	C[6](PC[6a]C[6]Ni)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9022	0.090	4	108.9022	0.008	4	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PB[3,3,5,3x6]C[6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PB[3,3,5,3x6]C[6]2)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6881	2.012	12	109.6881	4.046	12	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PB[5a]C[6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PB[5a]C[6]2)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.5126	2.420	12	110.5126	5.859	12	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PC[5]C[6]Au)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PC[5]C[6]Au)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2905	0.049	4	109.2905	0.002	4	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PC[5]C[6]Ni)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PC[5]C[6]Ni)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4800	0.189	6	109.4800	0.036	6	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PC[5]C[6]Os)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PC[5]C[6]Os)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3656	0.136	7	109.3656	0.018	7	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PC[5]C[6]Pd)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PC[5]C[6]Pd)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4603	0.193	30	109.4603	0.037	30	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PC[5]C[6]Pt)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PC[5]C[6]Pt)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5281	0.191	14	109.5281	0.036	14	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PC[5]C[6]Re)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PC[5]C[6]Re)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4846	0.250	7	109.4846	0.062	7	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PC[5]C[6]Ru)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PC[5]C[6]Ru)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5866	0.256	30	109.5866	0.066	30	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PC[5]C[6]Se)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PC[5]C[6]Se)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4680	0.076	6	109.4680	0.006	6	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PC[5a]C[6]B)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PC[5a]C[6]B)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4158	0.133	11	109.4158	0.018	11	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PC[5a]C[6]O)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PC[5a]C[6]O)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5798	0.116	8	109.5798	0.014	8	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PC[5a]C[6]Pd)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PC[5a]C[6]Pd)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6522	0.830	8	109.6522	0.689	8	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PC[5a]C[6]S)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PC[5a]C[6]S)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5139	0.191	7	109.5139	0.037	7	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PC[6,6]C[6]Au)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PC[6,6]C[6]Au)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3815	0.201	14	109.3815	0.040	14	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PC[6,6]C[6]B)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PC[6,6]C[6]B)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4261	0.171	8	109.4261	0.029	8	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PC[6,6]C[6]Pd)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PC[6,6]C[6]Pd)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6052	0.157	33	109.6052	0.025	33	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PC[6]N[6]Ru)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PC[6]N[6]Ru)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5708	0.108	6	109.5708	0.012	6	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PC[6a]C[6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PC[6a]C[6]2)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6343	0.420	32	109.6343	0.176	32	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PC[6a]C[6]Ag)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PC[6a]C[6]Ag)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3851	0.159	21	109.3851	0.025	21	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PC[6a]C[6]Au)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PC[6a]C[6]Au)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4318	0.139	82	109.4318	0.019	82	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PC[6a]C[6]B)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PC[6a]C[6]B)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4853	0.240	46	109.4853	0.057	46	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PC[6a]C[6]C)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PC[6a]C[6]C)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6573	0.105	6	109.6573	0.011	6	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PC[6a]C[6]Co)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PC[6a]C[6]Co)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4051	0.121	12	109.4051	0.015	12	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PC[6a]C[6]Cr)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PC[6a]C[6]Cr)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4118	0.180	39	109.4118	0.032	39	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PC[6a]C[6]Cu)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PC[6a]C[6]Cu)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3980	0.107	13	109.3980	0.011	13	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PC[6a]C[6]Fe)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PC[6a]C[6]Fe)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5050	0.172	54	109.5050	0.030	54	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PC[6a]C[6]Ge)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PC[6a]C[6]Ge)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5251	0.186	8	109.5251	0.035	8	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PC[6a]C[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PC[6a]C[6]H)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5150	0.259	28	109.5150	0.067	28	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PC[6a]C[6]Ir)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PC[6a]C[6]Ir)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5261	0.321	117	109.5261	0.103	117	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PC[6a]C[6]Li)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PC[6a]C[6]Li)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2128	0.452	14	109.2128	0.204	14	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PC[6a]C[6]Mo)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PC[6a]C[6]Mo)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6373	0.556	25	109.6373	0.309	25	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PC[6a]C[6]N)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PC[6a]C[6]N)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4345	0.144	12	109.4345	0.021	12	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PC[6a]C[6]Ni)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PC[6a]C[6]Ni)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2854	0.474	106	109.2854	0.225	106	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PC[6a]C[6]O)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PC[6a]C[6]O)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0354	0.989	47	109.0354	0.978	47	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PC[6a]C[6]Os)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PC[6a]C[6]Os)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5830	0.136	8	109.5830	0.019	8	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PC[6a]C[6]Pd)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](PC[6a]C[6]Pd)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.1265	0.371	2	110.1265	0.138	2	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PC[6a]C[6]Pd)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PC[6a]C[6]Pd)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4552	0.397	245	109.4552	0.158	245	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PC[6a]C[6]Pt)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PC[6a]C[6]Pt)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4872	0.239	75	109.4872	0.057	75	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PC[6a]C[6]Rh)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PC[6a]C[6]Rh)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3350	0.432	86	109.3350	0.186	86	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PC[6a]C[6]Ru)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PC[6a]C[6]Ru)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4633	0.283	97	109.4633	0.080	97	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PC[6a]C[6]Se)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PC[6a]C[6]Se)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3618	0.127	22	109.3618	0.016	22	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PC[6a]C[6]Sn)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PC[6a]C[6]Sn)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5772	0.158	5	109.5772	0.025	5	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PN[5a]C[6]Ru)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PN[5a]C[6]Ru)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4256	0.331	8	109.4256	0.109	8	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]RuH)(C[6]C[6]HP)(H)2	C[6](PC[6a]C[6]Ru)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]RuH)(C[6]C[6]HP)(H)2{1|C<4>,3|H<1>}	C[6](PC[6a]C[6]Ru)(C[6]C[6]HH)2(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5452	0.227	4	109.5452	0.051	4	109.4529	0.229	1441	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P[4]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2	C[6](P[4]P[4]2Cl)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|P<3>,4|H<1>}	C[6](P[4]P[4]2Cl)(C[6]C[6]HH)2(H){1|P<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1650	0.163	3	109.2736	3.662	11	109.4835	3.274	15	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P[4]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2	C[6](P[4]P[4]2Cl)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|P<3>,4|H<1>}	C[6](P[4]P[4]2Cl)(C[6]C[6]HH)2(H){1|P<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3144	2.284	8	109.2736	3.662	11	109.4835	3.274	15	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P[4]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2	C[6](P[4]P[4]2Cr)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2{1|Cr<6>,1|C<4>,2|P<3>,4|H<1>}	C[6](P[4]P[4]2Cr)(C[6]C[6]HH)2(H){1|P<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.0605	1.571	4	110.0605	2.467	4	109.4835	3.274	15	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]CH)(H)2	C[6](P[5]C[5,6a]C[5]O)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](P[5]C[5,6a]C[5]O)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.1175	0.011	2	109.1175	0.000	2	109.4202	0.243	84	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	C[6](P[5]B[5]C[5]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	C[6](P[5]B[5]C[5]C[6])(C[6]C[6]HH)2(H){1|Br<1>,1|P<4>,4|C<4>,8|H<1>}	H(C[6]C[6]2H)	109.1008	0.140	23	109.2677	0.458	38	109.4202	0.243	84	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	C[6](P[5]B[5]C[5]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	C[6](P[5]B[5]C[5]C[6])(C[6]C[6]HH)2(H){1|P<4>,4|C<4>,9|H<1>}	H(C[6]C[6]2H)	109.5236	1.031	15	109.2677	0.458	38	109.4202	0.243	84	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	C[6](P[5]C[5,6a]C[5]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](P[5]C[5,6a]C[5]C[6])(C[6]C[6]HH)2(H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.7686	0.045	7	109.7686	0.002	7	109.4202	0.243	84	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	C[6](P[5]C[5]2C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](P[5]C[5]2C[6])(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6]2H)	109.5540	0.151	6	109.5540	0.023	6	109.4202	0.243	84	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	C[6](P[5]C[5]2Pd)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|Pd<4>,1|C<3>,2|C<4>,4|H<1>}	C[6](P[5]C[5]2Pd)(C[6]C[6]HH)2(H){1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.6508	0.039	4	109.5877	0.017	16	109.4202	0.243	84	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	C[6](P[5]C[5]2Pd)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|Pd<4>,1|C<4>,2|C<3>,4|H<1>}	C[6](P[5]C[5]2Pd)(C[6]C[6]HH)2(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4625	0.079	4	109.5877	0.017	16	109.4202	0.243	84	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	C[6](P[5]C[5]2Pd)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|Pd<4>,3|C<4>,4|H<1>}	C[6](P[5]C[5]2Pd)(C[6]C[6]HH)2(H){5|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.6189	0.143	8	109.5877	0.017	16	109.4202	0.243	84	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	C[6](P[5]C[5]2Rh)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|Rh<5>,3|C<4>,4|H<1>}	C[6](P[5]C[5]2Rh)(C[6]C[6]HH)2(H){1|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.3740	0.136	4	109.3844	0.023	8	109.4202	0.243	84	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	C[6](P[5]C[5]2Rh)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|Rh<5>,3|C<4>,4|H<1>}	C[6](P[5]C[5]2Rh)(C[6]C[6]HH)2(H){5|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.3947	0.189	4	109.3844	0.023	8	109.4202	0.243	84	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	C[6](P[5]C[6]P[5]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{2|C<4>,2|P<3>,4|H<1>}	C[6](P[5]C[6]P[5]2)(C[6]C[6]HH)2(H){1|Co<6>,2|P<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5291	0.119	7	109.5291	0.014	7	109.4202	0.243	84	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](P[6,6]C[3x6]2Pd)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Pd<4>,3|C<4>,4|H<1>}	C[6](P[6,6]C[3x6]2Pd)(C[6]C[6]HH)2(H){2|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.4375	0.040	4	109.4375	0.002	4	109.4556	0.006	8	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](P[6,6]C[6,6]2Co)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Co<4>,3|C<4>,4|H<1>}	C[6](P[6,6]C[6,6]2Co)(C[6]C[6]HH)2(H){5|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.4737	0.110	4	109.4737	0.012	4	109.4556	0.006	8	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]P[6]H)(C[6]C[6]CH)(H)2	C[6](P[6]C[6,6a]O[6]B)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]CH)(H)2{1|B<4>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](P[6]C[6,6a]O[6]B)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.0128	0.104	5	109.0128	0.011	5	109.4418	0.052	55	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]P[6]H)(C[6]C[6]CH)(H)2	C[6](P[6]C[6,6a]O[6]Pd)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]CH)(H)2{1|Pd<4>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](P[6]C[6,6a]O[6]Pd)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2340	0.252	4	109.2340	0.063	4	109.4418	0.052	55	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2	C[6](P[6]B[3,6]C[6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	C[6](P[6]B[3,6]C[6]2)(C[6]C[6]HH)2(H){1|B<4>,1|C<3>,1|P<4>,3|C<4>,8|H<1>}	H(C[6]C[6]2H)	109.4128	0.058	5	109.4128	0.003	5	109.4418	0.052	55	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2	C[6](P[6]B[6,6]C[6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	C[6](P[6]B[6,6]C[6]2)(C[6]C[6]HH)2(H){1|B<4>,1|P<3>,2|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6]2H)	109.4656	0.140	5	109.5298	0.029	9	109.4418	0.052	55	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2	C[6](P[6]B[6,6]C[6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	C[6](P[6]B[6,6]C[6]2)(C[6]C[6]HH)2(H){1|B<4>,2|C<3>,3|C<4>,8|H<1>}	H(C[6]C[6]2H)	109.6100	0.187	4	109.5298	0.029	9	109.4418	0.052	55	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2	C[6](P[6]B[6]C[6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	C[6](P[6]B[6]C[6]2)(C[6]C[6]HH)2(H){1|B<4>,1|C<3>,1|P<3>,3|C<4>,8|H<1>}	H(C[6]C[6]2H)	109.4950	0.029	4	109.5472	0.010	10	109.4418	0.052	55	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2	C[6](P[6]B[6]C[6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	C[6](P[6]B[6]C[6]2)(C[6]C[6]HH)2(H){1|B<4>,1|C<3>,1|P<4>,3|C<4>,8|H<1>}	H(C[6]C[6]2H)	109.5820	0.116	6	109.5472	0.010	10	109.4418	0.052	55	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2	C[6](P[6]C[6]2Pt)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2{1|Pt<4>,3|C<4>,4|H<1>}	C[6](P[6]C[6]2Pt)(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.8500	0.138	4	109.8500	0.019	4	109.4418	0.052	55	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2	C[6](P[6]In[6]2C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2{2|In<4>,2|C<4>,4|H<1>}	C[6](P[6]In[6]2C[6])(C[6]C[6]HH)2(H){2|P<4>,3|C<4>,9|H<1>}	H(C[6]C[6]2H)	109.4221	0.119	18	109.4221	0.014	18	109.4418	0.052	55	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	S[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HN)(C[6]S[6]CH)(H)2	C[6](S[6]C[5a,6]OO)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HN)(C[6]S[6]CH)(H)2{2|C<3>,2|O<1>}	C[6](S[6]C[5a,6]OO)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	H(C[6]C[6]2H)	108.5865	0.033	2	108.6697	0.010	4	108.6697	0.010	4	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	S[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HN)(C[6]S[6]CH)(H)2	C[6](S[6]C[5a,6]OO)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HN)(C[6]S[6]CH)(H)2{2|C<3>,2|O<1>}	C[6](S[6]C[5a,6]OO)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<4>,1|S<2>}	H(C[6]C[6]2H)	108.7530	0.017	2	108.6697	0.010	4	108.6697	0.010	4	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:F-1:	C[6]-4:	C[6](C[6]C[6]CF)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)(F)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CF)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)(F){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.8085	0.046	2	108.8085	0.002	2	108.8085	0.002	2	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.7245	0.062	2	108.7245	0.004	2	109.2019	0.483	49	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.7890	0.059	2	108.7890	0.004	2	109.2019	0.483	49	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CN[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CN[6]HH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6375	0.026	2	109.6375	0.001	2	109.2019	0.483	49	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.0187	2.044	4	108.0187	4.178	4	109.2019	0.483	49	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2621	0.177	7	109.2621	0.031	7	109.2019	0.483	49	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4977	0.193	12	109.4977	0.037	12	109.2019	0.483	49	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]N[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]N[6]HH)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3165	0.614	4	109.3165	0.377	4	109.2019	0.483	49	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2777	0.250	16	109.2777	0.063	16	109.2019	0.483	49	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HN)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	110.1145	0.273	6	110.1145	0.074	6	110.1145	0.074	6	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HP)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(PO3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HP)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(PO3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2500	0.000	1	109.2500	0.000	1	109.2500	0.000	1	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.9325	0.046	2	108.9325	0.002	2	109.3079	0.682	122	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2175	0.006	2	109.0447	0.040	4	109.3079	0.682	122	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	108.8720	0.017	2	109.0447	0.040	4	109.3079	0.682	122	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3146	0.921	70	109.3234	0.712	116	109.3079	0.682	122	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3910	0.178	20	109.3234	0.712	116	109.3079	0.682	122	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2952	0.951	26	109.3234	0.712	116	109.3079	0.682	122	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2	C[6](N[6]C[6]CoH)(C[6]N[6]HH)(CHHN)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2{1|Co<6>,1|C<4>,3|H<1>}	C[6](N[6]C[6]CoH)(C[6]N[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.0175	0.308	2	109.0175	0.095	2	109.0175	0.095	2	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:Si[6]-4:H-1:H-1:	Si[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:	C[6](C[6]Si[6]SiH)(Si[6]C[6]Cl2)(H)2	C[6](Si[6]C[6]Cl2)(C[6]Si[6]HH)(SiCl2C)(H)	H(C[6]Si[6]C[6]H)	C[6](C[6]Si[6]SiH)(Si[6]C[6]Cl2)(H)2{1|Si<4>,2|Cl<1>,1|C<4>,1|H<1>}	C[6](Si[6]C[6]Cl2)(C[6]Si[6]HH)(SiCl2C)(H){2|Cl<1>,1|C<4>,2|H<1>}	H(C[6]Si[6]C[6]H)	108.8250	0.000	1	108.8250	0.000	1	109.9307	3.278	3	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:Si[6]-4:H-1:H-1:	Si[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:	C[6](C[6]Si[6]SiH)(Si[6]C[6]Cl2)(H)2	C[6](Si[6]C[6]Cl2)(C[6]Si[6]HH)(SiCl3)(H)	H(C[6]Si[6]C[6]H)	C[6](C[6]Si[6]SiH)(Si[6]C[6]Cl2)(H)2{1|Si<4>,2|Cl<1>,1|C<4>,1|H<1>}	C[6](Si[6]C[6]Cl2)(C[6]Si[6]HH)(SiCl3)(H){2|Cl<1>,1|C<4>,2|H<1>}	H(C[6]Si[6]C[6]H)	110.4835	2.173	2	110.4835	4.722	2	109.9307	3.278	3	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]N[5,6]C[6]H)	109.1100	0.045	2	109.1100	0.002	2	109.1925	0.011	4	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	109.2750	0.062	2	109.2750	0.004	2	109.1925	0.011	4	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]CH)(H)2	C[6](C[6]N[6,6]HH)2(CCHH)(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]N[6,6]HH)2(CCHH)(H){4|C<4>}	H(C[6]N[6,6]C[6]H)	108.6430	0.020	2	108.6430	0.000	2	108.8643	0.038	7	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCHH)(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCHH)(H){2|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	109.0520	0.085	3	109.0520	0.007	3	108.8643	0.038	7	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	108.8040	0.020	2	108.8040	0.000	2	108.8643	0.038	7	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CHHS)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]CH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CHHS)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.9865	0.120	2	108.9865	0.014	2	109.1198	0.019	6	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6]Au)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6]Au)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|Au<2>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.1865	0.094	4	109.1865	0.009	4	109.1198	0.019	6	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[6]CoH)(C[6]N[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CoH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|Co<4>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.9445	0.021	2	108.9445	0.000	2	108.9445	0.000	2	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[6]CuC)(C[6]N[6]CH)(H)2	C[6](N[6]C[6]CuC)(C[6]N[6]HH)(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CuC)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[6]CuC)(C[6]N[6]HH)(CCHH)(H){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.9665	0.186	2	110.9665	0.035	2	110.0063	0.102	27	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[6]NiC)(C[6]N[6]CH)(H)2	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(CHHS)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]NiC)(C[6]N[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(CHHS)(H){1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	110.1310	0.045	2	109.9295	0.026	25	110.0063	0.102	27	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[6]NiC)(C[6]N[6]CH)(H)2	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(CHHS)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]NiC)(C[6]N[6]CH)(H)2{1|H<1>,3|C<4>}	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(CHHS)(H){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9120	0.155	23	109.9295	0.026	25	110.0063	0.102	27	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	Si[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](Si[5,6,6]C[5,6]2C[6])(C[6]C[6]CH)(H)2	C[6](C[6]Si[5,6,6]HH)(C[6]Si[6]CH)(CH3)(H)	H(C[6]Si[5,6,6]C[6]H)	C[6](Si[5,6,6]C[5,6]2C[6])(C[6]C[6]CH)(H)2{2|Si<4>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]Si[5,6,6]HH)(C[6]Si[6]CH)(CH3)(H){2|C<3>,3|C<4>}	H(C[6]Si[5,6,6]C[6]H)	108.9446	0.055	7	108.9446	0.003	7	108.9446	0.003	7	109.3059	0.472	20927	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CN)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CH3)(NS)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CN)(H)2{2|H<1>,4|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CH3)(NS){2|C<4>,3|H<1>}	H(C[6]C[3,6]C[6]H)	109.0775	0.029	2	109.0775	0.001	2	109.0775	0.001	2	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CO)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CC[6]HO)(OSi)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CO)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CC[6]HO)(OSi){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[3,6]C[6]H)	110.1000	0.074	2	110.1000	0.005	2	110.1000	0.005	2	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]Cl)(C[6]C[6]CO)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]Cl)(C[6]C[6]CO)(H)2{2|C<4>,5|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CH3)(OH){1|Cl<1>,2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]H)	108.4835	0.187	4	108.4835	0.035	4	108.4835	0.035	4	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]O[5,6]C[5])(C[6]C[5,6]CO)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(CH3)(OH)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]O[5,6]C[5])(C[6]C[5,6]CO)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(CH3)(OH){2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6]H)	108.7775	0.052	2	108.7775	0.003	2	108.7775	0.003	2	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3]C[6]O)(H)2	C[6](C[3]C[3,5]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(OH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3]C[6]O)(H)2{1|C<3>,2|H<1>,8|C<4>}	C[6](C[3]C[3,5]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(OH){1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.5817	0.249	4	109.5817	0.062	4	109.5817	0.062	4	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6,6]CO)(H)2	C[6](C[5,6,6]C[5,3x6]C[5,6]O[5])(C[6]C[5,6]HH)(CH3)(OH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6,6]CO)(H)2{1|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6,6]C[5,3x6]C[5,6]O[5])(C[6]C[5,6]HH)(CH3)(OH){2|H<1>,2|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	108.7178	0.033	6	108.7178	0.001	6	108.7569	0.012	7	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6,6]CO)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[5,6]HH)(CH3)(OH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6,6]CO)(H)2{1|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[5,6]HH)(CH3)(OH){2|H<1>,2|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	108.9910	0.000	1	108.9910	0.000	1	108.7569	0.012	7	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]CO)(H)2	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HH)(CH3)(OH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]CO)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HH)(CH3)(OH){1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.6013	0.223	4	108.6013	0.050	4	108.2321	0.327	13	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(OH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CO)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(OH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	107.3407	0.025	3	107.3407	0.001	3	108.2321	0.327	13	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CO)(H)2{1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|O<1>,2|C<3>}	H(C[6]C[5,6]C[6]H)	108.2645	0.030	2	108.2645	0.001	2	108.2321	0.327	13	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHO)(OH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CO)(H)2{1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHO)(OH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.1540	0.042	2	108.1540	0.002	2	108.2321	0.327	13	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)(OH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CO)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	108.8765	0.013	2	108.8765	0.000	2	108.2321	0.327	13	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(Cl)(H)	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6,6]C[6]Cl)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(Cl)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]Cl)	107.3420	0.723	6	107.3420	0.522	6	107.3420	0.522	6	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(CH3)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(CH3)(OH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.4783	0.059	4	108.4783	0.003	4	108.4783	0.003	4	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CO)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(CH3)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CO)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(CH3)(OH){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.7428	0.147	4	108.7428	0.022	4	108.7428	0.022	4	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[5]C[5]2C)(C[6]C[6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5]C[6]O)(H)2{1|O<2>,2|H<1>,8|C<4>}	C[6](C[6]C[6,6]HH)(C[5]C[5]2C)(C[6]C[6]HH)(OH){1|O<2>,4|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.6785	0.026	2	108.6785	0.001	2	108.6785	0.001	2	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(CH3)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{1|Br<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7025	0.009	2	108.7025	0.000	2	108.8603	0.149	39	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.3185	0.021	2	109.0136	0.037	19	108.8603	0.149	39	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(OH){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9777	0.171	17	109.0136	0.037	19	108.8603	0.149	39	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6]HH)2(CCHH)(ON)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)2(CCHH)(ON){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.0572	0.158	4	108.6453	0.552	7	108.8603	0.149	39	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6]HH)2(CCHH)(ON)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)2(CCHH)(ON){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.4293	0.079	3	108.6453	0.552	7	108.8603	0.149	39	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CH3)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]CO)(H)2{2|C<4>,2|N<3>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CH3)(OH){1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.6575	0.016	2	108.6575	0.000	2	108.8603	0.149	39	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6]HH)2(CH3)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CO)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(CH3)(OH){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.5835	0.136	4	108.5835	0.018	4	108.8603	0.149	39	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(CH3)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO)(H)2{1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1630	0.039	3	108.9442	0.091	5	108.8603	0.149	39	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(CH3)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO)(H)2{1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.6160	0.024	2	108.9442	0.091	5	108.8603	0.149	39	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2O)(H)2	C[6](C[6]C[6,6]HH)2(C[6]C[6]2C)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2O)(H)2{5|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)2(C[6]C[6]2C)(OH){1|Br<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.1123	0.466	4	108.1123	0.217	4	108.1123	0.217	4	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(Br)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(CH3)(OH)	H(C[6]C[6]2Br)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(Br)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2Br)	107.9300	0.000	1	107.9300	0.000	1	108.0085	0.012	2	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2Br)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(CH3)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2Br)	108.0870	0.000	1	108.0870	0.000	1	108.0085	0.012	2	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[3,5]C[6]O)(C[6]C[3,6]HH)(H)2	C[6](C[3,5]C[3,5]C[5]O[3])(C[6]C[3,6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[3,5]C[6]O)(C[6]C[3,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[3,5]C[3,5]C[5]O[3])(C[6]C[3,6]CH)(C[6]C[6]HH)(OH){1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7080	0.004	2	108.7080	0.000	2	108.7080	0.000	2	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[3,6]C[5]O)(C[6]C[5,6]HH)(H)2	C[6](C[3,6]C[3,5,6]O[3]H)(C[5]C[5]2H)(C[6]C[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]C[5]O)(C[6]C[5,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[3,6]C[3,5,6]O[3]H)(C[5]C[5]2H)(C[6]C[6]HH)(OH){1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5480	0.038	2	108.5480	0.001	2	108.5480	0.001	2	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[3,6]CO)(C[6]C[5,6]HH)(H)2	C[6](C[3,6]C[3,5,6]O[3]C)(C[6]C[6]HH)(CCCH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]CO)(C[6]C[5,6]HH)(H)2{2|O<2>,3|C<4>}	C[6](C[3,6]C[3,5,6]O[3]C)(C[6]C[6]HH)(CCCH)(OH){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5320	0.225	2	108.5320	0.051	2	108.8440	0.147	4	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[3,6]CO)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(CH3)(OH){1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1560	0.016	2	109.1560	0.000	2	108.8440	0.147	4	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[3]C[6]O)(C[6]C[6]HO)(H)2	C[6](C[3]C[3]2H)(C[6]C[6]HH)(C[6]N[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]O)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[3]C[3]2H)(C[6]C[6]HH)(C[6]N[6]HH)(OH){1|C<4>,1|O<2>,1|S<4>,5|H<1>}	H(C[6]C[6]2H)	109.0635	0.009	2	109.0635	0.000	2	109.0635	0.000	2	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C-4:C-2:	C[6]-4:	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(CCHH)(CN)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(CCHH)(CN){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.5475	0.293	4	108.5475	0.086	4	108.5475	0.086	4	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[4]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[4]C[4]S[4]H)(C[6]C[6]HH)2(OH)	H(C[6]C[6]2H)	C[6](C[6]C[4]C[6]O)(C[6]C[6]HH)(H)2{1|S<3>,2|C<4>,5|H<1>}	C[6](C[4]C[4]S[4]H)(C[6]C[6]HH)2(OH){1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.1530	0.168	6	109.1530	0.028	6	109.1530	0.028	6	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,5,6]CO)(C[6]C[5,6]HH)(H)2	C[6](C[5,5,6]C[5,5]N[5,6]C[5])(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]CO)(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,5,6]C[5,5]N[5,6]C[5])(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.7515	0.018	2	108.7515	0.000	2	108.7515	0.000	2	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6,6]CO)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CO)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(OH){1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.8695	0.049	2	108.8695	0.002	2	108.5894	0.046	7	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6,6]CO)(C[6]C[6]HO)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CO)(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(OH){2|H<1>,2|O<2>,5|C<4>}	H(C[6]C[6]2H)	108.4774	0.118	5	108.4774	0.014	5	108.5894	0.046	7	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[3]O[6]O)(C[6]C[5,6]CO)(H)2	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[3]O[6]O)(C[6]C[5,6]CO)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(CH3)(OH){2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9255	0.018	2	108.9255	0.000	2	108.7782	0.328	56	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CO)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CO)(H)2{1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9210	0.018	2	108.9210	0.000	2	108.7782	0.328	56	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]CO)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]CO)(H)2{1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(OH){2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.0595	0.016	2	109.0595	0.000	2	108.7782	0.328	56	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[6]2H)	108.4545	0.855	6	108.4545	0.731	6	108.7782	0.328	56	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,5|H<1>}	H(C[6]C[6]2H)	107.4695	1.514	2	107.4695	2.292	2	108.7782	0.328	56	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HN)(H)2	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CCCH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HN)(H)2{2|Se<2>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CCCH)(OH){1|Se<2>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.8752	0.199	4	108.8752	0.040	4	108.7782	0.328	56	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HN)(H)2	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HN)(H)2{2|Se<2>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CH3)(OH){1|Se<2>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.8295	0.029	2	108.8295	0.001	2	108.7782	0.328	56	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(OH){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.2820	0.010	2	108.4436	0.023	5	108.7782	0.328	56	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5513	0.043	3	108.4436	0.023	5	108.7782	0.328	56	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)(OH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3850	0.014	2	109.3850	0.000	2	108.7782	0.328	56	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6]CC)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(OC){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.7020	0.030	2	108.7020	0.001	2	108.7782	0.328	56	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(OH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.4110	0.008	2	108.4110	0.000	2	108.7782	0.328	56	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OC){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0460	0.013	2	109.0460	0.000	2	108.7782	0.328	56	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CH3)(OO)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CH3)(OO){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.0110	0.011	2	109.0110	0.000	2	108.7782	0.328	56	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9775	0.019	2	108.9775	0.000	2	108.7782	0.328	56	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH){4|H<1>,5|C<4>}	H(C[6]C[6]2H)	107.6215	0.784	2	107.6215	0.615	2	108.7782	0.328	56	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(CH3)(OH){3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6950	0.256	2	108.6950	0.066	2	108.7782	0.328	56	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.4925	0.015	2	109.4925	0.000	2	108.7782	0.328	56	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(H)2{1|C<4>,1|N<2>,2|O<2>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.0819	0.079	11	109.0819	0.006	11	108.7782	0.328	56	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6a]O[6]O)(C[6]C[5,6]CO)(H)2	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]O)(C[6]C[5,6]CO)(H)2{1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(CH3)(OH){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.0690	0.008	2	109.0690	0.000	2	108.7782	0.328	56	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HH)(H)2	C[6](C[5]C[5]2O)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>,3|O<2>}	C[6](C[5]C[5]2O)(C[6]C[6]CH)(C[6]C[6]HH)(OH){2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.2145	0.018	2	109.2145	0.000	2	108.9261	0.491	21	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[5]C[5,6a]N[5]O)(C[6]C[6]HH)2(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[5]C[5,6a]N[5]O)(C[6]C[6]HH)2(OH){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2788	0.054	4	109.2929	0.002	8	108.9261	0.491	21	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[5]C[5,6a]N[5]O)(C[6]C[6]HH)2(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5]C[5,6a]N[5]O)(C[6]C[6]HH)2(OH){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3070	0.044	4	109.2929	0.002	8	108.9261	0.491	21	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[5]C[5]2H)(C[6]C[6]HH)2(OTi)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]HH)2(OTi){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2730	0.073	4	109.2730	0.005	4	108.9261	0.491	21	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[5]C[5]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OSi)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OSi){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.0150	0.017	2	109.0150	0.000	2	108.9261	0.491	21	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(OSi)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(OSi){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1450	0.000	1	109.1450	0.000	1	108.9261	0.491	21	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HO)(H)2	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.0985	0.028	2	108.0985	0.001	2	108.9261	0.491	21	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HO)(H)2	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	107.1060	0.045	2	107.1060	0.002	2	108.9261	0.491	21	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:S-2:	C[6]-4:	C[6](C[6]C[5]C[6]S)(C[6]C[6]HH)(H)2	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)2(SC[6a])	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]S)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)2(SC[6a]){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.7750	0.081	4	108.7750	0.007	4	108.7750	0.007	4	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-2:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CN)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CN){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3920	0.006	2	109.3920	0.000	2	109.3920	0.000	2	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:N-2:	C[6]-4:	C[6](C[6]C[6,6]CN)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NC)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CN)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NC){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.4678	0.916	6	108.4678	0.839	6	108.5075	0.605	8	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:N-2:	C[6]-4:	C[6](C[6]C[6,6]CN)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(NC)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CN)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(NC){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6265	0.016	2	108.6265	0.000	2	108.5075	0.605	8	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]CO)(H)2	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]CO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CH3)(OH){3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5410	0.011	2	108.5410	0.000	2	108.9424	0.075	76	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]Cr)(C[6]C[6]HH)(CH3)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2{1|Cr<9>,1|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]Cr)(C[6]C[6]HH)(CH3)(OC){3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3278	0.111	8	109.3278	0.012	8	108.9424	0.075	76	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(OH){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.9680	0.067	4	108.9680	0.005	4	108.9424	0.075	76	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0555	0.060	2	109.1663	0.019	4	108.9424	0.075	76	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2770	0.058	2	109.1663	0.019	4	108.9424	0.075	76	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(OH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.5180	0.007	2	108.8145	0.117	4	108.9424	0.075	76	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(OH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1110	0.010	2	108.8145	0.117	4	108.9424	0.075	76	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCO)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCO)(OH){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7755	0.023	2	108.7755	0.001	2	108.9424	0.075	76	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OC){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.9695	0.033	2	108.9695	0.001	2	108.9424	0.075	76	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.7220	0.057	2	108.8684	0.080	37	108.9424	0.075	76	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.8915	0.030	2	108.8684	0.080	37	108.9424	0.075	76	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8015	0.039	2	108.8684	0.080	37	108.9424	0.075	76	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9870	0.025	2	108.8684	0.080	37	108.9424	0.075	76	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7543	0.568	6	108.8684	0.080	37	108.9424	0.075	76	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.8885	0.035	2	108.8684	0.080	37	108.9424	0.075	76	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9654	0.075	7	108.8684	0.080	37	108.9424	0.075	76	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7381	0.179	10	108.8684	0.080	37	108.9424	0.075	76	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3425	0.006	2	108.8684	0.080	37	108.9424	0.075	76	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0990	0.027	2	108.8684	0.080	37	108.9424	0.075	76	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(OH){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0590	0.072	2	109.0590	0.005	2	108.9424	0.075	76	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(OH){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9290	0.013	2	108.9904	0.008	7	108.9424	0.075	76	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(OH){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0150	0.093	5	108.9904	0.008	7	108.9424	0.075	76	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9930	0.025	2	108.9930	0.001	2	108.9424	0.075	76	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6]CO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6]CO)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OC){1|S<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.7320	0.008	2	108.7320	0.000	2	108.9424	0.075	76	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6,6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[5]C[5]2C)(C[6]C[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]O)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[6](C[6]C[6,6]HH)(C[5]C[5]2C)(C[6]C[6]HH)(OH){1|O<2>,4|H<1>,6|C<4>}	H(C[6]C[6]2H)	108.9395	0.046	2	108.9395	0.002	2	108.9395	0.002	2	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCO)(CN)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCO)(CN){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.6685	0.342	2	107.6685	0.117	2	109.0257	0.705	31	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CN)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CN){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7150	0.600	6	108.7150	0.360	6	109.0257	0.705	31	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HH)(CN)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HH)(CN){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2460	0.000	1	109.2460	0.000	1	109.0257	0.705	31	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HO)(CN)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HO)(CN){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.3390	0.464	2	108.3390	0.215	2	109.0257	0.705	31	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(CN)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(CN){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9980	0.396	2	108.9980	0.157	2	109.0257	0.705	31	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CN)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CN){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1550	0.008	2	109.4310	0.238	4	109.0257	0.705	31	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CN)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CN){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7070	0.641	2	109.4310	0.238	4	109.0257	0.705	31	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(CN)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(CN){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0245	0.008	2	109.0245	0.000	2	109.0257	0.705	31	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(CN)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(CN){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.6085	1.409	2	108.6085	1.986	2	109.0257	0.705	31	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(CN)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(CN){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0230	0.434	2	109.0230	0.188	2	109.0257	0.705	31	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(CN)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(CN){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	111.1015	0.972	2	111.1015	0.945	2	109.0257	0.705	31	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6]HH)2(CH3)(CN)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H)2{3|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(CH3)(CN){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2H)	109.0940	0.000	1	109.1687	0.005	6	109.0257	0.705	31	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6]HH)2(CH3)(CN)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H)2{3|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(CH3)(CN){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.1836	0.065	5	109.1687	0.005	6	109.0257	0.705	31	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CN)(H)2	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)(NN)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CN)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)(NN){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1990	0.000	1	109.1990	0.000	1	108.8615	0.229	11	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]CN)(H)2	C[6](C[6]C[6]HH)2(CH3)(NC)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]CN)(H)2{1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(NC){1|Br<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.9540	0.011	2	107.9540	0.000	2	108.8615	0.229	11	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HN)(NN)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HN)(NN){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9357	0.059	4	108.9357	0.003	4	108.8615	0.229	11	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(NC)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(NC){1|Br<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9640	0.014	2	108.9640	0.000	2	108.8615	0.229	11	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(NN)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HN)(H)2{1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(NN){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	109.3490	0.004	2	109.3490	0.000	2	108.8615	0.229	11	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[3]C[6]C)(C[6]C[6]CO)(H)2	C[6](C[6]C[6]HH)2(CHHO)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]C)(C[6]C[6]CO)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CHHO)(OH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8380	0.021	2	108.8380	0.000	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]CO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CH3)(OH){1|Cl<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9070	0.087	4	108.9070	0.008	4	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(OH){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0210	0.038	2	109.0210	0.001	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[5,5]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[5,5]HH)(OH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9840	0.000	1	108.9840	0.000	1	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6]HH)(OH){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.4210	0.040	2	108.4210	0.002	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH)(OH){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6180	0.023	2	108.6180	0.001	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(OH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2665	0.042	4	109.2665	0.002	4	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	106.5915	0.026	2	106.5915	0.001	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.1945	0.045	2	109.1945	0.002	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2120	0.000	1	109.2120	0.000	1	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(OC){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	110.2340	5.644	2	110.2340	31.856	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHH)(OH){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8440	0.037	2	108.8440	0.001	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CClHH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CClHH)(OH){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8385	0.016	2	108.8385	0.000	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6105	1.131	2	108.9398	0.422	5	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1593	0.153	3	108.9398	0.422	5	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.7915	0.039	2	108.9088	0.010	25	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1620	0.010	2	108.9088	0.010	25	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.8958	0.058	21	108.9088	0.010	25	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1803	0.136	11	109.1803	0.018	11	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(OH){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8026	0.145	16	108.8026	0.021	16	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9438	0.108	5	108.9438	0.012	5	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(OH){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2860	0.054	2	109.0628	0.043	5	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9140	0.026	3	109.0628	0.043	5	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8849	0.577	10	108.8849	0.333	10	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.5165	0.036	2	108.5165	0.001	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2{4|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(CH3)(OH){2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.0895	0.008	2	109.0895	0.000	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]CO)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCHH)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CO)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCHH)(OC){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	108.4285	0.022	2	108.4285	0.000	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6]HH)2(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]CO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CH3)(OH){1|Br<1>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5205	0.005	2	109.5205	0.000	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|Cl<1>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.0250	0.007	2	108.0250	0.000	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(H)2{1|C<4>,1|S<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(OH){5|C<4>}	H(C[6]C[6]2H)	106.3370	0.133	2	106.3370	0.018	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(H)2	C[6](C[6]C[6]HH)2(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CH3)(OH){1|Br<1>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.1775	0.046	2	108.1775	0.002	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCo2C)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCo2C)(OH){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5515	0.282	12	108.5515	0.080	12	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8510	0.048	4	108.8510	0.002	4	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHS)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHS)(OH){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6773	2.172	4	108.6773	4.718	4	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{1|C<3>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(OH){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.1420	0.000	1	109.1420	0.000	1	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(OH){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.5820	0.023	2	109.5820	0.001	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHO)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHO)(OH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2435	0.107	2	109.2435	0.011	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	104.9145	2.541	2	104.9145	6.455	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(CCHO)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(CCHO)(OC){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0920	0.004	2	109.0920	0.000	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CH3)(OH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1880	0.004	2	109.1880	0.000	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(CH3)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8850	0.069	4	108.8850	0.005	4	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2240	0.004	2	109.2240	0.000	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]HH)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7305	0.066	2	108.7305	0.004	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	107.4398	1.929	4	107.4398	3.721	4	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CClHH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CClHH)(OH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8570	0.017	2	108.8570	0.000	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3720	0.006	2	110.8801	9.195	9	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	113.2780	5.862	2	110.8801	9.195	9	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.8215	2.630	4	110.8801	9.195	9	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3350	0.000	1	110.8801	9.195	9	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1230	0.000	1	108.8790	0.385	33	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.4315	1.002	2	108.8790	0.385	33	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8812	0.061	4	108.8790	0.385	33	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1922	0.082	6	108.8790	0.385	33	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|I<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0990	0.064	2	108.8790	0.385	33	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8969	0.610	18	108.8790	0.385	33	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC3)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0535	0.012	2	109.0535	0.000	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCH)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1075	0.028	2	109.1075	0.001	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CF3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CF3)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9060	0.007	2	108.9060	0.000	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3615	0.018	2	109.1690	0.050	4	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9765	0.022	2	109.1690	0.050	4	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(OH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.0613	0.138	3	109.0613	0.019	3	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1300	0.016	2	109.1300	0.000	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(OO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(OO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.8745	0.018	2	108.8745	0.000	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0480	0.035	4	108.9573	0.010	11	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.9603	0.042	3	108.9573	0.010	11	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]2H)	108.8642	0.083	4	108.9573	0.010	11	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1195	0.033	2	109.1195	0.001	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CN[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CN[6]HH)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2540	0.033	4	109.2540	0.001	4	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CH3)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9388	0.215	11	108.9110	0.036	15	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|P<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CH3)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8345	0.067	4	108.9110	0.036	15	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CCHH)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CCHH)(OC){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	107.3910	0.383	2	107.3910	0.147	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCHH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCHH)(OH){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3825	0.030	2	109.3825	0.001	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(OC){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3635	0.006	2	109.3635	0.000	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC3)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0630	0.093	3	109.6100	0.655	7	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CC3)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.0203	0.883	4	109.6100	0.655	7	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(OC){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9768	1.010	16	108.8995	1.321	24	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(OC){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7655	1.323	4	108.8995	1.321	24	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(OC){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7240	1.782	4	108.8995	1.321	24	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1972	0.033	4	109.1564	0.002	10	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1292	0.032	6	109.1564	0.002	10	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHP)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CCHP)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1295	0.085	4	109.1295	0.007	4	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[6a]CH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC[6a]CH)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6913	1.165	74	108.6913	1.357	74	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CClHS)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CClHS)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3732	0.100	4	109.3732	0.010	4	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCo2C)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CCo2C)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1515	0.200	4	109.1515	0.040	4	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CF3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(CF3)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4075	0.053	4	109.3238	0.019	6	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CF3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CF3)(OH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.1565	0.015	2	109.3238	0.019	6	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CH3)(OC){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9193	0.086	3	108.9193	0.007	3	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0143	0.165	7	109.0286	0.015	16	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.1295	0.042	2	109.0286	0.015	16	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0141	0.074	7	109.0286	0.015	16	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CHHN)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CHHN)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0052	0.140	15	109.0052	0.020	15	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CHHO)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CHHO)(OH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4240	0.020	2	109.4240	0.000	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CHHO)(ON)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CHHO)(ON){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0157	0.040	4	109.0157	0.002	4	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CN[5]CH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CN[5]CH)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1859	0.066	10	109.1859	0.004	10	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.9532	1.284	4	109.4966	0.812	9	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.1312	0.111	5	109.4966	0.812	9	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HN)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(OH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.8890	0.013	2	108.8890	0.000	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(CF3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CF3)(OH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.9590	0.027	2	108.9590	0.001	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CC[6]HO)(OSi)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CC[6]HO)(OSi){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	108.8870	0.007	2	108.8870	0.000	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	108.0940	0.064	4	108.1789	0.188	18	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	108.2032	0.492	14	108.1789	0.188	18	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CHHO)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CHHO)(OH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.2885	0.016	2	109.2885	0.000	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.1910	0.004	2	109.1358	0.004	4	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.0805	0.013	2	109.1358	0.004	4	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(OH){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	H(C[6]C[6]2H)	108.6995	0.047	2	108.6995	0.002	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.3385	1.224	2	109.3385	1.498	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]N[6]CH)(H)2	C[6](C[6]C[6]HH)2(CCl3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCl3)(OH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.5660	0.047	2	108.5660	0.002	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.9382	0.137	4	109.0930	1.623	8	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.2477	1.924	4	109.0930	1.623	8	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.2802	0.114	18	109.2802	0.013	18	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCl3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCl3)(OH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5520	0.000	1	109.5520	0.000	1	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)2(CF3)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]O[6]CC)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CF3)(OC){2|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.9485	0.016	2	108.9485	0.000	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)2(CF3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]O[6]CC)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CF3)(OH){1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.3075	0.945	2	107.9017	3.187	8	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)2(CF3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]O[6]CC)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CF3)(OH){2|O<2>,3|C<4>}	H(C[6]C[6]2H)	107.4332	1.797	6	107.9017	3.187	8	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]CO)(H)2	C[6](C[6]C[6]HH)2(CF3)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]O[6]CO)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CF3)(OC){2|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.4835	0.029	2	109.4835	0.001	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]CO)(H)2	C[6](C[6]C[6]HH)2(CF3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]O[6]CO)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CF3)(OH){1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	110.7240	0.594	2	110.4029	0.790	8	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]CO)(H)2	C[6](C[6]C[6]HH)2(CF3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]O[6]CO)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CF3)(OH){2|O<2>,3|C<4>}	H(C[6]C[6]2H)	110.2958	0.990	6	110.4029	0.790	8	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.5452	1.115	6	109.5452	1.242	6	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(OH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.3300	0.007	2	109.3300	0.000	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OC){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	108.5218	0.096	6	108.5218	0.009	6	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]CO)(H)2	C[6](C[6]C[6]HH)2(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]CO)(H)2{3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(OH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.8875	0.016	2	108.8875	0.000	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(H)2	C[6](C[6]C[6]HH)2(CF3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(H)2{3|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(CF3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.4305	0.019	2	109.4305	0.000	2	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CO)(H)2	C[6](C[6]C[6]HH)2(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CO)(H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.6320	0.000	1	108.3090	0.511	3	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CO)(H)2	C[6](C[6]C[6]HH)2(CH3)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CO)(H)2{1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(OH){1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	108.1475	0.930	2	108.3090	0.511	3	108.9279	0.952	557	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:S-2:	C[6]-4:	C[6](C[6]C[6]CS)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(SP)	H(C[6]C[6]2H)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(SP){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7335	0.023	2	108.7335	0.001	2	108.7335	0.001	2	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CN)	H(C[6]C[6]2H)	C[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CN){1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6]2H)	108.9410	0.416	2	108.9410	0.173	2	108.9410	0.173	2	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2C)(C[6]C[6]HH)2(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2{1|C<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6]2C)(C[6]C[6]HH)2(OH){4|C<4>,7|H<1>}	H(C[6]C[6]2H)	108.8418	0.294	4	108.8418	0.086	4	108.8576	2.678	49	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2F)(C[6]C[6]HH)2(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2{1|F<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6]2F)(C[6]C[6]HH)2(OH){3|C<4>,8|H<1>}	H(C[6]C[6]2H)	107.6997	4.046	8	107.6997	16.370	8	108.8576	2.678	49	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(OH){1|O<1>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.0895	0.060	11	109.1286	0.007	19	108.8576	2.678	49	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(OH){1|O<2>,3|C<4>,7|H<1>}	H(C[6]C[6]2H)	109.1824	0.090	8	109.1286	0.007	19	108.8576	2.678	49	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2O)(C[6]C[6]HH)2(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6]2O)(C[6]C[6]HH)2(OC){3|C<4>,8|H<1>}	H(C[6]C[6]2H)	109.1486	0.098	5	109.1486	0.010	5	108.8576	2.678	49	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2O)(C[6]C[6]HH)2(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6]2O)(C[6]C[6]HH)2(OH){3|C<4>,8|H<1>}	H(C[6]C[6]2H)	109.2137	0.115	6	109.2137	0.013	6	108.8576	2.678	49	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2	C[6](C[6]N[5,6]C[6]H)(C[6]C[6]HH)2(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]N[5,6]C[6]H)(C[6]C[6]HH)2(OH){2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	108.9410	0.118	7	108.9410	0.014	7	108.8576	2.678	49	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:S-2:	C[6]-4:	C[6](C[6]C[6]2S)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(SC)	H(C[6]C[6]2H)	C[6](C[6]C[6]2S)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(SC){1|O<1>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	108.9350	0.072	8	108.9350	0.005	8	108.8533	0.019	12	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:S-2:	C[6]-4:	C[6](C[6]C[6]2S)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(SC[6a])	H(C[6]C[6]2H)	C[6](C[6]C[6]2S)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(SC[6a]){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.6898	0.062	4	108.6898	0.004	4	108.8533	0.019	12	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:C-2:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(NH3)(CC)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NH3)(CC){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3757	0.025	4	109.3757	0.001	4	109.3757	0.001	4	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:2:	4:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:	C[6](S[6]C[4,6]OO)(C[6]C[6]CN)(H)2	C[6](C[6]N[4,6]CH)(C[6]S[6]HH)(CH3)(NN)	H(C[6]C[6]S[6]H)	C[6](S[6]C[4,6]OO)(C[6]C[6]CN)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[4,6]CH)(C[6]S[6]HH)(CH3)(NN){1|C<3>,1|C<4>,2|O<1>}	H(C[6]C[6]S[6]H)	108.0050	0.204	6	108.0050	0.042	6	108.0050	0.042	6	108.8783	0.804	967	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]CC)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(CH3)(CCH)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]CC)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(CH3)(CCH){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3,6,6]C[6]H)	108.6940	0.020	2	108.6940	0.000	2	108.6940	0.000	2	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CC)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(CH3)(CHO)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CC)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(CH3)(CHO){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.9215	0.035	2	109.9215	0.001	2	109.9215	0.001	2	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(CCH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(CCH){2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.4250	0.034	2	109.4250	0.001	2	109.4250	0.001	2	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CNO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CNO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7897	0.054	3	108.7897	0.003	3	108.6505	0.690	107	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(COO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8469	0.172	28	108.7447	0.179	30	108.6505	0.690	107	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{2|H<1>,6|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(COO){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	107.3145	0.005	2	108.7447	0.179	30	108.6505	0.690	107	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)2(CCHH)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)2(CCHH)(COO){2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.8850	3.185	2	108.5883	5.762	4	108.6505	0.690	107	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)2(CCHH)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6,6]HH)2(CCHH)(COO){2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.2915	2.606	2	108.5883	5.762	4	108.6505	0.690	107	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)2(CC[6a]HH)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6]C[6,6]HH)2(CC[6a]HH)(COO){2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1154	1.935	8	109.1154	3.743	8	108.6505	0.690	107	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)2(CH3)(CHO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,6|H<1>}	C[6](C[6]C[6,6]HH)2(CH3)(CHO){5|C<4>}	H(C[6]C[6,6]C[6]H)	109.3777	0.114	3	109.3777	0.013	3	108.6505	0.690	107	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)2(CH3)(CNO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6]C[6,6]HH)2(CH3)(CNO){2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.2843	0.073	4	108.2843	0.005	4	108.6505	0.690	107	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)2(CH3)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6]C[6,6]HH)2(CH3)(COO){1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.3205	0.008	2	108.3260	0.009	38	108.6505	0.690	107	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)2(CH3)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6]C[6,6]HH)2(CH3)(COO){2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.3265	0.100	35	108.3260	0.009	38	108.6505	0.690	107	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)2(CH3)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,6|H<1>}	C[6](C[6]C[6,6]HH)2(CH3)(COO){1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.3180	0.000	1	108.3260	0.009	38	108.6505	0.690	107	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.7790	0.064	4	108.6475	0.020	13	108.6505	0.690	107	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCH){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.6478	0.115	4	108.6475	0.020	13	108.6505	0.690	107	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCH){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.5422	0.126	5	108.6475	0.020	13	108.6505	0.690	107	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCO){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.8847	1.783	4	109.8847	3.179	4	108.6505	0.690	107	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(Cl)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]ClH)(CH3)(CCH)	H(C[6]C[6]2Cl)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(Cl)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[6]ClH)(CH3)(CCH){2|C<4>,3|H<1>}	H(C[6]C[6]2Cl)	107.3320	0.000	1	107.3320	0.000	1	107.7180	0.298	2	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CH3)(CCH)	H(C[6]C[6]2Cl)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Cl)(H){1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CH3)(CCH){1|Cl<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2Cl)	108.1040	0.000	1	108.1040	0.000	1	107.7180	0.298	2	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(F)(H)	C[6](C[6]C[4,6]CH)(C[6]C[6]FH)(CH3)(CCO)	H(C[6]C[6]2F)	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(F)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]CH)(C[6]C[6]FH)(CH3)(CCO){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2F)	108.3350	0.395	2	108.3350	0.156	2	108.3350	0.156	2	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[3]C[6]C)(C[6]C[6]CO)(H)2	C[6](C[3]C[3]O[3]C)(C[6]C[6]HH)2(COO)	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]C)(C[6]C[6]CO)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[3]C[3]O[3]C)(C[6]C[6]HH)2(COO){1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7990	0.038	2	108.7990	0.001	2	108.8909	0.024	7	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[3]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[3]C[3]2H)(C[6]C[6]HH)2(CNO)	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[3]C[3]2H)(C[6]C[6]HH)2(CNO){1|C<3>,1|C<4>,7|H<1>}	H(C[6]C[6]2H)	108.9380	0.199	4	108.9380	0.040	4	108.8909	0.024	7	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[3]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[3]C[3]O[3]C)(C[6]C[6]HH)2(COO)	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[3]C[3]O[3]C)(C[6]C[6]HH)2(COO){1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8860	0.000	1	108.8860	0.000	1	108.8909	0.024	7	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[4,6]CC)(H)2	C[6](C[4,6]C[3,4,6]C[4,6]O)(C[6]C[6]HH)(CH3)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[4,6]CC)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[4,6]C[3,4,6]C[4,6]O)(C[6]C[6]HH)(CH3)(COO){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9200	0.077	3	108.9200	0.006	3	108.9200	0.006	3	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(CCHH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[5,6]HH)(H)2{2|C<4>,3|O<2>}	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(CCHH)(COO){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.1520	0.532	2	109.1520	0.283	2	108.8869	0.089	16	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(CC[6a]HH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[5,6]HH)(H)2{2|C<4>,3|O<2>}	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(CC[6a]HH)(COO){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.0935	0.013	2	109.0935	0.000	2	108.8869	0.089	16	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]O[5,6]O[5]O)(C[6]C[6]HH)(CC[6a]HH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,3|O<2>}	C[6](C[5,6]O[5,6]O[5]O)(C[6]C[6]HH)(CC[6a]HH)(COO){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9845	0.199	4	108.9845	0.040	4	108.8869	0.089	16	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CH3)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CH3)(CCH){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0900	0.018	2	109.0900	0.000	2	108.8869	0.089	16	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(COO){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.5580	0.020	2	108.5970	0.016	6	108.8869	0.089	16	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(COO){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.6165	0.159	4	108.5970	0.016	6	108.8869	0.089	16	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:N-3:	C[6]-4:	C[6](C[6]C[5,6]CN)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(CH3)(NHS)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CN)(C[6]C[5,6]HO)(H)2{2|Se<2>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(CH3)(NHS){1|Se<2>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.5790	0.048	2	108.5790	0.002	2	108.5427	0.003	4	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:N-3:	C[6]-4:	C[6](C[6]C[5,6]CN)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CCHH)(NHS)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CN)(C[6]C[5,6]HO)(H)2{2|Se<2>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CCHH)(NHS){1|Se<2>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.5065	0.005	2	108.5065	0.000	2	108.5427	0.003	4	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(CH3)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(CH3)(COO){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.7135	0.005	2	108.7135	0.000	2	108.8681	0.056	171	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CHN)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CHN){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9200	0.006	2	108.9200	0.000	2	108.8681	0.056	171	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CHO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CHO){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8500	0.000	1	108.8500	0.000	1	108.8681	0.056	171	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CNN)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CNN){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0270	0.000	1	109.0270	0.000	1	108.8681	0.056	171	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CNO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CNO){1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.7865	0.011	2	108.8455	0.050	12	108.8681	0.056	171	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CNO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CNO){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8573	0.246	10	108.8455	0.050	12	108.8681	0.056	171	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9833	0.277	47	108.8888	0.055	143	108.8681	0.056	171	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1685	0.054	2	108.8888	0.055	143	108.8681	0.056	171	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8356	0.190	94	108.8888	0.055	143	108.8681	0.056	171	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(COO){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7525	0.008	2	108.7525	0.000	2	108.8681	0.056	171	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(COO){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7820	0.038	2	108.5683	0.042	8	108.8681	0.056	171	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(COO){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.2770	0.013	2	108.5683	0.042	8	108.8681	0.056	171	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(COO){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6070	0.096	4	108.5683	0.042	8	108.8681	0.056	171	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[3,6]HS)(C[6]C[6]HH)(CH3)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CC)(H)2{1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C[6](C[6]C[3,6]HS)(C[6]C[6]HH)(CH3)(COO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.2485	0.006	2	109.2485	0.000	2	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[3x6]HO)(C[6]C[6]HH)(CH3)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[3x6]HO)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0720	0.045	2	109.0720	0.002	2	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[4x6]CH)(C[6]C[6]HH)(CH3)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[4x6]CH)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.0920	0.008	2	109.0920	0.000	2	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.1490	0.181	4	109.1490	0.033	4	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(CCH){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5660	0.053	3	108.5660	0.003	3	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CCHH)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CCHH)(CCH){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9400	0.058	2	108.9400	0.003	2	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CCCH)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]CC)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CCCH)(CCH){1|C<3>,1|H<1>,2|O<2>}	H(C[6]C[6]2H)	108.8150	0.081	2	108.8150	0.006	2	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(CH3)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(CH3)(CCH){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9880	0.000	1	108.9880	0.000	1	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CCO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CCO){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0383	0.095	3	108.7001	5.231	7	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CCO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CCO){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.4465	3.203	4	108.7001	5.231	7	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(CCO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(CCO){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0090	0.004	2	109.0090	0.000	2	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9150	0.596	4	108.8411	0.102	14	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCH){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8086	0.079	5	108.8411	0.102	14	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCH){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8146	0.225	5	108.8411	0.102	14	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1218	0.235	4	109.3397	0.582	8	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCO){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5577	1.084	4	109.3397	0.582	8	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CNO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CNO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4037	0.041	3	109.4037	0.002	3	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(COO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2394	0.159	26	109.2107	0.035	28	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(COO){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8375	0.053	2	109.2107	0.035	28	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3870	0.000	1	109.1037	0.060	3	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(CCH){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9620	0.004	2	109.1037	0.060	3	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]BrC)(C[6]C[6]CC)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CCHH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrC)(C[6]C[6]CC)(H)2{1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CCHH)(COO){1|Br<1>,1|C<3>,1|C<4>}	H(C[6]C[6]2H)	108.7865	0.023	2	108.7865	0.001	2	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(CCHO)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(CCHO)(CHH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	105.0580	3.840	2	105.0580	14.742	2	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCHH)(CHN)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCHH)(CHN){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6]2H)	108.9303	0.058	4	108.9303	0.003	4	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CH3)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CH3)(CCH){1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.9330	0.018	2	108.9330	0.000	2	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(CH3)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(CH3)(CCH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.9470	0.060	4	108.9470	0.004	4	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CNO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CNO){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8578	0.062	12	108.8578	0.004	12	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(COO){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.0985	0.182	2	109.1148	0.009	6	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(COO){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1230	0.065	4	109.1148	0.009	6	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CCO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CCO){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9620	0.017	2	109.0913	0.018	9	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CCO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CCO){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1283	0.129	7	109.0913	0.018	9	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CHO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CHO){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1790	0.021	2	109.1790	0.000	2	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(COO){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.0495	0.012	2	109.0495	0.000	2	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(COO){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.8910	0.023	2	108.8910	0.001	2	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|Cl<1>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(COO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9920	0.101	3	108.9920	0.010	3	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(COO){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.4729	1.002	11	108.4729	1.004	11	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(CNO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(CNO){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0417	0.105	4	109.0417	0.011	4	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(COO){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8683	0.259	3	109.0111	0.045	7	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(COO){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1183	0.093	4	109.0111	0.045	7	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[6]HO)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CC[6]HO)(COO){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3095	0.026	2	109.3095	0.001	2	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CFFH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CFFH)(COO){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8927	1.089	4	108.8927	1.186	4	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(CCO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(CCO){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1312	0.133	4	109.1312	0.018	4	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(CNO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CH3)(CNO){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8510	0.125	3	108.8510	0.016	3	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)2(H)2	C[6](C[6]C[6]HH)2(CH3)(CNO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CH3)(CNO){2|C<3>,3|C<4>}	H(C[6]C[6]2H)	107.7735	0.311	4	107.7735	0.097	4	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)2(H)2	C[6](C[6]C[6]HH)2(CH3)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CH3)(COO){2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.0044	1.266	62	108.0044	1.604	62	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]CC)(H)2	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CH3)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClC)(C[6]C[6]CC)(H)2{2|Cl<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CH3)(CCH){1|Cl<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.7200	0.130	2	107.7200	0.017	2	108.6697	1.063	236	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]CN)(H)2	C[6](C[6]C[6]HH)2(CH3)(NCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]CN)(H)2{1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(NCH){1|Br<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.2350	0.045	2	108.2350	0.002	2	108.8140	1.848	47	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(NCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CN)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(NCH){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	107.5590	0.000	1	107.5590	0.000	1	108.8140	1.848	47	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HI)(CHHO)(NHH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,1|I<1>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HI)(CHHO)(NHH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0340	0.000	1	109.0340	0.000	1	108.8140	1.848	47	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(NOO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(NOO){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.9470	0.056	4	109.9470	0.003	4	108.8140	1.848	47	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(NCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(NCH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	107.7466	2.289	12	107.7466	5.240	12	108.8140	1.848	47	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(NCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)(NCH){1|Br<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9305	0.006	2	108.9305	0.000	2	108.8140	1.848	47	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CF3)(NOO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CF3)(NOO){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2384	0.131	7	109.2384	0.017	7	108.8140	1.848	47	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(CH3)(NHS)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(CH3)(NHS){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4350	0.052	2	109.4350	0.003	2	108.8140	1.848	47	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]N[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(NOO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(NOO){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.4880	0.040	2	109.4880	0.002	2	108.8140	1.848	47	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)(NCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(NCH){1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.2040	0.038	4	109.2040	0.001	4	108.8140	1.848	47	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]O[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(NHS)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(NHS){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	108.7695	0.015	2	108.7695	0.000	2	108.8140	1.848	47	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CN)(H)2	C[6](C[6]C[6]HH)2(CBrHH)(NOO)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CN)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)2(CBrHH)(NOO){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.8025	0.026	2	109.8025	0.001	2	108.8140	1.848	47	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CN)(H)2	C[6](C[6]C[6]HH)2(CH3)(NCH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CN)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)(NCH){1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.8762	0.175	4	108.8762	0.031	4	108.8140	1.848	47	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CN)(H)2	C[6](C[6]C[6]HH)2(CH3)(NOO)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CN)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)2(CH3)(NOO){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.3040	0.051	2	109.3040	0.003	2	108.8140	1.848	47	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-3:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[6a]CH)(OMg2)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC[6a]CH)(OMg2){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1870	0.063	3	109.1870	0.004	3	108.7825	0.069	11	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-3:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[6]HH)(OCoH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]S[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CC[6]HH)(OCoH){1|S<2>,4|H<1>}	H(C[6]C[6]2H)	108.6377	0.028	4	108.6377	0.001	4	108.7825	0.069	11	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-3:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]S[6]HH)(H)2	C[6](C[6]C[6]HH)2(CC[6]HH)(ONiH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]S[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CC[6]HH)(ONiH){1|S<2>,4|H<1>}	H(C[6]C[6]2H)	108.6238	0.055	4	108.6238	0.003	4	108.7825	0.069	11	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2C)(C[6]C[6]HH)2(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]2C)(C[6]C[6]HH)2(COO){3|C<4>,8|H<1>}	H(C[6]C[6]2H)	108.9648	0.085	4	108.9648	0.007	4	108.9648	0.007	4	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6]2N)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(NCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]2N)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(NCH){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	108.9040	0.247	4	108.9040	0.061	4	108.9040	0.061	4	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:C-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(NH3)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(NH3)(COO){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.0445	2.278	2	109.0445	5.187	2	109.6104	4.970	28	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:C-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(CNO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(CNO){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1273	0.134	8	109.1273	0.018	8	109.6104	4.970	28	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:C-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(NCCH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NCCH)(COO){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8850	0.135	4	108.8850	0.018	4	109.6104	4.970	28	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:C-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(NCoHH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NCoHH)(COO){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.7944	3.064	8	110.7944	9.388	8	109.6104	4.970	28	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:C-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(NH3)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NH3)(COO){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3482	3.062	6	109.3482	9.374	6	109.6104	4.970	28	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:C-3:	C[6]-4:	C[6](C[6]C[6]CP)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PO3)(CHN)	H(C[6]C[6]2H)	C[6](C[6]C[6]CP)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PO3)(CHN){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.7945	0.035	2	108.7945	0.001	2	108.7945	0.001	2	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)(I)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(CHHO)(NHH)	H(C[6]C[6]2I)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)(I){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HI)(CHHO)(NHH){1|C<4>,4|H<1>}	H(C[6]C[6]2I)	106.8890	0.000	1	106.8890	0.000	1	106.8890	0.000	1	108.7827	0.908	651	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	As[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](As[6]Ga[6]CC)(C[6]C[6]CC)(H)2	C[6](C[6]As[6]HH)2(CAsHH)(CH3)	H(C[6]As[6]C[6]H)	C[6](As[6]Ga[6]CC)(C[6]C[6]CC)(H)2{1|As<4>,2|Cl<1>,2|H<1>}	C[6](C[6]As[6]HH)2(CAsHH)(CH3){1|Ga<4>,4|C<4>}	H(C[6]As[6]C[6]H)	107.4543	0.299	4	107.4543	0.089	4	107.4543	0.089	4	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[3x6]CC)(H)2	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[3,6,6]HH)(CH3)2	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[3x6]CC)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[3,6,6]HH)(CH3)2{1|H<1>,2|O<2>,5|C<4>}	H(C[6]C[3,6,6]C[6]H)	108.7630	0.229	2	108.7630	0.052	2	108.7630	0.052	2	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]CC)(H)2	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[3,6]HH)(CH3)2	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]CC)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[3,6]HH)(CH3)2{1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[3,6]C[6]H)	107.4208	0.447	6	107.4208	0.200	6	107.4208	0.200	6	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6]CC)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(CH3)2{2|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	108.8820	0.023	2	109.0615	0.043	4	109.0615	0.043	4	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(CH3)2{2|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	109.2410	0.010	2	109.0615	0.043	4	109.0615	0.043	4	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(CCHH)(CH3)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]CC)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(CCHH)(CH3){2|H<1>,3|C<4>}	H(C[6]C[4,6]C[6]H)	109.0260	0.065	5	109.0260	0.004	5	109.1819	0.037	9	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|C<2>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[4,6]C[6]H)	109.3768	0.030	4	109.3768	0.001	4	109.1819	0.037	9	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]CC)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.8330	4.223	2	108.8330	17.832	2	109.3917	1.809	12	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CC)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)2{2|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6]H)	109.3640	0.441	6	109.5034	0.146	10	109.3917	1.809	12	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CC)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)2{2|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6]H)	109.7125	0.128	4	109.5034	0.146	10	109.3917	1.809	12	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(CH3)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]CC)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(CH3)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.4580	0.008	2	108.4580	0.000	2	108.4580	0.000	2	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(CCHH)(CH3)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]CC)(H)2{3|H<1>,5|C<4>}	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(CCHH)(CH3){2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.5845	0.309	6	108.5845	0.095	6	108.2838	0.591	36	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[4,6]HO)(C[6]C[5,6]HH)(CH3)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]CC)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[4,6]HO)(C[6]C[5,6]HH)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.1570	0.006	2	108.1570	0.000	2	108.2838	0.591	36	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]CC)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	107.4840	0.094	3	107.4840	0.009	3	108.2838	0.591	36	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	106.7340	2.208	2	106.7340	4.873	2	108.2838	0.591	36	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CC)(H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|Cl<1>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.7845	0.110	4	108.7845	0.012	4	108.2838	0.591	36	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	109.0650	1.082	4	109.0650	1.171	4	108.2838	0.591	36	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHI)(CH3)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CC)(H)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHI)(CH3){1|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	108.3610	0.071	2	108.3610	0.005	2	108.2838	0.591	36	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CC)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.0320	0.054	2	108.0393	0.017	6	108.2838	0.591	36	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CC)(H)2{1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.0430	0.164	4	108.0393	0.017	6	108.2838	0.591	36	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CC)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]H)	108.0887	0.077	3	108.0887	0.006	3	108.2838	0.591	36	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	108.1890	0.011	2	108.1890	0.000	2	108.2838	0.591	36	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(CH3)2	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CC)(H)2{1|C<2>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(CH3)2{1|C<3>,1|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]H)	108.7375	0.039	2	108.7375	0.002	2	108.2838	0.591	36	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[3x6]CC)(H)2	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]HH)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[3x6]CC)(H)2{1|O<1>,3|H<1>,4|C<4>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]HH)(CH3)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.0590	1.499	2	108.0590	2.247	2	108.0590	2.247	2	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6]S[6]2)(C[6]C[5]C[6]C)(H)2	C[6](C[5]C[5]O[5]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]S[6]2)(C[6]C[5]C[6]C)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,2|S<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	107.9760	0.040	2	107.9760	0.002	2	107.9760	0.002	2	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]CC)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]CC)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(CH3)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.7995	0.442	2	109.7995	0.195	2	109.7995	0.195	2	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[3,3x6]C[6]2)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,3x6]C[6]2)(C[6]C[6]CC)(H)2{2|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	107.5200	0.024	2	107.5200	0.001	2	108.5734	0.184	114	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(H)2{3|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9870	0.041	2	108.9870	0.002	2	108.5734	0.184	114	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]O[6,6]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]O[6,6]H)(C[6]C[6]CC)(H)2{2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(CH3)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]H)	108.8640	0.006	2	108.8640	0.000	2	108.5734	0.184	114	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.6550	0.198	14	108.6446	0.164	65	108.5734	0.184	114	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.4604	0.140	10	108.6446	0.164	65	108.5734	0.184	114	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.6215	0.131	2	108.6446	0.164	65	108.5734	0.184	114	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7085	0.548	31	108.6446	0.164	65	108.5734	0.184	114	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7155	0.129	6	108.6446	0.164	65	108.5734	0.184	114	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{2|H<1>,6|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.3120	0.025	2	108.6446	0.164	65	108.5734	0.184	114	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.6850	0.000	1	108.6850	0.000	1	108.5734	0.184	114	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.1010	0.007	2	108.1010	0.000	2	108.5734	0.184	114	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHO)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHO)(CH3){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.4295	0.161	2	108.4295	0.026	2	108.5734	0.184	114	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.6820	0.000	1	108.6008	0.031	13	108.5734	0.184	114	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.7720	0.051	2	108.6008	0.031	13	108.5734	0.184	114	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.6965	0.056	2	108.6008	0.031	13	108.5734	0.184	114	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{3|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.5240	0.182	8	108.6008	0.031	13	108.5734	0.184	114	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHHO)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHHO)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7290	0.023	2	108.7290	0.001	2	108.5734	0.184	114	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	107.5890	0.038	2	107.5890	0.001	2	108.5734	0.184	114	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<4>,1|O<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	107.9693	0.011	3	108.2478	0.146	5	108.5734	0.184	114	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	108.6655	0.021	2	108.2478	0.146	5	108.5734	0.184	114	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]CC)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]H)	107.9467	0.327	4	107.9467	0.107	4	108.5734	0.184	114	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]H)	108.9610	0.034	2	108.9610	0.001	2	108.5734	0.184	114	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	108.4820	0.147	4	108.4820	0.021	4	108.5734	0.184	114	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]CC)(H)2{2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(CH3)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.0825	0.009	2	109.0825	0.000	2	108.5734	0.184	114	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)2(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)2(CH3)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]H)	108.8750	0.007	2	108.8750	0.000	2	108.5734	0.184	114	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)2(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]CC)(H)2{2|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6,6]HH)2(CH3)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]H)	108.8730	0.007	2	108.8730	0.000	2	108.5734	0.184	114	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]2C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(C[6]O[6]2H)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]2C)(H)2{3|C<4>,3|O<2>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(C[6]O[6]2H)(CH3){2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	107.9930	0.018	2	107.9930	0.000	2	108.0887	0.028	3	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2C)(H)2{1|C<3>,5|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.2800	0.000	1	108.2800	0.000	1	108.0887	0.028	3	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:S-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]SS)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]SS)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO)2{2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.6363	0.092	6	108.6363	0.008	6	108.5624	0.045	7	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:S-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SS)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SS)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO)2{2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.1190	0.000	1	108.1190	0.000	1	108.5624	0.045	7	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:P[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]Ir)(C[6]P[6]CC)(H)2	C[6](C[6]C[6,6]HH)(P[6]C[6]IrC)(CH3)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]Ir)(C[6]P[6]CC)(H)2{2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(P[6]C[6]IrC)(CH3)2{2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.5685	0.019	2	108.5685	0.000	2	108.5685	0.000	2	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CH3)2	H(C[6]C[6]2Br)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CH3)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2Br)	107.2555	0.144	2	107.1760	0.031	5	107.2875	0.168	19	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CH3)2	H(C[6]C[6]2Br)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2Br)	106.8990	0.000	1	107.1760	0.031	5	107.2875	0.168	19	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CH3)2	H(C[6]C[6]2Br)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CH3)2{4|C<4>,4|H<1>}	H(C[6]C[6]2Br)	107.2350	0.095	2	107.1760	0.031	5	107.2875	0.168	19	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]BrH)(CH3)2	H(C[6]C[6]2Br)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]BrH)(CH3)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6]2Br)	107.6850	0.000	1	107.6850	0.000	1	107.2875	0.168	19	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(CH3)2	H(C[6]C[6]2Br)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(CH3)2{1|C<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[6]2Br)	107.6810	0.160	2	107.3894	0.093	9	107.2875	0.168	19	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(CH3)2	H(C[6]C[6]2Br)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(CH3)2{1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6]2Br)	107.3061	0.289	7	107.3894	0.093	9	107.2875	0.168	19	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(Br)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(CH3)2	H(C[6]C[6]2Br)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(Br)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2Br)	107.0983	0.752	4	107.0983	0.565	4	107.2875	0.168	19	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(CH3)2	H(C[6]C[6]2Br)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2Br)	107.8360	0.000	1	107.4265	0.226	4	107.4265	0.226	4	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(CH3)2	H(C[6]C[6]2Br)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Br)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2Br)	107.2900	0.477	3	107.4265	0.226	4	107.4265	0.226	4	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]O[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]2O)(C[6]O[6]HH)(CC[6]HH)	H(C[6]C[6]2Br)	C[6](C[6]C[6]2C)(C[6]O[6]HH)(Br)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]BrH)(C[6]C[6]2O)(C[6]O[6]HH)(CC[6]HH){1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6]2Br)	108.2640	0.000	1	108.2640	0.000	1	108.2640	0.000	1	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(Cl)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]ClH)(CH3)2	H(C[6]C[6]2Cl)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(Cl)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]ClH)(CH3)2{1|B<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2Cl)	107.5220	0.000	1	107.5220	0.000	1	107.5220	0.000	1	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Cl)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]ClH)(CH3)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Cl)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]ClH)(CH3)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2Cl)	107.3525	0.199	2	107.3525	0.039	2	107.3525	0.039	2	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(CH3)2	H(C[6]C[6]2Cl)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Cl)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2Cl)	107.3453	0.125	3	107.3453	0.016	3	107.3453	0.016	3	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H)	C[6](C[6]C[6]FH)2(CCHN)(CH3)	H(C[6]C[6]2F)	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]FH)2(CCHN)(CH3){1|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]2F)	108.3948	0.794	10	108.3948	0.630	10	108.1724	0.611	18	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H)	C[6](C[6]C[6]FH)2(CCHO)(CH3)	H(C[6]C[6]2F)	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]FH)2(CCHO)(CH3){1|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]2F)	107.5580	0.614	2	107.5580	0.377	2	108.1724	0.611	18	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H)	C[6](C[6]C[6]FH)2(CHHO)(CH3)	H(C[6]C[6]2F)	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]FH)2(CHHO)(CH3){1|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]2F)	108.0067	0.766	6	108.0067	0.587	6	108.1724	0.611	18	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[3,6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6,6]CC)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]HH)(CH3)2{4|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.9840	0.000	1	108.9840	0.000	1	108.9840	0.000	1	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[3,6]CC)(C[6]C[6]CC)(H)2	C[6](C[3,6]C[3]2N[6])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]CC)(C[6]C[6]CC)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[6](C[3,6]C[3]2N[6])(C[6]C[6]HH)(CH3)2{3|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.4475	0.006	2	108.4475	0.000	2	108.4098	0.006	6	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(CH3)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.3135	0.013	2	108.3135	0.000	2	108.4098	0.006	6	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[3,6]CC)(C[6]C[6]HO)(H)2	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[3,6]CC)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.4685	0.032	2	108.4685	0.001	2	108.4098	0.006	6	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[3x6]CC)(C[6]C[6,6]HH)(H)2	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CC)(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7065	0.008	2	108.7065	0.000	2	108.8891	0.057	50	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.9245	0.005	2	109.0017	0.051	28	108.8891	0.057	50	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6500	0.027	2	109.0017	0.051	28	108.8891	0.057	50	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.4300	0.072	2	109.0017	0.051	28	108.8891	0.057	50	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.1209	0.081	16	109.0017	0.051	28	108.8891	0.057	50	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1720	0.007	2	109.0017	0.051	28	108.8891	0.057	50	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0690	0.030	2	109.0017	0.051	28	108.8891	0.057	50	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8105	0.006	2	109.0017	0.051	28	108.8891	0.057	50	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[5,6,6]C[4x6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[3x6]C[5,6,6]C[4x6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.8163	0.226	7	108.8163	0.051	7	108.8891	0.057	50	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[5x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[3x6]C[5x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.8540	0.011	2	108.8540	0.000	2	108.8891	0.057	50	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	108.6282	0.056	9	108.6282	0.003	9	108.8891	0.057	50	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[3x6]CC)(C[6]C[6]HO)(H)2	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CC)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9590	0.037	2	108.9590	0.001	2	108.8891	0.057	50	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[4,6]CC)(C[6]C[6]CH)(H)2	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]CC)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.4800	0.049	2	108.4800	0.002	2	108.7518	0.099	4	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[4,6]CC)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[4,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0235	0.006	2	109.0235	0.000	2	108.7518	0.099	4	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[4]C[6]C)(C[6]C[6]CO)(H)2	C[6](C[4]C[4]2H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[4]C[6]C)(C[6]C[6]CO)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[4]C[4]2H)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6885	0.006	2	108.6885	0.000	2	108.7147	0.002	3	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[4]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[4]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[4]C[4]2H)(C[6]C[6]HH)2(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[4]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[4]C[4]2H)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.7670	0.000	1	108.7670	0.000	1	108.7147	0.002	3	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,5,6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]HH)(CH3)2{4|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.9140	0.051	2	108.9140	0.003	2	108.9140	0.003	2	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.8440	0.024	2	108.8440	0.001	2	108.8547	0.164	13	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1800	0.051	2	109.1330	0.008	3	108.8547	0.164	13	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0390	0.000	1	109.1330	0.008	3	108.8547	0.164	13	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(CH3)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.7740	0.731	4	108.7530	0.233	8	108.8547	0.164	13	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(CH3)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.7320	0.097	4	108.7530	0.233	8	108.8547	0.164	13	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]CC)(H)2	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]CC)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7895	0.030	4	108.8057	0.023	23	108.7374	0.117	109	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]CC)(H)2	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]CC)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2{3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8091	0.166	19	108.8057	0.023	23	108.7374	0.117	109	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9959	0.098	12	109.0132	0.020	24	108.7374	0.117	109	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2{2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0304	0.177	12	109.0132	0.020	24	108.7374	0.117	109	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]CC)(H)2	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]CC)(H)2{1|Fe<10>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(CH3)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.0895	0.005	2	108.0895	0.000	2	108.7374	0.117	109	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]CC)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{3|C<3>,4|C<4>}	H(C[6]C[6]2H)	108.0320	0.011	2	108.0320	0.000	2	108.7374	0.117	109	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	108.3525	0.013	2	108.3525	0.000	2	108.7374	0.117	109	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2{2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9535	0.021	2	108.9535	0.000	2	108.7374	0.117	109	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CH3)2{3|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.2798	0.117	4	108.2798	0.014	4	108.7374	0.117	109	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.3330	0.031	2	108.5073	0.090	26	108.7374	0.117	109	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.2713	0.136	7	108.5073	0.090	26	108.7374	0.117	109	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9302	0.121	5	108.5073	0.090	26	108.7374	0.117	109	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5855	0.012	2	108.5073	0.090	26	108.7374	0.117	109	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.8885	0.011	2	108.5073	0.090	26	108.7374	0.117	109	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.3050	0.080	5	108.5073	0.090	26	108.7374	0.117	109	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.3135	0.039	2	108.5073	0.090	26	108.7374	0.117	109	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8730	0.000	1	108.5073	0.090	26	108.7374	0.117	109	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CCHH)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CCHH)2{3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.0615	0.023	2	108.9577	0.033	3	108.7374	0.117	109	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CCHH)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CCHH)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7500	0.000	1	108.9577	0.033	3	108.7374	0.117	109	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CH3)2{2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2085	0.008	2	109.2085	0.000	2	108.7374	0.117	109	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)2{1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4780	0.734	2	109.4780	0.539	2	108.7374	0.117	109	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCHH)(CCHO)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCHH)(CCHO){3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7060	0.000	1	108.7060	0.000	1	108.7374	0.117	109	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|N<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.8790	0.047	2	108.9527	0.008	6	108.7374	0.117	109	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9895	0.085	4	108.9527	0.008	6	108.7374	0.117	109	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]O)(C[6]C[6]HH)(CCHH)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]O)(C[6]C[6]HH)(CCHH)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.5683	0.022	6	108.5683	0.000	6	108.7374	0.117	109	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HI)(H)2	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HI)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2{1|H<1>,1|I<1>,4|C<4>}	H(C[6]C[6]2H)	108.7425	0.030	2	108.7425	0.001	2	108.7374	0.117	109	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CC)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CC)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.4020	0.027	2	108.4020	0.001	2	108.7374	0.117	109	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:P-4:C-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CP)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(PC[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CP)(H)2{1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(PC[6]HH)(CH3){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6823	0.040	3	108.6823	0.002	3	108.6823	0.002	3	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:S-4:S-4:	C[6]-4:	C[6](C[6]C[5,6]SS)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]SS)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO)2{2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.4620	0.021	2	108.4620	0.000	2	108.4620	0.000	2	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5]C[5,6a]C[5]H)(C[5]C[5]2Fe)(C[6]C[6]HH)2	H(C[6]C[6]2H)	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Fe<10>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[5]C[5,6a]C[5]H)(C[5]C[5]2Fe)(C[6]C[6]HH)2{3|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6]2H)	108.8077	0.077	4	108.8077	0.006	4	108.7716	0.093	32	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5]C[5]2Mo)2(C[6]C[6]HH)2	H(C[6]C[6]2H)	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2{2|Mo<8>,4|H<1>,5|C<4>}	C[6](C[5]C[5]2Mo)2(C[6]C[6]HH)2{5|C<4>,8|H<1>}	H(C[6]C[6]2H)	108.9535	0.266	4	108.8671	0.047	8	108.7716	0.093	32	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5]C[5]2Mo)2(C[6]C[6]HH)2	H(C[6]C[6]2H)	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2{2|Mo<9>,4|H<1>,5|C<4>}	C[6](C[5]C[5]2Mo)2(C[6]C[6]HH)2{1|Ge<4>,5|C<4>,6|H<1>}	H(C[6]C[6]2H)	108.7807	0.135	4	108.8671	0.047	8	108.7716	0.093	32	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5]C[5]2W)2(C[6]C[6]HH)2	H(C[6]C[6]2H)	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2{2|W<8>,4|H<1>,5|C<4>}	C[6](C[5]C[5]2W)2(C[6]C[6]HH)2{5|C<4>,8|H<1>}	H(C[6]C[6]2H)	109.0203	0.588	4	108.8330	0.189	8	108.7716	0.093	32	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5]C[5]2W)2(C[6]C[6]HH)2	H(C[6]C[6]2H)	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2{2|W<9>,4|H<1>,5|C<4>}	C[6](C[5]C[5]2W)2(C[6]C[6]HH)2{1|Si<4>,5|C<4>,6|H<1>}	H(C[6]C[6]2H)	108.6457	0.032	4	108.8330	0.189	8	108.7716	0.093	32	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[5]C[5]N[5]Sm)2(C[6]C[6]HH)2	H(C[6]C[6]2H)	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2{2|Sm<15>,2|N<4>,3|C<4>,4|H<1>}	C[6](C[5]C[5]N[5]Sm)2(C[6]C[6]HH)2{5|C<4>,6|H<1>}	H(C[6]C[6]2H)	108.6548	0.294	12	108.6548	0.086	12	108.7716	0.093	32	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5]C[6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5]C[5,6]O[5]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5]C[5,6]O[5]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0020	0.042	2	109.0020	0.002	2	109.0309	2.001	28	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[5]C[5]2Ru)(C[6]C[6]HH)2(CC[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2{1|Ru<8>,3|C<4>,4|H<1>}	C[6](C[5]C[5]2Ru)(C[6]C[6]HH)2(CC[6]HH){3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.0113	0.242	3	109.0113	0.059	3	109.0309	2.001	28	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[5]C[5]2Ti)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2{1|Ti<12>,3|C<4>,4|H<1>}	C[6](C[5]C[5]2Ti)(C[6]C[6]HH)2(CCHH){3|C<4>,6|H<1>}	H(C[6]C[6]2H)	108.9790	0.162	4	108.9790	0.026	4	109.0309	2.001	28	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[5]C[5]2Zr)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2{1|Zr<12>,3|C<4>,4|H<1>}	C[6](C[5]C[5]2Zr)(C[6]C[6]HH)2(CCHH){3|C<4>,6|H<1>}	H(C[6]C[6]2H)	110.0383	3.990	4	110.0383	15.920	4	109.0309	2.001	28	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[5]C[5]2Zr)(C[6]C[6]HH)2(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2{1|Zr<13>,3|H<1>,4|C<4>}	C[6](C[5]C[5]2Zr)(C[6]C[6]HH)2(CH3){3|C<4>,6|H<1>}	H(C[6]C[6]2H)	108.5285	0.334	4	108.5285	0.111	4	109.0309	2.001	28	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(CCHH)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(CCHH){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	108.9376	0.128	7	108.9376	0.016	7	109.0309	2.001	28	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[5]C[5]O[5]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,2|S<2>,3|H<1>}	H(C[6]C[6]2H)	109.0065	0.016	2	109.0065	0.000	2	109.0309	2.001	28	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[5]O[5]2C)(C[6]C[6]HH)2(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,3|O<2>}	C[6](C[5]O[5]2C)(C[6]C[6]HH)2(CH3){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5340	0.021	2	108.5340	0.000	2	109.0309	2.001	28	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]B[5]H)(C[6]C[6,6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]B[5]H)(C[6]C[6,6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|B<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7950	0.000	1	108.7950	0.000	1	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[5a]HO)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[5a]HO)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7060	0.047	4	108.7060	0.002	4	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.9640	0.502	2	108.9640	0.252	2	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]BrH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]BrH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|Br<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8161	0.586	8	108.8161	0.343	8	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]ClH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]ClH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|Cl<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9093	1.309	6	109.0463	0.806	12	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]ClH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]ClH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|Cl<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1832	0.114	6	109.0463	0.806	12	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]FH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]FH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|F<1>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.8385	0.013	2	108.8385	0.000	2	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.0715	0.071	8	109.0417	0.008	10	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.9225	0.006	2	109.0417	0.008	10	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8306	0.053	7	108.9251	0.022	11	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0905	0.098	4	108.9251	0.022	11	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(CH3)2{1|O<1>,4|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.0075	0.019	2	109.0075	0.000	2	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CHHO)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,3|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7418	0.238	12	108.7418	0.057	12	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7080	0.013	2	109.0019	0.090	8	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0998	0.283	6	109.0019	0.090	8	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|Cr<9>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]HH)(CH3)2{3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2037	0.311	4	109.2037	0.096	4	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.8865	0.076	2	108.7281	0.059	318	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.8610	0.007	2	108.7281	0.059	318	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0270	0.167	4	108.7281	0.059	318	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.8236	0.066	8	108.7281	0.059	318	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5620	0.014	2	108.7281	0.059	318	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8503	0.140	4	108.7281	0.059	318	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.7560	0.000	1	108.7281	0.059	318	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0080	0.020	2	108.7281	0.059	318	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3182	0.052	5	108.7281	0.059	318	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.3245	0.404	6	108.7281	0.059	318	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9627	0.218	12	108.7281	0.059	318	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1063	0.084	7	108.7281	0.059	318	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.8785	0.008	2	108.7281	0.059	318	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8370	0.211	4	108.7281	0.059	318	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6968	0.222	4	108.7281	0.059	318	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9815	0.009	2	108.7281	0.059	318	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.6997	0.057	4	108.7281	0.059	318	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.6830	0.000	1	108.7281	0.059	318	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7305	0.139	59	108.7281	0.059	318	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6547	0.116	7	108.7281	0.059	318	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.5023	0.250	16	108.7281	0.059	318	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6987	0.150	16	108.7281	0.059	318	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.8510	0.007	2	108.7281	0.059	318	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6867	0.234	146	108.7281	0.059	318	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1923	0.056	4	108.7617	0.065	33	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6905	0.233	23	108.7617	0.065	33	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7275	0.035	2	108.7617	0.065	33	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7572	0.068	4	108.7617	0.065	33	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8443	0.173	11	108.8484	0.138	32	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8506	0.447	21	108.8484	0.138	32	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CN[5a]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CN[5a]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.4575	0.083	2	108.4575	0.007	2	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.2955	1.585	2	108.8951	0.446	17	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.6462	0.096	9	108.8951	0.446	17	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.8360	0.056	4	108.8951	0.446	17	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7330	0.052	2	108.8951	0.446	17	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HI)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HI)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|I<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1750	0.045	4	109.1750	0.002	4	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1420	0.018	2	109.1420	0.000	2	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5263	1.119	4	108.5345	0.752	6	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.5510	0.006	2	108.5345	0.752	6	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.9445	0.008	2	108.4257	0.309	4	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.9070	0.013	2	108.4257	0.309	4	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CC)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.6225	0.023	2	108.6225	0.001	2	108.7736	0.115	496	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]B[5]C[6]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]CC)(H)2{1|B<3>,1|C<4>,2|H<1>,3|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)2{1|B<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7665	0.011	2	108.7665	0.000	2	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(CH3)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9873	0.096	4	108.9873	0.009	4	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6801	0.168	10	108.6801	0.028	10	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]ClC)(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]ClC)(C[6]C[6]CC)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|Cl<1>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	107.8450	0.110	3	107.8450	0.012	3	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	107.0980	0.150	2	107.0980	0.022	2	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(CH3){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.3285	0.028	2	108.3285	0.001	2	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|C<2>,1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(CH3)2{2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.6365	0.037	2	108.6365	0.001	2	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	107.7427	0.066	3	107.7427	0.004	3	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6]HH)(CHHO)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6]HH)(CHHO){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	107.8995	0.057	2	107.8995	0.003	2	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(CH3){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.8480	0.011	2	108.8480	0.000	2	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHN)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHN)(CH3){1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	108.7370	0.656	2	108.7370	0.431	2	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.7710	0.000	1	108.7710	0.000	1	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6]C[6]CC)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	108.5040	3.660	2	108.5040	13.395	2	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.1555	0.416	2	109.1555	0.173	2	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CHHN)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CHHN)(CH3){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.0430	0.013	2	109.0430	0.000	2	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CC)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CC)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	108.8147	0.105	3	108.8147	0.011	3	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(CH3){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.6643	0.073	6	108.6643	0.005	6	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[5]HO)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[5]HO)(CH3){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5070	0.047	8	108.5070	0.002	8	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]HO)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]HO)(CH3){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6620	0.010	2	108.6620	0.000	2	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CFHH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CFHH)(CH3){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.8868	0.308	4	107.8868	0.095	4	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9590	0.035	3	108.9590	0.001	3	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(CH3){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.4220	0.661	4	108.4220	0.437	4	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(CH3){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1295	0.046	4	109.1018	0.003	6	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0465	0.011	2	109.1018	0.003	6	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHO)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHO)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6285	0.016	2	110.2430	4.185	4	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHO)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHO)(CH3){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	111.8575	1.459	2	110.2430	4.185	4	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0245	0.006	2	108.9342	0.244	77	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8495	0.797	28	108.9342	0.244	77	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9073	0.100	14	108.9342	0.244	77	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0662	0.128	5	108.9342	0.244	77	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9593	0.151	11	108.9342	0.244	77	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0300	0.179	17	108.9342	0.244	77	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHHO)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHHO)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7350	0.011	2	108.7350	0.000	2	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9755	0.032	2	108.9123	0.006	4	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8490	0.027	2	108.9123	0.006	4	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5910	0.041	2	108.5910	0.002	2	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2163	0.064	4	109.2163	0.004	4	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|Br<1>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.3355	0.006	2	109.3355	0.000	2	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.7865	0.021	2	107.7865	0.000	2	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|F<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.4865	0.049	2	108.4865	0.002	2	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.7620	0.007	2	107.7620	0.000	2	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.7900	0.236	2	108.5393	0.228	6	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.4140	0.546	4	108.5393	0.228	6	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CN)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CN)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	107.5190	0.119	2	107.5190	0.014	2	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(H)2{1|C<4>,1|S<3>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.8980	1.410	2	108.7028	1.258	6	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|Br<1>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.1670	0.016	2	108.7028	1.258	6	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|Cl<1>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.0435	0.037	2	108.7028	1.258	6	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	108.7310	0.025	2	109.3773	2.339	6	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7005	1.865	4	109.3773	2.339	6	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1075	0.018	2	109.2375	0.018	6	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3025	0.113	4	109.2375	0.018	6	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6]2H)	108.6350	0.006	2	108.6350	0.000	2	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9415	0.006	2	108.9614	0.101	8	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9680	0.376	6	108.9614	0.101	8	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1130	0.000	1	109.1130	0.000	1	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5828	0.208	5	108.6722	0.041	9	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6610	0.016	2	108.6722	0.041	9	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.9070	0.031	2	108.6722	0.041	9	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHO)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHO)(CH3){1|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.7460	0.006	2	108.7460	0.000	2	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(CH3){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.8820	0.021	2	108.8820	0.000	2	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0210	0.035	2	108.8070	0.026	7	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6380	0.004	2	108.8070	0.026	7	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8200	0.000	1	108.8070	0.026	7	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.7555	0.030	2	108.8070	0.026	7	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9300	0.004	2	108.9300	0.000	2	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)2{1|Cl<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9620	0.020	2	108.9620	0.000	2	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0220	0.027	2	109.0220	0.001	2	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(CHHO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(CHHO){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7895	0.026	2	108.7895	0.001	2	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9303	0.039	4	108.9303	0.002	4	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.8305	2.938	2	108.3233	5.045	3	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3090	0.000	1	108.3233	5.045	3	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	109.1128	0.046	4	109.1128	0.002	4	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN)(CH3){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	108.7650	0.000	1	108.7650	0.000	1	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCHH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCHH)(CH3){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2890	0.000	1	109.2890	0.000	1	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)2{1|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.8170	0.020	2	108.8170	0.000	2	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.4475	0.009	2	108.6197	0.039	6	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(CH3){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7057	0.188	4	108.6197	0.039	6	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(CHHN)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(CHHN){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6735	0.664	140	108.6735	0.441	140	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHH)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CCHH)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7285	1.156	12	108.7285	1.336	12	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CFFH)(CFHH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(CFFH)(CFHH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.5252	0.726	4	110.5252	0.527	4	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CFHH)(CF3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(CFHH)(CF3){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2968	1.284	4	109.2968	1.649	4	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.3060	1.894	2	108.1898	1.548	5	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.7790	0.020	3	108.1898	1.548	5	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.7858	0.124	4	108.7858	0.015	4	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.1155	0.015	2	109.1155	0.000	2	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|H<1>,1|N<2>,3|C<4>}	H(C[6]C[6]2H)	108.1777	2.300	6	108.7462	2.377	23	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	109.2094	1.362	11	108.7462	2.377	23	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|H<1>,1|N<4>,3|C<4>}	H(C[6]C[6]2H)	108.4655	0.710	6	108.7462	2.377	23	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(CHHN)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CHHN)(CH3){1|H<1>,1|N<2>,3|C<4>}	H(C[6]C[6]2H)	109.1373	2.370	6	109.4164	3.957	24	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(CHHN)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CHHN)(CH3){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	109.1456	2.203	12	109.4164	3.957	24	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2	C[6](C[6]C[6]HH)2(CHHN)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CHHN)(CH3){1|H<1>,1|N<4>,3|C<4>}	H(C[6]C[6]2H)	110.2370	0.911	6	109.4164	3.957	24	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	108.9340	0.119	3	108.9340	0.014	3	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	108.9490	0.045	4	108.9490	0.002	4	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9520	0.033	2	108.9520	0.001	2	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.1488	0.048	6	108.7994	1.539	8	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.7510	0.776	2	108.7994	1.539	8	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CH3)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	H(C[6]C[6]2H)	108.2910	0.051	4	108.2910	0.003	4	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	H(C[6]C[6]2H)	109.1490	0.020	2	109.1490	0.000	2	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	H(C[6]C[6]2H)	109.2315	0.009	2	109.2315	0.000	2	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	107.7145	0.062	2	107.7145	0.004	2	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]O[6]CH)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.8590	0.024	2	108.8590	0.001	2	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]O[6]CH)(H)2	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(CH3)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.1780	0.027	2	109.1780	0.001	2	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]O[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(CH3){1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.0885	0.103	4	109.0885	0.011	4	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)2(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHI)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)2(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHI)(CH3){1|C<4>,4|C<3>}	H(C[6]C[6]2H)	108.2885	0.033	2	108.2885	0.001	2	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)2(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	106.6545	1.353	4	106.8427	1.193	6	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)2(H)2{1|C<4>,1|S<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	107.2190	0.212	2	106.8427	1.193	6	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)2(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)2(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.2407	2.041	4	108.2017	2.724	30	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)2(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)2(H)2{1|C<4>,1|S<3>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	107.7970	1.795	2	108.2017	2.724	30	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)2(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|H<1>,1|N<2>,3|C<4>}	H(C[6]C[6]2H)	108.1998	0.873	6	108.2017	2.724	30	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)2(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	107.9135	2.061	12	108.2017	2.724	30	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)2(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|H<1>,1|N<4>,3|C<4>}	H(C[6]C[6]2H)	108.8888	1.310	6	108.2017	2.724	30	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)2(H)2	C[6](C[6]C[6]HH)2(CHHN)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CHHN)(CH3){1|H<1>,1|N<2>,3|C<4>}	H(C[6]C[6]2H)	107.0562	3.142	6	107.7516	4.531	24	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)2(H)2	C[6](C[6]C[6]HH)2(CHHN)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CHHN)(CH3){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	108.1889	1.874	12	107.7516	4.531	24	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)2(H)2	C[6](C[6]C[6]HH)2(CHHN)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CHHN)(CH3){1|H<1>,1|N<4>,3|C<4>}	H(C[6]C[6]2H)	107.5725	1.473	6	107.7516	4.531	24	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)2(H)2	C[6](C[6]N[6]ClH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)2(H)2{1|Cl<1>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]ClH)(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.5440	0.037	2	108.5440	0.001	2	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]C[6]CC)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|Cl<1>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.2755	0.011	2	109.2755	0.000	2	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]FeH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]FeH)(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(CH3)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2940	0.014	2	109.2165	0.008	4	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]FeH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]FeH)(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(CH3)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.1390	0.011	2	109.2165	0.008	4	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]FeO)(C[6]C[6]CC)(H)2	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]FeO)(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(CH3)2{1|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.6325	0.018	2	109.6325	0.000	2	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]RuC)(C[6]C[6]CC)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]RuC)(C[6]C[6]CC)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|Ru<10>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	107.3185	1.156	2	107.3185	1.337	2	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CC)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CC)(H)2{3|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<4>,1|N<2>,2|C<3>}	H(C[6]C[6]2H)	108.0825	0.011	2	108.0825	0.000	2	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CC)(H)2	C[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CC)(H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.7620	1.889	4	108.7620	3.566	4	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2H)	108.8220	0.007	2	108.8220	0.000	2	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]N[5a,6]CO)(C[6]C[6]CC)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]CO)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2{1|C<4>,1|N<2>,1|N<3>,1|O<2>}	H(C[6]C[6]2H)	108.6780	0.506	2	108.6780	0.256	2	108.7049	1.103	601	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:N-4:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(NCHH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(NCHH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	107.2119	1.724	7	107.2119	2.972	7	108.2801	2.404	20	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:N-4:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(NH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CCHH)(NH3){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7309	1.577	7	108.7309	2.486	7	108.2801	2.404	20	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:N-4:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CNdOO)(NH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CNdOO)(NH3){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0003	0.286	6	109.0003	0.082	6	108.2801	2.404	20	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]2C)(H)2	C[6](C[6]C[3,6]CH)(C[6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]2C)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]2H)(C[6]C[6]HH)(CH3){2|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	108.6865	0.015	2	108.6865	0.000	2	108.4493	0.170	8	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]2C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]2C)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	107.8360	0.011	2	107.8360	0.000	2	108.4493	0.170	8	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]2C)(H)2	C[6](C[6]C[6,6]HN)(C[6]C[6]2C)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]2C)(H)2{1|C<3>,1|H<1>,1|N<3>,5|C<4>}	C[6](C[6]C[6,6]HN)(C[6]C[6]2C)(C[6]C[6]HH)(CH3){5|C<4>,6|H<1>}	H(C[6]C[6]2H)	108.4240	0.024	2	108.4240	0.001	2	108.4493	0.170	8	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|N<3>,5|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.8505	0.018	2	108.8505	0.000	2	108.4493	0.170	8	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]N[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]HH)(CH3){1|C<3>,2|C<4>,8|H<1>}	H(C[6]C[6]2H)	107.2005	0.678	2	107.2005	0.460	2	107.2005	0.460	2	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:C-4:	C[6]-4:	C[6](C[6]C[6]CP)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(PC[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CP)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]HH)(CH3){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0343	0.286	7	109.0343	0.082	7	108.3490	0.742	21	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:C-4:	C[6]-4:	C[6](C[6]C[6]CP)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(PC[6a]2B)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CP)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6a]2B)(CH3){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0320	0.040	3	109.0320	0.002	3	108.3490	0.742	21	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:C-4:	C[6]-4:	C[6](C[6]C[6]CP)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(PC[6a]2O)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CP)(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6a]2O)(CH3){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.2020	0.033	2	109.2020	0.001	2	108.3490	0.742	21	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:C-4:	C[6]-4:	C[6](C[6]C[6]CP)2(H)2	C[6](C[6]C[6]HH)2(PC[6a]2Mo)(CHHO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CP)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6a]2Mo)(CHHO){2|P<4>,3|C<4>}	H(C[6]C[6]2H)	107.3987	0.098	9	107.3987	0.010	9	108.3490	0.742	21	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:C-4:	C[6]-4:	C[6](C[6]C[6]CS)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(SC[6a]OO)(CCHO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(SC[6a]OO)(CCHO){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2747	0.099	4	109.2747	0.010	4	109.2747	0.010	4	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:S-4:	C[6]-4:	C[6](C[6]C[5]O[6]H)(C[6]C[6]SS)(H)2	C[6](C[6]C[6]HH)2(SC[6a]OO)2	H(C[6]C[6]2H)	C[6](C[6]C[5]O[6]H)(C[6]C[6]SS)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(SC[6a]OO)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4685	0.025	2	109.4685	0.001	2	108.7108	0.495	10	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:S-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]SS)(H)2	C[6](C[6]C[6]HH)2(SC[6a]OO)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]SS)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(SC[6a]OO)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.1120	0.027	2	108.1120	0.001	2	108.7108	0.495	10	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]SS)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SCOO)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]SS)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SCOO)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.1285	0.006	2	109.1285	0.000	2	108.7108	0.495	10	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]SS)(H)2	C[6](C[6]C[6]HH)2(SC[6a]OO)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]SS)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(SC[6a]OO)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1120	0.066	2	109.1120	0.004	2	108.7108	0.495	10	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:S-4:	C[6]-4:	C[6](C[6]C[6]SS)(C[6]O[6]CH)(H)2	C[6](C[6]C[6]HH)2(SC[6a]OO)2	H(C[6]C[6]2H)	C[6](C[6]C[6]SS)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(SC[6a]OO)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	107.7330	0.007	2	107.7330	0.000	2	108.7108	0.495	10	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.7171	0.175	13	108.5591	0.397	64	108.6152	0.532	208	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.5188	0.696	51	108.5591	0.397	64	108.6152	0.532	208	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.6907	0.659	58	108.6907	0.434	58	108.6152	0.532	208	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.3491	0.934	55	108.3491	0.873	55	108.6152	0.532	208	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	108.9573	0.196	7	109.1808	0.100	19	108.6152	0.532	208	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2{1|H<1>,1|N<4>,3|C<4>}	H(C[6]C[6]2H)	109.3112	0.303	12	109.1808	0.100	19	108.6152	0.532	208	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.8733	0.144	12	108.8733	0.021	12	108.6152	0.532	208	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]S[6]CC)(H)2	C[6](C[6]C[6]HH)(S[6]N[6]OO)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]S[6]CC)(H)2{1|C<3>,1|N<2>,2|O<1>}	C[6](C[6]C[6]HH)(S[6]N[6]OO)(CH3)2{1|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.8700	0.006	2	108.8700	0.000	2	108.8700	0.000	2	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[3,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]N[3,6]CC)(C[6]C[6]HH)(H)2	C[6](N[3,6]C[3]2C[6])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]N[3,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](N[3,6]C[3]2C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6350	0.106	7	108.6350	0.011	7	108.6350	0.011	7	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]N[5,6]CC)(C[6]C[6]HO)(H)2	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]N[5,6]CC)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.3565	0.185	4	108.3565	0.034	4	108.3565	0.034	4	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]N[6,6]CC)(C[6]N[6,6]CH)(H)2	C[6](N[6,6]C[3x6]C[6]Cu)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]N[6,6]CC)(C[6]N[6,6]CH)(H)2{1|Cu<6>,1|C<5>,2|C<4>}	C[6](N[6,6]C[3x6]C[6]Cu)(C[6]C[6]HH)(CH3)2{1|N<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.3640	0.000	1	108.3640	0.000	1	108.3640	0.000	1	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](N[6]C[6]AlLi)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Al<4>,1|Li<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6]AlLi)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.7608	0.329	8	108.8216	0.051	36	108.8121	0.257	224	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](N[6]C[6]AlLi)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Al<4>,1|Li<4>,1|C<4>,2|H<1>}	C[6](N[6]C[6]AlLi)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.8390	0.191	28	108.8216	0.051	36	108.8121	0.257	224	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](N[6]C[6]Cu2)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{2|Cu<2>,1|C<4>,2|H<1>}	C[6](N[6]C[6]Cu2)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9760	0.138	12	108.9760	0.019	12	108.8121	0.257	224	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](N[6]C[6]CuLi)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Cu<2>,1|Li<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6]CuLi)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0157	0.095	26	109.0159	0.008	29	108.8121	0.257	224	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](N[6]C[6]CuLi)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Cu<2>,1|Li<7>,1|C<4>,2|H<1>}	C[6](N[6]C[6]CuLi)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0173	0.017	3	109.0159	0.008	29	108.8121	0.257	224	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](N[6]C[6]LiH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Li<3>,1|C<4>,3|H<1>}	C[6](N[6]C[6]LiH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0198	0.138	11	108.9520	0.035	41	108.8121	0.257	224	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](N[6]C[6]LiH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Li<4>,1|C<4>,3|H<1>}	C[6](N[6]C[6]LiH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9172	0.211	22	108.9520	0.035	41	108.8121	0.257	224	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](N[6]C[6]LiH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Li<5>,1|C<4>,3|H<1>}	C[6](N[6]C[6]LiH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9548	0.160	8	108.9520	0.035	41	108.8121	0.257	224	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](N[6]C[6]LiO)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Li<4>,1|C<4>,1|O<3>,2|H<1>}	C[6](N[6]C[6]LiO)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9293	0.048	6	108.9293	0.002	6	108.8121	0.257	224	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](N[6]C[6]LiZn)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Li<3>,1|Zn<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6]LiZn)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0712	0.030	4	109.0364	0.009	17	108.8121	0.257	224	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](N[6]C[6]LiZn)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Li<4>,1|Zn<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6]LiZn)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0847	0.081	4	109.0364	0.009	17	108.8121	0.257	224	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](N[6]C[6]LiZn)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Li<5>,1|Zn<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6]LiZn)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9994	0.111	9	109.0364	0.009	17	108.8121	0.257	224	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](N[6]C[6]Mg2)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{2|Mg<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6]Mg2)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0203	0.033	4	109.0203	0.001	4	108.8121	0.257	224	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](N[6]C[6]NiO)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Ni<4>,1|C<4>,1|O<2>,2|H<1>}	C[6](N[6]C[6]NiO)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.3642	1.063	38	108.3642	1.129	38	108.8121	0.257	224	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](N[6]C[6]SiH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Si<5>,1|C<4>,3|H<1>}	C[6](N[6]C[6]SiH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.6830	0.170	4	108.6830	0.029	4	108.8121	0.257	224	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](N[6]C[6]SmO)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Sm<10>,1|C<4>,1|O<2>,2|H<1>}	C[6](N[6]C[6]SmO)(C[6]C[6]HH)(CH3)2{1|C<5>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9760	0.034	2	108.9760	0.001	2	108.8121	0.257	224	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.7318	0.098	32	108.7318	0.010	32	108.8121	0.257	224	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	C[6](N[6]C[6]CuH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|Cu<4>,1|C<4>,3|H<1>}	C[6](N[6]C[6]CuH)(C[6]C[6]HH)(CH3)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	108.9710	0.032	3	108.9710	0.001	3	108.8121	0.257	224	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CP)(C[6]C[6]HH)(H)2	C[6](PC[6a]C[6]Au)(C[6]C[6]HH)2(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CP)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](PC[6a]C[6]Au)(C[6]C[6]HH)2(CH3){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1187	0.097	6	109.1187	0.010	6	109.1187	0.010	6	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]P[6]CC)(H)2	C[6](P[6]C[6a]P[6]S)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]P[6]CC)(H)2{1|C<3>,1|P<4>,1|S<1>,2|C<4>}	C[6](P[6]C[6a]P[6]S)(C[6]C[6]HH)(CH3)2{1|C<4>,1|S<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	107.1308	3.857	4	107.1308	14.879	4	107.1308	14.879	4	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	Si[6]-4:C[6]-4:Si-4:Si-4:	C[6]-4:	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2	C[6](Si[6]C[6a]Si[6]Pd)(C[6]C[6]HH)(SiC3)2	H(C[6]C[6]2H)	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2{1|Pd<3>,3|Si<4>,1|C<3>}	C[6](Si[6]C[6a]Si[6]Pd)(C[6]C[6]HH)(SiC3)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	107.6010	0.087	3	107.6010	0.008	3	107.6010	0.008	3	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)(I)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HI)(CH3)2	H(C[6]C[6]2I)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)(I){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HI)(CH3)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2I)	107.2065	0.135	2	106.9965	0.065	4	106.9965	0.065	4	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)(I)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HI)(CH3)2	H(C[6]C[6]2I)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)(I){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HI)(CH3)2{4|C<4>,4|H<1>}	H(C[6]C[6]2I)	106.7865	0.019	2	106.9965	0.065	4	106.9965	0.065	4	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)(I)	C[6](C[6]C[6]CH)(C[6]C[6]HI)(CH3)2	H(C[6]C[6]2I)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)(I){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HI)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2I)	106.7020	0.000	1	106.7020	0.000	1	106.7020	0.000	1	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)(O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	107.0660	0.000	1	106.6615	0.327	2	106.6615	0.327	2	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)(O){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	106.2570	0.000	1	106.6615	0.327	2	106.6615	0.327	2	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](N[6]C[6]ReH)(C[6]C[6]CC)(H)2	C[6](C[6]N[6]HH)2(CH3)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]ReH)(C[6]C[6]CC)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)2(CH3)2{1|Re<6>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.2775	0.009	2	109.2775	0.000	2	109.2775	0.000	2	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](P[6]C[6a]2B[6])(C[6]C[6]CC)(H)2	C[6](C[6]P[6]HH)2(CHHP)(CH3)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]2B[6])(C[6]C[6]CC)(H)2{1|P<4>,4|C<3>,4|H<1>}	C[6](C[6]P[6]HH)2(CHHP)(CH3){1|B<4>,4|C<3>}	H(C[6]C[6]P[6]H)	107.5247	1.115	8	107.5247	1.243	8	107.5247	1.243	8	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:4:4:	4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si[6]-4:C-4:C-4:	C[6]-4:	C[6](Si[6]C[6]SiH)(C[6]Si[6]CC)(H)2	C[6](C[6]Si[6]HH)(Si[6]C[6]CC)(CH3)2	H(C[6]Si[6]C[6]H)	C[6](Si[6]C[6]SiH)(C[6]Si[6]CC)(H)2{1|C<3>,3|C<4>}	C[6](C[6]Si[6]HH)(Si[6]C[6]CC)(CH3)2{1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]Si[6]C[6]H)	108.4950	0.011	2	108.4950	0.000	2	108.4950	0.000	2	108.6731	0.622	2148	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:5:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-5:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[5]Fe2C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[5]Fe2C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4250	0.157	4	109.4250	0.025	4	109.4315	0.091	158	109.4085	0.086	179	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:5:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-5:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]2DyO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2DyO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5170	0.198	48	109.5170	0.039	48	109.4315	0.091	158	109.4085	0.086	179	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:5:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-5:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]2GdO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2GdO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4974	0.265	32	109.4974	0.070	32	109.4315	0.091	158	109.4085	0.086	179	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:5:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-5:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]2LaO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2LaO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2831	0.405	28	109.2831	0.164	28	109.4315	0.091	158	109.4085	0.086	179	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:5:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-5:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]2NU)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2NU)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4792	0.106	22	109.4792	0.011	22	109.4315	0.091	158	109.4085	0.086	179	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:5:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-5:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)2(PC[6]2PrO)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2PrO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3032	0.414	24	109.3032	0.171	24	109.4315	0.091	158	109.4085	0.086	179	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:5:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Si-5:H-1:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(SiHfHHN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(SiHfHHN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1875	0.097	8	109.1875	0.009	8	109.2355	0.017	21	109.4085	0.086	179	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:5:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Si-5:H-1:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(SiTiO3)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(SiTiO3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2650	0.140	13	109.2650	0.020	13	109.2355	0.017	21	109.4085	0.086	179	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:5:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-5:N-4:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(CNd2OO)(NH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CNd2OO)(NH3){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0470	0.046	3	109.0470	0.002	3	109.0470	0.002	3	108.9958	0.007	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:5:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C-5:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C[6](N[6]C[6]SmO)(C[6]C[6]HH)(CSmH3)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Sm<10>,1|C<4>,1|O<2>,2|H<1>}	C[6](N[6]C[6]SmO)(C[6]C[6]HH)(CSmH3)(CH3){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9190	0.061	2	108.9190	0.004	2	108.9190	0.004	2	108.9958	0.007	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	4:4:6:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Si-6:H-1:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(SiHf2HNN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(SiHf2HNN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3487	0.033	3	109.3487	0.001	3	109.3487	0.001	3	109.3487	0.001	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	5:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	B[6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2	C[6](B[6]C[6]ZrHH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2{1|Zr<14>,1|C<4>,2|H<1>,2|H<2>}	C[6](B[6]C[6]ZrHH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1499	0.090	9	109.1499	0.008	9	109.1499	0.008	9	109.2439	0.193	154	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	5:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,3,3x5,11x6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,3,3x5,11x6]HH)(C[6]C[6]HH)(H)2	C[6](C[3,3,3x5,11x6]B[3x3,3x5,8x6]B[3x3,3x5,9x6]B[5x3,5,5,8x6]B[5,5,6x6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,3,3x5,11x6]HH)(C[6]C[6]HH)(H)2{1|B<3>,1|B<4>,1|B<6>,1|H<1>,2|B<5>}	C[6](C[3,3,3x5,11x6]B[3x3,3x5,8x6]B[3x3,3x5,9x6]B[5x3,5,5,8x6]B[5,5,6x6])(C[6]C[6]HH)(H)2{1|C<4>,2|B<6>,3|B<5>,5|H<1>}	H(C[6]C[6]2H)	109.6370	0.023	2	109.6370	0.001	2	109.6370	0.001	2	109.2439	0.193	154	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	5:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,3,4,3x5,14x6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,3,4,3x5,14x6]HH)(C[6]C[6]HH)(H)2	C[6](C[3,3,4,3x5,14x6]B[3x3,4,5,5,8x6]B[3x3,3x5,12x6]B[3,4,5,5,9x6]B[5x3,3x5,8x6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,3,4,3x5,14x6]HH)(C[6]C[6]HH)(H)2{1|B<6>,1|H<1>,2|B<4>,2|B<5>}	C[6](C[3,3,4,3x5,14x6]B[3x3,4,5,5,8x6]B[3x3,3x5,12x6]B[3,4,5,5,9x6]B[5x3,3x5,8x6])(C[6]C[6]HH)(H)2{1|C<4>,2|B<5>,3|B<6>,5|H<1>}	H(C[6]C[6]2H)	109.4770	0.028	2	109.4770	0.001	2	109.4770	0.001	2	109.2439	0.193	154	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	5:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,3,4,5,10x6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,3,4,5,10x6]HH)(C[6]C[6]HH)(H)2	C[6](C[3,3,4,5,10x6]B[4x3,4,3x5,13x6]C[3x3,5,5,12x6]B[5x3,5,5,8x6]B[3,4,4x6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3,3,4,5,10x6]HH)(C[6]C[6]HH)(H)2{1|B<4>,1|C<5>,2|B<6>,2|H<1>}	C[6](C[3,3,4,5,10x6]B[4x3,4,3x5,13x6]C[3x3,5,5,12x6]B[5x3,5,5,8x6]B[3,4,4x6])(C[6]C[6]HH)(H)2{1|C<4>,2|B<5>,4|B<6>,5|H<1>}	H(C[6]C[6]2H)	109.0485	0.008	2	109.0485	0.000	2	109.0485	0.000	2	109.2439	0.193	154	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	5:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x3,3x5,13x6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x3,3x5,13x6]HH)(C[6]C[6]HH)(H)2	C[6](C[3x3,3x5,13x6]B[4x3,3x5,12x6]B[4x3,3x5,13x6]B[5x3,3x5,11x6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x3,3x5,13x6]HH)(C[6]C[6]HH)(H)2{1|B<3>,1|H<1>,4|B<6>}	C[6](C[3x3,3x5,13x6]B[4x3,3x5,12x6]B[4x3,3x5,13x6]B[5x3,3x5,11x6]2)(C[6]C[6]HH)(H)2{1|C<4>,2|H<2>,5|B<6>,5|H<1>}	H(C[6]C[6]2H)	109.1035	0.018	2	109.1035	0.000	2	109.1035	0.000	2	109.2439	0.193	154	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	5:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x3,3x5,14x6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x3,3x5,14x6]HH)(C[6]C[5,3x6]HH)(H)2	C[6](C[3x3,3x5,14x6]B[3x3,3x5,13x6]B[3x3,4x5,15x6]B[5x3,3x5,11x6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x3,3x5,14x6]HH)(C[6]C[5,3x6]HH)(H)2{1|B<3>,1|B<5>,1|H<1>,3|B<6>}	C[6](C[3x3,3x5,14x6]B[3x3,3x5,13x6]B[3x3,4x5,15x6]B[5x3,3x5,11x6]2)(C[6]C[6]HH)(H)2{1|B<5>,1|C<4>,4|B<6>,6|H<1>}	H(C[6]C[6]2H)	109.5670	0.107	2	109.5670	0.012	2	109.5670	0.012	2	109.2439	0.193	154	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	5:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x3,5,5,12x6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x3,5,5,12x6]HH)(C[6]C[6]HH)(H)2	C[6](C[3x3,5,5,12x6]B[3x3,5,5,13x6]B[5x3,3x5,5x6]B[5x3,5,5,8x6]C[3x3,5,9x6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x3,5,5,12x6]HH)(C[6]C[6]HH)(H)2{1|B<5>,1|C<5>,2|B<6>,2|H<1>}	C[6](C[3x3,5,5,12x6]B[3x3,5,5,13x6]B[5x3,3x5,5x6]B[5x3,5,5,8x6]C[3x3,5,9x6])(C[6]C[6]HH)(H)2{1|B<5>,1|B<7>,1|C<4>,3|B<6>,5|H<1>}	H(C[6]C[6]2H)	108.6670	0.028	2	108.6670	0.001	2	108.9895	0.139	4	109.2439	0.193	154	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	5:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x3,5,5,12x6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x3,5,5,12x6]HH)(C[6]C[6]HH)(H)2	C[6](C[3x3,5,5,12x6]B[3x3,5,5,13x6]C[3,3,4,5,10x6]B[5x3,3x5,5x6]B[5x3,5,5,8x6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x3,5,5,12x6]HH)(C[6]C[6]HH)(H)2{1|B<5>,1|C<5>,2|B<6>,2|H<1>}	C[6](C[3x3,5,5,12x6]B[3x3,5,5,13x6]C[3,3,4,5,10x6]B[5x3,3x5,5x6]B[5x3,5,5,8x6])(C[6]C[6]HH)(H)2{1|B<4>,1|C<4>,4|B<6>,5|H<1>}	H(C[6]C[6]2H)	109.3120	0.030	2	109.3120	0.001	2	108.9895	0.139	4	109.2439	0.193	154	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	5:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x3,5,9x6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x3,5,9x6]HH)(C[6]C[6]HH)(H)2	C[6](C[3x3,5,9x6]B[6x3,4x5,13x6]C[3x3,5,5,12x6]B[5x3,5,5,8x6]B[3x3,5,4x6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[3x3,5,9x6]HH)(C[6]C[6]HH)(H)2{1|B<5>,1|B<6>,1|B<7>,1|C<5>,2|H<1>}	C[6](C[3x3,5,9x6]B[6x3,4x5,13x6]C[3x3,5,5,12x6]B[5x3,5,5,8x6]B[3x3,5,4x6])(C[6]C[6]HH)(H)2{1|C<4>,2|B<5>,4|B<6>,5|H<1>}	H(C[6]C[6]2H)	109.6500	0.047	2	109.6500	0.002	2	109.6500	0.002	2	109.2439	0.193	154	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	5:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]EuH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|Eu<12>,1|B<5>,1|H<1>,1|H<2>,2|C<4>}	C[6](C[6,6]B[6,6]C[6]EuH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<2>,4|H<1>}	H(C[6]C[6]2H)	108.7773	0.034	4	108.7773	0.001	4	108.5748	0.067	33	109.2439	0.193	154	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	5:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]RaH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|Ra<20>,1|B<5>,1|H<1>,1|H<2>,2|C<4>}	C[6](C[6,6]B[6,6]C[6]RaH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<2>,4|H<1>}	H(C[6]C[6]2H)	108.5294	0.439	8	108.5294	0.193	8	108.5748	0.067	33	109.2439	0.193	154	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	5:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]TiH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|Ti<12>,1|B<5>,1|H<1>,1|H<2>,2|C<4>}	C[6](C[6,6]B[6,6]C[6]TiH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<2>,4|H<1>}	H(C[6]C[6]2H)	108.5307	0.229	10	108.5229	0.032	17	108.5748	0.067	33	109.2439	0.193	154	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	5:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]TiH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|Ti<13>,1|B<5>,1|H<1>,1|H<2>,2|C<4>}	C[6](C[6,6]B[6,6]C[6]TiH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<2>,4|H<1>}	H(C[6]C[6]2H)	108.5119	0.081	7	108.5229	0.032	17	108.5748	0.067	33	109.2439	0.193	154	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	5:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]B[6,6]C[6]ZrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|Zr<14>,1|B<5>,1|H<1>,1|H<2>,2|C<4>}	C[6](C[6,6]B[6,6]C[6]ZrH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<2>,4|H<1>}	H(C[6]C[6]2H)	108.6833	0.049	4	108.6833	0.002	4	108.5748	0.067	33	109.2439	0.193	154	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	5:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]TiCO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Ti<11>,1|C<4>,1|C<5>,1|O<2>,2|H<1>}	C[6](C[6]C[6]TiCO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5220	0.132	4	109.5220	0.017	4	109.4869	0.051	94	109.2439	0.193	154	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	5:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]COU)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|U<17>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]COU)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3042	0.224	4	109.3042	0.050	4	109.4869	0.051	94	109.2439	0.193	154	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	5:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CeHN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Ce<16>,1|C<4>,1|H<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CeHN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4156	0.160	12	109.3520	0.032	21	109.4869	0.051	94	109.2439	0.193	154	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	5:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CeHN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Ce<16>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CeHN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2671	0.175	9	109.3520	0.032	21	109.4869	0.051	94	109.2439	0.193	154	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	5:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HHU)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|U<17>,1|C<5>,1|H<2>,3|H<1>}	C[6](C[6]C[6]HHU)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3065	0.069	2	109.3065	0.005	2	109.4869	0.051	94	109.2439	0.193	154	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	5:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HNU)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|U<17>,1|C<5>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HNU)(C[6]C[6]HH)(H)2{1|C<4>,1|H<2>,3|H<1>}	H(C[6]C[6]2H)	109.5405	0.043	2	109.5405	0.002	2	109.4869	0.051	94	109.2439	0.193	154	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	5:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]Li2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|Li<5>,2|C<5>,2|H<1>}	C[6](C[6]C[6]Li2C)(C[6]C[6]HH)(H)2{1|C<4>,1|C<5>,2|H<1>}	H(C[6]C[6]2H)	109.4789	0.124	15	109.4789	0.015	15	109.4869	0.051	94	109.2439	0.193	154	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	5:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]NiCO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Ni<5>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]NiCO)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.9585	0.040	2	109.9585	0.002	2	109.4869	0.051	94	109.2439	0.193	154	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	5:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]TaHN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Ta<12>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]TaHN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6050	0.025	2	109.6050	0.001	2	109.4869	0.051	94	109.2439	0.193	154	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	5:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]TiHN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Ti<10>,1|C<4>,1|H<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]TiHN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3135	0.071	4	109.3774	0.009	7	109.4869	0.051	94	109.2439	0.193	154	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	5:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]TiHN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Ti<13>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]TiHN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4627	0.030	3	109.3774	0.009	7	109.4869	0.051	94	109.2439	0.193	154	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	5:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]ZrHN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Zr<12>,1|C<5>,1|N<3>,3|H<1>}	C[6](C[6]C[6]ZrHN)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.2562	0.087	6	109.3091	0.009	14	109.4869	0.051	94	109.2439	0.193	154	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	5:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]ZrHN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Zr<13>,1|C<4>,1|H<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]ZrHN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3487	0.087	8	109.3091	0.009	14	109.4869	0.051	94	109.2439	0.193	154	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	5:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HHU)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|U<18>,1|N<3>,4|H<1>}	C[6](C[6]N[6]HHU)(C[6]C[6]HH)(H)2{1|C<5>,2|H<1>}	H(C[6]C[6]2H)	109.7668	0.122	21	109.7668	0.015	21	109.4869	0.051	94	109.2439	0.193	154	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	5:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[3x3,4x5,14x6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x3,4x5,14x6]HH)(N[6]Ga[3,3,5,5,7x6]CC)(H)2	C[6](C[3x3,4x5,14x6]B[4x3,5x5,19x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]C[3x3,4x5,13x6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[3x3,4x5,14x6]HH)(N[6]Ga[3,3,5,5,7x6]CC)(H)2{1|C<4>,1|C<5>,5|B<6>}	C[6](C[3x3,4x5,14x6]B[4x3,5x5,19x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]C[3x3,4x5,13x6])(C[6]N[6]HH)(H)2{1|Ga<5>,2|C<4>,4|H<1>,5|B<6>}	H(C[6]C[6]N[6]H)	108.7775	0.056	2	108.7775	0.003	2	108.7775	0.003	2	109.2439	0.193	154	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	5:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	B[3x3,3x5,12x6]-5:C[6]-4:B-4:H-1:	C[6]-4:	C[6](C[6]B[3x3,3x5,12x6]BH)(C[6]C[6]HH)(H)2	C[6](B[3x3,3x5,12x6]C[3,3,4,3x5,14x6]B[3x3,3x5,9x6]B[5x3,3x5,8x6]2)(C[6]C[6]HH)(BN[6]2H)(H)	H(C[6]C[6]2H)	C[6](C[6]B[3x3,3x5,12x6]BH)(C[6]C[6]HH)(H)2{1|B<5>,1|C<5>,2|B<6>,2|H<1>}	C[6](B[3x3,3x5,12x6]C[3,3,4,3x5,14x6]B[3x3,3x5,9x6]B[5x3,3x5,8x6]2)(C[6]C[6]HH)(BN[6]2H)(H){1|B<4>,1|C<4>,2|B<5>,2|B<6>,5|H<1>}	H(C[6]C[6]2H)	108.9275	0.057	2	108.9275	0.003	2	108.9275	0.003	2	109.3575	0.087	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	5:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	B[3x3,3x5,9x6]-5:C[6]-4:B-4:H-1:	C[6]-4:	C[6](C[6]B[3x3,3x5,9x6]BH)(C[6]C[6]HH)(H)2	C[6](B[3x3,3x5,9x6]C[3,3,3x5,11x6]B[3x3,3x5,8x6]B[5x3,3x5,5x6]B[5x3,5,5,8x6])(C[6]C[6]HH)(BN[6]2H)(H)	H(C[6]C[6]2H)	C[6](C[6]B[3x3,3x5,9x6]BH)(C[6]C[6]HH)(H)2{1|B<5>,1|C<5>,2|B<6>,2|H<1>}	C[6](B[3x3,3x5,9x6]C[3,3,3x5,11x6]B[3x3,3x5,8x6]B[5x3,3x5,5x6]B[5x3,5,5,8x6])(C[6]C[6]HH)(BN[6]2H)(H){1|B<3>,1|C<4>,2|B<5>,2|B<6>,5|H<1>}	H(C[6]C[6]2H)	108.2805	0.059	2	108.2805	0.003	2	108.2805	0.003	2	109.3575	0.087	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	5:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-5:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CoH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]CoHH)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CoH)(C[6]C[6]CH)(H)2{1|H<1>,1|H<2>,2|C<4>}	C[6](C[6]C[6]CoHH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3405	0.008	2	109.3405	0.000	2	109.3405	0.000	2	109.3575	0.087	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	5:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-5:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PC[5]C[6]RhZr)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PC[5]C[6]RhZr)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5933	0.126	23	109.5933	0.016	23	109.4951	0.039	38	109.3575	0.087	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	5:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P-5:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](PC[5]C[6]Ru2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	C[6](PC[5]C[6]Ru2)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3445	0.192	15	109.3445	0.037	15	109.4951	0.039	38	109.3575	0.087	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	5:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	P[5]-5:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	C[6](P[5]C[5,6a]2C[6]F)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|F<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](P[5]C[5,6a]2C[6]F)(C[6]C[6]HH)2(H){3|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.2047	0.102	6	109.2047	0.010	6	109.2047	0.010	6	109.3575	0.087	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	5:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	Si-5:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	C[6](SiN[5]LiCO)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](SiN[5]LiCO)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2236	0.083	8	109.2236	0.007	8	109.2236	0.007	8	109.3575	0.087	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	5:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	Si[5,5]-5:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]Si[5,5]C[6]H)(C[6]C[6]HH)(H)2	C[6](Si[5,5]N[5]2O[5]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]Si[5,5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|N<4>,2|O<2>,4|H<1>}	C[6](Si[5,5]N[5]2O[5]2)(C[6]C[6]HH)2(H){2|C<3>,2|N<2>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2940	0.022	3	109.2940	0.000	3	109.2940	0.000	3	109.3575	0.087	61	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	5:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x3,4,3x5,14x6]-5:C[4]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[3x3,4,3x5,14x6]C[4]C[6])(C[6]C[6]HH)(H)2	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[4]C[4]2H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[3x3,4,3x5,14x6]C[4]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|B<6>,4|H<1>}	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[4]C[4]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<5>,2|C<3>,2|C<4>,5|B<6>,9|H<1>}	H(C[6]C[6]2H)	108.1700	0.020	2	108.1700	0.000	2	108.1700	0.000	2	108.1700	0.000	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	5:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x3,4,3x5,14x6]-5:C[4]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[3x3,4,3x5,14x6]C[4]C[6])(C[6]C[6]HH)(H)2	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[4]C[4]2H)(C[6]C[6]HH)2	H(C[6]C[6]2H)	C[6](C[6]C[3x3,4,3x5,14x6]C[4]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|B<6>,5|H<1>}	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[4]C[4]2H)(C[6]C[6]HH)2{1|C<5>,2|C<3>,2|C<4>,5|B<6>,9|H<1>}	H(C[6]C[6]2H)	108.3615	0.069	4	108.3615	0.005	4	108.3615	0.005	4	108.3622	0.095	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	5:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[3x3,4,3x5,14x6]-5:C[5]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[3x3,4,3x5,14x6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5]2Fe)(C[6]C[6]HH)2	H(C[6]C[6]2H)	C[6](C[6]C[3x3,4,3x5,14x6]C[5]C[6])(C[6]C[6]HH)(H)2{1|Fe<10>,3|C<4>,4|B<6>,4|H<1>}	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5]2Fe)(C[6]C[6]HH)2{10|H<1>,1|C<5>,3|C<4>,5|B<6>}	H(C[6]C[6]2H)	108.3625	0.385	8	108.3625	0.148	8	108.3625	0.148	8	108.3622	0.095	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	6:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5x3,5x5,21x6]-6:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HH)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4B[5x3,5x5,21x6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,5|B<6>}	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4B[5x3,5x5,21x6])(C[6]C[6]HH)(H)2{1|C<4>,5|B<6>,6|H<1>}	H(C[6]C[6]2H)	108.9080	0.008	2	108.7944	0.044	7	108.4833	0.263	13	108.4833	0.263	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	6:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5x3,5x5,21x6]-6:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HH)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4B[5x3,5x5,21x6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<4>,5|B<6>}	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4B[5x3,5x5,21x6])(C[6]C[6]HH)(H)2{1|C<4>,5|B<6>,6|H<1>}	H(C[6]C[6]2H)	108.6782	0.206	4	108.7944	0.044	7	108.4833	0.263	13	108.4833	0.263	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	6:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5x3,5x5,21x6]-6:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HH)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4B[5x3,5x5,21x6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,5|B<6>}	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4B[5x3,5x5,21x6])(C[6]C[6]HH)(H)2{1|C<4>,5|B<6>,6|H<1>}	H(C[6]C[6]2H)	109.0320	0.000	1	108.7944	0.044	7	108.4833	0.263	13	108.4833	0.263	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	6:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5x3,5x5,21x6]-6:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HH)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HH)(H)2{1|C<6>,2|H<1>,4|B<6>}	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HH)(H)2{1|C<4>,5|B<6>,6|H<1>}	H(C[6]C[6]2H)	107.7930	0.214	4	107.7930	0.046	4	108.4833	0.263	13	108.4833	0.263	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	6:4:1:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5x3,5x5,21x6]-6:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HO)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4B[5x3,5x5,21x6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HO)(H)2{2|H<1>,5|B<6>}	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4B[5x3,5x5,21x6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,5|B<6>,5|H<1>}	H(C[6]C[6]2H)	108.7750	0.020	2	108.7750	0.000	2	108.4833	0.263	13	108.4833	0.263	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	6:4:2:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	B[5x3,5x5,21x6]-6:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]B[5x3,5x5,21x6]HO)(C[6]C[6]HH)(H)2	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]B[5x3,5x5,21x6]HO)(C[6]C[6]HH)(H)2{1|C<6>,2|H<1>,4|B<6>}	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HH)(OC)(H){1|C<4>,5|B<6>,6|H<1>}	H(C[6]C[6]2H)	109.5305	0.015	2	109.5305	0.000	2	109.5305	0.000	2	109.5305	0.000	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	6:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	B[4x3,3x5,13x6]-6:C[6]-4:B-3:H-1:	C[6]-4:	C[6](C[6]B[4x3,3x5,13x6]BH)(C[6]C[6]HH)(H)2	C[6](B[4x3,3x5,13x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6]H[3])(C[6]C[6]HH)(BOO)(H)	H(C[6]C[6]2H)	C[6](C[6]B[4x3,3x5,13x6]BH)(C[6]C[6]HH)(H)2{1|C<5>,1|H<2>,2|H<1>,3|B<6>}	C[6](B[4x3,3x5,13x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6]H[3])(C[6]C[6]HH)(BOO)(H){1|C<4>,5|B<6>,5|H<1>}	H(C[6]C[6]2H)	109.0820	0.045	2	109.0820	0.002	2	109.0820	0.002	2	109.4325	0.165	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	6:4:3:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	B[5x3,5x5,21x6]-6:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]B[5x3,5x5,21x6]N[6]H)(C[6]C[6]HH)(H)2	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HH)(N[6]C[6]2)(H)	H(C[6]C[6]2H)	C[6](C[6]B[5x3,5x5,21x6]N[6]H)(C[6]C[6]HH)(H)2{1|C<6>,2|C<3>,2|H<1>,4|B<6>}	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HH)(N[6]C[6]2)(H){1|C<4>,2|C<3>,5|B<6>,8|H<1>}	H(C[6]C[6]2H)	109.7830	0.028	2	109.7830	0.001	2	109.7830	0.001	2	109.4325	0.165	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	6:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	B[4x3,5,4x6]-6:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]B[4x3,5,4x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]B[4x3,5,4x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<2>,3|B<6>,4|H<1>}	C[6](B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]2)(C[6]C[6]HH)2(H){1|C<4>,4|B<6>,7|H<1>}	H(C[6]C[6]2H)	109.4023	0.009	3	109.4023	0.000	3	109.4023	0.000	3	109.4731	0.005	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	6:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	B[5x3,5x5,21x6]-6:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]B[5x3,5x5,21x6]HN)(C[6]C[6]HH)(H)2	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HH)(NCCH)(H)	H(C[6]C[6]2H)	C[6](C[6]B[5x3,5x5,21x6]HN)(C[6]C[6]HH)(H)2{1|C<6>,2|H<1>,4|B<6>}	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HH)(NCCH)(H){1|C<4>,5|B<6>,6|H<1>}	H(C[6]C[6]2H)	109.5175	0.053	2	109.5175	0.003	2	109.5263	0.001	4	109.4731	0.005	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	6:4:4:1:	4:	C[6]-4:C[6]-4:H-1:H-1:	B[5x3,5x5,21x6]-6:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]B[5x3,5x5,21x6]HN)(C[6]C[6]HH)(H)2	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HH)(NCHH)(H)	H(C[6]C[6]2H)	C[6](C[6]B[5x3,5x5,21x6]HN)(C[6]C[6]HH)(H)2{1|C<6>,2|H<1>,4|B<6>}	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HH)(NCHH)(H){1|C<4>,5|B<6>,6|H<1>}	H(C[6]C[6]2H)	109.5350	0.021	2	109.5350	0.000	2	109.5263	0.001	4	109.4731	0.005	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	6:4:4:3:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5x3,5x5,20x6]-6:C[6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6]C[5x3,5x5,20x6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6]C[6]HH)2(C[5]C[5]2)	H(C[6]C[6]2H)	C[6](C[6]C[5x3,5x5,20x6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>,5|B<6>}	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6]C[6]HH)2(C[5]C[5]2){11|H<1>,1|C<3>,1|C<6>,2|C<4>,4|B<6>}	H(C[6]C[6]2H)	109.0294	0.136	7	109.0294	0.019	7	109.0294	0.019	7	109.0294	0.019	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:1:1:	6:4:4:4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[5x3,5x5,20x6]-6:C[5]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5x3,5x5,20x6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[5]C[5]2Fe)(C[6]C[6]HH)2	H(C[6]C[6]2H)	C[6](C[6]C[5x3,5x5,20x6]C[5]C[6])(C[6]C[6]HH)(H)2{1|Fe<10>,3|C<4>,4|H<1>,5|B<6>}	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[5]C[5]2Fe)(C[6]C[6]HH)2{11|H<1>,1|C<6>,3|C<4>,4|B<6>}	H(C[6]C[6]2H)	108.5027	0.348	7	108.5027	0.121	7	108.5027	0.121	7	108.5027	0.121	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	2:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(OH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(OH)(H){4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HO)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2O)	109.2860	0.000	1	109.2860	0.000	1	109.2860	0.000	1	108.3100	0.351	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	2:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]CH)(C[6]S[6]HH)(OH)(H)	C[6](S[6]C[5a,6])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]N[5a,6]CH)(C[6]S[6]HH)(OH)(H){2|C<3>}	C[6](S[6]C[5a,6])(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>}	H(C[6]C[6]2O)	108.0840	0.000	1	108.0840	0.000	1	108.0660	0.071	4	108.3100	0.351	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	2:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]C[6a]H)(C[6]S[6]HH)(OH)(H)	C[6](S[6]C[5a,6])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]N[5a,6]C[6a]H)(C[6]S[6]HH)(OH)(H){4|C<3>}	C[6](S[6]C[5a,6])(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(C[6]C[6]2O)	107.9505	0.377	2	107.9505	0.142	2	108.0660	0.071	4	108.3100	0.351	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	2:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]S[6]HH)(OH)(H)	C[6](S[6]C[5a,6])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]N[5a,6]HH)(C[6]S[6]HH)(OH)(H){2|C<3>}	C[6](S[6]C[5a,6])(C[6]C[6]HO)(H)2{1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2O)	108.2790	0.000	1	108.2790	0.000	1	108.0660	0.071	4	108.3100	0.351	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	2:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(OS)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(OS)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CHHO)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2O)	110.8100	0.000	1	110.8100	0.000	1	110.8100	0.000	1	109.8400	1.882	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	2:4:4:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(SC)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CCHH)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(SC)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CCHH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2S)	108.8700	0.000	1	108.8700	0.000	1	108.8700	0.000	1	109.8400	1.882	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	2:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(C[6]O[6]CC)(OH)(H)	C[6](O[6]C[5,5,3x6])(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[5,3x6]HH)(C[6]O[6]CC)(OH)(H){1|C<3>,2|C<4>}	C[6](O[6]C[5,5,3x6])(C[6]C[6]HO)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.2900	0.000	1	108.2900	0.000	1	108.4413	0.403	10	108.4413	0.403	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	2:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OC)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OC)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2{2|C<3>,2|H<1>}	H(C[6]C[6]2O)	109.4790	0.000	1	109.4790	0.000	1	108.4413	0.403	10	108.4413	0.403	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	2:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CCHH)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CCHH)(CH3){2|C<3>,2|H<1>}	H(C[6]C[6]2O)	108.8450	0.000	1	108.8450	0.000	1	108.4413	0.403	10	108.4413	0.403	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	2:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2{2|C<3>,2|H<1>}	H(C[6]C[6]2O)	108.2795	0.831	4	108.2795	0.690	4	108.4413	0.403	10	108.4413	0.403	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	2:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(OH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(OH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2{1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6]2O)	108.4030	0.000	1	108.4030	0.000	1	108.4413	0.403	10	108.4413	0.403	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	2:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(OH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CHOO)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(OH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CHOO)(CH3){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2O)	108.0840	0.000	1	108.0840	0.000	1	108.4413	0.403	10	108.4413	0.403	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	2:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]O[6]CC)(OC)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HO)(C[6]O[6]CC)(OC)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2O)	108.1940	0.000	1	108.1940	0.000	1	108.4413	0.403	10	108.4413	0.403	10	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]O)(C[6]C[6a]O[6]H)(OH)(H)	C[6](C[6a]C[6a]2)(O[6]C[5a,6])(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5a,6]C[6a]O)(C[6]C[6a]O[6]H)(OH)(H){6|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[5a,6])(C[6]C[6]HO)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6]2O)	109.1380	0.000	1	109.1380	0.000	1	109.0354	1.507	7	109.1109	1.337	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(OH)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(OH)(H){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H){4|C<3>,4|H<1>}	H(C[6]C[6]2O)	108.3307	1.057	4	108.3307	1.116	4	109.0354	1.507	7	109.1109	1.337	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(OS)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(OS)(H){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H){4|C<3>,4|H<1>}	H(C[6]C[6]2O)	110.3935	0.081	2	110.3935	0.007	2	109.0354	1.507	7	109.1109	1.337	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:2:4:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6a]-3:N[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HS)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC)(H){4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HS)(H){4|C<3>,4|H<1>}	H(C[6]C[6]2S)	109.6390	0.000	1	109.6390	0.000	1	109.6390	0.000	1	109.1109	1.337	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:3:2:4:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]HO)(SC[6a])(H)	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]HS)	H(C[6]C[6]2S)	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]HO)(SC[6a])(H){6|C<3>}	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]HS){1|O<2>,5|H<1>,6|C<3>}	H(C[6]C[6]2S)	105.7705	0.136	2	105.7705	0.019	2	105.7705	0.019	2	105.7705	0.019	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(OH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(OH)(H){4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|O<2>,4|H<1>,5|C<3>}	H(C[6]C[6]2O)	109.2810	0.000	1	109.2810	0.000	1	109.2810	0.000	1	108.2409	2.068	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2O)	107.9810	0.000	1	107.9810	0.000	1	107.9810	0.000	1	108.2409	2.068	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a,6]C[6a]H)(C[6]S[6]HH)(OH)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]N[5a,6]C[6a]H)(C[6]S[6]HH)(OH)(H){4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|F<1>,1|N<2>,1|S<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2O)	107.8460	0.320	2	107.8460	0.102	2	107.8460	0.102	2	108.2409	2.068	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[5a,6]-3:N[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a,6]N[6a]H)(C[6]N[6]HH)(OD)(H)	C[6](N[5a,6]C[5a,6]C[5a])(N[6a]C[6a]2)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]N[5a,6]N[6a]H)(C[6]N[6]HH)(OD)(H){1|D<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(N[6a]C[6a]2)(C[6]C[6]HO)(H){1|N<3>,1|O<1>,2|C<3>,2|N<2>,4|H<1>}	H(C[6]C[6]2O)	105.2050	0.000	1	105.2050	0.000	1	105.2050	0.000	1	108.2409	2.068	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]HH)(SC[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]HH)(SC[6a])(H){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6]2S)	108.9910	0.427	2	108.9910	0.182	2	108.9910	0.182	2	108.2409	2.068	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HS)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HS)(H){4|C<3>,4|H<1>}	H(C[6]C[6]2S)	109.7860	0.000	1	109.7860	0.000	1	109.7860	0.000	1	108.2409	2.068	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:3:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]O)(C[6]C[6a]O[6]H)(OH)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HO)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[5a,6]C[6a]O)(C[6]C[6a]O[6]H)(OH)(H){6|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HO)(OH){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2O)	109.1410	0.000	1	109.1410	0.000	1	109.1410	0.000	1	109.1410	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:3:4:4:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]2C[6])(C[6]C[6]CH)(NS)(H)	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]HN)	H(C[6]C[6]2N)	C[6](C[6]C[6a]2C[6])(C[6]C[6]CH)(NS)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]HN){2|C<4>,4|C<3>,7|H<1>}	H(C[6]C[6]2N)	105.9610	0.000	1	105.9610	0.000	1	105.9610	0.000	1	105.9610	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[3,5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[3,5,6]HO)(H)2	H(C[6]C[3,5,6]C[6]O)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[3,5,6]HO)(H)2{1|O<2>,6|C<4>}	H(C[6]C[3,5,6]C[6]O)	108.7007	0.181	4	108.7007	0.033	4	108.7007	0.033	4	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5a,6]HH)(OSi)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5a,6]HH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HO)(H)2{2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]O)	108.2800	0.000	2	108.2800	0.000	2	108.2800	0.000	2	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]O)	108.3990	0.000	1	108.3990	0.000	1	108.3990	0.000	1	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(OC)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]O)	108.3050	0.000	1	108.3050	0.000	1	109.2215	1.680	2	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(OC)(H)	C[6](N[5,6]C[5,6]O[5])(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](N[5,6]C[5,6]O[5])(C[6]C[5,6]HO)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]O)	110.1380	0.000	1	110.1380	0.000	1	109.2215	1.680	2	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5a,6]HH)(OH)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5a,6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[5,6]C[6]O)	109.3630	0.000	1	109.3630	0.000	1	108.6940	0.895	2	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5a,6]HH)(OH)(H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5a,6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[6]C[5,6]C[6]O)	108.0250	0.000	1	108.0250	0.000	1	108.6940	0.895	2	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6,6]HH)(OC)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6,6]HH)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]O)	108.5460	0.000	1	108.5460	0.000	1	108.1615	0.296	2	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6,6]HH)(OH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6,6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]O)	107.7770	0.000	1	107.7770	0.000	1	108.1615	0.296	2	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]2)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,6|C<4>}	C[6](C[5,6]C[5,6]2)(C[6]C[6,6]HO)(H)2{1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]O)	108.4590	0.000	1	108.4590	0.000	1	107.7977	0.329	3	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,6|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	107.4990	0.000	1	107.4670	0.002	2	107.7977	0.329	3	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,6|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HO)(H)2{1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]O)	107.4350	0.000	1	107.4670	0.002	2	107.7977	0.329	3	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]O)	109.9060	0.000	1	109.9060	0.000	1	109.9060	0.000	1	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	108.8877	0.161	3	108.8877	0.026	3	108.9880	0.058	4	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(OH)(H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]O)	109.2890	0.000	1	109.2890	0.000	1	108.9880	0.058	4	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:S-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(SC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HS)(H)2	H(C[6]C[6,6]C[6]S)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(SC)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HS)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]S)	108.2462	0.377	5	108.2462	0.142	5	108.2462	0.142	5	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(CC[6a]CO)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HH)(CC[6a]CO)(O[6]C[6])(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]O[6]C)	108.4240	0.000	1	108.4240	0.000	1	108.7463	0.079	3	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(CC[6a]HH)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HH)(CC[6a]HH)(O[6]C[6])(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]O[6]C)	108.9075	0.047	2	108.9075	0.002	2	108.7463	0.079	3	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C-4:O[6]-2:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(CN[5a]HH)(O[6]C[6])(H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]N[5a,6]HH)(CN[5a]HH)(O[6]C[6])(H){1|C<3>,1|N<2>,2|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|N<2>}	H(C[6]C[6]O[6]C)	107.0350	1.482	2	107.0350	2.197	2	107.0350	2.197	2	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	110.0080	0.000	1	110.0080	0.000	1	110.0080	0.000	1	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.6190	0.000	1	107.6190	0.000	1	108.8425	0.680	4	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NN)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NN)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2N)	109.2503	0.151	3	109.2503	0.023	3	108.8425	0.680	4	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(NN)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(NN)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	109.4580	0.000	1	109.4580	0.000	1	109.5917	0.014	3	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)2(NC)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]N[5,6]HH)2(NC)(H){3|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2N)	109.6585	0.046	2	109.6585	0.002	2	109.5917	0.014	3	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[3x6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]O[6]CC)(OH)(H)	C[6](C[3x6]C[3x6]2)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[3x6]HH)(C[6]O[6]CC)(OH)(H){1|C<3>,1|C<4>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[6]2O)	107.0190	0.000	1	107.0190	0.000	1	107.0190	0.000	1	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(OSi)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(OSi)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2{1|O<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2O)	108.8695	0.117	4	108.8695	0.014	4	108.8695	0.014	4	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CO)(OH)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CO)(OH)(H){1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(H)2{1|C<4>,2|O<2>,3|C<3>}	H(C[6]C[6]2O)	108.3690	0.654	4	108.3690	0.427	4	108.6900	0.836	5	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2O)	109.9740	0.000	1	109.9740	0.000	1	108.6900	0.836	5	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.5890	0.059	2	109.4980	0.815	56	109.1787	0.862	125	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2O)	109.4946	0.919	54	109.4980	0.815	56	109.1787	0.862	125	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC[5])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC[5])(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2O)	109.5270	0.086	2	109.5270	0.007	2	109.1787	0.862	125	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.5750	0.000	1	108.8398	0.806	59	109.1787	0.862	125	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2O)	108.8271	0.900	58	108.8398	0.806	59	109.1787	0.862	125	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OP)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OP)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2O)	109.2330	0.000	1	109.2330	0.000	1	109.1787	0.862	125	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OS)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OS)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2O)	109.7035	0.121	4	109.7035	0.015	4	109.1787	0.862	125	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(OH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(OH)(H){1|C<4>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(C[6]C[6]2O)	109.3865	0.050	2	109.3865	0.003	2	109.1787	0.862	125	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H){1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2O)	108.0290	0.000	1	108.0290	0.000	1	109.1787	0.862	125	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]CC)(OC)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]CC)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,4|C<3>}	H(C[6]C[6]2O)	108.2440	0.000	1	108.2440	0.000	1	109.1707	1.251	61	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2O)	103.4130	0.000	1	103.4130	0.000	1	109.1707	1.251	61	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6]2O)	108.7580	0.000	1	108.7580	0.000	1	109.1707	1.251	61	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(OC)(H){1|Cl<1>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2O)	108.2070	0.000	1	108.2070	0.000	1	109.1707	1.251	61	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2O)	110.0540	0.000	1	110.0540	0.000	1	109.1707	1.251	61	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(OH)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2O)	109.2047	0.115	4	109.2047	0.013	4	109.1707	1.251	61	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HI)(OH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HI)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|I<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2O)	109.1850	0.000	1	109.1850	0.000	1	109.1707	1.251	61	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(C[6]C[6]2O)	107.6660	0.000	1	107.6660	0.000	1	109.1707	1.251	61	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2O)	108.5380	0.000	1	108.5380	0.000	1	109.1707	1.251	61	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2O)	109.7805	0.550	13	109.7805	0.303	13	109.1707	1.251	61	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H){2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2O)	109.8550	0.000	1	109.8550	0.000	1	109.1707	1.251	61	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2O)	109.1902	0.693	17	109.1902	0.480	17	109.1707	1.251	61	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(OC)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2O)	110.5350	0.000	1	110.5350	0.000	1	109.1707	1.251	61	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2O)	110.1550	0.000	1	110.1550	0.000	1	109.1707	1.251	61	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(OH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|C<3>}	H(C[6]C[6]2O)	109.1390	0.140	2	109.1390	0.020	2	109.1707	1.251	61	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OC)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2O)	109.5710	0.000	1	109.5710	0.000	1	109.1707	1.251	61	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OH)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2O)	108.1323	0.793	3	108.4562	0.523	5	109.1707	1.251	61	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OH)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6]2O)	108.9420	0.212	2	108.4562	0.523	5	109.1707	1.251	61	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(OS)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(OS)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2O)	110.8190	0.000	1	110.8190	0.000	1	109.1707	1.251	61	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(OH)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]2O)	109.4340	0.000	1	109.4340	0.000	1	109.1707	1.251	61	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(OH)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6]2O)	108.5353	1.236	3	108.3445	1.163	4	109.1707	1.251	61	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(OH)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2O)	107.7720	0.000	1	108.3445	1.163	4	109.1707	1.251	61	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(OS)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(OS)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2O)	110.4210	0.130	2	110.4210	0.017	2	109.1707	1.251	61	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]ClH)(OC)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(Cl)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]ClH)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(Cl)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	110.1025	0.018	2	110.1025	0.000	2	110.1025	0.000	2	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[5,6,6]O)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.4900	0.000	1	109.4900	0.000	1	109.1232	0.960	32	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2O)	108.8830	0.000	1	108.8830	0.000	1	109.1232	0.960	32	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2O)	106.8510	0.000	1	106.8510	0.000	1	109.1232	0.960	32	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2O)	109.6630	0.000	1	109.6630	0.000	1	109.1232	0.960	32	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2O)	108.2570	0.000	1	108.2570	0.000	1	109.1232	0.960	32	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(OSi)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2O)	109.3710	0.000	1	109.3710	0.000	1	109.1232	0.960	32	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OC)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.9980	0.000	1	108.9980	0.000	1	109.1232	0.960	32	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2O)	106.8930	2.657	2	106.8930	7.061	2	109.1232	0.960	32	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.2280	0.000	1	109.2280	0.000	1	109.1232	0.960	32	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.5729	0.335	9	109.5729	0.113	9	109.1232	0.960	32	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(OH)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2O)	109.2400	0.087	4	109.2400	0.008	4	109.1232	0.960	32	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(OH)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2O)	109.5815	0.456	2	109.5815	0.208	2	109.1232	0.960	32	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(H)2{1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2O)	109.5583	0.804	4	109.5583	0.646	4	109.1232	0.960	32	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){1|N<2>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2O)	109.1640	0.000	1	109.1640	0.000	1	109.1232	0.960	32	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]N[5a,6]CH)(C[6]C[6]HH)(OH)(H){1|O<1>,2|C<3>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2O)	108.8695	0.122	2	108.8695	0.015	2	109.1232	0.960	32	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]N[5,6]HH)(OH)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]N[5,6]HH)(OH)(H){4|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.3500	0.000	1	109.3500	0.000	1	109.1409	2.077	8	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HN)(OH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]N[5,6]HH)(C[6]C[6]HN)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2{1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.3790	0.000	1	109.3790	0.000	1	109.1409	2.077	8	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.2420	0.000	1	109.2420	0.000	1	109.1409	2.077	8	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(OH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(OH)(H){2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,1|S<2>,3|H<1>}	H(C[6]C[6]2O)	108.1957	0.149	3	108.1957	0.022	3	109.1409	2.077	8	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(OH)(H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(OH)(H){1|C<3>,1|N<2>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2O)	112.4160	0.000	1	110.2845	9.087	2	109.1409	2.077	8	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(OH)(H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(OH)(H){1|C<3>,1|N<2>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HO)(H)2{1|N<2>,1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2O)	108.1530	0.000	1	110.2845	9.087	2	109.1409	2.077	8	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]CO)(OH)(H)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]N[5a,6]HH)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	108.2280	0.000	1	108.2280	0.000	1	108.2525	0.001	2	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]S[6]HH)(OH)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]N[5a,6]HH)(C[6]S[6]HH)(OH)(H){2|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HO)(H)2{1|N<2>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2O)	108.2770	0.000	1	108.2770	0.000	1	108.2525	0.001	2	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.4530	0.000	1	108.4530	0.000	1	108.6090	1.155	5	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	107.8010	1.310	2	108.6480	1.530	4	108.6090	1.155	5	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.4950	0.071	2	108.6480	1.530	4	108.6090	1.155	5	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6a]HH)(C[6]C[6]HH)(OH)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]N[6,6a]HH)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	H(C[6]C[6]2O)	106.2900	0.000	1	106.2900	0.000	1	106.2900	0.000	1	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(OH)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(OH)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2O)	108.9870	0.000	1	108.9870	0.000	1	109.3390	0.180	7	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(OH)(H)	C[6](N[6]C[6,6a]S)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(OH)(H){1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]S)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2O)	108.9300	0.000	1	108.9300	0.000	1	109.3390	0.180	7	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OSi)(H)	C[6](N[6]C[6,6]S)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6](N[6]C[6,6]S)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.8080	0.000	1	108.8080	0.000	1	109.3390	0.180	7	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OC)(H)	C[6](N[6]C[5,6]C)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](N[6]C[5,6]C)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2O)	109.7180	0.000	1	109.7180	0.000	1	109.3390	0.180	7	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OSi)(H)	C[6](N[6]C[6a]O[6])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OSi)(H){1|C<3>,1|H<1>,1|O<2>,1|P<4>}	C[6](N[6]C[6a]O[6])(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2O)	109.8690	0.000	1	109.8690	0.000	1	109.3390	0.180	7	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]N[6]HH)(OH)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6a]O[6]H)(C[6]N[6]HH)(OH)(H){4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HO)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2O)	109.4540	0.000	1	109.4540	0.000	1	109.3390	0.180	7	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]N[6a]H)(C[6]N[6]HH)(OD)(H)	C[6](N[6]C[5a,6]D)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]N[5a,6]N[6a]H)(C[6]N[6]HH)(OD)(H){1|D<1>,4|C<3>}	C[6](N[6]C[5a,6]D)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|N<3>}	H(C[6]C[6]2O)	109.6070	0.000	1	109.6070	0.000	1	109.3390	0.180	7	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]2H)(O[6]C[6])(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]O[6]H)(H)2	H(C[6]C[6]2O[6])	C[6](C[6]C[5a,6]HH)(C[6]C[6]2H)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]O[6]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2O[6])	108.3270	0.000	2	108.3270	0.000	2	108.3270	0.000	2	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(SC[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(SC[6a])(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2S)	108.6585	0.344	2	108.6585	0.119	2	109.4693	1.906	7	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(SC[6a])(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(SC[6a])(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HS)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[6]C[6]2S)	110.3585	2.802	2	110.3585	7.853	2	109.4693	1.906	7	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(SC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(SC)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2S)	108.8160	0.000	1	108.8160	0.000	1	109.4693	1.906	7	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2S)	109.8110	0.000	1	109.7175	0.017	2	109.4693	1.906	7	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2{1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2S)	109.6240	0.000	1	109.7175	0.017	2	109.4693	1.906	7	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(SS)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(SS)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]HS)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2S)	106.8830	0.098	2	106.8830	0.010	2	107.9127	3.185	3	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC)(H)	C[6](C[6]N[6,6]O)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]HS)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2S)	109.9720	0.000	1	109.9720	0.000	1	107.9127	3.185	3	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]HH)(SC[6a])(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]HH)(SC[6a])(H){5|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HS)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2S)	109.0155	0.400	2	109.0155	0.160	2	109.0155	0.160	2	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:Se-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(SeC[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SeH)(H)2	H(C[6]C[6]2Se)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(SeC[6a])(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SeH)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2Se)	109.6790	0.000	1	109.6790	0.000	1	109.6790	0.000	1	109.0568	1.021	307	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6,6a]HO)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HO)(OH)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3]2C[6])(C[6]C[6,6a]HO)(OH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HO)(OH)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[3,6]C[6]O)	108.7780	0.000	1	108.7780	0.000	1	108.7780	0.000	1	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HO)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HO)(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HO)(OC)(H){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HO)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[5,6]C[6]O)	107.0370	0.000	1	107.0370	0.000	1	107.0370	0.000	1	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:C-2:H-1:	N[5,6]-3:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]N[5,6]CH)(CN)(H)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6,6]CH)(CN)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]N[6,6]C[6]H)(C[6]N[5,6]CH)(CN)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6,6]CH)(CN)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]C)	109.2160	0.000	1	109.2160	0.000	1	109.2160	0.000	1	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]HO)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]HO)(OC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(OH)(H){2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]O)	108.7810	0.000	1	108.7810	0.000	1	108.2675	0.527	2	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6a]HO)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6a]HO)(OH)(H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(OH)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]O)	107.7540	0.000	1	107.7540	0.000	1	108.2675	0.527	2	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(CC[6a]HN)(O[6]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]O[6]CH)(N[6]C[6])(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6a]N[6]H)(CC[6a]HN)(O[6]C[6])(H){1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]O[6]CH)(N[6]C[6])(H){2|H<1>,4|C<3>}	H(C[6]C[6]O[6]C)	108.1120	0.000	1	108.1120	0.000	1	108.1120	0.000	1	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(NN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(NN)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CN)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2N)	109.7450	0.000	1	109.7450	0.000	1	109.7450	0.000	1	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[3]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[3]O[6]H)(C[6]O[6]HH)(OC)(H)	C[6](C[3]C[3]N[3])(C[6]C[6]HO)(O[6]Si[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[3]O[6]H)(C[6]O[6]HH)(OC)(H){1|Si<4>,1|C<4>,1|N<2>}	C[6](C[3]C[3]N[3])(C[6]C[6]HO)(O[6]Si[6])(H){1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.8430	0.000	2	108.8430	0.000	2	108.8430	0.000	2	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]ClH)(OH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]ClH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(OH)(H){1|Cl<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.1740	0.000	1	109.1740	0.000	1	109.1740	0.000	1	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HO)(OC)(H)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HO)(OC)(H){1|C<4>,3|C<3>}	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	106.2800	0.477	2	106.2800	0.227	2	108.6549	2.058	12	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]SiH)(OH)(H)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]SiH)(OH)(H){1|C<4>,3|C<3>}	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HO)(OH)(H){1|Si<4>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	107.2370	0.000	1	107.2370	0.000	1	108.6549	2.058	12	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(OC)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2O)	108.7980	0.000	1	108.7980	0.000	1	108.6549	2.058	12	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2O)	107.7850	0.000	1	107.7850	0.000	1	108.6549	2.058	12	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2O)	109.8388	0.374	4	109.8388	0.140	4	108.6549	2.058	12	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2O)	109.9770	0.000	1	109.9770	0.000	1	108.6549	2.058	12	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|N<2>}	H(C[6]C[6]2O)	109.0735	0.470	2	109.0735	0.221	2	108.6549	2.058	12	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OC)(H){3|H<1>,4|C<4>}	H(C[6]C[6]2O)	109.0020	0.000	1	109.0020	0.000	1	108.2475	1.366	4	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OH)(H){3|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.4880	0.000	1	109.4880	0.000	1	108.2475	1.366	4	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(OSi)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(OSi)(H){1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[6]2O)	107.2500	0.000	2	107.2500	0.000	2	108.2475	1.366	4	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NN)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(OH)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2O)	109.5130	0.000	1	109.5130	0.000	1	109.5130	0.000	1	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(OH)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H){3|C<3>,3|H<1>}	H(C[6]C[6]2O)	109.5795	0.532	2	109.5795	0.284	2	110.2805	5.724	4	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]N[6]CH)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HO)(C[6]N[6]CH)(OH)(H){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OC)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2O)	113.7130	0.000	1	113.7130	0.000	1	110.2805	5.724	4	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]O[6]CC)(OC)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HO)(C[6]O[6]CC)(OC)(H){2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(OC)(H){2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6]2O)	108.2500	0.000	1	108.2500	0.000	1	110.2805	5.724	4	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(NN)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	108.0510	0.000	1	108.1635	0.025	2	108.1635	0.025	2	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(NN)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<4>}	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	108.2760	0.000	1	108.1635	0.025	2	108.1635	0.025	2	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(OC)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2O)	108.9040	0.000	1	108.9040	0.000	1	108.9616	0.460	21	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2O)	107.9640	0.000	1	108.1435	0.064	2	108.9616	0.460	21	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.3230	0.000	1	108.1435	0.064	2	108.9616	0.460	21	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.8220	0.000	1	108.8220	0.000	1	108.9616	0.460	21	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OSi)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OSi)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.1900	0.000	1	109.1900	0.000	1	108.9616	0.460	21	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OC[6a])(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OC[6a])(H){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2O)	107.4120	0.000	1	107.4120	0.000	1	108.9616	0.460	21	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.9355	0.351	2	108.9355	0.124	2	108.9616	0.460	21	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	110.1200	0.000	1	110.1200	0.000	1	108.9616	0.460	21	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2O)	108.7818	0.592	4	108.7818	0.350	4	108.9616	0.460	21	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2O)	109.0690	0.000	1	109.0690	0.000	1	108.9616	0.460	21	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.4330	0.508	6	109.4330	0.258	6	108.9616	0.460	21	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HO)(OH)(H){3|C<3>,3|H<1>}	H(C[6]C[6]2O)	108.7930	0.000	1	108.7930	0.000	1	108.9616	0.460	21	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H){2|C<3>,2|C<4>,2|H<1>,3|O<2>}	H(C[6]C[6]2O)	109.9340	0.143	2	109.9340	0.020	2	109.4014	0.745	7	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HO)(O[6]C[6])(H){2|C<3>,2|C<4>,2|H<1>,3|O<2>}	H(C[6]C[6]2O)	110.5400	0.000	1	110.5400	0.000	1	109.4014	0.745	7	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2O)	108.2940	0.363	2	108.6670	0.483	3	109.4014	0.745	7	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[6]C[6]2O)	109.4130	0.000	1	108.6670	0.483	3	109.4014	0.745	7	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]N[6]HH)(OH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]O[6]H)(C[6]N[6]HH)(OH)(H){4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2O)	109.4010	0.000	1	109.4010	0.000	1	109.4014	0.745	7	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[5]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6]2O)	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HO)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2O)	110.1237	0.501	3	110.1237	0.251	3	110.1237	0.251	3	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6]2O)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2O)	109.6320	0.303	2	109.6320	0.092	2	109.7169	0.524	17	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](N[5a]C[5a,6a]N[5a])(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6]2O)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](N[5a]C[5a,6a]N[5a])(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|N<2>}	H(C[6]C[6]2O)	110.6610	0.000	1	110.6610	0.000	1	109.7169	0.524	17	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6]2O)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2O)	110.4077	0.203	4	110.4077	0.041	4	109.7169	0.524	17	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](N[5a]C[5a]O[5a])(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6]2O)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](N[5a]C[5a]O[5a])(C[6]C[6]HO)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.5710	0.147	2	109.5710	0.022	2	109.7169	0.524	17	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6]2O)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>,4|C<3>}	H(C[6]C[6]2O)	109.3670	0.000	1	109.3670	0.000	1	109.7169	0.524	17	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6]2O)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.3033	0.813	7	109.3033	0.662	7	109.7169	0.524	17	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]HO)(SC[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(OH)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]HO)(SC[6a])(H){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6]2S)	105.7665	0.141	2	105.7665	0.020	2	105.7665	0.020	2	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(SC[6a])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(O[6]C[6])(H)	H(C[6]C[6]2S)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(SC[6a])(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2S)	109.0620	0.000	1	109.0620	0.000	1	109.0620	0.000	1	109.0506	1.443	84	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6a]-3:C[6]-4:O[6]-2:C-3:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(NN)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(CC[6a]O)	H(C[6]C[6]2N)	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(NN)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(CC[6a]O){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2N)	105.6050	0.000	1	105.6050	0.000	1	105.6050	0.000	1	105.6050	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[5a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6]N[5a]O[6]C)(C[6]C[6]HO)(OC)(H)	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(CH3)	H(C[6]C[6]2O)	C[6](C[6]N[5a]O[6]C)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(CH3){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6]2O)	108.6480	0.000	1	108.6480	0.000	1	109.1625	0.529	2	109.1625	0.529	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:2:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[5a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6]N[5a]O[6]C)(C[6]C[6]N[5]H)(OC)(H)	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(CH3)	H(C[6]C[6]2O)	C[6](C[6]N[5a]O[6]C)(C[6]C[6]N[5]H)(OC)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(CH3){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	H(C[6]C[6]2O)	109.6770	0.000	1	109.6770	0.000	1	109.1625	0.529	2	109.1625	0.529	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]CH)(OC)(H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[5,6]HO)(CCH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[5,6]HO)(CCH)(H){1|C<2>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[6]C[5,6]C[6]O)	110.1730	0.000	1	110.1730	0.000	1	110.1730	0.000	1	108.8131	1.864	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-2:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CN)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	104.6990	0.000	1	104.6990	0.000	1	104.6990	0.000	1	108.8131	1.864	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)2(OH)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(C[6]N[6]O)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5a]C[6]H)2(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(C[6]N[6]O)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6]2O)	109.2770	0.000	1	109.2770	0.000	1	109.2770	0.000	1	108.8131	1.864	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(N[6]C[6]S)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(N[6]C[6]S)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2O)	110.4430	0.000	1	110.4430	0.000	1	110.4430	0.000	1	108.8131	1.864	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(NCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(NCH)(H){3|H<1>,4|C<4>}	H(C[6]C[6]2O)	108.9680	0.218	2	108.9680	0.047	2	108.9680	0.047	2	108.8131	1.864	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CC[6a]O)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OC)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CC[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2O)	109.4550	0.000	1	109.4550	0.000	1	108.5615	1.597	2	108.8131	1.864	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2O)	107.6680	0.000	1	107.6680	0.000	1	108.5615	1.597	2	108.8131	1.864	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(OH)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2O)	108.7140	0.000	1	108.7140	0.000	1	108.7140	0.000	1	108.8131	1.864	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(NCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	110.1710	0.000	1	110.1710	0.000	1	109.1440	2.109	2	108.8131	1.864	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(NCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	108.1170	0.000	1	108.1170	0.000	1	109.1440	2.109	2	108.8131	1.864	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.4460	0.000	1	108.4460	0.000	1	108.9425	0.218	4	108.8131	1.864	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]O)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]O)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2O)	108.6980	0.000	1	108.6980	0.000	1	108.9425	0.218	4	108.8131	1.864	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(OH)(H){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2O)	109.1220	0.000	1	109.1220	0.000	1	108.9425	0.218	4	108.8131	1.864	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(OC)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]N[6]C)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(OC)(H){1|C<4>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]N[6]C)(H){1|O<1>,2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.5040	0.000	1	109.5040	0.000	1	108.9425	0.218	4	108.8131	1.864	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CH)(OH)(H)	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HO)(C[6]C[6]H)(O)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CH)(OH)(H){3|C<3>,3|H<1>}	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HO)(C[6]C[6]H)(O){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	105.5000	0.000	1	105.5000	0.000	1	105.5000	0.000	1	108.8131	1.864	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]C)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]C)(H){1|C<4>,2|C<3>,2|F<1>,4|H<1>}	H(C[6]C[6]2O)	110.2470	0.000	1	110.2470	0.000	1	109.1125	1.224	4	108.8131	1.864	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]S)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]S)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2O)	109.0380	0.000	1	109.0380	0.000	1	109.1125	1.224	4	108.8131	1.864	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OSi)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]C)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OSi)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]C)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2O)	107.6290	0.000	1	107.6290	0.000	1	109.1125	1.224	4	108.8131	1.864	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OSi)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OSi)(H){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2O)	109.5360	0.000	1	109.5360	0.000	1	109.1125	1.224	4	108.8131	1.864	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]N[5,6]HN)(C[6]C[6]HO)(OH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(NCH)(H)	H(C[6]C[6]2O)	C[6](C[6]N[5,6]HN)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(NCH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.0560	0.000	1	109.0560	0.000	1	109.0560	0.000	1	108.8131	1.864	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]N[6]CH)(OH)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]HO)(COO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HO)(C[6]N[6]CH)(OH)(H){3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HO)(COO)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2O)	108.9010	0.000	1	108.9010	0.000	1	108.9010	0.000	1	108.8131	1.864	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]HH)(SC)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]H)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]HH)(SC)(H){1|H<1>,1|S<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]H)(H){1|N<3>,1|S<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2S)	109.5925	0.228	2	109.5925	0.052	2	109.5925	0.052	2	108.8131	1.864	24	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:3:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6,6a]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]CO)(C[6]C[6]HO)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	H(C[6]C[6]2O)	109.1150	0.000	1	109.1150	0.000	1	109.1150	0.000	1	109.1150	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:3:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(COO)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(COO)2{1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2O)	109.7520	0.000	1	109.7520	0.000	1	109.7520	0.000	1	108.7770	1.901	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:3:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(OH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(CCH)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(OH)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(CCH){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2O)	107.8020	0.000	1	107.8020	0.000	1	107.8020	0.000	1	108.7770	1.901	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CN)(H)	C[6](C[6]C[3,6]O)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CN)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[3,6]O)(C[6]C[6]CH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	109.0240	0.000	1	109.0240	0.000	1	109.0240	0.000	1	108.9915	0.606	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NC)(H)	C[6](N[6]In[6]C[6])(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NC)(H){1|In<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](N[6]In[6]C[6])(C[6]C[6]HH)(C[6]C[6]HN)(H){2|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6]2N)	109.0390	0.000	1	109.0390	0.000	1	109.0390	0.000	1	108.9915	0.606	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HO)(C[6]N[6]HH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,1|N<4>,4|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HO)(C[6]N[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2O)	110.2390	0.000	1	110.2390	0.000	1	109.5867	0.326	3	108.9915	0.606	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]2O)	109.1770	0.000	1	109.1770	0.000	1	109.5867	0.326	3	108.9915	0.606	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)2(OH)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(C[6]N[6]CH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5a]C[6]H)2(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(C[6]N[6]CH)(H){1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6]2O)	109.3440	0.000	1	109.3440	0.000	1	109.5867	0.326	3	108.9915	0.606	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(H){3|H<1>,4|C<4>}	H(C[6]C[6]2O)	108.3940	0.000	1	108.3940	0.000	1	108.3940	0.000	1	108.9915	0.606	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6]O[6]CC)(OH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(NCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HN)(C[6]O[6]CC)(OH)(H){2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(NCHH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2O)	109.0880	0.000	1	109.0880	0.000	1	109.0880	0.000	1	108.9915	0.606	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2O)	108.8000	0.000	1	108.8000	0.000	1	108.7972	0.045	4	108.9915	0.606	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HN)(OP)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CN[5]HH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HN)(OP)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CN[5]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2O)	108.4960	0.000	1	108.4960	0.000	1	108.7972	0.045	4	108.9915	0.606	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(OH)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCHO)(H){1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2O)	108.9680	0.000	1	108.9680	0.000	1	108.7972	0.045	4	108.9915	0.606	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(OH)(H){1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(H){1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2O)	108.9250	0.000	1	108.9250	0.000	1	108.7972	0.045	4	108.9915	0.606	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2O)	108.0490	0.081	2	108.0490	0.006	2	108.0310	0.393	7	108.9915	0.606	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2O)	108.1800	0.000	1	108.1800	0.000	1	108.0310	0.393	7	108.9915	0.606	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2O)	107.7767	0.949	3	107.7767	0.901	3	108.0310	0.393	7	108.9915	0.606	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2O)	108.6090	0.000	1	108.6090	0.000	1	108.0310	0.393	7	108.9915	0.606	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]2H)(OC)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]2C)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]2H)(OC)(H){2|C<3>,5|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]2C)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2O)	107.3420	0.000	1	107.3420	0.000	1	107.3420	0.000	1	108.9915	0.606	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(OH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2O)	109.0130	0.000	1	109.0130	0.000	1	109.0483	0.518	20	108.9915	0.606	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(OH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(OH)(H){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2O)	108.7490	0.000	1	108.7490	0.000	1	109.0483	0.518	20	108.9915	0.606	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(OS)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(OS)(H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HO)(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2O)	110.3080	0.000	1	110.2160	0.017	2	109.0483	0.518	20	108.9915	0.606	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(OS)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(OS)(H){1|F<1>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HO)(H){1|F<1>,3|C<3>,4|H<1>}	H(C[6]C[6]2O)	110.1240	0.000	1	110.2160	0.017	2	109.0483	0.518	20	108.9915	0.606	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2O)	109.6910	0.000	1	109.6910	0.000	1	109.0483	0.518	20	108.9915	0.606	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2O)	109.2082	0.635	6	109.2082	0.403	6	109.0483	0.518	20	108.9915	0.606	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC[6])(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2O)	109.0757	0.235	3	109.0757	0.055	3	109.0483	0.518	20	108.9915	0.606	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]2O)	108.0480	0.045	2	108.2788	0.328	4	109.0483	0.518	20	108.9915	0.606	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2O)	108.5095	0.876	2	108.2788	0.328	4	109.0483	0.518	20	108.9915	0.606	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(OH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<3>,2|O<2>,5|H<1>}	H(C[6]C[6]2O)	108.7445	0.882	2	108.7445	0.778	2	109.0483	0.518	20	108.9915	0.606	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]HH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]HH)(H){1|C<4>,2|C<3>,2|F<1>,4|H<1>}	H(C[6]C[6]2O)	109.3660	0.000	1	109.3660	0.000	1	109.3660	0.000	1	108.9915	0.606	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]CH)(C[6]C[6]HO)(OH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]N[5,6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(CHHO)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	107.7810	0.000	1	107.7810	0.000	1	107.7810	0.000	1	108.9915	0.606	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OB[5])(H)	C[6](N[5]B[5]C[5])(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OB[5])(H){1|B<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](N[5]B[5]C[5])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	H(C[6]C[6]2O)	109.7415	0.117	4	109.7415	0.014	4	109.4929	0.879	7	108.9915	0.606	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OC)(H)	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2O)	110.0335	0.303	2	110.0335	0.092	2	109.4929	0.879	7	108.9915	0.606	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OH)(H)	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2O)	107.4170	0.000	1	107.4170	0.000	1	109.4929	0.879	7	108.9915	0.606	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[5a,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]N[5a,6]CH)(C[6]C[6]HH)(OH)(H){1|O<1>,2|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2O)	108.8560	0.184	2	108.8560	0.034	2	108.8258	0.239	5	108.9915	0.606	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[5a,6]CH)(C[6]C[6]HO)(OH)(H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]N[5a,6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HO)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[6]C[6]2O)	109.1825	0.260	2	109.1825	0.067	2	108.8258	0.239	5	108.9915	0.606	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[5a,6]CH)(C[6]S[6]HH)(OH)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HO)(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]N[5a,6]CH)(C[6]S[6]HH)(OH)(H){2|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HO)(CCHH)(H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2O)	108.0520	0.000	1	108.0520	0.000	1	108.8258	0.239	5	108.9915	0.606	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2O)	109.3635	0.141	2	109.3635	0.020	2	109.3635	0.020	2	108.9915	0.606	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(OC)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CHHO)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.8787	0.198	3	109.8787	0.039	3	109.8787	0.039	3	108.9915	0.606	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(OC)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6,6]C)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.0400	0.000	1	109.0400	0.000	1	109.3407	0.056	4	108.9915	0.606	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(OH)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(OH)(H){1|C<4>,2|C<3>}	C[6](N[6]C[6,6]C)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.3710	0.137	2	109.3710	0.019	2	109.3407	0.056	4	108.9915	0.606	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	C[6](N[6]C[6a]N[6])(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6a]N[6])(C[6]C[6]HO)(CH3)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2O)	109.5810	0.000	1	109.5810	0.000	1	109.3407	0.056	4	108.9915	0.606	62	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5a]C[6]O)(C[6]C[6]CH)(OH)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CC)(C[6]C[6]HO)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]CH)(OH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CC)(C[6]C[6]HO)(OH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6]2O)	109.1155	0.152	2	109.1155	0.023	2	108.9125	0.066	4	108.6362	2.658	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(OH)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	H(C[6]C[6]2O)	108.7095	0.103	2	108.7095	0.011	2	108.9125	0.066	4	108.6362	2.658	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(OH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2O)	109.2300	0.000	1	109.2300	0.000	1	109.2300	0.000	1	108.6362	2.658	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(CH3)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CO)(OH)(H){1|O<1>,2|C<3>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(CH3)(OH){2|C<3>,2|H<1>}	H(C[6]C[6]2O)	108.3550	0.628	4	108.3550	0.395	4	108.3550	0.395	4	108.6362	2.658	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(OC)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2O)	111.7380	0.000	1	110.4820	3.155	2	110.1277	1.954	3	108.6362	2.658	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(OC)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OH){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2O)	109.2260	0.000	1	110.4820	3.155	2	110.1277	1.954	3	108.6362	2.658	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(ON[5])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(ON[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2O)	109.4190	0.000	1	109.4190	0.000	1	110.1277	1.954	3	108.6362	2.658	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[6,6]-3:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]N[6,6]CO)(C[6]N[6]CC)(OH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH)	H(C[6]C[6]2O)	C[6](C[6]N[6,6]CO)(C[6]N[6]CC)(OH)(H){1|H<1>,2|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[6]2O)	111.7190	0.000	1	107.7093	12.105	3	107.7093	12.105	3	108.6362	2.658	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[6,6]-3:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]N[6,6]CO)(C[6]N[6]CC)(OH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH)	H(C[6]C[6]2O)	C[6](C[6]N[6,6]CO)(C[6]N[6]CC)(OH)(H){1|H<1>,2|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]2O)	105.4870	0.000	1	107.7093	12.105	3	107.7093	12.105	3	108.6362	2.658	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[6,6]-3:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]N[6,6]CO)(C[6]N[6]CC)(OH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH)	H(C[6]C[6]2O)	C[6](C[6]N[6,6]CO)(C[6]N[6]CC)(OH)(H){2|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6]2O)	105.9220	0.000	1	107.7093	12.105	3	107.7093	12.105	3	108.6362	2.658	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CC)(SC[6a])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HS)(OH)	H(C[6]C[6]2S)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CC)(SC[6a])(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HS)(OH){2|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6]2S)	107.5025	0.484	2	107.5025	0.235	2	107.5025	0.235	2	108.6362	2.658	17	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(NN)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(CC[6a]O)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(NN)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(CC[6a]O){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2N)	108.9990	0.000	1	108.9990	0.000	1	108.9990	0.000	1	107.9113	4.723	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(COO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(COO){1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.2900	0.000	1	109.2900	0.000	1	109.2900	0.000	1	107.9113	4.723	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)(CCH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	107.4610	1.424	2	107.4610	2.028	2	107.4610	2.028	2	107.9113	4.723	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	N[6]-3:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]N[6,6]CO)(C[6]N[6]CC)(OH)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HO)(CH3)(COO)	H(C[6]C[6]2O)	C[6](C[6]N[6,6]CO)(C[6]N[6]CC)(OH)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6,6]H)(C[6]C[6]HO)(CH3)(COO){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	H(C[6]C[6]2O)	107.1285	4.108	2	107.1285	16.872	2	107.1285	16.872	2	107.9113	4.723	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[5]C[5]N[5])(C[6]C[6]CH)(C[6]C[6]HO)(CCHH)	H(C[6]C[6]2O)	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(OH)(H){1|N<2>,2|H<1>,4|C<4>}	C[6](C[5]C[5]N[5])(C[6]C[6]CH)(C[6]C[6]HO)(CCHH){1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2O)	108.1720	0.000	1	108.1720	0.000	1	108.1720	0.000	1	108.7342	0.284	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2{3|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.3000	0.000	1	109.3000	0.000	1	108.9594	0.145	14	108.7342	0.284	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[6])(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.3770	0.000	1	109.3770	0.000	1	108.9594	0.145	14	108.7342	0.284	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2{3|C<4>,4|H<1>}	H(C[6]C[6]2O)	107.9680	0.000	1	107.9680	0.000	1	108.9594	0.145	14	108.7342	0.284	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.9806	0.247	11	108.9806	0.061	11	108.9594	0.145	14	108.7342	0.284	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2O)	107.6120	0.000	1	107.6120	0.000	1	107.6120	0.000	1	108.7342	0.284	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2O)	108.1645	0.426	2	108.1645	0.182	2	108.2447	0.110	3	108.7342	0.284	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OSi)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2O)	108.4050	0.000	1	108.4050	0.000	1	108.2447	0.110	3	108.7342	0.284	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[3]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[3]C[3]N[3]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6](C[6]C[3]O[6]H)(O[6]C[6])(H)2	H(C[6]C[3]C[6]O[6])	C[6](C[3]C[3]N[3]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[3]O[6]H)(O[6]C[6])(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<4>}	H(C[6]C[3]C[6]O[6])	109.7590	0.000	1	109.7590	0.000	1	109.7590	0.000	1	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]N[4]C)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[4,6]HO)(O[6]C[6])(H)2	H(C[6]C[4,6]C[6]O)	C[6](C[4,6]C[4,6]N[4]C)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[4,6]HO)(O[6]C[6])(H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[4,6]C[6]O)	109.0660	0.000	1	109.0660	0.000	1	109.0660	0.000	1	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,3x6]C[5]C[6])(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[5,6,6]HO)(O[6]C[6,6])(H)2	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,3x6]C[5]C[6])(C[6]O[6]HH)(OC)(H){1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HO)(O[6]C[6,6])(H)2{1|H<1>,4|C<4>}	H(C[6]C[5,6,6]C[6]O)	109.3140	0.000	1	109.3140	0.000	1	109.7900	0.172	3	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[5,6,6]HO)(O[6]C[6])(H)2	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]O[6]HH)(OH)(H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6,6]HO)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[5,6,6]C[6]O)	110.0280	0.061	2	110.0280	0.004	2	109.7900	0.172	3	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(N[6]C[6])(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(N[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[5,6]C[6]O)	107.1100	0.000	1	107.1100	0.000	1	107.1100	0.000	1	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]S[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(S[6]C[5,6])(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]S[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]HO)(S[6]C[5,6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]O)	108.4037	0.641	3	108.4037	0.410	3	108.0482	0.779	4	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]S[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(S[6]As[5,6])(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]S[6]HH)(OH)(H){1|As<3>,1|S<2>,2|H<1>}	C[6](C[6]C[5,6]HO)(S[6]As[5,6])(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<2>}	H(C[6]C[5,6]C[6]O)	106.9820	0.000	1	106.9820	0.000	1	108.0482	0.779	4	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]N[5]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6](C[6]C[5]O[6]H)(O[6]C[6])(H)2	H(C[6]C[5]C[6]O[6])	C[6](C[5]C[5]N[5]H)(C[6]O[6]HH)(O[6]C[6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5]O[6]H)(O[6]C[6])(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<4>}	H(C[6]C[5]C[6]O[6])	108.8610	0.000	1	108.8610	0.000	1	108.8610	0.000	1	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(O[6]C[5,6,6])(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]O[6]HH)(OC)(H){1|H<1>,1|O<2>,1|S<4>,2|C<4>}	C[6](C[6]C[6,6]HO)(O[6]C[5,6,6])(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6,6]C[6]O)	107.7285	0.941	2	107.7285	0.886	2	108.5478	0.682	6	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]N[6]H)(C[6]O[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]O)	108.8187	0.372	3	108.8187	0.138	3	108.5478	0.682	6	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]HH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6,6]C[6]O)	109.3740	0.000	1	109.3740	0.000	1	108.5478	0.682	6	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(CC[6a]2O)(O[6]C[6])(H)	C[6](C[6]O[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]HH)(CC[6a]2O)(O[6]C[6])(H){1|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(O[6]C[6])(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	107.2980	0.000	1	107.2980	0.000	1	107.9302	2.534	6	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(CC[6a]CO)(O[6]C[6])(H)	C[6](C[6]O[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]HH)(CC[6a]CO)(O[6]C[6])(H){1|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(O[6]C[6])(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	109.1690	0.000	1	109.1690	0.000	1	107.9302	2.534	6	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(CN[5a]HH)(O[6]C[6])(H)	C[6](C[6]O[6]CH)(O[6]P[6])(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]HH)(CN[5a]HH)(O[6]C[6])(H){1|P<4>,2|H<1>}	C[6](C[6]O[6]CH)(O[6]P[6])(H)2{1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6]O[6]C)	107.0983	1.596	3	107.0983	2.546	3	107.9302	2.534	6	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(CN[6a]HH)(O[6]C[6])(H)	C[6](C[6]O[6]CH)(O[6]P[6])(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]HH)(CN[6a]HH)(O[6]C[6])(H){1|P<4>,2|H<1>}	C[6](C[6]O[6]CH)(O[6]P[6])(H)2{1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.8190	0.000	1	109.8190	0.000	1	107.9302	2.534	6	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NC)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(H)2	H(C[6]C[6]2N)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NC)(H){1|C<4>}	C[6](C[6]C[6]HN)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2N)	110.1950	0.000	1	110.1950	0.000	1	110.1950	0.000	1	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6])(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(N[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	105.8800	0.000	1	105.8800	0.000	1	105.8800	0.000	1	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(C)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(C)(H){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]2O)	110.3390	0.000	1	110.3390	0.000	1	110.3390	0.000	1	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]FF)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(F)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]FF)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(F)2{1|C<4>,1|F<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.1430	0.000	1	110.1430	0.000	1	110.1430	0.000	1	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.4945	0.091	2	109.8170	0.343	4	109.8574	0.266	5	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	H(C[6]C[6]2O)	110.6900	0.000	1	109.8170	0.343	4	109.8574	0.266	5	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.5890	0.000	1	109.8170	0.343	4	109.8574	0.266	5	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.0190	0.000	1	110.0190	0.000	1	109.8574	0.266	5	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[3]O[6]H)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]Si[6])(H)2	H(C[6]C[6]2O)	C[6](C[6]C[3]O[6]H)(C[6]O[6]HH)(OC)(H){1|Si<4>,1|C<4>,1|N<2>}	C[6](C[6]C[6]HO)(O[6]Si[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	108.9120	0.000	2	108.9120	0.000	2	109.4086	1.031	102	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5]C[6]H)(C[6]O[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.9030	0.000	1	108.9030	0.000	1	109.4086	1.031	102	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.2685	0.400	2	109.2685	0.160	2	109.4086	1.031	102	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.5080	0.946	2	108.5080	0.895	2	109.4086	1.031	102	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[5,6])(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[5,6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	107.3890	2.138	2	107.3890	4.572	2	109.4086	1.031	102	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(OS)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(OS)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	110.3780	0.000	1	110.8197	2.309	3	109.4086	1.031	102	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(OS)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(OS)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{2|C<3>,3|H<1>}	H(C[6]C[6]2O)	111.0405	2.080	2	110.8197	2.309	3	109.4086	1.031	102	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[5,6])(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(O[6]C[5,6])(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2O)	110.0660	0.000	1	110.0660	0.000	1	109.4086	1.031	102	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	107.0700	0.000	1	110.0501	0.887	19	109.4086	1.031	102	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.2140	0.000	1	110.0501	0.887	19	109.4086	1.031	102	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.8765	0.374	2	110.0501	0.887	19	109.4086	1.031	102	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.2802	0.628	6	110.0501	0.887	19	109.4086	1.031	102	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	110.1681	0.732	8	110.0501	0.887	19	109.4086	1.031	102	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2O)	110.8880	0.000	1	110.0501	0.887	19	109.4086	1.031	102	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.5675	0.112	2	109.5675	0.013	2	109.4086	1.031	102	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2O)	108.9100	0.000	1	108.9100	0.000	1	109.4086	1.031	102	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.6980	0.000	1	109.1832	0.526	41	109.4086	1.031	102	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.1130	0.000	1	109.1832	0.526	41	109.4086	1.031	102	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<4>,1|N<3>,1|O<3>,2|H<1>}	H(C[6]C[6]2O)	108.2507	0.131	3	109.1832	0.526	41	109.4086	1.031	102	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]2O)	109.6550	0.000	1	109.1832	0.526	41	109.4086	1.031	102	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.0751	0.791	8	109.1832	0.526	41	109.4086	1.031	102	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2O)	109.5171	0.745	17	109.1832	0.526	41	109.4086	1.031	102	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.6715	0.614	2	109.1832	0.526	41	109.4086	1.031	102	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.3526	0.323	5	109.1832	0.526	41	109.4086	1.031	102	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2O)	108.3010	0.000	1	109.1832	0.526	41	109.4086	1.031	102	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){3|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.7475	0.243	2	109.1832	0.526	41	109.4086	1.031	102	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]O[6]H)(C[6]O[6]HH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.3900	0.000	1	110.3900	0.000	1	109.4086	1.031	102	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]O[6]H)(C[6]O[6]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.6060	0.000	1	108.6060	0.000	1	109.4086	1.031	102	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.8380	0.891	2	108.8380	0.794	2	109.4086	1.031	102	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]S[6])(H)2	H(C[6]C[6]2O)	C[6](C[6]N[6]CH)(C[6]O[6]HH)(OC)(H){1|H<1>,1|S<4>}	C[6](C[6]C[6]HO)(O[6]S[6])(H)2{1|C<4>,1|H<1>,1|N<3>,2|O<1>}	H(C[6]C[6]2O)	109.6165	0.520	2	109.6165	0.270	2	109.4086	1.031	102	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]CC)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]2O)	C[6](C[6]O[6]CC)(C[6]O[6]HH)(OC)(H){1|C<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	109.3053	1.577	4	109.3053	2.488	4	109.4086	1.031	102	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC)(H){1|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.2530	0.000	1	110.6650	0.339	2	109.4086	1.031	102	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC)(H){1|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	111.0770	0.000	1	110.6650	0.339	2	109.4086	1.031	102	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC[6])(H){1|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.6920	0.000	1	108.6920	0.000	1	109.4086	1.031	102	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OH)(H){1|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.8840	0.000	1	108.8110	2.303	2	109.4086	1.031	102	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OH)(H){1|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2O)	107.7380	0.000	1	108.8110	2.303	2	109.4086	1.031	102	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)2(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]2O)	C[6](C[6]O[6]HH)2(OC)(H){1|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.5990	2.215	2	109.5990	4.905	2	109.4086	1.031	102	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]2O)	C[6](C[6]O[6]HH)2(OH)(H){1|C<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.1423	1.355	4	109.4024	0.851	9	109.4086	1.031	102	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]2O)	C[6](C[6]O[6]HH)2(OH)(H){1|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.6106	0.450	5	109.4024	0.851	9	109.4086	1.031	102	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:I-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HI)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)(I)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HI)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)(I){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.6310	0.000	2	108.6310	0.000	2	108.6310	0.000	2	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]S[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(S[6]C[6])(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]S[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(S[6]C[6])(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2O)	106.8870	0.000	1	106.8870	0.000	1	107.8203	0.740	9	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]S[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(S[6]C[6])(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]S[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(S[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	107.7415	0.470	2	107.7415	0.221	2	107.8203	0.740	9	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(S[6]C[5,6])(H)2	H(C[6]C[6]2O)	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(OH)(H){1|C<3>,1|N<2>}	C[6](C[6]C[6]HO)(S[6]C[5,6])(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2O)	108.6325	0.781	2	108.3544	0.223	5	107.8203	0.740	9	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(S[6]C[5,6])(H)2	H(C[6]C[6]2O)	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(OH)(H){2|C<3>}	C[6](C[6]C[6]HO)(S[6]C[5,6])(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2O)	108.1690	0.110	3	108.3544	0.223	5	107.8203	0.740	9	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]CC)(C[6]S[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(S[6]C[6])(H)2	H(C[6]C[6]2O)	C[6](C[6]N[6]CC)(C[6]S[6]HH)(OH)(H){1|C<4>,1|S<4>}	C[6](C[6]C[6]HO)(S[6]C[6])(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]2O)	106.2410	0.000	1	106.2410	0.000	1	107.8203	0.740	9	109.1614	1.331	145	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(CC)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(O[6]C[6])(CC)(H){1|C<2>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[5,6]C[6]O)	110.0940	0.000	1	110.0940	0.000	1	110.0940	0.000	1	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(O[6]C[5,6])(OC)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(O[6]C[5,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]O)	108.7883	0.338	4	108.7883	0.114	4	109.2194	0.417	18	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,1|P<4>}	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]O)	109.5640	0.000	1	109.7922	0.569	5	109.2194	0.417	18	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]O)	109.1150	0.194	2	109.7922	0.569	5	109.2194	0.417	18	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]O)	110.5835	0.128	2	109.7922	0.569	5	109.2194	0.417	18	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC[6])(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC[6])(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]O)	109.6120	0.000	1	109.6120	0.000	1	109.2194	0.417	18	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]O)	108.6450	0.000	1	108.6635	0.001	2	109.2194	0.417	18	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]O)	108.6820	0.000	1	108.6635	0.001	2	109.2194	0.417	18	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC[4])(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC[4])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]O)	109.2823	0.654	3	109.2823	0.428	3	109.2194	0.417	18	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC[6a])(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]O)	109.1925	0.378	2	109.1925	0.143	2	109.2194	0.417	18	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(O[6]C[6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]O)	108.6640	0.000	1	108.6640	0.000	1	109.2194	0.417	18	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HS)(OH)(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(SC[6a])(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HS)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(O[6]C[6])(SC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]O)	109.3753	0.283	3	109.3753	0.080	3	109.3753	0.080	3	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6,6]-4:C[6]-4:N-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(NN)(H)	C[6](C[6]C[6,6]HN)(O[6]C[6])(OC)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]N)	107.0805	0.196	2	107.0805	0.038	2	107.0805	0.038	2	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]HO)(OC)(H){1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	108.8580	0.000	1	108.8580	0.000	1	109.6960	0.362	4	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(O[6]C[6])(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	109.8865	0.322	2	109.8865	0.104	2	109.6960	0.362	4	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(OS)(H)	C[6](C[6]C[6,6]HO)(O[6]C[6])(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(OS)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	110.1530	0.000	1	110.1530	0.000	1	109.6960	0.362	4	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HS)(OH)(H)	C[6](C[6]C[6,6]HO)(O[6]C[6])(SC[6a])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HS)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HO)(O[6]C[6])(SC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	109.3790	0.000	1	109.3790	0.000	1	109.3790	0.000	1	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]HO)(HC)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(HC)(H){1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.9550	0.000	1	109.9550	0.000	1	109.9550	0.000	1	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NN)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(NN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(NN)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	108.0370	0.000	1	108.0370	0.000	1	108.0370	0.000	1	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NN)(H)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	109.6195	0.012	2	109.8623	0.177	3	108.9132	2.338	12	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NN)(H)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	110.3480	0.000	1	109.8623	0.177	3	108.9132	2.338	12	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NN)(H)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	107.7420	2.910	3	107.7420	8.468	3	108.9132	2.338	12	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NC)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NC)(H){1|C<4>,1|H<1>,1|I<1>}	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	109.4690	0.000	1	108.9117	0.592	3	108.9132	2.338	12	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NC)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	108.6330	0.847	2	108.9117	0.592	3	108.9132	2.338	12	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NN)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(OC[6])(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	108.9640	0.000	1	108.9640	0.000	1	108.9132	2.338	12	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NN)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(ON)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(ON)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	109.2230	0.478	2	109.2230	0.228	2	108.9132	2.338	12	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NN)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(SC[6a])(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(SC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	108.4220	0.000	1	108.4220	0.000	1	108.4220	0.000	1	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HW)(C[6]N[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6])(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HW)(C[6]N[6]HO)(OC)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6])(OC)(H){1|C<4>,1|H<1>,1|O<2>,1|W<7>}	H(C[6]C[6]2O)	109.7130	0.000	1	109.7130	0.000	1	109.7130	0.000	1	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.2650	0.000	1	110.2650	0.000	1	110.2650	0.000	1	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(NC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(NC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	106.7360	0.000	1	106.7360	0.000	1	109.8803	1.399	16	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(NC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.2480	0.859	6	110.2480	0.739	6	109.8803	1.399	16	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[5])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(NC[5])(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.4220	0.000	1	109.4220	0.000	1	109.8803	1.399	16	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.9455	1.360	2	110.0549	0.877	8	109.8803	1.399	16	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	110.5110	0.000	1	110.0549	0.877	8	109.8803	1.399	16	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.4074	0.499	5	110.0549	0.877	8	109.8803	1.399	16	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[4,6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[4,6])(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[4,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[4,6])(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.3522	0.220	4	110.3522	0.048	4	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H){1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.0050	0.000	1	109.0050	0.000	1	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.4922	0.806	12	108.4922	0.650	12	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC[5])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.0730	0.116	2	109.0730	0.013	2	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.1590	0.544	2	109.1590	0.296	2	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.8370	0.000	1	108.8370	0.000	1	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OS)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.6740	0.000	1	110.6740	0.000	1	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OC)(H){1|C<4>,2|F<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|H<1>,2|C<4>,2|F<1>}	H(C[6]C[6]2O)	110.0490	0.040	2	110.0490	0.002	2	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OH)(H){1|C<4>,2|F<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|H<1>,2|C<4>,2|F<1>}	H(C[6]C[6]2O)	110.1423	0.098	3	110.1423	0.010	3	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OH)(H){1|C<4>,2|F<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H){1|H<1>,2|C<4>,2|F<1>}	H(C[6]C[6]2O)	108.1250	2.032	2	108.1250	4.130	2	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)(C[6]O[6]HO)(OH)(H){1|C<4>,1|F<1>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H){1|F<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.6820	0.000	1	109.6665	0.000	2	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H){1|F<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.6510	0.000	1	109.6665	0.000	2	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.8130	0.000	1	109.8130	0.000	1	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.9250	0.000	1	109.9250	0.000	1	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.4900	0.000	1	110.4900	0.000	1	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.3990	0.000	1	109.2633	0.198	6	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.4130	0.863	2	109.2633	0.198	6	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.1183	0.243	3	109.2633	0.198	6	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[3,6])(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[3,6])(OC)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2O)	108.2970	0.000	1	108.2970	0.000	1	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.7800	0.000	1	109.8258	0.803	47	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.2470	1.209	4	109.8258	0.803	47	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	110.7860	0.095	2	109.8258	0.803	47	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.8273	0.860	39	109.8258	0.803	47	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|O<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.2070	0.000	1	109.8258	0.803	47	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[3x6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[3x6])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.9750	0.000	1	108.9750	0.000	1	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.3928	0.474	4	109.4474	0.242	7	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|Cl<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.5203	0.613	3	109.4474	0.242	7	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5a])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5a])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.5073	0.143	3	110.5073	0.020	3	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.2300	0.000	1	108.8626	1.462	38	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.4470	0.000	1	108.8626	1.462	38	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.7988	1.283	32	108.8626	1.462	38	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.3850	0.608	4	108.8626	1.462	38	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.1940	0.000	1	109.8527	0.386	25	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.8385	0.631	24	109.8527	0.386	25	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(ON)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(ON)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	111.5095	1.598	4	111.5095	2.553	4	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(ON[5])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(ON[5])(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	110.0790	0.973	2	110.0790	0.947	2	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.5500	0.264	2	109.8385	0.931	6	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.4827	1.011	4	109.8385	0.931	6	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5,6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5,6])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.4730	0.000	1	109.4730	0.000	1	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.0665	0.108	2	110.1257	0.016	3	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.2440	0.000	1	110.1257	0.016	3	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.8205	1.677	2	109.8205	2.811	2	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	107.9350	0.000	1	108.5232	1.052	59	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.5700	2.114	2	108.5232	1.052	59	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.3765	0.835	10	108.5232	1.052	59	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.5736	1.031	44	108.5232	1.052	59	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,2|F<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.7900	0.000	1	108.5232	1.052	59	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	107.0000	0.000	1	108.5232	1.052	59	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5,5])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5,5])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.8160	0.000	1	109.8160	0.000	1	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|Br<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.5390	0.000	1	108.9284	0.810	13	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|F<1>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.1670	0.000	1	108.9284	0.810	13	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.9490	0.000	1	108.9284	0.810	13	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.9919	0.987	7	108.9284	0.810	13	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|Cl<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.4903	1.004	3	108.9284	0.810	13	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.8810	0.000	1	108.6295	1.312	105	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	107.9100	0.494	2	108.6295	1.312	105	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.4360	0.000	1	108.6295	1.312	105	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.6333	1.156	101	108.6295	1.312	105	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	104.9590	0.000	1	109.2238	1.561	51	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2O)	109.5170	0.000	1	109.2238	1.561	51	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.6920	0.000	1	109.2238	1.561	51	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.3176	1.121	48	109.2238	1.561	51	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	107.9780	1.952	39	107.9780	3.809	39	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OS)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.5060	0.000	1	110.5060	0.000	1	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OSi)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.2343	0.183	3	109.2343	0.033	3	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HS)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HS)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.8140	0.048	2	108.8140	0.002	2	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]N[6])(OC[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(OC)(H){1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]HO)(O[6]N[6])(OC[6])(H){1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6]2O)	109.4710	0.000	1	109.4710	0.000	1	109.0054	1.666	456	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6]O[6]HS)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(SC[6a])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HN)(C[6]O[6]HS)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(SC[6a])(H){1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.1710	0.000	1	109.1710	0.000	1	109.7379	1.031	42	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(SC[6a])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(SC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.7320	0.000	1	108.7320	0.000	1	109.7379	1.031	42	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.8894	1.385	12	109.8894	1.918	12	109.7379	1.031	42	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(SC[5])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(SC[5])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.3620	0.000	1	110.3620	0.000	1	109.7379	1.031	42	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(SC[5a])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(SC[5a])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.7687	0.294	3	109.7687	0.086	3	109.7379	1.031	42	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(SC[6a])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(SC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.4955	0.674	6	110.4955	0.454	6	109.7379	1.031	42	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(SS)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(SS)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.3030	0.341	4	110.3030	0.116	4	109.7379	1.031	42	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.1275	0.142	2	109.1275	0.366	4	109.7379	1.031	42	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.1275	1.039	2	109.1275	0.366	4	109.7379	1.031	42	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(SC[6a])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(SC[6a])(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	110.0400	0.000	1	109.6947	0.097	4	109.7379	1.031	42	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(SC[6a])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(SC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.5797	0.256	3	109.6947	0.097	4	109.7379	1.031	42	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(SPt)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(SPt)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.5852	0.662	5	108.5852	0.438	5	109.7379	1.031	42	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OSi)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.3460	0.000	1	110.3460	0.000	1	109.7379	1.031	42	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:Se-2:H-1:	C[6]-4:	C[6](C[6]O[6]SeH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(SeC)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]SeH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(SeC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.4350	0.000	1	109.4350	0.000	1	109.4350	0.000	1	109.0960	1.611	561	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6])(COO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(N[6]C[6])(COO)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	110.2150	0.000	1	110.2150	0.000	1	110.2150	0.000	1	109.3841	2.076	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.8210	0.000	1	109.8210	0.000	1	109.5401	2.794	23	109.3841	2.076	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCC)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	112.2530	0.000	1	112.2530	0.000	1	109.5401	2.794	23	109.3841	2.076	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2O)	109.3170	0.000	1	109.3170	0.000	1	109.5401	2.794	23	109.3841	2.076	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHN)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHN)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.1160	0.000	1	109.1160	0.000	1	109.5401	2.794	23	109.3841	2.076	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CNO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CNO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	110.1020	0.000	1	110.1020	0.000	1	109.5401	2.794	23	109.3841	2.076	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H){1|C<4>,1|I<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.3710	0.000	2	110.1520	1.262	8	109.5401	2.794	23	109.3841	2.076	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.0865	1.781	2	110.1520	1.262	8	109.5401	2.794	23	109.3841	2.076	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	110.6977	1.096	3	110.1520	1.262	8	109.5401	2.794	23	109.3841	2.076	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H){1|Se<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.2080	0.000	1	110.1520	1.262	8	109.5401	2.794	23	109.3841	2.076	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	110.1050	0.000	1	110.1050	0.000	1	109.5401	2.794	23	109.3841	2.076	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	110.1860	0.000	1	110.1860	0.000	1	109.5401	2.794	23	109.3841	2.076	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CNO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CNO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.2870	0.000	1	109.2870	0.000	1	109.5401	2.794	23	109.3841	2.076	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.9910	0.000	1	107.9545	5.042	6	109.5401	2.794	23	109.3841	2.076	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	107.5472	2.249	5	107.9545	5.042	6	109.5401	2.794	23	109.3841	2.076	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCH)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC)(H){1|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	110.2930	0.000	1	110.2930	0.000	1	109.5401	2.794	23	109.3841	2.076	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OCu)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(NCuC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OCu)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(NCuC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.9030	0.000	1	108.9030	0.000	1	109.2562	1.858	32	109.3841	2.076	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(NCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.5680	0.000	1	108.5680	0.000	1	109.2562	1.858	32	109.3841	2.076	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(NC[6a]H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(NC[6a]H)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.1810	0.000	1	108.1810	0.000	1	109.2562	1.858	32	109.3841	2.076	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(NCC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	111.1710	0.000	1	111.1710	0.000	1	109.2562	1.858	32	109.3841	2.076	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.8230	0.919	3	109.8611	0.428	9	109.2562	1.858	32	109.3841	2.076	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.8802	0.588	6	109.8611	0.428	9	109.2562	1.858	32	109.3841	2.076	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]C)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]C)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.1125	0.177	2	110.1125	0.032	2	109.2562	1.858	32	109.3841	2.076	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]H)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	110.3860	0.728	3	110.3860	0.530	3	109.2562	1.858	32	109.3841	2.076	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(NHH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.4980	0.000	1	110.4980	0.000	1	109.2562	1.858	32	109.3841	2.076	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NHS)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(NHS)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	104.2040	0.000	1	104.2040	0.000	1	109.2562	1.858	32	109.3841	2.076	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.0780	0.256	3	109.0780	0.066	3	109.2562	1.858	32	109.3841	2.076	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]C)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]C)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.6340	0.000	1	109.6340	0.000	1	109.2562	1.858	32	109.3841	2.076	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]H)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.2327	0.057	3	109.2327	0.003	3	109.2562	1.858	32	109.3841	2.076	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCuC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(NCuC)(H){1|C<4>,1|O<3>,3|H<1>}	H(C[6]C[6]2O)	107.5667	0.035	4	107.5667	0.001	4	109.2562	1.858	32	109.3841	2.076	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NHS)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(NHS)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.7070	0.000	1	109.7070	0.000	1	109.2562	1.858	32	109.3841	2.076	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:S-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OS)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(SCO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(SCO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.3510	0.245	2	109.3510	0.060	2	110.0835	0.759	4	109.3841	2.076	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:S-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OS)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(SC[3x6]O)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(SC[3x6]O)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.8160	0.267	2	110.8160	0.071	2	110.0835	0.759	4	109.3841	2.076	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]S[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(S[6]C[5,6])(CC[6a]O)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]S[6]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(S[6]C[5,6])(CC[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2O)	108.3120	0.600	2	108.3120	0.360	2	108.3427	0.183	3	109.3841	2.076	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]S[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(S[6]C[6])(COO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]S[6]CH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(S[6]C[6])(COO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.4040	0.000	1	108.4040	0.000	1	108.3427	0.183	3	109.3841	2.076	63	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:3:2:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-3:O-2:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]O[6]CO)(OC)(H)	C[6](C[6]C[5,6]HO)(O[6]C[5,6])(CC[6]H)(OH)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]O[6]CO)(OC)(H){3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(O[6]C[5,6])(CC[6]H)(OH){1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]O)	108.3750	0.049	2	108.3750	0.002	2	108.3750	0.002	2	109.3590	0.831	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:3:2:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:O[6]-2:C-3:N-2:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]CN)(NN)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(COO)(NN)	H(C[6]C[6]2N)	C[6](C[6]C[6]HN)(C[6]O[6]CN)(NN)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HN)(O[6]C[6])(COO)(NN){1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	110.1880	0.000	1	110.1880	0.000	1	110.0150	0.048	3	109.3590	0.831	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:3:2:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:O[6]-2:C-3:N-2:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CN)(NN)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(COO)(NN)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]CN)(NN)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HN)(O[6]C[6])(COO)(NN){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	110.0870	0.000	1	109.9285	0.050	2	110.0150	0.048	3	109.3590	0.831	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:3:2:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:O[6]-2:C-3:N-2:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CN)(NN)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(COO)(NN)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]CN)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(COO)(NN){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	109.7700	0.000	1	109.9285	0.050	2	110.0150	0.048	3	109.3590	0.831	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(C[6]O[6]CH)(OSi)(H)	C[6](C[6]C[3,6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3]C[6]O[3])(C[6]O[6]CH)(OSi)(H){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HO)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]O)	109.5983	0.164	3	109.5983	0.027	3	109.5983	0.027	3	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]N[4]C)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[4,6]HO)(O[6]C[6])(CCHH)(H)	H(C[6]C[4,6]C[6]O)	C[6](C[4,6]C[4,6]N[4]C)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[4,6]HO)(O[6]C[6])(CCHH)(H){1|C<2>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[4,6]C[6]O)	110.3690	0.000	2	110.3690	0.000	2	110.3690	0.000	2	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-2:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[5,6]HO)(N[6]C[6])(CHHS)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(N[6]C[6])(CHHS)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]O)	109.2660	0.000	1	109.2660	0.000	1	109.2660	0.000	1	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CH)(OC)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHO)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]O)	109.6700	0.000	1	109.6700	0.000	1	109.5346	1.031	8	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(CCHN)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]CH)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(O[6]C[6])(CCHN)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]O)	110.4770	0.000	1	110.4770	0.000	1	109.5346	1.031	8	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(CH3)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]O)	108.6195	1.653	2	108.6195	2.731	2	109.5346	1.031	8	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[5,6]C[6]O)	110.8140	0.000	1	110.8140	0.000	1	109.5346	1.031	8	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(CH3)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC[6])(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]O)	109.5075	0.202	2	109.5075	0.041	2	109.5346	1.031	8	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHI)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHI)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]O)	109.0620	0.000	1	109.0620	0.000	1	109.5346	1.031	8	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[5]C[5]N[5]H)(C[6]O[6]CH)(O[6]C[6])(H)	C[6](C[6]C[5]O[6]H)(O[6]C[6])(CCHO)(H)	H(C[6]C[5]C[6]O[6])	C[6](C[5]C[5]N[5]H)(C[6]O[6]CH)(O[6]C[6])(H){2|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[5]O[6]H)(O[6]C[6])(CCHO)(H){1|H<1>,1|N<3>,1|O<2>,3|C<4>}	H(C[6]C[5]C[6]O[6])	108.3393	0.075	3	108.3393	0.006	3	108.3393	0.006	3	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CHHO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]O)	110.5240	0.000	1	110.5240	0.000	1	109.8770	0.459	10	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]C)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CH3)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]N[6]C)(C[6]O[6]CH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6,6]C[6]O)	108.7460	0.000	1	108.7460	0.000	1	109.8770	0.459	10	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CH3)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]N[6]H)(C[6]O[6]CH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CH3)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]O)	110.1410	0.000	1	110.1410	0.000	1	109.8770	0.459	10	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6,6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]CH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6,6]C[6]O)	110.6630	0.000	1	110.6630	0.000	1	109.8770	0.459	10	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]S[6]H)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6,6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]S[6]H)(C[6]O[6]CH)(OH)(H){1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[6](C[6]C[6,6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	110.0910	0.362	2	110.0910	0.131	2	109.8770	0.459	10	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CHHO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]O)	109.9120	0.392	3	109.9120	0.154	3	109.8770	0.459	10	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6,6]HO)(O[6]C[6])(CCHH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]N[6,6]C[6]H)(C[6]O[6]CH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]O)	108.7780	0.000	1	108.7780	0.000	1	109.8770	0.459	10	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NN)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	109.8613	0.551	7	109.8613	0.304	7	109.9194	0.241	9	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NN)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NN)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	110.0910	0.000	1	110.0910	0.000	1	109.9194	0.241	9	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NC)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CCCH)(H)	H(C[6]C[6]2N)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NC)(H){1|C<4>}	C[6](C[6]C[6]HN)(O[6]C[6])(CCCH)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	110.1550	0.000	1	110.1550	0.000	1	109.9194	0.241	9	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[4,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[4,6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[4,6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[4,6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	111.1110	0.274	2	111.1110	0.075	2	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CCCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[5,6])(CCCH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	107.8180	0.000	1	107.8180	0.000	1	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.9200	0.000	1	109.6652	0.223	5	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.4040	0.000	1	109.6652	0.223	5	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]2O)	109.6180	0.000	1	109.6652	0.223	5	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.6920	0.870	2	109.6652	0.223	5	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[5,6])(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.8040	0.113	2	108.8040	0.013	2	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2O)	115.5790	0.000	3	114.0477	9.379	4	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.4540	0.000	1	114.0477	9.379	4	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.9480	0.000	1	108.9480	0.000	1	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	110.2830	0.000	1	110.2830	0.000	1	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.2500	0.000	1	109.2500	0.000	1	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.7430	0.000	1	108.7430	0.000	1	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|S<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]2O)	107.0060	0.000	1	108.9020	2.706	3	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.8500	0.143	2	108.9020	2.706	3	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.6920	0.000	1	110.3041	0.200	7	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.2850	0.000	1	110.3041	0.200	7	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<4>,1|O<2>,1|S<3>,2|H<1>}	H(C[6]C[6]2O)	110.8680	0.000	1	110.3041	0.200	7	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.0710	0.413	4	110.3041	0.200	7	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.4325	1.145	2	109.4325	1.311	2	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.3850	0.000	1	108.7685	0.494	11	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.9540	0.934	5	108.7685	0.494	11	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.8110	0.202	2	108.7685	0.494	11	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.5590	0.690	3	108.7685	0.494	11	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CCHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(OC[6])(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]HO)(O[6]C[5,6])(CCHO)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2O)	108.9250	0.000	1	108.9250	0.000	1	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CN)(C[6]O[6]CH)(OC[6])(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	108.7420	0.000	1	108.7420	0.000	1	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2O)	107.4950	0.767	3	107.4950	0.588	3	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]O[6]CH)(OH)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	107.4110	0.000	1	107.4110	0.000	1	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FF)(C[6]O[6]CH)(OC)(H){1|C<4>,2|F<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	H(C[6]C[6]2O)	109.2260	0.000	1	109.2260	0.000	1	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FF)(C[6]O[6]CH)(OH)(H){1|C<4>,2|F<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	H(C[6]C[6]2O)	109.9620	0.000	1	109.9620	0.000	1	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.1550	0.000	1	110.1550	0.000	1	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.4185	0.159	2	109.4185	0.025	2	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	111.4270	0.000	1	109.9727	1.668	3	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.2455	0.404	2	109.9727	1.668	3	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	110.0012	0.359	9	110.0012	0.129	9	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCCH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.9250	0.000	1	109.9250	0.000	1	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC[6])(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.4920	0.000	1	109.4920	0.000	1	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCCO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCCO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.0445	0.101	2	109.0445	0.010	2	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.8380	0.000	1	109.0770	0.402	5	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	109.4837	0.215	3	109.0770	0.402	5	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.0960	0.000	1	109.0770	0.402	5	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.1500	0.697	2	109.1500	0.486	2	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OS)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OS)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.3045	0.021	2	109.3045	0.000	2	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.2830	0.000	1	108.2830	0.000	1	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2O)	109.8580	0.000	1	109.7295	0.033	2	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H){2|C<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2O)	109.6010	0.000	1	109.7295	0.033	2	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CF3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CF3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.2310	0.313	2	110.2310	0.098	2	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.2870	0.000	1	109.6145	0.110	4	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.4440	0.000	1	109.6145	0.110	4	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.8635	0.265	2	109.6145	0.110	4	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	107.7660	0.000	1	108.5470	1.220	2	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.3280	0.000	1	108.5470	1.220	2	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2O)	109.6880	0.000	1	109.6880	0.000	1	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCFH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCFH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.9410	0.000	1	109.9410	0.000	1	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.8770	0.000	1	109.5342	0.192	5	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.6985	0.275	4	109.5342	0.192	5	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHN)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHN)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.2000	0.000	1	109.2000	0.000	1	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[6]C[6]2O)	109.4980	0.000	1	109.3480	0.045	2	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.1980	0.000	1	109.3480	0.045	2	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.7665	0.426	2	109.9320	0.228	35	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.4030	0.000	1	109.9320	0.228	35	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.8030	0.064	2	109.9320	0.228	35	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.7235	0.112	2	109.9320	0.228	35	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.0316	0.804	7	109.9320	0.228	35	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]2O)	110.2620	0.146	3	109.9320	0.228	35	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	110.0019	0.384	14	109.9320	0.228	35	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.8875	0.221	2	109.9320	0.228	35	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.4120	0.443	2	109.9320	0.228	35	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	110.4040	0.011	2	110.4040	0.000	2	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.2540	0.000	1	109.9983	0.543	182	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.2760	0.000	1	109.9983	0.543	182	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|I<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.3440	0.000	1	109.9983	0.543	182	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.0910	0.000	1	109.9983	0.543	182	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|F<1>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.5240	0.051	2	109.9983	0.543	182	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|I<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	110.1640	0.000	1	109.9983	0.543	182	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.0500	0.000	1	109.9983	0.543	182	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]2O)	110.2260	0.000	1	109.9983	0.543	182	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	111.0255	1.242	2	109.9983	0.543	182	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]2O)	110.4610	0.000	1	109.9983	0.543	182	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	110.2517	0.700	11	109.9983	0.543	182	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.0420	0.315	2	109.9983	0.543	182	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.9735	0.221	2	109.9983	0.543	182	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.1270	0.000	1	109.9983	0.543	182	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.5572	0.832	9	109.9983	0.543	182	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.7440	0.984	28	109.9983	0.543	182	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]2O)	110.1419	0.639	23	109.9983	0.543	182	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	H(C[6]C[6]2O)	110.0175	0.564	2	109.9983	0.543	182	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.7910	0.000	1	109.9983	0.543	182	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	110.0037	0.511	59	109.9983	0.543	182	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2O)	109.9880	0.887	2	109.9983	0.543	182	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|Ir<6>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.1345	2.081	2	109.9983	0.543	182	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.8707	0.710	10	109.9983	0.543	182	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|Pd<4>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.8900	0.397	2	109.9983	0.543	182	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|O<3>,2|H<1>}	H(C[6]C[6]2O)	110.1460	0.000	1	109.9983	0.543	182	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|P<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	110.3540	0.000	1	109.9983	0.543	182	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|Cl<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.1714	0.661	8	109.9983	0.543	182	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.4137	1.303	3	109.9983	0.543	182	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.2320	0.000	1	109.9983	0.543	182	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){2|C<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.7800	0.133	2	109.9983	0.543	182	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CN[5]HH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CN[5]HH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	110.3907	0.510	3	110.3907	0.260	3	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CN[6]HH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CN[6]HH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.3830	0.197	2	109.3830	0.039	2	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CSeHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CSeHH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.9080	0.000	1	109.9080	0.000	1	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]P[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|H<1>,1|O<2>,1|P<4>}	C[6](C[6]C[6]HO)(O[6]P[6])(CHHO)(H){1|B<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2O)	109.7230	0.000	1	109.7393	0.042	3	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]P[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|H<1>,1|O<2>,1|P<4>}	C[6](C[6]C[6]HO)(O[6]P[6])(CHHO)(H){1|B<4>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.7475	0.288	2	109.7393	0.042	3	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.3370	0.000	1	109.7002	0.418	88	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.0256	0.465	12	109.7002	0.418	88	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.5430	0.000	1	109.7002	0.418	88	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.1620	0.000	1	109.7002	0.418	88	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.6200	0.000	1	109.7002	0.418	88	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.6340	0.668	72	109.7002	0.418	88	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CN[5]HH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CN[5]HH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	110.3130	0.000	1	110.3130	0.000	1	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCFF)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCFF)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	107.8180	0.000	1	107.8180	0.000	1	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CFHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CFHH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.1170	0.000	1	108.1170	0.000	1	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.6720	0.035	2	109.0806	0.931	28	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.1207	1.015	25	109.0806	0.931	28	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.8970	0.000	1	109.0806	0.931	28	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHI)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHI)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.6590	0.000	1	108.9865	0.905	2	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHI)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHI)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.3140	0.000	1	108.9865	0.905	2	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.3880	0.832	2	109.3880	0.691	2	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	110.1050	0.000	1	109.2520	1.514	198	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.4330	0.112	2	109.2520	1.514	198	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]2O)	109.7185	0.274	2	109.2520	1.514	198	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.4236	0.782	11	109.2520	1.514	198	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.3490	0.000	1	109.2520	1.514	198	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.6465	0.684	2	109.2520	1.514	198	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	119.0430	0.000	1	109.2520	1.514	198	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.3270	0.000	1	109.2520	1.514	198	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.8620	0.000	1	109.2520	1.514	198	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.4663	0.568	9	109.2520	1.514	198	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.8170	0.000	1	109.2520	1.514	198	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]2O)	109.2911	0.524	9	109.2520	1.514	198	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.1494	1.102	153	109.2520	1.514	198	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<3>,2|H<1>}	H(C[6]C[6]2O)	109.7045	0.180	2	109.2520	1.514	198	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.7030	0.000	1	109.2520	1.514	198	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.3530	0.000	1	109.2520	1.514	198	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHS)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHS)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.0850	0.000	1	109.0850	0.000	1	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OS)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHS)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHS)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.0410	0.727	2	109.0410	0.528	2	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.1050	0.000	1	109.5245	0.352	2	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.9440	0.000	1	109.5245	0.352	2	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]2O)	109.8640	0.000	1	109.8640	0.000	1	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.7393	0.398	3	109.7393	0.158	3	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]2O)	108.3855	0.470	2	108.3855	0.221	2	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OH)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2O)	109.7090	0.112	2	109.4723	0.168	4	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	H(C[6]C[6]2O)	109.2355	0.518	2	109.4723	0.168	4	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCCH)(H)	H(C[6]C[6]2O)	C[6](C[6]N[6]CH)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCCH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2O)	109.4630	0.000	1	109.4630	0.000	1	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CC[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]N[6]HH)(C[6]O[6]CH)(OC)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(CC[6]HO)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.2800	0.000	1	108.2800	0.000	1	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC)(H){1|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	111.0620	0.000	1	111.0620	0.000	1	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC[6])(H){1|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.7080	0.000	1	108.7080	0.000	1	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OH)(H){1|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.9230	0.000	1	108.8270	2.402	2	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OH)(H){1|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	107.7310	0.000	1	108.8270	2.402	2	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)2(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)2(OH)(H){1|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.1990	0.000	1	108.1990	0.000	1	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)2(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)2(OH)(H){1|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.1850	0.000	1	108.1850	0.000	1	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)2(OSi)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)2(OSi)(H){1|C<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2O)	109.8535	0.028	2	109.8535	0.001	2	109.5969	1.112	672	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HP)(OS)(H)	C[6](C[6]C[6]HO)(O[6]N[6])(PO3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HP)(OS)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]N[6])(PO3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.9130	0.000	1	109.9130	0.000	1	109.9130	0.000	1	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:S-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(SC[6]NO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(SC[6]NO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.6060	0.000	1	109.6060	0.000	1	109.6060	0.000	1	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]S[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(S[6]C[6])(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]S[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(S[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.1080	1.147	2	109.1080	1.315	2	109.1080	1.315	2	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H)	C[6](C[6]C[6]O[6]H)(O[6]C[6])(CCHO)(H)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H){1|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[6]O[6]H)(O[6]C[6])(CCHO)(H){1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2O[6])	108.6790	0.000	1	108.6790	0.000	1	108.6790	0.000	1	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(SC[6a])(H)	C[6](C[6]C[6]HS)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(SC[6a])(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HS)(O[6]C[6])(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2S)	108.5240	0.000	1	108.5240	0.000	1	108.5240	0.000	1	109.5969	1.082	714	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:2:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CO)(OH)(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHN)(OH)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHN)(OH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]O)	107.9030	0.000	1	107.9030	0.000	1	107.9030	0.000	1	108.4979	0.778	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(OH){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.7785	0.692	2	109.7785	0.479	2	108.5262	0.798	21	108.4979	0.778	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.6780	0.000	1	109.6780	0.000	1	108.5262	0.798	21	108.4979	0.778	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(OH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.5872	0.832	4	108.5872	0.693	4	108.5262	0.798	21	108.4979	0.778	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(OH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.4430	0.799	4	108.4430	0.638	4	108.5262	0.798	21	108.4979	0.778	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OC)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OC){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.6490	0.113	2	108.6490	0.013	2	108.5262	0.798	21	108.4979	0.778	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.2850	0.806	6	108.2850	0.650	6	108.5262	0.798	21	108.4979	0.778	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CN[6]HH)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CN[6]HH)(OH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	107.8680	0.000	1	107.8680	0.000	1	108.5262	0.798	21	108.4979	0.778	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]O[6]CO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6]O[6]H)(C[6]O[6]CO)(OH)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	106.8180	0.000	1	106.8180	0.000	1	108.5262	0.798	21	108.4979	0.778	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-2:C-4:C-3:	C[6]-4:	C[6](C[6]N[6,6]CO)(C[6]N[6]CC)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6,6])(CH3)(COO)	H(C[6]C[6]2O)	C[6](C[6]N[6,6]CO)(C[6]N[6]CC)(OH)(H){2|C<3>}	C[6](C[6]C[6]HO)(N[6]C[6,6])(CH3)(COO){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	H(C[6]C[6]2O)	108.8290	0.000	1	108.8290	0.000	1	108.8290	0.000	1	108.8290	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]O[6]CC)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[3x6])(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[3x6]HH)(C[6]O[6]CC)(OH)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]HO)(O[6]C[3x6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	107.0940	0.000	1	107.0940	0.000	1	107.8448	1.487	36	107.8359	1.296	42	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]O[6]CC)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[5,5,6,6]HH)(C[6]O[6]CC)(OH)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]HO)(O[6]C[5,6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.7620	0.000	1	108.7620	0.000	1	107.8448	1.487	36	107.8359	1.296	42	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(OC)(H){3|C<3>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2O)	110.5520	0.000	1	110.5520	0.000	1	107.8448	1.487	36	107.8359	1.296	42	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	107.9650	0.000	1	107.9650	0.000	1	107.8448	1.487	36	107.8359	1.296	42	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(OC)(H){1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.0205	0.103	2	109.0205	0.011	2	107.8448	1.487	36	107.8359	1.296	42	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6]O[6]CC)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HN)(C[6]O[6]CC)(OH)(H){2|C<3>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)2{1|H<1>,1|N<4>,2|C<3>}	H(C[6]C[6]2O)	109.1640	0.000	1	109.1640	0.000	1	107.8448	1.487	36	107.8359	1.296	42	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(OSi)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(OSi)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(CH3){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	106.5790	0.000	2	106.8960	0.134	4	107.8448	1.487	36	107.8359	1.296	42	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(OSi)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(OSi)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	107.2130	0.000	2	106.8960	0.134	4	107.8448	1.487	36	107.8359	1.296	42	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.5330	0.000	1	108.5665	0.002	2	107.8448	1.487	36	107.8359	1.296	42	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3){2|H<1>,3|C<4>}	H(C[6]C[6]2O)	108.6000	0.000	1	108.5665	0.002	2	107.8448	1.487	36	107.8359	1.296	42	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CC[5]HH)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CC[5]HH)(CH3){1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.6630	0.000	1	108.6630	0.000	1	107.8448	1.487	36	107.8359	1.296	42	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CC[5]HH)(CHHI)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CC[5]HH)(CHHI){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	107.7650	0.000	1	107.7650	0.000	1	107.8448	1.487	36	107.8359	1.296	42	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CC[5]HH)(CHHO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CC[5]HH)(CHHO){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	106.8975	1.160	2	106.8975	1.346	2	107.8448	1.487	36	107.8359	1.296	42	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2O)	107.9700	0.000	1	107.9700	0.000	1	107.8448	1.487	36	107.8359	1.296	42	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3){2|H<1>,3|C<4>}	H(C[6]C[6]2O)	107.2828	0.654	11	107.2828	0.427	11	107.8448	1.487	36	107.8359	1.296	42	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.1480	0.000	1	108.3180	0.058	2	107.8448	1.487	36	107.8359	1.296	42	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2O)	108.4880	0.000	1	108.3180	0.058	2	107.8448	1.487	36	107.8359	1.296	42	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CC)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CC)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.9480	0.000	1	108.9480	0.000	1	107.8448	1.487	36	107.8359	1.296	42	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]O[6]CC)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3)	H(C[6]C[6]2O)	C[6](C[6]O[6]CC)(C[6]O[6]HH)(OC)(H){1|C<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3){1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.0575	2.598	4	108.0575	6.751	4	107.8448	1.487	36	107.8359	1.296	42	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(SC[6a])(H)	C[6](C[6]C[6]HS)(O[6]C[6,6])(CH3)2	H(C[6]C[6]2S)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(SC[6a])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HS)(O[6]C[6,6])(CH3)2{2|C<4>,3|H<1>}	H(C[6]C[6]2S)	107.7823	0.463	6	107.7823	0.214	6	107.7823	0.214	6	107.8359	1.296	42	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]C)(H)2	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(OH)(H){1|C<2>,2|C<4>}	C[6](C[6]C[3,6]HO)(C[6]C[6]C)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[3,6]C[6]O)	109.0370	0.000	1	109.0370	0.000	1	109.0370	0.000	1	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[3,6]HO)(N[6]C[6]C)(H)2	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[3,6]HO)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[3,6]C[6]O)	109.2350	0.133	2	109.2350	0.018	2	109.2350	0.018	2	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:	C[6](C[3x6]C[6,6,6a]O[6,6]O[6])(C[6]C[6]ClH)(OH)(H)	C[6](C[6]C[3x6]HO)(C[6]C[6,6a]O)(Cl)(H)	H(C[6]C[3x6]C[6]O)	C[6](C[3x6]C[6,6,6a]O[6,6]O[6])(C[6]C[6]ClH)(OH)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[3x6]HO)(C[6]C[6,6a]O)(Cl)(H){2|C<3>,2|O<2>}	H(C[6]C[3x6]C[6]O)	110.2540	0.000	1	110.2540	0.000	1	110.2540	0.000	1	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[6,6,6a]O[6,6]O[6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[3x6]HO)(C[6]C[6,6a]O)(H)2	H(C[6]C[3x6]C[6]O)	C[6](C[3x6]C[6,6,6a]O[6,6]O[6])(C[6]C[6]HH)(OC)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[3x6]HO)(C[6]C[6,6a]O)(H)2{2|C<3>,2|O<2>}	H(C[6]C[3x6]C[6]O)	109.6350	0.000	1	109.6350	0.000	1	109.6350	0.000	1	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[6,6]2O[6,6])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[3x6]O[6]H)(C[6]C[6]O)(H)2	H(C[6]C[3x6]C[6]O[6])	C[6](C[3x6]C[6,6]2O[6,6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[6](C[6]C[3x6]O[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[3x6]C[6]O[6])	107.9500	0.000	1	107.9500	0.000	1	107.9500	0.000	1	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[4,6]HO)(C[6]C[6]C)(H)2	H(C[6]C[4,6]C[6]O)	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[4,6]HO)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]O)	109.0860	0.000	1	109.0860	0.000	1	109.0860	0.000	1	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]N[5]O[5])(C[6]C[6]HH)(NN)(H)	C[6](C[6]C[5,5,6]HN)(C[6]C[6]H)(H)2	H(C[6]C[5,5,6]C[6]N)	C[6](C[5,5,6]C[5,5,6]N[5]O[5])(C[6]C[6]HH)(NN)(H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[5,5,6]HN)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[6]C[5,5,6]C[6]N)	109.8555	1.066	2	109.8555	1.136	2	109.8555	1.136	2	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]ClH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(Cl)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]ClH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(Cl)(H){1|C<4>,1|H<1>,1|I<1>,1|O<2>}	H(C[6]C[5,6]C[6]O)	109.5040	0.000	1	109.5040	0.000	1	109.5040	0.000	1	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[5,6]HO)(C[6]C[5,6]O)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(OSi)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[5,6]O)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]O)	107.8670	0.000	1	107.8670	0.000	1	108.8247	2.085	12	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>,2|S<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]O)	109.0310	0.000	1	109.0310	0.000	1	108.8247	2.085	12	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC[5,6])(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC[5,6])(H){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2{5|C<4>}	H(C[6]C[5,6]C[6]O)	105.8970	0.000	1	105.8970	0.000	1	108.8247	2.085	12	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]O)	109.0185	0.258	2	109.0185	0.067	2	108.8247	2.085	12	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]O)	109.2150	0.000	1	109.2150	0.000	1	108.8247	2.085	12	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OC)(H){1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]O)	108.2420	0.000	1	108.2420	0.000	1	108.8247	2.085	12	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]S)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|N<3>,1|S<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]C[6]O)	108.8200	0.000	1	108.8200	0.000	1	108.8247	2.085	12	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]O)	112.2970	0.000	1	112.2970	0.000	1	108.8247	2.085	12	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6]C[6]HH)(OC)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]O)	108.6630	0.000	1	108.6630	0.000	1	108.8247	2.085	12	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]O)	108.3350	0.000	1	108.3350	0.000	1	108.8247	2.085	12	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]C)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6,6]C)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]O)	109.4930	0.000	1	109.4930	0.000	1	108.8247	2.085	12	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,5a]H)(C[6]N[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(N[6]C[6]S)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,5,6]C[5,5a]H)(C[6]N[6]HH)(OC)(H){1|S<4>,2|C<3>,3|C<4>}	C[6](C[6]C[5,6]HO)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]O)	109.3340	0.000	1	109.3340	0.000	1	108.7292	2.041	8	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(N[6]C[5,6]S)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>,2|S<4>}	C[6](C[6]C[5,6]HO)(N[6]C[5,6]S)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]O)	109.3180	0.144	2	109.3180	0.021	2	108.7292	2.041	8	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OC)(H){1|O<2>,4|C<4>}	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]O)	108.8420	0.000	1	108.8420	0.000	1	108.7292	2.041	8	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]O)	110.2640	0.000	1	107.9043	5.407	3	108.7292	2.041	8	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]O)	107.8340	0.000	1	107.9043	5.407	3	108.7292	2.041	8	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|O<2>,4|C<4>}	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]O)	105.6150	0.000	1	107.9043	5.407	3	108.7292	2.041	8	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(N[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[5,6]C[6]O)	109.3090	0.000	1	109.3090	0.000	1	108.7292	2.041	8	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:S-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(SC[6a])(H)	C[6](C[6]C[5,6]HS)(C[6]C[5,6]O)(H)2	H(C[6]C[5,6]C[6]S)	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(SC[6a])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HS)(C[6]C[5,6]O)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]S)	108.9930	0.000	1	108.9930	0.000	1	108.4935	0.499	2	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:S-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(SC[6a])(H)	C[6](C[6]C[5,6]HS)(C[6]C[6]N)(H)2	H(C[6]C[5,6]C[6]S)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(SC[6a])(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[5,6]HS)(C[6]C[6]N)(H)2{1|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]S)	107.9940	0.000	1	107.9940	0.000	1	108.4935	0.499	2	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[5]O[6]H)(C[6]C[6]O)(H)2	H(C[6]C[5]C[6]O[6])	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5]O[6]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[5]C[6]O[6])	108.9140	0.000	1	108.9140	0.000	1	108.9140	0.000	1	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(CC)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(CC)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]C)	107.8580	0.000	1	107.8580	0.000	1	107.8580	0.000	1	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6,6]C)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6,6]C)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]O)	109.6610	0.272	3	109.6610	0.074	3	109.2302	0.880	80	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6,6]H)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]O)	105.2380	0.000	1	105.2380	0.000	1	109.2302	0.880	80	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6,6]C)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6]HO)(C[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]O)	107.6315	1.527	2	107.6315	2.331	2	109.2302	0.880	80	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]N[5,6]O)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]N[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]O)	109.3685	0.779	59	109.3661	0.597	60	109.2302	0.880	80	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]N[5,6]O)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H){1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]N[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]O)	109.2240	0.000	1	109.3661	0.597	60	109.2302	0.880	80	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]O)	109.4160	0.000	1	109.4160	0.000	1	109.2302	0.880	80	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]O)	108.2353	0.268	3	108.3358	0.110	5	109.2302	0.880	80	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]O)	108.8190	0.000	1	108.3358	0.110	5	109.2302	0.880	80	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]O)	108.1540	0.000	1	108.3358	0.110	5	109.2302	0.880	80	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]O)	111.2740	0.000	1	109.7650	1.069	4	109.2302	0.880	80	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|H<1>,2|O<1>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	109.0960	0.068	2	109.7650	1.069	4	109.2302	0.880	80	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|H<1>,2|O<1>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]O)	109.5940	0.000	1	109.7650	1.069	4	109.2302	0.880	80	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]O)	109.4340	0.000	1	109.4340	0.000	1	109.2302	0.880	80	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	109.4730	0.000	1	109.4730	0.000	1	109.2302	0.880	80	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	108.9800	0.000	1	108.9800	0.000	1	109.2302	0.880	80	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]O)	108.9270	0.000	1	108.9270	0.000	1	109.2302	0.880	80	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(N[6]O[6]C)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HO)(N[6]O[6]C)(H)2{1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]O)	110.2910	0.000	1	110.2910	0.000	1	110.2910	0.000	1	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:S-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(SC[6a])(H)	C[6](C[6]C[6,6]HS)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]S)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(SC[6a])(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[6,6]HS)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]S)	109.2700	0.000	1	109.2700	0.000	1	109.2700	0.000	1	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(CC[3,5]CH)(O[6]C[6])(H)	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(CC[3,5]CH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]O[6]C)	108.4080	0.000	1	108.4080	0.000	1	108.5800	0.059	2	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(CC[6a]HH)(O[6]C[6])(H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(CC[6a]HH)(O[6]C[6])(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]O[6]C)	108.7520	0.000	1	108.7520	0.000	1	108.5800	0.059	2	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(CN[5a]HH)(O[6]C[6])(H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]HH)(CN[5a]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]O[6]C)	108.0980	0.000	1	108.0980	0.000	1	108.0980	0.000	1	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CN)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CN)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.8670	0.000	1	108.8670	0.000	1	108.8670	0.000	1	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NC)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)2{1|Br<1>,1|C<4>,2|H<1>}	H(C[6]C[6]2N)	110.9760	0.000	1	110.9760	0.000	1	110.9760	0.000	1	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:Br-1:Br-1:	C[6]-4:	C[6](C[6]C[6]Br2)(C[6]C[6]OO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(Br)2	H(C[6]C[6]2O)	C[6](C[6]C[6]Br2)(C[6]C[6]OO)(OC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(Br)2{2|Br<1>,1|C<4>,2|O<2>}	H(C[6]C[6]2O)	108.5990	1.844	2	108.5990	3.401	2	108.5990	3.401	2	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[6]HO)(C[6]C[6]I)(Cl)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OS)(H){1|C<3>,1|I<1>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]I)(Cl)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2O)	111.1330	0.000	1	111.1330	0.000	1	110.6007	0.382	3	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(Cl)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H){1|Cl<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(Cl)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.3345	0.582	2	110.3345	0.339	2	110.6007	0.382	3	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(F)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(F)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	111.0950	0.000	1	111.0950	0.000	1	110.4017	0.373	3	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(F)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(F)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.9440	0.000	1	109.9440	0.000	1	110.4017	0.373	3	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(OS)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(F)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(OS)(H){1|F<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(F)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.1660	0.000	1	110.1660	0.000	1	110.4017	0.373	3	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2{1|Br<1>,1|H<1>,2|C<4>}	H(C[6]C[6]2O)	108.3958	0.400	4	108.3958	0.160	4	109.2502	2.444	50	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2O)	106.4440	0.000	1	106.4440	0.000	1	109.2502	2.444	50	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2O)	108.7050	0.000	1	108.7050	0.000	1	109.2502	2.444	50	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2{1|H<1>,1|I<1>,2|C<4>}	H(C[6]C[6]2O)	109.1210	0.000	1	109.2710	0.045	2	109.2502	2.444	50	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.4210	0.000	1	109.2710	0.045	2	109.2502	2.444	50	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	109.6760	0.000	1	109.6760	0.000	1	109.2502	2.444	50	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.8820	0.000	1	109.8820	0.000	1	109.2502	2.444	50	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.1550	0.000	1	110.1550	0.000	1	109.2502	2.444	50	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.5350	0.000	1	108.5350	0.000	1	109.2502	2.444	50	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.8560	0.000	1	108.8560	0.000	1	109.2502	2.444	50	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|I<1>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.7520	0.000	1	108.6527	0.005	4	109.2502	2.444	50	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|W<7>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,1|W<7>,2|H<1>}	H(C[6]C[6]2O)	108.6390	0.000	2	108.6527	0.005	4	109.2502	2.444	50	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.5810	0.000	1	108.6527	0.005	4	109.2502	2.444	50	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.8320	0.000	1	109.8320	0.000	1	109.2502	2.444	50	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]S)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]HO)(C[6]C[6]S)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2O)	109.1990	0.000	1	109.1990	0.000	1	109.2502	2.444	50	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(OS)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(OS)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	115.1795	4.378	2	113.5680	17.373	3	109.2502	2.444	50	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(OS)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(OS)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	110.3450	0.000	1	113.5680	17.373	3	109.2502	2.444	50	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]N[6]C)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|N<3>,3|C<4>}	C[6](C[6]C[6]HO)(C[6]N[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2O)	109.8300	0.000	1	109.8300	0.000	1	109.2502	2.444	50	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.7542	0.280	8	108.8513	0.154	9	109.2502	2.444	50	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2O)	109.6280	0.000	1	108.8513	0.154	9	109.2502	2.444	50	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2O)	108.2305	0.703	4	108.2305	0.494	4	109.2502	2.444	50	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]O)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.5010	0.000	1	109.2800	0.098	2	109.2502	2.444	50	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]O)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]N[6]O)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.0590	0.000	1	109.2800	0.098	2	109.2502	2.444	50	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]O)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]O)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.8130	0.000	2	109.6474	0.055	7	109.2502	2.444	50	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]O)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]O)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.5812	0.252	5	109.6474	0.055	7	109.2502	2.444	50	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OSi)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OSi)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2{1|Br<1>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.7815	1.050	2	109.5533	0.707	3	109.2502	2.444	50	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OSi)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OSi)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2{1|Br<1>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.0970	0.000	1	109.5533	0.707	3	109.2502	2.444	50	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<1>,1|W<7>,3|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,1|W<7>,2|H<1>}	H(C[6]C[6]2O)	108.3100	0.000	2	108.3100	0.000	2	109.2502	2.444	50	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)(C[6]N[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|F<1>,2|H<1>}	H(C[6]C[6]2O)	109.4355	0.047	2	109.4355	0.002	2	109.2572	1.406	69	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2O)	112.5940	0.000	1	110.8607	2.261	3	109.2572	1.406	69	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2O)	109.9940	0.124	2	110.8607	2.261	3	109.2572	1.406	69	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.9950	0.000	1	109.5512	0.419	6	109.2572	1.406	69	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|O<2>,1|S<4>,2|C<4>}	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.4390	0.000	1	109.5512	0.419	6	109.2572	1.406	69	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|S<4>,3|C<4>}	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2O)	110.0810	0.076	2	109.5512	0.419	6	109.2572	1.406	69	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|S<4>,3|C<4>}	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.3555	0.131	2	109.5512	0.419	6	109.2572	1.406	69	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC[6a])(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC[6a])(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.6720	0.000	1	109.6720	0.000	1	109.2572	1.406	69	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC[6a])(H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC[6a])(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.7010	0.000	1	109.7010	0.000	1	109.2572	1.406	69	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.2980	0.000	1	109.2980	0.000	1	109.2572	1.406	69	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]O)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H){1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2O)	109.1220	0.000	1	109.1220	0.000	1	109.2572	1.406	69	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.0760	0.154	2	109.0300	0.018	3	109.2572	1.406	69	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H){1|O<2>,1|S<4>,2|C<4>}	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.9380	0.000	1	109.0300	0.018	3	109.2572	1.406	69	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]2)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(N[6]C[6]2)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.1475	4.315	2	109.1475	18.623	2	109.2572	1.406	69	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6]O)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OC)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(N[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	110.9040	0.000	1	110.9040	0.000	1	109.2572	1.406	69	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<3>,3|C<4>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2O)	109.3825	0.568	2	109.1785	1.205	6	109.2572	1.406	69	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.0765	1.363	4	109.1785	1.205	6	109.2572	1.406	69	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<4>,1|H<1>,2|F<1>}	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	106.5470	0.652	2	106.5470	0.425	2	109.2572	1.406	69	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	107.6340	0.000	1	107.6340	0.000	1	109.2572	1.406	69	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	H(C[6]C[6]2O)	C[6](C[6]N[6]HH)(C[6]O[6]CH)(OC)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2O)	105.6530	0.000	1	105.6530	0.000	1	109.2572	1.406	69	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2	H(C[6]C[6]2O)	C[6](C[6]N[6]HH)2(OH)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2O)	109.3276	0.767	38	109.3276	0.588	38	109.2572	1.406	69	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6]2O[6])	C[6](C[6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2O[6])	106.8930	0.055	2	106.8930	0.003	2	107.9110	1.425	4	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]S[6]2C)(O[6]C[6])(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2O[6])	C[6](C[6]C[6]HH)(C[6]S[6]2C)(O[6]C[6])(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<2>,1|S<3>}	H(C[6]C[6]2O[6])	108.9290	0.355	2	108.9290	0.126	2	107.9110	1.425	4	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC)(H)	C[6](C[6]C[6]HS)(C[6]C[6]O)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HS)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2S)	105.1410	0.000	1	105.1410	0.000	1	105.1410	0.000	1	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]HH)(SC)(H)	C[6](C[6]C[6]HS)(N[6]C[6]S)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]HH)(SC)(H){1|H<1>,1|S<4>,3|C<3>}	C[6](C[6]C[6]HS)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>,1|N<3>,1|S<1>}	H(C[6]C[6]2S)	109.6010	0.132	2	109.6010	0.017	2	109.6010	0.017	2	109.1908	1.514	255	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]C)(OH)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<3>}	C[6](C[6]C[3,6]HO)(C[6]C[6]C)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[3,6]C[6]O)	107.0310	0.000	1	107.0310	0.000	1	107.0310	0.000	1	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[4,6]HO)(C[6]C[6]C)(OH)(H)	H(C[6]C[4,6]C[6]O)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[4,6]HO)(C[6]C[6]C)(OH)(H){2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]O)	107.6645	0.535	2	107.6645	0.287	2	107.6645	0.287	2	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OC)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>,1|I<1>,1|O<2>}	H(C[6]C[5,6]C[6]O)	111.9130	0.000	1	111.9130	0.000	1	109.0526	3.903	9	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC[6])(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC[6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]C[6]O)	109.8680	0.139	2	109.8680	0.019	2	109.0526	3.903	9	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(ON)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(ON)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]O)	107.7695	0.217	2	107.7695	0.047	2	109.0526	3.903	9	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OC)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]C[6]O)	108.2465	3.850	2	108.2465	14.824	2	109.0526	3.903	9	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H){1|C<4>,1|H<1>,1|I<1>,1|O<2>}	H(C[6]C[5,6]C[6]O)	109.9400	0.000	1	108.8960	2.180	2	109.0526	3.903	9	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]O)	107.8520	0.000	1	108.8960	2.180	2	109.0526	3.903	9	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6a]O[6]H)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6a]C[6a]2)(O[6]C[5,6])(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6a]O[6]H)(OH)(H){2|C<3>,2|C<4>}	C[6](C[6]C[5,6]HO)(C[6a]C[6a]2)(O[6]C[5,6])(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]O)	110.6910	0.000	1	110.6910	0.000	1	110.6910	0.000	1	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HO)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OH)(H){4|C<4>}	H(C[6]C[6,6]C[6]O)	108.6530	0.000	1	108.6530	0.000	1	108.4939	0.970	9	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[5,6]H)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HO)(OH)(H){1|N<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HO)(C[6]C[5,6]H)(OC)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]O)	109.3830	0.000	1	109.3830	0.000	1	108.4939	0.970	9	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H){1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]O)	108.1270	0.000	1	108.1270	0.000	1	108.4939	0.970	9	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OH)(H){4|C<4>}	H(C[6]C[6,6]C[6]O)	108.4190	0.000	1	108.4190	0.000	1	108.4939	0.970	9	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H){2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	107.9200	0.000	1	107.9200	0.000	1	108.4939	0.970	9	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	109.9410	0.000	1	109.9410	0.000	1	108.4939	0.970	9	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]O)	109.5070	0.000	1	109.5070	0.000	1	108.4939	0.970	9	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(OH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]O)	107.2475	0.500	2	107.2475	0.250	2	108.4939	0.970	9	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]O[6]H)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6a]C[6a]2)(O[6]C[6,6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]O[6]H)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HO)(C[6a]C[6a]2)(O[6]C[6,6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	109.2020	0.000	1	109.2020	0.000	1	108.7548	0.515	6	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]O[6]H)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6a]C[6a]2)(O[6]C[6,6])(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]O[6]H)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HO)(C[6a]C[6a]2)(O[6]C[6,6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	108.6654	0.764	5	108.6654	0.584	5	108.7548	0.515	6	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NN)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]BrH)(C[6]C[6]HN)(OH)(H){1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(NN)(H){1|Br<1>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	106.9170	0.000	1	109.3900	12.231	2	109.3900	12.231	2	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NN)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]BrH)(C[6]C[6]HN)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(NN)(H){1|Br<1>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	111.8630	0.000	1	109.3900	12.231	2	109.3900	12.231	2	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2O)	107.7030	0.000	1	107.7030	0.000	1	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.7780	0.000	1	109.7780	0.000	1	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]Cl)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]Cl)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.1840	0.557	2	109.1840	0.310	2	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	110.0000	0.000	1	110.0000	0.000	1	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	107.4330	0.000	1	108.9303	6.386	3	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	107.5100	0.000	1	108.9303	6.386	3	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|Cl<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	111.8480	0.000	1	108.9303	6.386	3	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	107.4080	0.000	1	107.4080	0.000	1	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OS)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OS)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	110.1265	0.028	2	110.1265	0.001	2	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H){1|Cl<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|Cl<1>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.3080	0.000	1	110.3080	0.000	1	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|Cl<1>,1|H<1>,2|C<4>}	H(C[6]C[6]2O)	109.2580	0.000	1	109.2580	0.000	1	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|F<1>,2|H<1>}	H(C[6]C[6]2O)	111.1130	0.000	1	111.1130	0.000	1	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|F<1>,2|H<1>}	H(C[6]C[6]2O)	109.9580	0.000	1	109.9580	0.000	1	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H){1|C<4>,1|I<1>,2|H<1>}	H(C[6]C[6]2O)	109.0960	0.000	1	109.5650	0.440	2	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2O)	110.0340	0.000	1	109.5650	0.440	2	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2O)	108.5400	0.000	1	109.1015	0.631	2	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.6630	0.000	1	109.1015	0.631	2	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC[6a])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC[6a])(H){1|C<4>,3|H<1>}	H(C[6]C[6]2O)	105.9690	0.000	1	105.9690	0.000	1	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC[6])(H){1|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.8100	0.000	1	109.8100	0.000	1	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]I)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|I<1>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]I)(OH)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2O)	108.7270	0.000	1	108.7270	0.000	1	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HI)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HI)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|Br<1>,1|C<4>,1|H<1>,1|I<1>}	H(C[6]C[6]2O)	110.6223	0.191	4	110.6223	0.037	4	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2O)	110.4020	0.000	1	110.4020	0.000	1	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){2|C<3>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	107.4380	0.000	1	107.4380	0.000	1	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){2|C<3>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.7160	0.000	1	109.7160	0.000	1	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.3040	0.000	1	109.3040	0.000	1	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]I)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|I<1>}	C[6](C[6]C[6]HO)(C[6]C[6]I)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.3050	0.000	1	109.3050	0.000	1	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.9900	0.000	1	110.1240	0.036	2	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H){1|C<1>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]2O)	110.2580	0.000	1	110.1240	0.036	2	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.2930	0.000	1	110.2930	0.000	1	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.1380	0.000	1	109.1380	0.000	1	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.1780	0.000	1	109.1780	0.000	1	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.1290	1.202	2	110.4137	0.966	3	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	110.9830	0.000	1	110.4137	0.966	3	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<2>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.7145	0.177	2	109.5692	0.512	4	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.4240	1.192	2	109.5692	0.512	4	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OSi)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OSi)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	110.3000	0.000	1	110.3000	0.000	1	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]N[6]C)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]C)(OC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2O)	110.7980	0.000	1	110.7980	0.000	1	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]C)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]C)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.9980	0.000	1	109.9980	0.000	1	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]H)(OC[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]H)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.9080	0.000	1	108.9080	0.000	1	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<2>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.8290	0.486	2	108.5798	0.375	9	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	107.4720	0.000	1	108.5798	0.375	9	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.3690	0.000	1	108.5798	0.375	9	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.2630	0.000	1	108.5798	0.375	9	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.4615	0.042	2	108.5798	0.375	9	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	108.4850	0.000	1	108.5798	0.375	9	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.0480	0.000	1	108.5798	0.375	9	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	106.8630	0.000	1	108.6288	0.827	6	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>,1|I<1>,1|O<2>}	H(C[6]C[6]2O)	108.7275	0.155	2	108.6288	0.827	6	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.1805	0.384	2	108.6288	0.827	6	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	109.0940	0.000	1	108.6288	0.827	6	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.5520	0.000	1	109.5520	0.000	1	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.1140	0.000	1	108.9825	0.035	2	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.8510	0.000	1	108.9825	0.035	2	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]I)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|H<1>,1|I<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]I)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.0205	0.465	2	109.0205	0.216	2	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.2690	0.000	1	109.0343	0.573	7	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.9952	0.821	6	109.0343	0.573	7	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.2390	0.000	1	109.2390	0.000	1	109.2912	1.139	75	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(SC[6a])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OH)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(SC[6a])(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.6695	0.069	2	109.6695	0.005	2	109.6695	0.005	2	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[5]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H)	H(C[6]C[6]2O)	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H){1|Ir<8>,1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.7090	0.157	2	110.2032	0.371	6	109.8794	1.043	7	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[5]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H)	H(C[6]C[6]2O)	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H){1|Ni<4>,1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2O)	110.4670	0.672	2	110.2032	0.371	6	109.8794	1.043	7	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[5]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H)	H(C[6]C[6]2O)	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H){1|Pt<6>,1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2O)	111.0010	0.000	1	110.2032	0.371	6	109.8794	1.043	7	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[5]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H)	H(C[6]C[6]2O)	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H){1|Rh<8>,1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.8660	0.000	1	110.2032	0.371	6	109.8794	1.043	7	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[5]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H)	H(C[6]C[6]2O)	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H){1|O<2>,1|P<4>,4|C<4>,5|H<1>}	H(C[6]C[6]2O)	107.9370	0.000	1	107.9370	0.000	1	109.8794	1.043	7	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(CC)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2O)	109.3670	0.000	1	109.3670	0.000	1	109.3670	0.000	1	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HO)(OC)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]S)(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.0330	0.000	1	109.0330	0.000	1	109.2185	0.069	2	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(OH)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2O)	109.4040	0.000	1	109.4040	0.000	1	109.2185	0.069	2	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:Se-2:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(SeC[6a])(H)	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	H(C[6]C[6]2Se)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(SeC[6a])(H){4|C<3>}	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(O[6]C[6,6a])(H){4|C<3>,4|H<1>}	H(C[6]C[6]2Se)	109.6400	0.000	1	109.6400	0.000	1	109.3713	0.184	3	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:Se-2:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(SeC[6a])(H)	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[6]C[6]2Se)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(SeC[6a])(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]2Se)	108.8770	0.000	1	109.2370	0.259	2	109.3713	0.184	3	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:Se-2:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(SeC[6a])(H)	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[6]C[6]2Se)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(SeC[6a])(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2Se)	109.5970	0.000	1	109.2370	0.259	2	109.3713	0.184	3	109.1961	1.404	120	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:2:4:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:S[6]-3:S[6]-2:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]S[6]2C)(O[6]C[6])(H)	C[6](C[6]C[6]O[6]H)(S[6]C[6]O)(S[6]C[6])(CH3)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]HH)(C[6]S[6]2C)(O[6]C[6])(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6](C[6]C[6]O[6]H)(S[6]C[6]O)(S[6]C[6])(CH3){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2O[6])	108.8985	0.298	2	108.8985	0.089	2	108.8985	0.089	2	108.8985	0.089	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CCH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CCH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]O)	109.8010	0.000	1	109.8010	0.000	1	109.8010	0.000	1	108.7925	1.392	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HN)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NC[6a]C)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(NC[6a]C)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.6320	0.013	2	108.6320	0.000	2	108.2560	0.812	7	108.7925	1.392	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCC)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2O)	106.9540	0.000	1	106.9540	0.000	1	108.2560	0.812	7	108.7925	1.392	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCH)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2O)	107.8705	0.988	2	107.8705	0.976	2	108.2560	0.812	7	108.7925	1.392	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(NHH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.3050	0.000	1	108.3050	0.000	1	108.2560	0.812	7	108.7925	1.392	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(NCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H){2|C<3>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(NCH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.5280	0.000	1	109.5280	0.000	1	108.2560	0.812	7	108.7925	1.392	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CNO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(CNO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.0790	0.000	1	109.0790	0.000	1	110.2805	2.887	2	108.7925	1.392	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	111.4820	0.000	1	111.4820	0.000	1	110.2805	2.887	2	108.7925	1.392	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HN)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(NCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HN)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(NCH)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2O)	108.6780	0.262	2	108.6780	0.068	2	108.6780	0.068	2	108.7925	1.392	12	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:3:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-3:C-3:	C[6]-4:	C[6](C[6]N[6]CC)(C[6]S[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(COO)2	H(C[6]C[6]2O)	C[6](C[6]N[6]CC)(C[6]S[6]HH)(OH)(H){1|C<4>,1|S<4>}	C[6](C[6]C[6]HO)(N[6]C[6]S)(COO)2{1|C<3>,1|S<2>,3|H<1>}	H(C[6]C[6]2O)	106.2950	0.000	1	106.2950	0.000	1	106.2950	0.000	1	106.2950	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:3:4:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]S[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]H)2(CH3)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]2C)(C[6]S[6]HH)(O[6]C[6])(H){1|C<4>,1|N<1>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]H)2(CH3){1|S<4>,2|C<4>,4|H<1>}	H(C[6]C[6]2O[6])	108.9040	0.000	1	108.9040	0.000	1	108.9040	0.000	1	108.9040	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]CH)(OC)(H)	C[6](C[6]C[3,6]HO)(N[6]C[6]C)(CClHH)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]CH)(OC)(H){1|H<1>,2|C<4>}	C[6](C[6]C[3,6]HO)(N[6]C[6]C)(CClHH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[3,6]C[6]O)	109.9545	0.510	2	109.9545	0.260	2	109.9545	0.260	2	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]N[6]CH)(OSi)(H)	C[6](C[6]C[5,5,6,6]HO)(N[6]C[6]C)(CH3)(H)	H(C[6]C[5,5,6,6]C[6]O)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]N[6]CH)(OSi)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,5,6,6]HO)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[5,5,6,6]C[6]O)	109.8780	0.000	1	109.8780	0.000	1	109.8780	0.000	1	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(CHHO)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]CH)(OC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(CHHO)(H){2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]O)	109.2460	0.000	1	109.2460	0.000	1	109.2460	0.000	1	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CH3)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]O)	109.2340	0.000	1	109.2340	0.000	1	109.3715	0.038	2	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CCHH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CCHH)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]C[6]O)	109.5090	0.000	1	109.5090	0.000	1	109.3715	0.038	2	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(OH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[5,6]C[6]O)	109.1623	0.380	3	109.1623	0.144	3	109.1623	0.144	3	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[5,6]HO)(N[6]C[6]H)(CH3)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(N[6]C[6]H)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]O)	109.4230	0.000	1	109.4230	0.000	1	107.8810	2.234	3	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[5,6]HO)(N[6]C[6]H)(CHHO)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(N[6]C[6]H)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[5,6]C[6]O)	107.1100	0.949	2	107.1100	0.900	2	107.8810	2.234	3	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6,6]C[6]O)	109.0220	0.000	1	109.0220	0.000	1	109.0220	0.000	1	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:S-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]N[6]CH)(SC[6a])(H)	C[6](C[6]C[6,6]HS)(N[6]C[6]H)(CH3)(H)	H(C[6]C[6,6]C[6]S)	C[6](C[6,6]C[6]2O[6])(C[6]N[6]CH)(SC[6a])(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HS)(N[6]C[6]H)(CH3)(H){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]S)	108.1580	0.634	2	108.1580	0.401	2	108.1580	0.401	2	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6])(H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6])(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>}	H(C[6]C[6]O[6]C)	107.9380	0.000	1	107.9380	0.000	1	107.9380	0.000	1	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.9720	0.000	1	107.9720	0.000	1	107.9720	0.000	1	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(OSi)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(OSi)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	H(C[6]C[6]2O)	109.4730	0.000	1	109.4730	0.000	1	109.4730	0.000	1	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HH)(OSi)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HH)(OSi)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,3|O<2>,4|H<1>}	H(C[6]C[6]2O)	109.9170	0.000	1	109.9170	0.000	1	109.9170	0.000	1	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]FH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]FH)(OH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H){1|C<4>,1|F<1>,2|H<1>}	H(C[6]C[6]2O)	109.3520	0.000	1	109.3520	0.000	1	109.0548	0.215	23	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2O)	109.3605	0.142	2	109.3605	0.020	2	109.0548	0.215	23	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]2)(CCHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]2)(CCHO)(H){3|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.8268	0.039	4	108.8268	0.002	4	109.0548	0.215	23	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2O)	108.5790	0.000	1	108.5790	0.000	1	109.0548	0.215	23	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.1200	0.000	1	109.1200	0.000	1	109.0548	0.215	23	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.0330	0.000	1	108.0330	0.000	1	109.0548	0.215	23	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.7800	0.000	1	109.7800	0.000	1	109.0548	0.215	23	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC[6])(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.8420	0.000	1	108.8420	0.000	1	109.0548	0.215	23	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.2235	0.556	2	109.2235	0.310	2	109.0548	0.215	23	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]O)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]O)(CH3)(H){1|H<1>,2|C<4>}	H(C[6]C[6]2O)	109.6800	0.000	1	109.1799	0.300	7	109.0548	0.215	23	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]O)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]O)(CH3)(H){1|H<1>,2|C<4>}	H(C[6]C[6]2O)	109.0965	0.550	6	109.1799	0.300	7	109.0548	0.215	23	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(OH)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.7530	0.000	1	108.7530	0.000	1	109.0548	0.215	23	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.0680	0.000	1	109.0680	0.000	1	109.0548	0.215	23	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]N[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]N[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6]2O)	109.1970	0.000	1	109.1970	0.000	1	109.1970	0.000	1	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.4020	0.000	1	108.4020	0.000	1	108.8881	0.549	24	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]H)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.3670	0.000	1	109.3670	0.000	1	108.8881	0.549	24	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6]O)(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]O)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2O)	110.0030	0.000	1	110.0030	0.000	1	108.8881	0.549	24	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.2610	0.000	1	108.2610	0.000	1	108.8881	0.549	24	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.8780	0.000	1	108.9415	0.008	2	108.8881	0.549	24	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.0050	0.000	1	108.9415	0.008	2	108.8881	0.549	24	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(CCCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]C[6]HO)(N[6]C[6]S)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.5645	0.185	2	108.5645	0.034	2	108.8881	0.549	24	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]N[6]C)(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){1|N<2>,2|C<3>}	C[6](C[6]C[6]HO)(N[6]N[6]C)(CCHH)(H){1|C<3>,2|H<1>}	H(C[6]C[6]2O)	109.1610	0.000	1	109.1610	0.000	1	108.8881	0.549	24	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(CCHH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.3300	0.000	1	108.3300	0.000	1	108.8881	0.549	24	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H){1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.4835	0.538	2	108.8530	0.447	5	108.8881	0.549	24	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.4327	0.295	3	108.8530	0.447	5	108.8881	0.549	24	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.5165	0.508	2	108.5165	0.258	2	108.8881	0.549	24	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]H)(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.5740	0.000	1	109.5740	0.000	1	108.8881	0.549	24	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	106.7830	0.000	1	106.7830	0.000	1	108.8881	0.549	24	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.5660	0.000	1	108.5660	0.000	1	108.8881	0.549	24	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OSi)(H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6](C[6]C[6]HO)(N[6]C[6]S)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.6420	0.000	1	109.6420	0.000	1	108.8881	0.549	24	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHO)(H)	H(C[6]C[6]2O)	C[6](C[6]N[6]CH)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2O)	109.7030	0.000	1	109.7030	0.000	1	108.8881	0.549	24	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(N[6]S[6]H)(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]N[6]CH)(C[6]O[6]HH)(OC)(H){1|H<1>,1|S<4>}	C[6](C[6]C[6]HO)(N[6]S[6]H)(CHHO)(H){1|O<2>,2|H<1>,2|O<1>}	H(C[6]C[6]2O)	109.6065	0.524	2	109.6065	0.275	2	108.8881	0.549	24	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(O[6]C[6])(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]O)(CH3)(H)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]2H)(C[6]C[6]CH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]O)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O[6])	107.7780	0.000	1	107.7780	0.000	1	107.7780	0.000	1	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:Se-2:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SeC[6a])(H)	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2Se)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SeC[6a])(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[6]C[6]2Se)	108.3110	0.000	1	108.3110	0.000	1	108.3110	0.000	1	108.9334	0.534	69	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6,6]C[6]O)	108.3897	1.223	3	108.3897	1.496	3	108.1630	1.203	4	108.7402	1.359	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]O)	107.4830	0.000	1	107.4830	0.000	1	108.1630	1.203	4	108.7402	1.359	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(OH){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.9990	0.000	1	108.9990	0.000	1	109.1505	1.604	4	108.7402	1.359	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(CCHH)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(CCHH)(OH){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.0935	0.025	2	110.0935	0.001	2	109.1505	1.604	4	108.7402	1.359	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(CHHO)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(CHHO)(OH){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	107.4160	0.000	1	107.4160	0.000	1	109.1505	1.604	4	108.7402	1.359	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:S-2:	C[6]-4:	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(SC)	H(C[6]C[6]2O)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(SC){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.4080	0.000	1	109.4080	0.000	1	109.4080	0.000	1	108.7402	1.359	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]O)(CCHO)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(OH)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]O)(CCHO)(CH3){1|H<1>,2|C<4>}	H(C[6]C[6]2O)	109.6310	0.000	1	109.6310	0.000	1	108.3009	1.104	7	108.4130	1.047	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	106.4720	0.000	1	107.6107	0.589	4	108.3009	1.104	7	108.4130	1.047	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)2{2|C<4>,2|H<1>}	H(C[6]C[6]2O)	107.9903	0.139	3	107.6107	0.589	4	108.3009	1.104	7	108.4130	1.047	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]O)(CCHH)(CCHO)	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]O)(CCHH)(CCHO){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	109.0160	0.400	2	109.0160	0.160	2	108.3009	1.104	7	108.4130	1.047	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(OH)(H)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HO)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(OH)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HO)(CH3){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2O)	109.1980	0.000	1	109.1980	0.000	1	109.1980	0.000	1	108.4130	1.047	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	B[5,5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[5,5]N[5,5]O[5]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]B[5,5]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]B[5,5]C[6]O[6])	C[6](B[5,5]N[5,5]O[5]2)(C[6]C[6]HH)(O[6]C[6])(H){2|C<3>,3|H<1>,5|C<4>}	C[6](C[6]B[5,5]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|H<1>,2|O<2>}	H(C[6]B[5,5]C[6]O[6])	108.4340	0.000	1	108.4340	0.000	1	108.4340	0.000	1	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[3,5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,5,6]HO)(H)2	H(C[6]C[3,5,6]C[6]O)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OC)(H){4|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,5,6]HO)(H)2{2|H<1>,6|C<4>}	H(C[6]C[3,5,6]C[6]O)	109.0152	0.081	5	109.0152	0.007	5	108.9878	0.010	6	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[3,5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[3,5,6]HO)(H)2	H(C[6]C[3,5,6]C[6]O)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OH)(H){1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[3,5,6]HO)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[3,5,6]C[6]O)	108.8510	0.000	1	108.8510	0.000	1	108.9878	0.010	6	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[3,6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HO)(H)2	H(C[6]C[3,6,6]C[6]O)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(OH)(H){1|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HO)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[3,6,6]C[6]O)	107.5980	0.000	1	107.5980	0.000	1	107.5980	0.000	1	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[3,6]HO)(H)2	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[3,6]HO)(H)2{3|H<1>,5|C<4>}	H(C[6]C[3,6]C[6]O)	109.0830	0.000	1	109.0830	0.000	1	107.9340	1.508	3	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[3,6]HO)(H)2	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[3,6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	H(C[6]C[3,6]C[6]O)	107.3595	1.018	2	107.3595	1.035	2	107.9340	1.508	3	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HO)(H)2	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HO)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[3,6]C[6]O)	107.3750	0.000	1	107.3750	0.000	1	107.3750	0.000	1	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]BrH)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(Br)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]BrH)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(Br)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[3,6]C[6]O)	108.7715	2.616	2	108.7715	6.841	2	108.7715	6.841	2	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2{1|C<2>,2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]O)	109.4210	0.000	1	109.4210	0.000	1	109.0582	0.462	15	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(OC)(H){1|H<1>,3|C<4>}	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[3,6]C[6]O)	108.7550	0.000	1	108.7550	0.000	1	109.0582	0.462	15	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(H)2	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]O)	110.1430	0.000	1	110.1430	0.000	1	109.0582	0.462	15	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[3,6]HO)(H)2	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(OC)(H){2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[3,6]HO)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[3,6]C[6]O)	109.0350	0.000	1	109.0350	0.000	1	109.0582	0.462	15	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(OH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[3,6]C[6]O)	108.6125	0.351	2	108.6125	0.124	2	109.0582	0.462	15	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[3,6]HO)(H)2	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[3,6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[3,6]C[6]O)	108.3900	0.000	1	108.3900	0.000	1	109.0582	0.462	15	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(H)2{2|O<2>,3|C<4>}	H(C[6]C[3,6]C[6]O)	108.3530	0.000	1	108.3530	0.000	1	109.0582	0.462	15	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,5|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]O)	109.1900	0.000	1	109.7745	0.683	2	109.0582	0.462	15	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H){2|C<4>,4|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[3,6]C[6]O)	110.3590	0.000	1	109.7745	0.683	2	109.0582	0.462	15	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3x6]C[3]O[3])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[3,6]HO)(C[6]C[3x6]HH)(H)2	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3x6]C[3]O[3])(C[6]C[6]HH)(OC)(H){3|C<4>,4|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[3x6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[3,6]C[6]O)	109.1600	0.000	1	109.1600	0.000	1	109.0582	0.462	15	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[5,6]C[3]O[3])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[3,6]HO)(C[6]C[5,6]HH)(H)2	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[5,6]C[3]O[3])(C[6]C[6]HH)(OC)(H){2|C<4>,5|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[5,6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[3,6]C[6]O)	109.2380	0.000	1	109.2380	0.000	1	109.0582	0.462	15	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HH)(OH)(H){2|C<4>,5|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[3,6]C[6]O)	108.3495	0.350	2	108.8680	0.868	3	109.0582	0.462	15	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HH)(OH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[3,6]C[6]O)	109.9050	0.000	1	108.8680	0.868	3	109.0582	0.462	15	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[3]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3]C[3]O[3]C)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[3]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[3]C[6]O[6])	C[6](C[3]C[3]O[3]C)(C[6]C[6]HH)(O[6]C[6])(H){2|C<4>,5|H<1>}	C[6](C[6]C[3]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[3]C[6]O[6])	108.7630	0.000	1	108.7630	0.000	1	108.7890	0.001	2	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[3]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3]C[3]O[3]H)(C[6]C[6]HH)(O[6]C[6,6])(H)	C[6](C[6]C[3]O[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[3]C[6]O[6])	C[6](C[3]C[3]O[3]H)(C[6]C[6]HH)(O[6]C[6,6])(H){3|H<1>,4|C<4>}	C[6](C[6]C[3]O[6]H)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[3]C[6]O[6])	108.8150	0.000	1	108.8150	0.000	1	108.7890	0.001	2	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:N[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[6,6]3)(C[6]C[6]HH)(N[6]C[6])(H)	C[6](C[6]C[3x6]N[6]H)(C[6]O[6]CH)(H)2	H(C[6]C[3x6]C[6]N[6])	C[6](C[3x6]C[6,6]3)(C[6]C[6]HH)(N[6]C[6])(H){2|O<2>,4|C<4>,7|H<1>}	C[6](C[6]C[3x6]N[6]H)(C[6]O[6]CH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[3x6]C[6]N[6])	106.9160	0.000	1	106.9160	0.000	1	106.9160	0.000	1	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HO)(H)2	H(C[6]C[3x6]C[6]O)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]O)	109.0060	0.000	1	108.8210	0.068	2	108.4128	0.341	4	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HO)(H)2	H(C[6]C[3x6]C[6]O)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OC)(H){1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]O)	108.6360	0.000	1	108.8210	0.068	2	108.4128	0.341	4	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HO)(H)2	H(C[6]C[3x6]C[6]O)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]O)	108.0045	0.537	2	108.0045	0.288	2	108.4128	0.341	4	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3,6]C[3x6]C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[3x6]HO)(C[6]C[6,6]CH)(H)2	H(C[6]C[3x6]C[6]O)	C[6](C[3x6]C[3,6]C[3x6]C[6])(C[6]C[6]HH)(OH)(H){2|O<2>,4|H<1>,5|C<4>}	C[6](C[6]C[3x6]HO)(C[6]C[6,6]CH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[3x6]C[6]O)	109.4950	0.000	1	109.4950	0.000	1	109.0135	0.464	2	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[3x6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]O)	C[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[3x6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[3x6]C[6]O)	108.5320	0.000	1	108.5320	0.000	1	109.0135	0.464	2	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[4,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6,6]C[4,6]2C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[4,6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[4,6,6]C[6]O)	C[6](C[4,6,6]C[4,6]2C[6])(C[6]C[6]HH)(OH)(H){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6]C[4,6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[4,6,6]C[6]O)	108.9030	0.000	1	108.9030	0.000	1	108.9030	0.000	1	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,5]C[4,6]O)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[4,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]O)	C[6](C[4,6]C[4,5]C[4,6]O)(C[6]C[6]HH)(OH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[4,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]O)	108.2270	0.000	1	108.2270	0.000	1	109.3386	2.613	8	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,5]C[4,6]O)(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[4,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]O)	C[6](C[4,6]C[4,5]C[4,6]O)(C[6]C[6]HH)(OS)(H){3|C<4>,4|H<1>}	C[6](C[6]C[4,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]O)	108.8690	0.000	1	108.8690	0.000	1	109.3386	2.613	8	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[4,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]O)	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(OH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[4,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]O)	108.1680	0.444	2	108.1680	0.197	2	109.3386	2.613	8	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[4,6]HO)(C[6]O[6]HH)(H)2	H(C[6]C[4,6]C[6]O)	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(OH)(H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[4,6]HO)(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>}	H(C[6]C[4,6]C[6]O)	111.6470	0.000	1	111.6470	0.000	1	109.3386	2.613	8	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[4,6]HO)(C[6]O[6]HH)(H)2	H(C[6]C[4,6]C[6]O)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[4,6]HO)(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>}	H(C[6]C[4,6]C[6]O)	109.8767	1.962	3	109.8767	3.851	3	109.3386	2.613	8	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(CN)(H)	C[6](C[6]C[4x6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[4x6]C[6]C)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(CN)(H){2|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[4x6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[4x6]C[6]C)	108.0570	0.000	1	108.0570	0.000	1	108.0570	0.000	1	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,6,6]HH)(OH)(H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[4x6]HO)(H)2	H(C[6]C[4x6]C[6]O)	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,6,6]HH)(OH)(H){1|C<3>,7|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[4x6]HO)(H)2{1|C<3>,2|H<1>,3|O<2>,5|C<4>}	H(C[6]C[4x6]C[6]O)	107.2220	0.000	1	107.2220	0.000	1	107.2220	0.000	1	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[4x6]HO)(H)2	H(C[6]C[4x6]C[6]O)	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,6]HH)(OH)(H){1|C<3>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[4x6]HO)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[4x6]C[6]O)	106.3500	0.000	1	106.3500	0.000	1	107.7605	3.979	2	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[5,5x6]C[5x6]H)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5,3x6]C[5]H)(C[6]C[4x6]HO)(H)2	H(C[6]C[4x6]C[6]O)	C[6](C[4x6]C[5,5x6]C[5x6]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,3x6]C[5]H)(C[6]C[4x6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[4x6]C[6]O)	109.1710	0.000	1	109.1710	0.000	1	107.7605	3.979	2	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[4x6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[4x6]C[6]O)	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[4x6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[4x6]C[6]O)	108.7940	0.000	1	109.1437	0.096	3	108.0302	1.016	14	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[4x6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[4x6]C[6]O)	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OC)(H){1|O<2>,4|C<4>,6|H<1>}	C[6](C[6]C[4x6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[4x6]C[6]O)	109.3185	0.088	2	109.1437	0.096	3	108.0302	1.016	14	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[4x6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[4x6]C[6]O)	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OH)(H){1|O<2>,4|C<4>,6|H<1>}	C[6](C[6]C[4x6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[4x6]C[6]O)	107.8338	0.883	10	107.7265	0.829	11	108.0302	1.016	14	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[4x6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[4x6]C[6]O)	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OH)(H){2|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[4x6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[4x6]C[6]O)	106.6540	0.000	1	107.7265	0.829	11	108.0302	1.016	14	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HO)(H)2	H(C[6]C[5,3x6]C[6]O)	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(OH)(H){5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HO)(H)2{1|C<3>,7|C<4>}	H(C[6]C[5,3x6]C[6]O)	106.5340	0.000	1	106.5340	0.000	1	106.5340	0.000	1	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,3x6]C[5,3x6]C[5,6]C[6,6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,3x6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[5,3x6]C[6]O)	C[6](C[5,3x6]C[5,3x6]C[5,6]C[6,6])(C[6]C[6]HH)(OH)(H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,3x6]HO)(C[6]N[6]HH)(H)2{4|C<4>}	H(C[6]C[5,3x6]C[6]O)	106.8990	0.536	2	106.8990	0.287	2	107.4537	0.241	23	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,3x6]C[6]O)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2{5|C<4>}	H(C[6]C[5,3x6]C[6]O)	107.5232	0.184	6	107.4594	0.097	10	107.4537	0.241	23	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,3x6]C[6]O)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[5,3x6]C[6]O)	107.6670	0.000	1	107.4594	0.097	10	107.4537	0.241	23	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,3x6]C[6]O)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[5,3x6]C[6]O)	107.4195	0.609	2	107.4594	0.097	10	107.4537	0.241	23	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,3x6]C[6]O)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2{5|C<4>}	H(C[6]C[5,3x6]C[6]O)	106.9490	0.000	1	107.4594	0.097	10	107.4537	0.241	23	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HO)(H)2	H(C[6]C[5,3x6]C[6]O)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HO)(H)2{5|C<4>}	H(C[6]C[5,3x6]C[6]O)	107.4430	0.245	4	107.6589	0.107	7	107.4537	0.241	23	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HO)(H)2	H(C[6]C[5,3x6]C[6]O)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,2|O<2>,3|H<1>,5|C<4>}	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HO)(H)2{5|C<4>}	H(C[6]C[5,3x6]C[6]O)	107.8830	0.021	2	107.6589	0.107	7	107.4537	0.241	23	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HO)(H)2	H(C[6]C[5,3x6]C[6]O)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<4>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HO)(H)2{5|C<4>}	H(C[6]C[5,3x6]C[6]O)	108.0740	0.000	1	107.6589	0.107	7	107.4537	0.241	23	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,3x6]C[6]O)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OH)(H){1|N<3>,5|C<4>,5|H<1>}	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2{5|C<4>}	H(C[6]C[5,3x6]C[6]O)	107.4340	1.116	3	107.4340	1.246	3	107.4537	0.241	23	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,3x6]C[5,6,6]2C[6,6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,3x6]C[6]O)	C[6](C[5,3x6]C[5,6,6]2C[6,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2{5|C<4>}	H(C[6]C[5,3x6]C[6]O)	107.1280	0.000	1	107.1280	0.000	1	107.4537	0.241	23	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,3x6]C[4,5,6]C[5,3x6]C[5,5,6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,5,3x6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,5,3x6]C[6]O)	C[6](C[5,5,3x6]C[4,5,6]C[5,3x6]C[5,5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[6](C[6]C[5,5,3x6]HO)(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[5,5,3x6]C[6]O)	107.7377	0.321	3	107.7377	0.103	3	108.0247	0.259	10	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,5,3x6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,5,3x6]C[6]O)	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[6](C[6]C[5,5,3x6]HO)(C[6]C[6,6]HH)(H)2{5|C<4>}	H(C[6]C[5,5,3x6]C[6]O)	108.5657	0.239	3	108.5657	0.057	3	108.0247	0.259	10	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,5,3x6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,5,3x6]C[6]O)	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OH)(H){1|N<3>,5|C<4>,5|H<1>}	C[6](C[6]C[5,5,3x6]HO)(C[6]C[6,6]HH)(H)2{5|C<4>}	H(C[6]C[5,5,3x6]C[6]O)	108.4310	0.000	1	108.4310	0.000	1	108.0247	0.259	10	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,3x6]C[5,3x6]C[5,5,6]2)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,5,3x6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,5,3x6]C[6]O)	C[6](C[5,5,3x6]C[5,3x6]C[5,5,6]2)(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[6](C[6]C[5,5,3x6]HO)(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[5,5,3x6]C[6]O)	107.4385	0.180	2	107.4385	0.033	2	108.0247	0.259	10	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,5,3x6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,5,3x6]C[6]O)	C[6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,4|C<4>,5|H<1>}	C[6](C[6]C[5,5,3x6]HO)(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[5,5,3x6]C[6]O)	108.0290	0.000	1	108.0290	0.000	1	108.0247	0.259	10	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,4x6]C[5,5,6]C[6])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[5,5,6,6]HO)(H)2	H(C[6]C[5,5,6,6]C[6]O)	C[6](C[5,5,6,6]C[5,5,4x6]C[5,5,6]C[6])(C[6]C[6,6]HH)(OH)(H){1|N<4>,4|H<1>,6|C<4>}	C[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[5,5,6,6]HO)(H)2{3|H<1>,5|C<4>}	H(C[6]C[5,5,6,6]C[6]O)	107.2050	0.000	1	107.2050	0.000	1	107.2050	0.000	1	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,6]C[5,6]O[5,6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6,6]C[6]O)	C[6](C[5,5,6,6]C[5,5,6]C[5,6]O[5,6])(C[6]C[6]HH)(OH)(H){2|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,5,6,6]C[6]O)	108.4900	0.000	1	108.4900	0.000	1	108.7360	0.193	4	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6,6]C[6]O)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(OH)(H){1|O<2>,4|C<4>,6|H<1>}	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,5,6,6]C[6]O)	109.0765	0.310	2	109.0765	0.096	2	108.7360	0.193	4	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6,6]C[6]O)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]HH)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[5,5,6,6]C[6]O)	108.3010	0.000	1	108.3010	0.000	1	108.7360	0.193	4	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6,6]HH)(OC)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,5,6]HO)(H)2	H(C[6]C[5,5,6]C[6]O)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6,6]HH)(OC)(H){1|C<3>,1|H<1>,7|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,5,6]HO)(H)2{1|C<3>,2|H<1>,2|O<2>,5|C<4>}	H(C[6]C[5,5,6]C[6]O)	108.9260	0.414	2	108.9260	0.172	2	108.9260	0.172	2	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6,6]C[5,6a]C[5])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6]HO)(H)2	H(C[6]C[5,5,6]C[6]O)	C[6](C[5,5,6]C[5,5,6,6]C[5,6a]C[5])(C[6]C[6,6]HH)(OH)(H){2|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,5,6]C[6]O)	105.2920	0.000	1	105.2920	0.000	1	105.2920	0.000	1	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,5,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[5,5,6]C[6]O)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,5|C<4>,5|H<1>}	C[6](C[6]C[5,5,6]HO)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,5,6]C[6]O)	108.1225	0.368	2	108.1225	0.136	2	108.2955	0.086	4	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[5,5,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[5,5,6]C[6]O)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(OSi)(H){1|C<3>,5|C<4>,5|H<1>}	C[6](C[6]C[5,5,6]HO)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,5,6]C[6]O)	108.4685	0.059	2	108.4685	0.003	2	108.2955	0.086	4	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[6,6]O[5])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,5,6]C[6,6]O[5])(C[6]C[6,6]HH)(OH)(H){3|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[5,6,6]C[6]O)	108.7237	1.022	4	108.7237	1.044	4	108.4737	0.566	12	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6,6]HO)(H)2	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]HH)(OH)(H){2|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6,6]HO)(H)2{1|O<2>,7|C<4>}	H(C[6]C[5,6,6]C[6]O)	108.6325	0.110	2	108.6325	0.012	2	108.4737	0.566	12	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6,6]HH)(OH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2{1|O<2>,2|C<3>,5|C<4>}	H(C[6]C[5,6,6]C[6]O)	109.3700	0.000	1	109.3700	0.000	1	108.4737	0.566	12	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2{1|C<3>,7|C<4>}	H(C[6]C[5,6,6]C[6]O)	107.4250	0.000	1	108.0310	0.250	5	108.4737	0.566	12	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2{2|C<3>,6|C<4>}	H(C[6]C[5,6,6]C[6]O)	108.0215	0.643	2	108.0310	0.250	5	108.4737	0.566	12	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H){1|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2{8|C<4>}	H(C[6]C[5,6,6]C[6]O)	108.4510	0.000	1	108.0310	0.250	5	108.4737	0.566	12	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H){5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2{1|C<3>,7|C<4>}	H(C[6]C[5,6,6]C[6]O)	108.2360	0.000	1	108.0310	0.250	5	108.4737	0.566	12	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]C)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6]C[5,6,6]HO)(C[6,6]C[6]3)(H)2	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]C)(C[6]C[6,6]HH)(OC)(H){1|O<2>,3|C<3>,4|C<4>}	C[6](C[6]C[5,6,6]HO)(C[6,6]C[6]3)(H)2{1|C<3>,1|O<2>,2|H<1>,6|C<4>}	H(C[6]C[5,6,6]C[6]O)	109.6500	0.000	1	109.6500	0.000	1	109.6500	0.000	1	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6,6]HO)(H)2	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(OC)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6,6]HO)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6,6]C[6]O)	109.4195	0.571	2	109.4195	0.326	2	108.7397	1.009	24	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,1|S<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6,6]C[6]O)	109.4420	0.000	1	109.4420	0.000	1	108.7397	1.009	24	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[6]C[6]HH)(OH)(H){2|H<1>,6|C<4>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6,6]C[6]O)	108.9145	0.564	2	108.9145	0.318	2	108.7397	1.009	24	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]O)	109.2185	0.412	2	109.2185	0.170	2	108.7397	1.009	24	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]SiH)(H)2	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(OH)(H){1|Si<4>,1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]SiH)(H)2{5|C<4>}	H(C[6]C[5,6,6]C[6]O)	108.9560	0.000	2	108.9560	0.000	2	108.7397	1.009	24	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6,6]C[6]O)	109.0870	0.000	1	109.0870	0.000	1	108.7397	1.009	24	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(OC)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6,6]C[6]O)	108.4770	0.000	1	108.4770	0.000	1	108.7397	1.009	24	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5,6,6]C[6]O)	107.7100	0.000	1	107.7100	0.000	1	108.7397	1.009	24	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(OSi)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6,6]C[6]O)	109.3040	0.000	1	109.3040	0.000	1	108.7397	1.009	24	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HO)(H)2	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(OC)(H){1|O<2>,5|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6,6]C[6]O)	108.9200	2.550	2	108.9200	6.502	2	108.7397	1.009	24	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]CH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[5,6,6]C[6]O)	107.0540	0.000	1	107.0540	0.000	1	108.7397	1.009	24	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6,6]HH)(H)2{5|C<4>}	H(C[6]C[5,6,6]C[6]O)	107.6330	0.000	1	107.6330	0.000	1	108.7397	1.009	24	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[5,6,6]C[6]O)	106.4870	0.000	1	106.4870	0.000	1	108.7397	1.009	24	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,4|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]O)	108.3010	0.000	1	108.3010	0.000	1	108.7397	1.009	24	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HO)(H)2	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	H(C[6]C[5,6,6]C[6]O)	109.4720	0.000	1	109.4720	0.000	1	108.7397	1.009	24	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(OC)(H){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[5,6,6]C[6]O)	110.2310	0.000	1	110.2310	0.000	1	108.7397	1.009	24	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[5,6,6]C[6]O)	108.4610	0.000	1	108.4610	0.000	1	108.7397	1.009	24	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6]HH)(OH)(H){3|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|O<2>}	H(C[6]C[5,6,6]C[6]O)	108.6180	0.168	2	108.6180	0.028	2	108.7397	1.009	24	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]HI)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)(I)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]HI)(OH)(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)(I){5|C<4>}	H(C[6]C[5,6,6]C[6]O)	108.9760	0.000	1	108.9760	0.000	1	108.9760	0.000	1	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]C)	107.9710	0.000	1	108.2773	0.100	3	108.2583	2.152	11	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN)(H){1|N<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]C)	108.4305	0.244	2	108.2773	0.100	3	108.2583	2.152	11	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(CN)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(CN)(H){2|H<1>,2|S<2>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]C)	112.3450	0.000	1	112.3450	0.000	1	108.2583	2.152	11	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CC)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]C)	107.7480	0.000	1	107.7480	0.000	1	108.2583	2.152	11	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CN)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CN)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.7150	0.000	1	107.7150	0.000	1	108.2583	2.152	11	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CC)(H)	C[6](C[6]C[5,6]CH)2(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CC)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.8960	0.907	3	107.8960	0.822	3	108.2583	2.152	11	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(CN)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(CN)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]C)	107.3450	0.000	1	107.3450	0.000	1	108.2583	2.152	11	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CN)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CN)(H){4|C<4>,6|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.1680	0.000	1	107.1680	0.000	1	108.2583	2.152	11	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(NC)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]N)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(NC)(H){3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]N)	107.8010	0.000	1	107.8010	0.000	1	107.8010	0.000	1	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[3,6,6]HH)(OH)(H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]2C)(C[6]C[3,6,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HO)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]O)	107.8580	0.000	1	107.8580	0.000	1	107.8580	0.000	1	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6]HH)(OC)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6]HH)(OC)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5,6]HO)(H)2{1|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]O)	106.9380	0.000	1	106.9380	0.000	1	107.6950	2.366	3	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]HH)(OH)(H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]HH)(OH)(H){4|C<4>,4|H<1>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]HO)(H)2{2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]O)	109.4650	0.000	1	109.4650	0.000	1	107.6950	2.366	3	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]HH)(OH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]HH)(OH)(H){1|H<1>,1|O<2>,4|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]HO)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]O)	106.6820	0.000	1	106.6820	0.000	1	107.6950	2.366	3	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,5,6]HH)(OH)(H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,5,6]HH)(OH)(H){1|O<1>,1|O<2>,5|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]HO)(H)2{2|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]O)	111.1930	0.000	1	111.1930	0.000	1	111.1930	0.000	1	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[4x5,6,6]O[5]C)(C[6]C[5,6,6]HH)(OH)(H)	C[6](C[5,6,6]C[3x5,3x6]C[5,6]H)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[4x5,6,6]O[5]C)(C[6]C[5,6,6]HH)(OH)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6,6]C[3x5,3x6]C[5,6]H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]O)	109.0230	0.000	1	109.0230	0.000	1	109.1813	0.887	6	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6,6]HH)(OH)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6,6]HH)(OH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[5,6]HO)(H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]O)	110.2065	1.053	2	110.2065	1.109	2	109.1813	0.887	6	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(OC)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]O[5])(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]O[5])(C[6]C[5,6]HO)(H)2{1|O<2>,2|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]O)	108.5507	0.051	3	108.5507	0.003	3	109.1813	0.887	6	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[5,6]HO)(H)2{2|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]O)	107.9850	0.515	4	107.9850	0.265	4	108.7387	0.605	12	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|O<2>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]O)	109.5735	0.030	2	109.5735	0.001	2	108.7387	0.605	12	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(OC)(H){1|C<2>,1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]O)	108.4530	0.000	1	108.4530	0.000	1	108.7387	0.605	12	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]O)	108.7810	0.873	2	108.7810	0.761	2	108.7387	0.605	12	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2{1|C<4>,1|N<2>,2|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]O)	108.7310	0.000	1	109.2540	0.547	2	108.7387	0.605	12	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]O)	109.7770	0.000	1	109.2540	0.547	2	108.7387	0.605	12	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2{1|C<4>,1|N<2>,2|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]O)	109.2540	0.000	1	109.2540	0.000	1	108.7387	0.605	12	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]O)	109.5340	0.000	1	109.5340	0.000	1	108.6507	0.612	187	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]O)	109.3100	0.000	1	109.3094	0.263	9	108.6507	0.612	187	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]O)	109.3094	0.548	8	109.3094	0.263	9	108.6507	0.612	187	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]O)	108.9650	0.000	1	108.9650	0.000	1	108.6507	0.612	187	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HO)(H)2{8|C<4>}	H(C[6]C[5,6]C[6]O)	108.5240	0.000	1	108.5240	0.000	1	108.6507	0.612	187	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]O)	107.9670	0.607	2	107.9670	0.368	2	108.6507	0.612	187	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]O)	107.0390	0.000	1	107.9043	0.573	3	108.6507	0.612	187	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HO)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]O)	108.4450	0.000	1	107.9043	0.573	3	108.6507	0.612	187	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HO)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]O)	108.2290	0.000	1	107.9043	0.573	3	108.6507	0.612	187	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]O)	108.7110	0.000	1	108.5962	0.698	122	108.6507	0.612	187	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]O)	108.5930	0.000	1	108.5962	0.698	122	108.6507	0.612	187	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]O)	108.7140	0.000	1	108.5962	0.698	122	108.6507	0.612	187	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|H<1>,2|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]O)	108.5760	0.000	1	108.5962	0.698	122	108.6507	0.612	187	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]O)	108.7440	0.000	1	108.5962	0.698	122	108.6507	0.612	187	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]O)	108.2750	0.000	1	108.5962	0.698	122	108.6507	0.612	187	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]O)	107.4170	0.000	1	108.5962	0.698	122	108.6507	0.612	187	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]O)	107.7370	1.122	3	108.5962	0.698	122	108.6507	0.612	187	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]O)	108.6294	0.838	112	108.5962	0.698	122	108.6507	0.612	187	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]O)	108.5810	0.000	1	108.5797	0.035	6	108.6507	0.612	187	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(H)2{3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]O)	108.5794	0.210	5	108.5797	0.035	6	108.6507	0.612	187	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H){1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]O)	109.8990	0.000	1	109.6130	0.121	4	108.6507	0.612	187	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H){2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]O)	109.5177	0.357	3	109.6130	0.121	4	108.6507	0.612	187	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OH)(H){2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]O)	108.9428	0.345	16	108.9428	0.119	16	108.6507	0.612	187	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]O)	107.8713	0.706	3	107.8713	0.498	3	108.6507	0.612	187	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]O)	108.7850	0.000	1	108.7850	0.000	1	108.6507	0.612	187	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6,6]HH)(OH)(H){3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HO)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]O)	109.5250	0.000	1	109.5250	0.000	1	108.6507	0.612	187	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(OC)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(H)2{1|C<3>,7|C<4>}	H(C[6]C[5,6]C[6]O)	109.1810	0.000	1	109.1810	0.000	1	108.6507	0.612	187	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6,6]HH)(OH)(H){2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]O)	108.3976	0.615	16	108.3976	0.378	16	108.6507	0.612	187	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]BrH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[5,6]HO)(Br)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]BrH)(OH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[5,6]HO)(Br)(H){1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[5,6]C[6]O)	111.5960	0.000	1	111.5960	0.000	1	111.5960	0.000	1	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]ClH)(OH)(H)	C[6](C[6]C[5,6]HO)2(Cl)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]ClH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HO)2(Cl)(H){1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]O)	109.1090	0.000	1	109.1090	0.000	1	109.1090	0.000	1	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]FH)(OH)(H)	C[6](C[6]C[5,6]FH)(C[6]C[5,6]HO)(F)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]FH)(OH)(H){1|F<1>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]FH)(C[6]C[5,6]HO)(F)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]O)	109.1540	0.772	2	109.1540	0.596	2	109.1540	0.596	2	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[3,5,6]N[5,6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[3,5,6]N[5,6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]O)	107.8980	1.626	2	107.8980	2.645	2	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(OSi)(H){1|C<3>,4|C<4>,6|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[5,6]C[6]O)	108.1015	0.998	2	108.1015	0.995	2	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]O)	108.5150	0.000	1	108.5150	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]O)	109.5630	0.000	1	109.5630	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]N[5,6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HO)(C[6]N[5,6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]O)	112.7340	0.000	1	112.7340	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]O)	107.9850	0.943	3	107.9850	0.890	3	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OC)(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HO)(H)2{5|C<4>}	H(C[6]C[5,6]C[6]O)	109.3723	0.381	3	109.3723	0.145	3	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HO)(H)2{1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]O)	108.3510	0.000	1	108.3510	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]O)	108.4820	0.000	1	108.3550	0.642	4	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]O)	109.4000	0.000	1	108.3550	0.642	4	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]O)	107.7690	0.362	2	108.3550	0.642	4	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HO)(H)2{5|C<4>}	H(C[6]C[5,6]C[6]O)	109.0225	0.209	2	109.0225	0.044	2	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(OC)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]O)	110.0050	0.000	1	110.0050	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5,6]C[6]O)	107.8530	0.000	1	107.8530	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]O)	108.0730	0.000	1	108.0730	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6a]C[5,6a]O)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6a]C[5,6a]O)(C[6]C[6]HH)(OC)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HO)(H)2{1|O<2>,3|C<3>}	H(C[6]C[5,6]C[6]O)	110.1040	0.000	1	110.1040	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[5,6]C[6]O)	109.7550	0.291	4	109.7550	0.085	4	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]O)	109.6990	0.000	1	109.6990	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]O)	109.1057	0.707	3	109.1057	0.500	3	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2Ru)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]2Ru)(C[6]C[6]HH)(OC)(H){1|Ru<6>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|Ru<6>,1|Ru<7>,1|C<4>,1|C<5>,1|H<1>}	H(C[6]C[5,6]C[6]O)	109.1735	0.957	2	109.1735	0.915	2	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(OC)(H){1|O<1>,4|H<1>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[5,6]C[6]O)	108.6230	0.054	2	108.6230	0.003	2	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|C<2>,1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]O)	124.7820	0.000	1	116.3170	143.312	2	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]O)	107.8520	0.000	1	116.3170	143.312	2	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|C<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]O)	108.6630	0.000	1	108.6630	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]O)	108.1940	0.000	1	108.1940	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OSi)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]O)	109.4700	0.000	1	109.4700	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(OH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]O)	106.0750	1.047	2	106.0750	1.095	2	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|Fe<8>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]O)	109.5110	0.879	8	109.5110	0.774	8	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|Fe<8>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]O)	109.4665	0.548	2	109.4665	0.300	2	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HO)(H)2{1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]O)	107.5190	0.000	1	107.5190	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]O)	108.6740	0.074	2	108.6740	0.005	2	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]O)	109.4640	0.000	1	109.4640	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OS)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]O)	110.3950	0.000	1	110.3950	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(OC)(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]O)	108.5220	0.000	1	108.5220	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(OH)(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]O)	107.9990	0.000	1	107.9990	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]O)	111.5743	1.281	4	111.5743	1.640	4	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[5,6]C[6]O)	109.4245	0.158	4	109.4245	0.025	4	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H){1|Br<1>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]O)	107.9160	0.000	1	108.1455	0.105	2	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|I<1>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]O)	108.3750	0.000	1	108.1455	0.105	2	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]O)	107.0350	0.000	1	107.0350	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(ON[6])(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(ON[6])(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[5,6]C[6]O)	109.5050	0.000	1	109.5050	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OOs)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OOs)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]O)	107.4570	0.000	1	107.4570	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[5,6]HO)2(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OS)(H){1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HO)2(H)2{1|C<4>,2|H<1>,2|N<2>}	H(C[6]C[5,6]C[6]O)	109.8090	0.525	2	109.8090	0.275	2	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]O)	109.4230	0.000	1	109.4230	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(OSi)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]O)	109.4820	0.000	1	109.4820	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]O)	109.3820	0.000	1	109.3820	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]O)	109.7980	0.000	1	109.7980	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]O)	108.3923	0.956	4	108.3923	0.914	4	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]O)	109.1610	0.369	2	109.1610	0.136	2	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]O)	109.8320	0.000	1	109.8320	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[5,6]C[6]O)	110.6250	0.000	1	110.6250	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,1|S<2>,3|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2{1|C<4>,2|H<1>,2|S<2>}	H(C[6]C[5,6]C[6]O)	109.1110	0.000	1	109.1110	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(OH)(H){1|Se<2>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2{2|Se<2>,3|C<4>}	H(C[6]C[5,6]C[6]O)	109.4970	0.000	1	109.4970	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]CN)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H){1|Se<2>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CN)(C[6]C[5,6]HO)(H)2{2|Se<2>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]O)	108.6040	0.000	1	108.9235	0.204	2	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]CN)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H){1|Se<2>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CN)(C[6]C[5,6]HO)(H)2{2|Se<2>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]O)	109.2430	0.000	1	108.9235	0.204	2	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H){1|Se<2>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2{2|Se<2>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]O)	108.8960	0.000	1	109.0990	0.082	2	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H){1|Se<2>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2{2|Se<2>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]O)	109.3020	0.000	1	109.0990	0.082	2	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(OC)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]O)	110.1290	0.000	1	110.1290	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]O)	108.6190	0.000	1	108.6190	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]O)	108.7110	0.000	1	108.7110	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5,6]C[6]O)	108.5110	0.409	3	108.2840	0.423	6	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5,6]C[6]O)	108.5290	0.365	2	108.2840	0.423	6	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]O)	107.1130	0.000	1	108.2840	0.423	6	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HO)(H)2{1|H<1>,5|C<3>}	H(C[6]C[5,6]C[6]O)	109.2750	0.000	1	109.2750	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OS)(H){1|C<4>,2|C<3>,8|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]O)	109.4340	0.000	1	109.4340	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(OC)(H){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]O)	109.1860	0.000	1	109.1860	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]O)	110.9950	0.000	1	110.9950	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(OH)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]O)	108.5870	0.000	1	108.5870	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]HH)(OS)(H){4|C<3>,6|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HO)(H)2{2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]O)	110.0000	0.000	1	110.0000	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6a]CO)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6a]CO)(C[6]C[5,6]HO)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[5,6]C[6]O)	109.1730	0.000	1	109.1730	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(OSi)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]O)	107.7090	0.000	1	107.7090	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[5,6]C[6]O)	109.5760	0.000	1	109.5760	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]O)	109.2710	0.000	1	109.2710	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]O)	110.9560	0.000	1	110.9560	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[5,6]C[6]O)	109.9130	0.000	1	109.7978	0.109	4	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[5,6]C[6]O)	109.9860	0.000	2	109.7978	0.109	4	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){3|C<3>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[5,6]C[6]O)	109.3060	0.000	1	109.7978	0.109	4	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OS)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[5,6]C[6]O)	110.2920	0.000	1	110.2920	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,5,6]CH)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[5,5,6]CH)(C[6]C[5,6]HO)(H)2{1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]O)	108.7880	0.000	1	108.7880	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HO)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]O)	106.0390	0.000	1	106.0390	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)2(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]HO)2(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]O)	106.8320	0.000	1	106.8320	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)2(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)2(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]O)	111.3910	0.000	1	111.3910	0.000	1	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]N[5a]H)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[5,6]N[5a]H)(C[6]C[5,6]HO)(H)2{1|C<4>,2|H<1>,2|N<2>,2|O<2>}	H(C[6]C[5,6]C[6]O)	109.5347	0.411	3	109.5347	0.169	3	109.2095	3.339	125	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(N[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HO)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]O)	108.5120	0.000	1	108.5120	0.000	1	108.5120	0.000	1	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]P[6]HH)(OC)(H)	C[6](P[6]C[6a]O[6]O)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]P[6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[6](P[6]C[6a]O[6]O)(C[6]C[5,6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5,6]C[6]O)	109.9150	0.000	1	109.9150	0.000	1	109.9150	0.000	1	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2O[5])(C[6]C[6,6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O[6]H)(H)2	H(C[6]C[5,6]C[6]O[6])	C[6](C[5,6]C[5,6]2O[5])(C[6]C[6,6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O[6]H)(H)2{1|O<2>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]O[6])	106.5040	0.000	1	106.5040	0.000	1	106.5040	0.000	1	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:S-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HH)(SC)(H)	C[6](C[6]C[5,6]HS)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]S)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HH)(SC)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HS)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]S)	106.9320	0.000	1	106.9320	0.000	1	106.9320	0.000	1	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]2H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]O[6])	C[6](C[5]C[5]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5]C[6]O[6])	108.6700	0.000	1	108.6700	0.000	1	108.2483	0.289	7	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]O[6])	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[5]C[6]O[6])	108.9450	0.000	1	108.2180	0.510	3	108.2483	0.289	7	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]O[6])	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H){4|C<4>,5|H<1>}	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,5|C<4>}	H(C[6]C[5]C[6]O[6])	108.1920	0.000	1	108.2180	0.510	3	108.2483	0.289	7	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]O[6])	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H){4|C<4>,5|H<1>}	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(H)2{2|O<2>,4|C<4>}	H(C[6]C[5]C[6]O[6])	107.5170	0.000	1	108.2180	0.510	3	108.2483	0.289	7	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[5]O[6]H)(C[6]C[6]SS)(H)2	H(C[6]C[5]C[6]O[6])	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,2|S<4>,3|C<4>,3|H<1>}	C[6](C[6]C[5]O[6]H)(C[6]C[6]SS)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5]C[6]O[6])	108.7070	0.000	1	108.7070	0.000	1	108.2483	0.289	7	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[5]O[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[5]C[6]O[6])	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[5]O[6]H)(C[6]O[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5]C[6]O[6])	107.8535	0.093	2	107.8535	0.009	2	108.2483	0.289	7	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5x6]C[5,6,6]C[3x6]C[4x6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5x6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[5x6]C[6]O)	C[6](C[5x6]C[5,6,6]C[3x6]C[4x6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,4|C<4>,5|H<1>}	C[6](C[6]C[5x6]HO)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[5x6]C[6]O)	109.6430	0.000	1	109.6430	0.000	1	109.6430	0.000	1	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC)(H){1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	107.8680	0.000	1	107.8680	0.000	1	108.0260	0.050	2	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(CN)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(CN)(H){2|H<1>,2|S<2>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]C)	108.1840	0.000	1	108.1840	0.000	1	108.0260	0.050	2	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(OH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HO)(H)2{4|C<4>}	H(C[6]C[6,6]C[6]O)	107.2270	0.000	1	107.2270	0.000	1	107.2270	0.000	1	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(OC)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(OC)(H){1|C<3>,7|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HO)(H)2{1|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	108.9973	0.300	3	108.9973	0.090	3	108.9973	0.090	3	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OC)(H){1|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	108.2930	0.070	3	108.2930	0.005	3	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	108.4865	0.046	2	108.7190	1.599	5	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	109.3810	2.161	2	108.7190	1.599	5	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	107.8600	0.000	1	108.7190	1.599	5	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OC)(H){1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	109.7810	0.000	1	109.7810	0.000	1	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	108.0350	0.000	1	107.9330	0.759	6	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	108.2580	0.093	2	107.9330	0.759	6	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	106.1920	0.000	1	107.9330	0.759	6	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	108.4275	0.207	2	107.9330	0.759	6	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(OC)(H){1|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|H<1>,1|N<3>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]O)	108.3400	0.000	1	108.3400	0.000	1	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	107.9830	0.000	1	107.9830	0.000	1	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]O)	107.6270	0.000	1	107.6270	0.000	1	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[5,6]HH)(OH)(H){1|C<3>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]O)	108.3580	0.055	3	108.3580	0.003	3	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2Br)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2Br)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|Br<1>,1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]O)	107.8380	0.000	1	107.6855	0.047	2	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2Br)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2Br)(C[6]C[5,6]HH)(OH)(H){1|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|Br<1>,1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]O)	107.5330	0.000	1	107.6855	0.047	2	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5]2O[6])(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(OC)(H){1|H<1>,1|O<2>,6|C<4>}	C[6](C[5,6]C[5]2O[6])(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	107.3970	0.000	1	107.3970	0.000	1	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2Cl)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2Cl)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|Cl<1>,1|H<1>,1|O<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	107.9720	0.000	1	107.8391	0.095	7	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2Cl)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2Cl)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|Cl<1>,1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]O)	107.8170	0.332	6	107.8391	0.095	7	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(OC)(H){1|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|F<1>,1|H<1>,1|O<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	110.1270	0.000	1	110.1270	0.000	1	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|F<1>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]O)	107.2130	0.000	1	107.2130	0.000	1	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|F<1>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]O)	107.7442	0.389	5	107.3777	0.927	6	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|F<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	105.5450	0.000	1	107.3777	0.927	6	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	109.2350	0.000	1	109.5733	0.195	4	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	109.8330	0.000	1	109.5733	0.195	4	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H){1|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]O)	109.1660	0.000	1	109.5733	0.195	4	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H){2|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	110.0590	0.000	1	109.5733	0.195	4	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){3|C<3>,5|C<4>}	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	108.6380	0.000	1	108.6380	0.000	1	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	108.8030	0.000	1	108.8125	0.000	2	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	108.8220	0.000	1	108.8125	0.000	2	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	107.4180	0.204	4	107.4180	0.042	4	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	107.2250	0.000	1	107.2250	0.000	1	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	107.4250	0.158	4	107.2494	1.922	13	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	106.9090	0.330	2	107.2494	1.922	13	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	103.2680	0.000	1	107.2494	1.922	13	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	108.5600	0.000	1	107.2494	1.922	13	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]O)	108.3340	0.000	1	107.2494	1.922	13	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	107.0970	0.000	1	107.2494	1.922	13	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]O)	109.0900	0.000	1	107.2494	1.922	13	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	107.6120	0.000	1	107.2494	1.922	13	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]O)	106.7630	0.000	1	107.2494	1.922	13	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]O)	108.3600	0.000	1	108.3600	0.000	1	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OS)(H)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OS)(H){1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	109.4095	0.012	2	109.4095	0.000	2	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(OH)(H){3|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]O)	109.4910	0.000	1	109.4910	0.000	1	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OC)(H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	111.5290	0.000	1	111.5290	0.000	1	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	109.3740	0.161	2	109.3740	0.026	2	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OS)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OS)(H){4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	109.3430	0.000	1	109.3430	0.000	1	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]HH)(OH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]O)	106.7420	0.000	1	106.7420	0.000	1	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|C<4>,1|N<2>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]O)	109.9100	0.000	1	109.4560	0.590	6	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|C<4>,1|N<3>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]O)	109.4640	0.583	3	109.4560	0.590	6	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	108.2300	0.000	1	109.4560	0.590	6	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|N<4>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	110.2040	0.000	1	109.4560	0.590	6	108.2226	1.446	79	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{2|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]O)	109.8300	0.000	1	109.8300	0.000	1	108.6468	0.871	148	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{2|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]O)	108.9633	0.348	3	108.8942	0.100	4	108.6468	0.871	148	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{8|C<4>}	H(C[6]C[6,6]C[6]O)	108.6870	0.000	1	108.8942	0.100	4	108.6468	0.871	148	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2{1|C<3>,7|C<4>}	H(C[6]C[6,6]C[6]O)	108.6820	0.000	1	108.6820	0.000	1	108.6468	0.871	148	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{3|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]O)	109.4350	0.000	1	109.4350	0.000	1	108.6468	0.871	148	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2{1|C<3>,7|C<4>}	H(C[6]C[6,6]C[6]O)	107.5130	0.000	1	107.5130	0.000	1	108.6468	0.871	148	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H){2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]O)	109.5610	0.000	1	109.0314	0.215	5	108.6468	0.871	148	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	108.8990	0.412	4	109.0314	0.215	5	108.6468	0.871	148	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	110.4020	0.000	1	108.6686	0.897	93	108.6468	0.871	148	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	108.4300	0.000	1	108.6686	0.897	93	108.6468	0.871	148	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	108.6521	0.939	91	108.6686	0.897	93	108.6468	0.871	148	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|O<2>,7|C<4>}	H(C[6]C[6,6]C[6]O)	107.6590	0.000	1	107.6590	0.000	1	108.6468	0.871	148	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OC)(H){2|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]O)	109.6540	0.000	1	109.6540	0.000	1	108.6468	0.871	148	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,6|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6,6]HO)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]O)	108.7790	0.000	1	108.7790	0.000	1	108.6468	0.871	148	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	106.7090	0.000	1	106.7090	0.000	1	108.6468	0.871	148	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]O)	107.9335	0.974	2	107.9335	0.948	2	108.6468	0.871	148	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|O<2>,7|C<4>}	H(C[6]C[6,6]C[6]O)	110.5000	0.000	1	110.5000	0.000	1	108.6468	0.871	148	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OC)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2{8|C<4>}	H(C[6]C[6,6]C[6]O)	107.3485	0.227	2	107.3485	0.052	2	108.6468	0.871	148	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	106.4150	0.000	1	106.4150	0.000	1	108.6468	0.871	148	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|Cl<1>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	108.4070	0.089	2	108.4070	0.008	2	108.6468	0.871	148	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H){8|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HO)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]O)	109.6415	0.537	4	109.6415	0.288	4	108.6468	0.871	148	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	108.8890	0.000	1	108.8890	0.000	1	108.6468	0.871	148	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<2>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]O)	110.2430	0.000	1	109.4700	0.690	3	108.6468	0.871	148	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H){4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	109.0835	0.695	2	109.4700	0.690	3	108.6468	0.871	148	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H){8|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HO)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]O)	108.7297	0.688	4	108.7297	0.473	4	108.6468	0.871	148	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	108.4120	0.000	1	108.4433	0.305	4	108.6468	0.871	148	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	108.4537	0.676	3	108.4433	0.305	4	108.6468	0.871	148	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,7|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	109.3910	0.000	1	107.9170	4.345	2	108.6468	0.871	148	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H){8|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	106.4430	0.000	1	107.9170	4.345	2	108.6468	0.871	148	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	109.2620	0.000	1	109.2620	0.000	1	108.6468	0.871	148	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|N<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	108.1240	0.000	1	108.1240	0.000	1	108.6468	0.871	148	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OC)(H){1|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	107.9680	0.000	1	107.9680	0.000	1	108.6468	0.871	148	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	107.9475	0.483	4	107.9475	0.233	4	108.6468	0.871	148	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(ON)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(ON)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	108.3950	0.403	2	108.3950	0.162	2	108.6468	0.871	148	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]HH)(OH)(H){3|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HO)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	108.8550	0.000	1	108.8550	0.000	1	108.6468	0.871	148	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[6,6]C[6]O)	108.4560	0.000	1	108.5440	0.015	2	108.6468	0.871	148	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|O<2>,2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]O)	108.6320	0.000	1	108.5440	0.015	2	108.6468	0.871	148	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]O[6]2)(C[6]C[6]ClH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6,6]HO)(Cl)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6a]O[6]2)(C[6]C[6]ClH)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6,6]HO)(Cl)(H){2|C<3>,2|O<2>}	H(C[6]C[6,6]C[6]O)	108.9770	0.000	1	108.9770	0.000	1	108.9770	0.000	1	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]FF)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(F)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]FF)(OH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(F)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	109.2705	0.115	2	109.2705	0.013	2	109.2705	0.013	2	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,3x6]C[6]2)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3,3x6]C[6]2)(C[6]C[6]HH)(OSi)(H){1|O<2>,4|C<4>,6|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]O)	107.7750	0.000	1	107.7750	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6,6]HO)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]O)	108.0790	0.000	1	108.0790	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]O)	107.4570	0.000	1	107.4570	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]O)	108.2900	0.000	1	108.2900	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	108.7860	0.000	1	108.7860	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]C[5]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(OC)(H){2|C<3>,6|C<4>}	C[6](C[6]C[6,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]O)	109.0090	0.000	1	109.0090	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(OH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]O)	108.1110	0.000	1	108.1110	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	108.0830	0.000	1	108.0830	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]O)	109.3750	0.000	1	109.3750	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]O)	106.8560	0.000	1	106.8560	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]O)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3x6]O[6]O)(C[6]C[6]HH)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2{2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]O)	107.5580	0.000	1	107.5580	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[4,3x6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[4,6,6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[4,3x6]C[6]H)(C[6]C[6]HH)(OC)(H){1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[4,6,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]O)	107.1510	0.000	1	107.1510	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]O)	107.4450	0.000	1	107.4450	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]O)	108.2470	0.008	2	108.2470	0.000	2	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]N[5,6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]N[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]O)	109.3950	0.000	1	109.3950	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OSi)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]O)	108.5640	0.000	1	108.5640	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]HH)(OH)(H){2|C<3>,5|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]O)	110.0530	1.259	2	109.1100	1.755	4	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]HH)(OH)(H){3|C<3>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]O)	108.1670	0.354	2	109.1100	1.755	4	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HO)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]O)	108.8486	0.229	5	108.8486	0.052	5	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	108.8835	0.053	2	108.5100	0.420	3	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]O)	107.7630	0.000	1	108.5100	0.420	3	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HO)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]O)	107.5808	0.924	5	107.9251	0.927	7	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HO)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]O)	108.9800	0.000	1	107.9251	0.927	7	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|N<4>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HO)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]O)	108.5920	0.000	1	107.9251	0.927	7	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HO)(H)2{1|C<2>,1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]O)	106.3420	0.000	1	106.3420	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]O)	107.4510	0.000	1	107.6850	0.042	3	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	107.8020	0.037	2	107.6850	0.042	3	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]O)	109.0060	0.263	2	109.0060	0.069	2	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	107.1790	0.000	1	107.6893	0.120	4	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	107.8225	0.078	2	107.6893	0.120	4	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	107.9330	0.000	1	107.6893	0.120	4	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]N[5,6]CH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|N<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]N[5,6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]O)	108.9430	0.000	1	108.9430	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]N[5,6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]N[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]O)	110.0340	0.000	1	110.0340	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]O)	109.1275	0.180	2	109.1275	0.033	2	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]O)	109.2990	0.000	1	109.2990	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]O)	109.1085	0.012	2	109.1085	0.000	2	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]O)	108.6480	0.000	1	108.2915	0.254	2	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]O)	107.9350	0.000	1	108.2915	0.254	2	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(OC)(H){2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HO)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]O)	109.7110	0.000	1	109.7110	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(OH)(H){2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HO)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]O)	108.7900	0.000	1	108.7900	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]O)	108.9220	0.953	2	108.9220	0.909	2	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]O)	108.9970	0.000	1	108.7995	0.080	4	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]O)	108.7337	0.307	3	108.7995	0.080	4	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]O)	109.1460	0.000	1	109.1585	0.000	2	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	109.1710	0.000	1	109.1585	0.000	2	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]O)	108.0910	0.000	1	108.1224	0.060	9	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]O)	108.1342	0.197	4	108.1224	0.060	9	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]O)	108.6100	0.000	1	108.1224	0.060	9	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|O<1>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]O)	107.8240	0.000	1	108.1224	0.060	9	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]O)	108.0200	0.106	2	108.1224	0.060	9	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]O)	108.8330	0.000	1	108.8330	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OC)(H){1|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	109.3700	0.000	1	109.3700	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]O)	109.7000	0.000	1	109.7000	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H){2|C<3>,5|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	107.5260	0.000	1	107.5260	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H){1|C<2>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	108.2300	0.000	1	108.2300	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,6|C<4>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]O)	107.8980	0.000	1	107.8980	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(OC)(H){1|O<2>,4|C<4>,6|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]O)	107.6730	0.000	1	107.6730	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]BrH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|Br<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]BrH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]O)	108.1510	0.000	1	108.1510	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	108.2630	0.000	1	108.5646	0.200	7	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]O)	108.9560	0.071	2	108.5646	0.200	7	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	108.4442	0.496	4	108.5646	0.200	7	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]O)	107.8040	0.000	1	108.7103	1.071	8	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]O)	108.4955	0.005	2	108.7103	1.071	8	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]O)	108.6140	0.000	1	108.7103	1.071	8	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]O)	108.6330	0.000	1	108.7103	1.071	8	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]O)	107.9810	0.000	1	108.7103	1.071	8	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]O)	108.5010	0.000	1	108.7103	1.071	8	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]O)	111.1580	0.000	1	108.7103	1.071	8	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){3|H<1>,5|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]O)	108.2900	0.000	1	108.2900	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	107.9770	0.497	3	107.9470	0.379	6	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]O)	108.7300	0.000	1	107.9470	0.379	6	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]O)	107.9600	0.000	1	107.9470	0.379	6	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	107.0610	0.000	1	107.9470	0.379	6	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]O)	107.9120	0.000	1	108.2237	0.310	4	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]O)	108.1340	0.000	1	108.2237	0.310	4	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|N<2>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	109.0350	0.000	1	108.2237	0.310	4	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]O)	107.8140	0.000	1	108.2237	0.310	4	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]O)	108.8410	0.000	1	108.1770	0.422	7	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]O)	108.1130	0.699	5	108.1770	0.422	7	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	107.8330	0.000	1	108.1770	0.422	7	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]O)	108.6770	0.000	1	108.6770	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]O)	110.0800	0.000	1	110.0800	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	109.1102	0.265	5	109.1102	0.070	5	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	109.0290	0.000	1	109.2882	4.026	6	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<4>}	H(C[6]C[6,6]C[6]O)	110.4180	0.000	1	109.2882	4.026	6	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]O)	110.5990	0.000	1	109.2882	4.026	6	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]O)	110.0020	0.000	1	109.2882	4.026	6	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	105.3540	0.000	1	109.2882	4.026	6	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){3|H<1>,5|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	110.3270	0.000	1	109.2882	4.026	6	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HO)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]O)	109.5050	0.000	1	109.5050	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]S[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|S<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HO)(C[6]S[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]O)	109.4290	0.000	1	109.4290	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]O)	107.1850	0.020	2	107.1850	0.000	2	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HO)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]O)	109.0680	0.000	1	109.0680	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|O<1>,1|S<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	108.4630	0.000	1	107.5413	0.857	3	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]O)	107.0805	0.663	2	107.5413	0.857	3	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|O<2>,7|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	107.7130	0.000	1	107.7130	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OS)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]O)	110.7030	0.000	1	110.7030	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OSi)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	109.9320	0.000	1	108.7747	1.011	3	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OSi)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	108.1960	0.112	2	108.7747	1.011	3	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HH)(OH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	109.5220	0.000	1	109.5220	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OC)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]O)	109.1200	0.000	1	109.1200	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]O)	108.8310	0.829	2	108.7410	0.368	3	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]O)	108.5610	0.000	1	108.7410	0.368	3	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]O)	107.8770	0.000	1	107.8770	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]O)	108.1970	0.000	1	108.1970	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]O)	108.2460	0.000	1	108.2460	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(OH)(H){1|Cl<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6,6]C[6]O)	108.8160	0.000	1	108.8160	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]O)	108.7700	0.337	2	108.7700	0.113	2	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]O)	110.5880	0.000	1	110.5880	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]O)	107.7140	0.035	3	107.7140	0.001	3	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]O)	107.7720	0.000	1	107.7720	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]O)	108.8205	1.071	2	108.8205	1.148	2	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]O)	109.5980	0.000	1	109.5980	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(OH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]O)	109.4220	0.000	1	109.4220	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]O)	109.0640	0.000	1	109.0640	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(OC)(H){1|O<1>,1|S<4>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]O)	109.3610	0.229	3	109.3610	0.052	3	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(OH)(H){1|O<1>,1|O<2>,1|S<4>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]O)	108.5260	0.000	1	108.5260	0.000	1	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]O)	108.8680	0.000	1	108.3180	0.605	2	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]O)	107.7680	0.000	1	108.3180	0.605	2	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]O)	108.9070	0.000	1	108.8670	0.971	3	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]O)	108.8470	1.393	2	108.8670	0.971	3	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	109.3495	0.052	2	109.3495	0.003	2	108.5363	0.796	173	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(CC[6a]CO)(O[6]C[6])(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(CC[6a]CO)(O[6]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.0945	0.501	2	108.0945	0.251	2	108.4112	0.585	4	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(CC[6a]HN)(O[6]C[6])(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(CC[6a]HN)(O[6]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	109.4700	0.000	1	109.4700	0.000	1	108.4112	0.585	4	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(CC[6a]HS)(O[6]C[6])(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(CC[6a]HS)(O[6]C[6])(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	107.9860	0.000	1	107.9860	0.000	1	108.4112	0.585	4	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[5]C[5]2H)(O[6]C[5,6])(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]O[6]H)(H)2	H(C[6]C[5]C[6]O[6])	C[6](C[6]C[5,6]HH)(C[5]C[5]2H)(O[6]C[5,6])(H){1|H<1>,1|O<1>,2|O<2>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]O[6]H)(H)2{1|C<3>,1|H<1>,2|O<2>,5|C<4>}	H(C[6]C[5]C[6]O[6])	107.0340	0.000	1	107.0340	0.000	1	107.0340	0.000	1	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[5]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[5]C[5]2O)(O[6]C[6])(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5]O[6]H)(H)2	H(C[6]C[5]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[5]C[5]2O)(O[6]C[6])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>,3|O<2>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5]O[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[5]C[6]O[6])	108.4270	0.000	1	108.4270	0.000	1	108.4270	0.000	1	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CN)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CN)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	110.6150	0.000	1	110.6150	0.000	1	110.6150	0.000	1	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	103.2890	0.000	1	103.2890	0.000	1	103.2890	0.000	1	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	117.7180	0.000	1	117.7180	0.000	1	109.1590	7.778	17	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.4770	0.000	1	107.4770	0.000	1	109.1590	7.778	17	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CN)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CN)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2C)	113.2970	0.000	1	113.2970	0.000	1	109.1590	7.778	17	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.0040	0.000	1	108.0040	0.000	1	109.1590	7.778	17	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.2970	0.000	1	107.7330	0.178	4	109.1590	7.778	17	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.8783	0.374	3	107.7330	0.178	4	109.1590	7.778	17	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.3360	0.000	1	107.3360	0.000	1	109.1590	7.778	17	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6])(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2C)	109.3510	0.004	2	109.3510	0.000	2	109.1590	7.778	17	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.2420	0.201	2	108.7062	3.321	6	109.1590	7.778	17	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	110.9145	1.190	2	108.7062	3.321	6	109.1590	7.778	17	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.9620	0.033	2	108.7062	3.321	6	109.1590	7.778	17	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Ge-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(GeN)(H)	C[6](C[6]C[6]GeH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2Ge)	C[6](C[6]C[6]HH)2(GeN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]GeH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2Ge)	111.3210	0.089	2	111.3210	0.008	2	111.3210	0.008	2	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NN)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NN)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2N)	109.1730	0.000	1	109.1730	0.000	1	109.1730	0.000	1	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NC)(H)	C[6](C[6]C[6]HN)2(Br)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NC)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]HN)2(Br)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2N)	104.2460	0.000	1	104.2460	0.000	1	104.2460	0.000	1	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HN)(H)2{2|C<3>,3|H<1>}	H(C[6]C[6]2N)	108.2940	0.000	1	108.2940	0.000	1	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NN)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NN)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	109.1693	0.177	3	109.1808	0.021	4	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NN)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NN)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2N)	109.2150	0.000	1	109.1808	0.021	4	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(NN)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(NN)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2{1|C<2>,1|H<1>,2|C<3>}	H(C[6]C[6]2N)	109.6900	0.000	1	109.6900	0.000	1	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2N)	109.3250	0.000	1	109.3250	0.000	1	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	106.8060	0.000	1	106.8060	0.000	1	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2N)	109.2936	0.672	273	109.2906	0.443	284	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	109.2250	0.523	10	109.2906	0.443	284	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	109.1420	0.000	1	109.2906	0.443	284	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[5])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[5])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2N)	109.7715	0.866	2	109.7715	0.750	2	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMn)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMn)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2N)	100.2342	7.307	13	100.2342	53.390	13	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NN)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2N)	109.0380	0.000	1	109.0380	0.000	1	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	108.8430	0.000	1	108.8430	0.000	1	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	108.0890	0.000	1	108.0890	0.000	1	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC)(H)	C[6](C[6]C[6]HN)2(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	108.9190	0.253	4	108.9190	0.064	4	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NN)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NN)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	108.0600	0.000	1	108.0600	0.000	1	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[6]2N)	103.5700	0.000	1	103.5700	0.000	1	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CN)(NN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]O[6]CN)(NN)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]2N)	108.7690	0.000	1	108.7690	0.000	1	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC)(H){5|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	110.0923	1.851	6	110.0923	3.427	6	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2N)	109.1344	0.245	24	109.0188	0.590	211	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	108.8269	1.301	8	109.0188	0.590	211	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	109.0119	0.786	179	109.0188	0.590	211	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC)(H){1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2N)	111.5050	1.257	2	110.8288	1.917	34	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2N)	110.7866	1.399	32	110.8288	1.917	34	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2N)	109.7635	0.049	2	109.7635	0.002	2	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	C[6](C[6]C[6]HN)2(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,2|H<1>,2|N<2>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	109.0993	0.863	25	109.0993	0.745	25	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[4])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[4])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	109.1379	0.347	10	109.1379	0.120	10	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[4a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[4a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	109.2445	0.112	4	109.2445	0.013	4	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[5])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[5])(H){1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	109.0695	0.274	2	109.0628	0.554	23	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[5])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[5])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	109.0621	0.778	21	109.0628	0.554	23	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[5])(H)	C[6](C[6]C[6]HN)2(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[5])(H){1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	109.0810	0.229	2	109.0810	0.052	2	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[5a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[5a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.5537	0.593	9	108.5537	0.352	9	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	109.3559	0.399	10	109.3559	0.159	10	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6])(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6])(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2N)	112.4140	0.549	2	112.4140	0.301	2	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.9925	0.009	2	107.9925	0.000	2	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2N)	108.8100	0.023	2	108.8100	0.001	2	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NMo)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NMo)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.8403	0.874	18	107.8403	0.763	18	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.0500	0.052	2	108.0500	0.003	2	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NN)(H)	C[6](C[6]C[6]HN)2(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NN)(H){1|C<4>,2|H<1>,2|N<2>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	109.2405	0.209	6	109.2405	0.044	6	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.7642	0.337	6	107.7642	0.114	6	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NP[3x6])(H)	C[6](C[6]C[6]HN)2(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NP[3x6])(H){1|C<4>,2|H<1>,2|N<2>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	109.1162	0.334	6	109.1162	0.112	6	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NP[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NP[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.0938	0.342	22	108.0938	0.117	22	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.7095	1.361	4	107.7095	1.853	4	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	109.5400	0.268	5	109.5400	0.072	5	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NC)(H){1|In<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	109.0360	0.000	1	109.0360	0.000	1	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(NN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(NN)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2N)	109.0150	0.000	1	109.0150	0.000	1	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(NN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(NN)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2N)	105.6080	0.000	1	105.6080	0.000	1	108.9889	3.172	731	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,5,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[3,5,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2O)	109.6720	0.000	1	109.6720	0.000	1	109.6720	0.000	1	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]HO)(H)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.3940	0.000	1	109.3940	0.000	1	109.4298	0.843	9	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.9265	0.054	2	109.7200	0.088	5	109.4298	0.843	9	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2O)	109.5823	0.323	3	109.7200	0.088	5	109.4298	0.843	9	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2O)	107.5220	0.000	1	107.5220	0.000	1	109.4298	0.843	9	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.6260	0.000	1	108.6260	0.000	1	109.4298	0.843	9	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(OS)(H)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(OS)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2O)	110.7260	0.000	1	110.7260	0.000	1	109.4298	0.843	9	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HH)(OSi)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HH)(OSi)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	106.3260	0.000	1	106.3260	0.000	1	108.7115	1.061	10	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(OC[6a])(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(OC[6a])(H){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HO)(H)2{2|H<1>,4|C<4>}	H(C[6]C[6]2O)	108.2830	0.337	2	108.2830	0.113	2	108.7115	1.061	10	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(OH)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(H)2{4|H<1>,5|C<4>}	H(C[6]C[6]2O)	108.4200	0.000	1	108.4200	0.000	1	108.7115	1.061	10	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.5080	0.000	1	109.5080	0.000	1	108.7115	1.061	10	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2O)	109.5250	0.356	2	109.5250	0.127	2	108.7115	1.061	10	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OSi)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OSi)(H){1|O<2>,4|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.6840	0.000	1	109.6840	0.000	1	108.7115	1.061	10	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,1|S<4>,2|H<1>}	H(C[6]C[6]2O)	108.7805	0.506	2	108.7805	0.256	2	108.7115	1.061	10	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2O)	110.5500	2.687	3	110.0007	6.020	4	109.8290	4.662	5	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.3530	0.000	1	110.0007	6.020	4	109.8290	4.662	5	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(OSi)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.1420	0.000	1	109.1420	0.000	1	109.8290	4.662	5	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H)	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2O)	109.0420	0.407	3	108.9400	0.152	4	108.6387	1.753	9	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H)	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2O)	108.6340	0.000	1	108.9400	0.152	4	108.6387	1.753	9	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OH)(H)	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2O)	108.3976	1.797	5	108.3976	3.228	5	108.6387	1.753	9	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.6520	0.000	1	109.6520	0.000	1	109.6575	0.000	2	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[4x6]C[6,6,6a]C[3x6]C[6,6])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,4|C<4>}	C[6](C[4x6]C[6,6,6a]C[3x6]C[6,6])(C[6]C[6]HO)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2O)	109.6630	0.000	1	109.6630	0.000	1	109.6575	0.000	2	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(C[6]O[6]CC)(OH)(H)	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,3x6]HH)(C[6]O[6]CC)(OH)(H){1|C<3>,2|C<4>}	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[6]C[6]HO)(H)2{1|O<1>,2|H<1>,2|O<2>,5|C<4>}	H(C[6]C[6]2O)	108.2630	0.000	1	108.2630	0.000	1	108.2630	0.000	1	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]O[6]CC)(OH)(H)	C[6](C[5,5,6,6]C[3x5,6]C[5,6]2)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,5,6,6]HH)(C[6]O[6]CC)(OH)(H){1|C<3>,2|C<4>}	C[6](C[5,5,6,6]C[3x5,6]C[5,6]2)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]2O)	108.7480	0.000	1	108.7480	0.000	1	108.7480	0.000	1	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CO)(OH)(H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CO)(OH)(H){1|H<1>,4|C<4>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HO)(H)2{1|O<2>,4|H<1>,6|C<4>}	H(C[6]C[6]2O)	106.0750	0.000	1	106.0750	0.000	1	107.6190	1.436	4	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]CO)(OH)(H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]CO)(OH)(H){5|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HO)(H)2{1|C<3>,2|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6]2O)	107.4530	0.000	1	107.4530	0.000	1	107.6190	1.436	4	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2O)	108.0080	0.000	1	108.0080	0.000	1	107.6190	1.436	4	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HO)(H)2{2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2O)	108.9400	0.000	1	108.9400	0.000	1	107.6190	1.436	4	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[5,6,6]HH)(OH)(H)	C[6](C[5,6,6]C[5,6]O[6,6]C[5])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6,6]CH)(C[6]C[5,6,6]HH)(OH)(H){1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6,6]C[5,6]O[6,6]C[5])(C[6]C[6]HO)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6]C[6]2O)	108.7820	0.000	1	108.7820	0.000	1	109.0162	1.265	4	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(OH)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(H)2{1|Si<4>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2O)	107.5800	0.000	1	107.5800	0.000	1	109.0162	1.265	4	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,4|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2O)	110.2270	0.000	1	110.2270	0.000	1	109.0162	1.265	4	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2O)	109.4760	0.000	1	109.4760	0.000	1	109.0162	1.265	4	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]FH)2(OH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(F)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]FH)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(F)(H){1|C<4>,1|F<1>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	106.8769	0.596	8	106.8769	0.355	8	106.8596	0.341	15	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]FH)2(OH)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(F)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]FH)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(F)(H){1|F<1>,1|H<1>,2|C<4>}	H(C[6]C[6]2O)	106.8399	0.618	7	106.8399	0.381	7	106.8596	0.341	15	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HH)(OSi)(H)	C[6](C[5,6]C[3,5,6]N[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HH)(OSi)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[3,5,6]N[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|S<4>,2|H<1>,3|C<4>}	H(C[6]C[6]2O)	109.5650	0.000	1	109.5650	0.000	1	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[6]2O)	108.5920	0.058	2	108.5920	0.003	2	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.0910	0.000	1	108.7380	0.837	2	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.3850	0.000	1	108.7380	0.837	2	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[6]2O)	107.5930	0.000	1	107.5930	0.000	1	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	107.9590	0.000	1	108.6730	0.231	4	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.9110	0.085	3	108.6730	0.231	4	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<3>,2|O<2>,3|C<4>}	H(C[6]C[6]2O)	106.8090	0.000	1	106.8090	0.000	1	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(OH)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(OH)(H){1|C<3>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HO)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.1995	0.296	2	108.0162	1.164	6	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(OH)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(OH)(H){2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HO)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2O)	107.4245	0.715	4	108.0162	1.164	6	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<3>,5|C<4>}	H(C[6]C[6]2O)	107.4075	0.050	2	107.4075	0.003	2	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.4840	0.000	1	109.0940	0.744	2	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.7040	0.000	1	109.0940	0.744	2	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(OSi)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(OSi)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2O)	108.5195	0.631	2	108.5195	0.399	2	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]ClC)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]ClC)(OH)(H){2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(H)2{1|Cl<1>,1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2O)	107.8610	0.000	1	107.8610	0.000	1	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2O)	111.6240	0.153	2	111.6240	0.023	2	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.9260	0.000	1	108.9260	0.000	1	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2O)	110.5820	3.046	2	110.5820	9.279	2	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.3735	0.015	2	108.5782	0.305	4	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.7830	0.864	2	108.5782	0.305	4	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.0760	0.387	4	108.1550	0.143	5	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2O)	108.4710	0.000	1	108.1550	0.143	5	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2O)	109.3450	0.240	2	109.3450	0.058	2	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2O)	106.0820	0.710	2	106.0820	0.504	2	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.0410	0.000	1	108.5677	0.238	3	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|H<1>,1|N<4>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.0050	0.000	1	108.5677	0.238	3	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|H<1>,1|N<4>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2O)	108.6570	0.000	1	108.5677	0.238	3	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OS)(H)	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OS)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2O)	109.9320	0.000	2	109.9320	0.000	2	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OSi)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OSi)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.5170	0.000	1	109.5170	0.000	1	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2O)	110.0950	0.000	1	110.0950	0.000	1	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2O)	108.5005	1.497	2	108.5005	2.241	2	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	H(C[6]C[6]2O)	109.1870	0.000	1	108.7320	0.414	2	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.2770	0.000	1	108.7320	0.414	2	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2O)	107.4310	0.000	1	107.4310	0.000	1	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.6670	0.000	1	108.6670	0.000	1	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	H(C[6]C[6]2O)	108.9350	0.335	2	108.8292	0.098	5	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2O)	108.9025	0.346	2	108.8292	0.098	5	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]2O)	108.4710	0.000	1	108.8292	0.098	5	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HO)(H)2{1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2O)	107.4340	0.000	1	107.4340	0.000	1	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	110.1710	0.000	1	110.1710	0.000	1	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]CH)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2O)	107.8670	0.000	1	107.8670	0.000	1	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(OC)(H)	C[6](C[5,6]C[3,5]N[5,6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)2(OC)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[5,6]C[3,5]N[5,6]H)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2O)	108.1418	0.063	6	108.1418	0.004	6	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)2(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2O)	109.2160	0.000	1	109.2160	0.000	1	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)2(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2O)	109.2400	0.000	1	109.2400	0.000	1	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(OC)(H)	C[6](C[5,6]N[5,5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)2(OC)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,5,6]C[5]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.6868	1.428	24	108.6868	2.040	24	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(OC)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)2(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.4190	0.000	1	109.2788	7.257	8	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(OC)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)2(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.2587	2.909	7	109.2788	7.257	8	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)2(OH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2O)	107.4785	1.310	2	107.4785	1.717	2	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(OS)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)2(OS)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.0700	0.000	1	109.1495	0.017	8	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(OS)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)2(OS)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.0560	0.000	1	109.1495	0.017	8	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(OS)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)2(OS)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.1917	0.120	3	109.1495	0.017	8	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(OS)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)2(OS)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2O)	109.1650	0.186	3	109.1495	0.017	8	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.3030	0.000	1	109.3030	0.000	1	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	107.5077	1.099	3	107.5077	1.207	3	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6]2O)	107.9820	0.000	1	107.9820	0.000	1	108.6605	1.753	118	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)(I)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)(I){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.6730	0.000	1	109.7310	0.007	2	109.3616	0.153	5	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)(I)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(OH)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)(I){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.7890	0.000	1	109.7310	0.007	2	109.3616	0.153	5	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[5,6]HI)(C[6]C[5,6]HO)(OH)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(H)(I)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HI)(C[6]C[5,6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(H)(I){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	109.1153	0.274	3	109.1153	0.075	3	109.3616	0.153	5	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(Br)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(Br)(H){4|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.8770	0.000	1	108.8770	0.000	1	108.8770	0.000	1	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(Cl)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(Cl)(H){4|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.6990	0.224	3	109.6990	0.050	3	109.7325	0.038	4	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(Cl)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(Cl)(H){4|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.8330	0.000	1	109.8330	0.000	1	109.7325	0.038	4	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]HO)(F)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]HO)(F)2{1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.3980	0.000	1	108.9740	0.360	2	108.7368	0.700	10	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]HO)(F)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]HO)(F)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.5500	0.000	1	108.9740	0.360	2	108.7368	0.700	10	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(F)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(F)2{1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.5677	1.000	6	108.5677	1.001	6	108.7368	0.700	10	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]O[6,6]C[6]N)(C[6]C[6]HO)(F)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6,6]O[6,6]C[6]N)(C[6]C[6]HO)(F)2{2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.5080	0.000	1	109.5080	0.000	1	108.7368	0.700	10	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(F)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(F)2{1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.5060	0.000	1	108.5060	0.000	1	108.7368	0.700	10	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[6]2O)	109.4170	0.000	1	109.4170	0.000	1	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4]C[6]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[4]C[6]C)(C[6]C[6,6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HO)(H)2{1|C<3>,7|C<4>}	H(C[6]C[6]2O)	108.0590	0.000	1	108.0590	0.000	1	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6,6]N[6,6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]N[6,6]H)(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2O)	107.5850	0.000	1	107.5850	0.000	1	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6]2O)	108.0420	0.000	1	108.0420	0.000	1	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(OS)(H)	C[6](C[6,6]N[5,6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(OS)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[5,6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.6500	0.000	1	109.6500	0.000	1	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6,6]C[4x6]C)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(OH)(H){1|C<3>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[4x6]C)(C[6]C[6]HO)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2O)	109.2170	0.366	2	109.2170	0.134	2	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(OH)(H){2|C<3>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2O)	107.4243	0.726	4	107.4243	0.528	4	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)(H)2{2|O<2>,4|C<4>}	H(C[6]C[6]2O)	107.9800	0.000	1	107.9800	0.000	1	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HH)(OSi)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HH)(OSi)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	H(C[6]C[6]2O)	109.8770	0.000	1	109.8770	0.000	1	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(H)2{2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.0175	0.530	4	109.0175	0.281	4	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]2C)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]2C)(OH)(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6]2O)	108.2800	0.000	1	108.2800	0.000	1	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OC)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2O)	109.0090	0.000	1	109.0090	0.000	1	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2{3|C<3>,4|C<4>}	H(C[6]C[6]2O)	107.4665	1.466	2	107.4665	2.149	2	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6]2O)	106.5160	0.000	1	106.5160	0.000	1	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OC)(H)	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OC)(H){5|C<4>}	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6]2O)	109.7660	0.000	1	109.7660	0.000	1	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OC)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2O)	110.6540	0.000	1	110.6540	0.000	1	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2O)	107.5750	0.000	1	107.5750	0.000	1	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2O)	107.3650	0.110	2	107.3650	0.012	2	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(OH)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,6|C<4>}	H(C[6]C[6]2O)	108.1160	0.669	5	108.1160	0.447	5	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(OC)(H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HO)(H)2{1|Cl<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.1610	0.000	1	109.1610	0.000	1	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.7330	0.000	1	110.3780	1.101	3	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2O)	110.7005	1.257	2	110.3780	1.101	3	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6]HO)(H)2{1|Cl<1>,3|H<1>,4|C<4>}	H(C[6]C[6]2O)	109.8440	0.000	1	109.6887	0.039	3	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2O)	109.6110	0.202	2	109.6887	0.039	3	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.6610	0.000	1	109.4951	0.420	64	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|N<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2O)	109.6515	0.523	2	109.4951	0.420	64	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2O)	109.4500	0.000	1	109.4951	0.420	64	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.8850	1.681	2	109.4951	0.420	64	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.0460	0.000	1	109.4951	0.420	64	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.6019	0.418	7	109.4951	0.420	64	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|N<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2O)	108.7490	0.000	1	109.4951	0.420	64	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2O)	109.7000	1.342	2	109.4951	0.420	64	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6]2O)	109.9040	0.000	1	109.4951	0.420	64	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.4824	0.638	46	109.4951	0.420	64	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2O)	109.8930	0.000	1	109.8930	0.000	1	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.6630	0.000	1	109.5269	0.079	12	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|N<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2O)	109.2790	0.000	1	109.5269	0.079	12	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|Cl<1>,3|H<1>,4|C<4>}	H(C[6]C[6]2O)	109.5717	0.217	3	109.5269	0.079	12	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|N<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2O)	109.8660	0.000	1	109.5269	0.079	12	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2O)	109.5610	0.363	4	109.5269	0.079	12	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.2780	0.235	2	109.5269	0.079	12	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2O)	109.9070	0.000	1	109.4923	0.129	3	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.2850	0.000	2	109.4923	0.129	3	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC[6])(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC[6])(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.4045	0.224	6	109.4045	0.050	6	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	107.8020	0.000	1	107.8020	0.000	1	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2O)	107.9575	0.016	2	107.9575	0.000	2	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2O)	109.2040	0.000	1	109.2990	0.018	2	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.3940	0.000	1	109.2990	0.018	2	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2O)	109.3710	0.000	1	108.9159	0.927	147	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.2030	0.000	1	108.9159	0.927	147	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.7320	0.363	3	108.9159	0.927	147	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2O)	108.5310	0.083	2	108.9159	0.927	147	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2O)	108.6845	0.369	4	108.9159	0.927	147	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2O)	109.0760	0.000	1	108.9159	0.927	147	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.9259	0.999	135	108.9159	0.927	147	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2O)	107.4090	0.000	1	108.7288	1.595	10	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.0220	0.000	1	108.7288	1.595	10	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.5840	0.000	1	108.7288	1.595	10	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2O)	108.4800	0.059	2	108.7288	1.595	10	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.0626	1.719	5	108.7288	1.595	10	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6]2O)	107.6650	0.000	1	107.6650	0.000	1	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2O)	107.8830	0.000	1	107.8830	0.000	1	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.0815	0.110	2	109.0380	0.007	4	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.9590	0.000	1	109.0380	0.007	4	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2O)	109.0300	0.000	1	109.0380	0.007	4	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OS)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OS)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2O)	109.6110	0.000	1	109.6110	0.000	1	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.0795	0.053	4	109.0795	0.003	4	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OSi)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2O)	108.0840	0.000	2	108.0840	0.000	2	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.6148	0.422	4	108.6148	0.178	4	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]2O)	109.2430	0.000	1	109.8447	0.286	3	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2O)	110.1455	0.172	2	109.8447	0.286	3	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6]2O)	110.4987	0.426	12	110.4987	0.181	12	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	115.1150	0.000	1	109.1893	26.354	3	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2O)	106.2265	0.192	2	109.1893	26.354	3	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.9440	0.000	1	109.2516	0.604	9	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.2900	0.822	8	109.2516	0.604	9	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.2610	0.000	1	109.2610	0.000	1	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC[6a])(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC[6a])(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2O)	110.2440	0.000	1	110.2440	0.000	1	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]2O)	109.0010	1.266	2	109.0010	1.602	2	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]C[5,6]O[6]2)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[5,6]O[6]2)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2O)	107.4730	0.000	1	107.4730	0.000	1	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.0570	0.438	2	109.0409	1.183	16	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2O)	108.4000	0.000	1	109.0409	1.183	16	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	107.7470	0.035	2	109.0409	1.183	16	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.0038	0.663	5	109.0409	1.183	16	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2O)	109.9380	1.026	6	109.0409	1.183	16	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.6855	0.002	2	109.6855	0.000	2	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2O)	109.2980	0.059	2	109.1873	0.039	3	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2O)	108.9660	0.000	1	109.1873	0.039	3	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2O)	109.3395	0.180	2	108.6189	0.516	10	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.4387	0.688	8	108.6189	0.516	10	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2O)	109.7440	0.000	1	109.7440	0.000	1	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(ON[5])(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(ON[5])(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2O)	107.7070	0.000	1	107.7070	0.000	1	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OS)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OS)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2O)	109.6290	0.000	1	109.6290	0.000	1	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.0210	0.000	1	109.0210	0.000	1	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(OC)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(OC)(H){1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]2O)	109.0420	0.064	2	109.0420	0.004	2	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(OC)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2O)	107.9740	0.000	1	107.9740	0.000	1	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H){1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<2>,2|O<2>,3|H<1>}	H(C[6]C[6]2O)	110.2540	0.000	1	110.2540	0.000	1	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.7750	0.000	1	109.7750	0.000	1	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2O)	109.2740	0.000	1	109.2795	0.000	2	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2O)	109.2850	0.000	1	109.2795	0.000	2	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]O[6]C)(C[6]C[6,6]HH)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2{1|O<2>,5|C<4>}	H(C[6]C[6]2O)	108.4335	0.108	2	108.4335	0.012	2	109.0743	1.040	380	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HN)(C[6]C[6]BrH)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(Br)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3,6]HN)(C[6]C[6]BrH)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(Br)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	107.7215	1.018	2	107.7215	1.035	2	108.4466	2.409	15	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(Br)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(Br)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	110.0540	0.000	1	110.0540	0.000	1	108.4466	2.409	15	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OC[5])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(Br)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OC[5])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(Br)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.7355	0.206	2	109.7355	0.042	2	108.4466	2.409	15	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(Br)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(Br)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2O)	109.6208	0.847	4	109.6208	0.717	4	108.4466	2.409	15	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(Br)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(Br)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	107.3237	0.151	3	107.3237	0.023	3	108.4466	2.409	15	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HO)2(Br)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]BrH)(C[6]C[6]HN)(OH)(H){1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HO)2(Br)(H){1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]2O)	105.2740	0.000	1	105.9545	0.926	2	108.4466	2.409	15	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HO)2(Br)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]BrH)(C[6]C[6]HN)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(Br)(H){1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]2O)	106.6350	0.000	1	105.9545	0.926	2	108.4466	2.409	15	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Br)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]BrH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Br)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.3680	0.000	1	109.3680	0.000	1	108.4466	2.409	15	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]ClH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(Cl)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]ClH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.1420	0.000	1	109.1420	0.000	1	108.5904	2.547	24	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Cl)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Cl)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.2760	0.000	1	109.2760	0.000	1	108.5904	2.547	24	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(OC)(H)	C[6](C[6]C[6,6a]ClH)(C[6]C[6]HO)(Cl)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(OC)(H){1|Cl<1>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]ClH)(C[6]C[6]HO)(Cl)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2O)	108.2210	0.000	1	108.2210	0.000	1	108.5904	2.547	24	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(Cl)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(Cl)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	102.0940	0.000	1	102.0940	0.000	1	108.5904	2.547	24	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(Cl)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(Cl)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2O)	108.9490	0.000	1	109.0933	0.017	3	108.5904	2.547	24	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(Cl)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(Cl)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.1655	0.060	2	109.0933	0.017	3	108.5904	2.547	24	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]SeH)(C[6]C[6]HO)(Cl)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H){1|Se<2>,1|C<4>,3|H<1>}	C[6](C[6]C[6]SeH)(C[6]C[6]HO)(Cl)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.0340	0.000	1	108.0340	0.000	1	108.5904	2.547	24	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(Cl)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H){1|Cl<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(Cl)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.3110	0.000	1	110.3110	0.000	1	108.5904	2.547	24	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Cl)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Cl)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.7863	0.690	3	109.7863	0.477	3	108.5904	2.547	24	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(Cl)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(Cl)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.3243	0.765	8	108.3243	0.585	8	108.5904	2.547	24	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Cl)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Cl)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.8607	0.632	3	108.8607	0.399	3	108.5904	2.547	24	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(Cl)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)2(Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.2760	0.000	1	109.2760	0.000	1	108.5904	2.547	24	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[3,6]CO)(C[6]C[6]FF)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2	H(C[6]C[6]2O)	C[6](C[6]C[3,6]CO)(C[6]C[6]FF)(OH)(H){1|H<1>,4|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	107.7300	0.000	1	107.7300	0.000	1	108.7519	2.035	18	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]FF)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]FF)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	107.2323	0.531	3	107.2323	0.281	3	108.7519	2.035	18	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2	H(C[6]C[6]2O)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H){1|H<1>,4|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.5030	0.000	1	108.9220	0.351	2	108.7519	2.035	18	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2	H(C[6]C[6]2O)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.3410	0.000	1	108.9220	0.351	2	108.7519	2.035	18	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(F)2	H(C[6]C[6]2O)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(F)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	106.2195	0.269	2	106.2195	0.073	2	108.7519	2.035	18	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(F)2	H(C[6]C[6]2O)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(F)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	110.0260	0.000	1	110.0260	0.000	1	108.7519	2.035	18	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(F)2	H(C[6]C[6]2O)	C[6](C[6]C[6]FF)(C[6]O[6]CH)(OC)(H){1|C<4>,2|F<1>}	C[6](C[6]C[6]FF)(C[6]C[6]HO)(F)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.1640	0.000	1	109.1640	0.000	1	108.7519	2.035	18	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(F)2	H(C[6]C[6]2O)	C[6](C[6]C[6]FF)(C[6]O[6]CH)(OH)(H){1|C<4>,2|F<1>}	C[6](C[6]C[6]FF)(C[6]C[6]HO)(F)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.8410	0.000	1	109.8410	0.000	1	108.7519	2.035	18	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(F)2	H(C[6]C[6]2O)	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OC)(H){1|C<4>,2|F<1>}	C[6](C[6]C[6]FF)(C[6]C[6]HO)(F)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	110.0800	0.035	2	110.0800	0.001	2	108.7519	2.035	18	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(F)2	H(C[6]C[6]2O)	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OH)(H){1|C<4>,2|F<1>}	C[6](C[6]C[6]FF)(C[6]C[6]HO)(F)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.7268	0.610	5	109.7268	0.372	5	108.7519	2.035	18	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]FH)(OH)(H)	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HO)(F)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]FH)(OH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HO)(F)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2O)	109.3110	0.000	1	109.3110	0.000	1	109.2285	1.274	41	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.0725	1.505	2	108.0725	2.266	2	109.2285	1.274	41	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(F)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(F)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	107.5065	0.036	2	107.5065	0.001	2	109.2285	1.274	41	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	106.5240	0.000	1	106.5240	0.000	1	109.2285	1.274	41	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(F)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OS)(H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(F)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2O)	110.5110	0.000	1	110.5110	0.000	1	109.2285	1.274	41	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	108.2886	0.672	9	108.2886	0.451	9	109.2285	1.274	41	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(F)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(F)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.1835	0.518	2	109.1835	0.269	2	109.2285	1.274	41	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(F)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(F)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.2960	0.000	1	109.2960	0.000	1	109.2285	1.274	41	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(F)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(F)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.4393	0.246	4	109.4393	0.060	4	109.2285	1.274	41	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)(C[6]N[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	109.4965	0.008	2	109.4965	0.000	2	109.2285	1.274	41	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(F)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(F)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.3320	0.000	1	109.3320	0.000	1	109.2285	1.274	41	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)(C[6]O[6]HO)(OH)(H){1|C<4>,1|F<1>,1|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.6800	0.000	1	109.6800	0.000	1	109.2285	1.274	41	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(F)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(F)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.6580	0.000	1	109.6580	0.000	1	109.2285	1.274	41	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)2(OH)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)2(OH)(H){1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.9704	0.465	8	110.0002	0.172	10	109.2285	1.274	41	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)2(OH)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)2(OH)(H){1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H){1|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]2O)	110.1195	0.032	2	110.0002	0.172	10	109.2285	1.274	41	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)2(OS)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)2(OS)(H){1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H){1|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]2O)	111.4240	0.028	2	111.4240	0.001	2	109.2285	1.274	41	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(OS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(OS)(H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.3340	0.000	1	110.3340	0.000	1	109.2285	1.274	41	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[5x3,5x5,21x6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]B[5x3,5x5,21x6]HH)(C[6]C[6]HH)(OC)(H){1|C<6>,2|H<1>,4|B<6>}	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HO)(H)2{2|H<1>,5|B<6>}	H(C[6]C[6]2O)	108.5200	0.000	1	108.5200	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,5,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[3,5,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2O)	109.7500	0.000	1	109.7500	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2O)	109.3800	0.000	1	109.3800	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.0465	0.114	2	109.7666	0.113	5	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2O)	109.5800	0.297	3	109.7666	0.113	5	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	107.5330	0.000	1	107.5330	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(OH)(H){2|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	107.5390	0.000	1	107.5390	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.5870	0.000	1	109.5870	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)2(H)2	H(C[6]C[6]2O)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HO)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.0660	0.396	2	109.0660	0.157	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[3,6]CC)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OSi)(H){1|O<2>,4|C<4>}	C[6](C[6]C[3,6]CC)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.7170	0.000	1	109.7170	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.4777	1.187	3	109.4777	1.410	3	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(OSi)(H){1|C<3>,2|C<4>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.4650	0.000	1	109.4650	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[3]C[6]H)(C[6]C[6]HH)(OH)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.7550	0.000	1	108.7550	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.4487	1.011	3	108.4285	0.683	4	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2O)	108.3680	0.000	1	108.4285	0.683	4	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.1370	0.000	1	109.1370	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[3x6]CC)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,4|C<4>}	C[6](C[6]C[3x6]CC)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.6850	0.000	1	109.6850	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2O)	109.7070	0.000	1	109.7070	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.9210	0.000	1	110.8515	7.454	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2O)	112.7820	0.000	1	110.8515	7.454	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(H)2{2|C<3>,3|C<4>}	H(C[6]C[6]2O)	109.3710	0.000	1	109.3710	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(OSi)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.4620	0.000	1	108.4620	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6,6]CO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2O)	107.4083	0.673	3	107.4083	0.453	3	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	110.2400	0.000	1	110.2400	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2O)	108.4280	0.000	1	108.4280	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2O)	107.1390	0.000	1	107.1390	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	H(C[6]C[6]2O)	107.2290	1.394	2	107.2290	1.944	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	H(C[6]C[6]2O)	108.0790	0.000	1	108.0790	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OSi)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2O)	108.0350	0.000	1	108.0350	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	110.4190	0.000	1	110.4190	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2O)	107.8520	0.745	2	107.8520	0.555	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.7290	0.116	2	108.7290	0.013	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	107.9260	0.000	1	107.9260	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2O)	108.3140	0.581	2	108.3140	0.338	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.9590	0.000	1	110.1533	1.076	3	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	110.7505	0.112	2	110.1533	1.076	3	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.8920	0.000	1	109.1320	0.748	3	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.7520	0.793	2	109.1320	0.748	3	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.0540	0.417	4	108.4464	0.403	8	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.3430	0.218	2	108.4464	0.403	8	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2O)	108.3345	0.009	2	108.4464	0.403	8	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2O)	109.9050	2.861	2	109.9050	8.185	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]N[5,6]CC)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|H<1>,1|N<4>,3|C<4>}	C[6](C[6]N[5,6]CC)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.3845	1.012	2	109.3845	1.024	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2O)	107.3740	0.000	1	107.3740	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OS)(H)	C[6](C[6]N[5,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OS)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[5,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.8840	0.000	2	109.8840	0.000	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OSi)(H){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.4740	0.000	1	109.4740	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.8950	0.000	1	108.8950	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2O)	106.4770	0.000	1	106.4770	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H){1|O<2>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.5350	0.000	1	108.5350	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.3200	0.000	1	108.3200	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OS)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.8840	0.000	1	109.8840	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(OH)(H){1|N<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	108.2750	0.000	1	108.2750	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	110.2535	0.902	2	109.8316	0.403	10	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.7261	0.582	8	109.8316	0.403	10	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.3670	0.000	1	108.3670	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2O)	108.5190	0.000	1	108.5190	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HO)2(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6]HO)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.4250	0.000	1	110.4250	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2O)	109.3720	0.000	1	109.3720	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,1|S<2>}	H(C[6]C[6]2O)	108.8310	0.000	1	108.8310	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2O)	107.7720	0.000	1	107.7720	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,1|N<4>,4|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.2060	0.000	1	110.2060	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.0520	0.000	1	109.0520	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.6800	0.092	2	108.6800	0.008	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	109.9650	0.000	1	109.9650	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|Br<1>,1|H<1>,3|C<4>}	H(C[6]C[6]2O)	108.8700	0.000	1	108.8700	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	H(C[6]C[6]2O)	108.3480	0.365	4	108.3480	0.133	4	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2O)	108.8765	0.183	2	108.8765	0.034	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2O)	104.1470	0.000	1	108.5489	0.571	72	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	H(C[6]C[6]2O)	109.7100	0.000	1	108.5489	0.571	72	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2O)	109.7020	0.000	1	108.5489	0.571	72	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2O)	108.8630	0.000	1	108.5489	0.571	72	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2O)	108.6114	0.416	13	108.5489	0.571	72	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	H(C[6]C[6]2O)	108.5664	0.548	55	108.5489	0.571	72	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[5])(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2O)	109.1240	0.000	1	109.1240	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[6])(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[6])(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2O)	109.3680	0.000	1	108.4430	0.310	8	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[6])(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[6])(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	H(C[6]C[6]2O)	108.3109	0.446	7	108.4430	0.310	8	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	H(C[6]C[6]2O)	107.5124	0.734	5	107.5124	0.539	5	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2O)	108.1700	0.000	1	108.1700	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2O)	107.9880	0.000	1	107.7455	0.635	127	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2O)	109.3630	0.000	1	107.7455	0.635	127	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2O)	107.6880	0.000	1	107.7455	0.635	127	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	H(C[6]C[6]2O)	108.0980	0.000	1	107.7455	0.635	127	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2O)	106.9475	1.346	2	107.7455	0.635	127	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2O)	107.8114	0.637	29	107.7455	0.635	127	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2O)	108.2020	0.000	1	107.7455	0.635	127	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|C<3>,3|C<4>}	H(C[6]C[6]2O)	107.1280	0.000	1	107.7455	0.635	127	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	H(C[6]C[6]2O)	107.7199	0.834	90	107.7455	0.635	127	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{5|C<4>}	H(C[6]C[6]2O)	106.9780	0.000	1	106.9780	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(ON)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(ON)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	H(C[6]C[6]2O)	109.3740	0.000	1	109.3740	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	H(C[6]C[6]2O)	108.0646	0.087	5	108.0646	0.008	5	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2O)	108.7620	0.000	2	108.6569	0.071	7	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2O)	108.7447	0.136	4	108.6569	0.071	7	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2O)	108.0950	0.000	1	108.6569	0.071	7	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2O)	110.1910	0.000	1	109.5110	0.925	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2O)	108.8310	0.000	1	109.5110	0.925	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	107.3800	0.000	1	107.3800	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2O)	108.3530	0.000	1	108.2497	0.135	11	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2O)	108.7410	0.000	1	108.2497	0.135	11	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2O)	108.1950	0.000	1	108.2497	0.135	11	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.1870	0.102	3	108.2497	0.135	11	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2O)	108.3883	0.590	3	108.2497	0.135	11	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2O)	107.8660	0.136	2	108.2497	0.135	11	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	107.7530	0.000	1	107.7530	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OSi)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2O)	108.2640	0.000	1	108.2640	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2O)	112.9680	0.000	1	110.5018	4.548	5	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2O)	109.8852	1.879	4	110.5018	4.548	5	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2O)	107.9310	0.000	1	107.9310	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2O)	113.8130	4.608	2	110.1174	16.698	5	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2O)	107.6537	0.137	3	110.1174	16.698	5	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2O)	107.3000	0.000	1	107.3000	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|Cl<1>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]2O)	108.2555	0.535	2	108.2555	0.287	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|Cl<1>,1|H<1>,3|C<4>}	H(C[6]C[6]2O)	109.7073	0.236	3	109.7073	0.056	3	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|Cl<1>,1|H<1>,3|C<4>}	H(C[6]C[6]2O)	109.8520	0.000	1	109.8520	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	110.7985	3.350	2	110.7985	11.220	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2O)	109.4840	0.252	2	109.5497	0.277	134	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.6362	0.533	55	109.5497	0.277	134	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2O)	109.5460	0.000	1	109.5497	0.277	134	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2O)	109.3040	0.549	4	109.5497	0.277	134	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.7860	0.000	1	109.5497	0.277	134	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2O)	109.6860	0.176	3	109.5497	0.277	134	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2O)	109.7900	0.000	1	109.5497	0.277	134	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2O)	109.5351	0.281	10	109.5497	0.277	134	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.3077	0.466	4	109.5497	0.277	134	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.3660	0.560	3	109.5497	0.277	134	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2O)	109.4926	0.592	50	109.5497	0.277	134	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.1790	0.000	2	109.1790	0.000	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2O)	110.6190	0.000	1	110.6190	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC[5])(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC[5])(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.4820	0.116	2	109.4820	0.013	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC[6])(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC[6])(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2O)	109.4218	0.220	6	109.4218	0.048	6	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	107.7990	0.000	1	108.2583	0.550	4	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.4113	0.827	3	108.2583	0.550	4	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2O)	108.1795	1.145	2	108.8238	0.784	216	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.7021	0.801	59	108.8238	0.784	216	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2O)	109.4050	0.000	1	108.8238	0.784	216	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2O)	107.6650	0.000	1	108.8238	0.784	216	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2O)	108.0384	1.350	7	108.8238	0.784	216	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.4880	0.034	2	108.8238	0.784	216	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.9570	0.000	1	108.8238	0.784	216	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.0270	0.000	1	108.8238	0.784	216	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2O)	108.9286	0.881	142	108.8238	0.784	216	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.6020	0.000	1	108.9175	0.199	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2O)	109.2330	0.000	1	108.9175	0.199	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	107.9060	0.000	1	107.9060	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.0985	0.185	2	109.0012	0.025	4	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.8740	0.000	1	109.0012	0.025	4	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.9340	0.000	1	109.0012	0.025	4	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OP)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OP)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.2060	0.000	1	109.2060	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OS)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.7398	0.109	4	109.7064	0.014	5	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OS)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2O)	109.5730	0.000	1	109.7064	0.014	5	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2O)	109.1030	0.098	4	109.1030	0.010	4	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OSi)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.0650	0.000	2	108.0650	0.000	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2O)	108.6215	0.382	4	108.6215	0.146	4	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2O)	108.9655	0.165	2	108.9655	0.027	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2O)	109.6750	0.000	1	109.6750	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){1|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2O)	109.3672	0.819	5	109.3672	0.671	5	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6,6]CO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){1|O<2>,4|C<4>}	C[6](C[6]C[5,6,6]CO)(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2O)	108.8437	0.274	3	108.8437	0.075	3	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	109.0440	0.000	1	109.5003	0.163	3	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2O)	109.7285	0.115	2	109.5003	0.163	3	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2O)	107.4400	0.000	1	107.4400	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.4840	0.000	1	109.0115	0.374	6	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2O)	109.8560	0.000	1	109.0115	0.374	6	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2O)	108.6822	0.408	4	109.0115	0.374	6	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.0320	0.000	1	109.0320	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|O<2>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.2730	0.119	2	109.2730	0.014	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.2690	0.000	1	107.9845	0.162	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	107.7000	0.000	1	107.9845	0.162	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	107.9030	0.000	1	107.9030	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HS)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HS)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.7380	0.000	1	109.7380	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]N[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]N[6]H)(C[6]C[6]HH)(OH)(H){3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2O)	109.2380	0.000	1	109.2380	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2O)	107.6550	0.000	1	107.6550	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2O)	108.7760	0.000	1	108.7760	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OC)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HO)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2O)	109.4710	0.000	1	109.4710	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2O)	107.7110	0.000	1	107.7110	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6]2O)	109.2940	0.000	1	109.2940	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2O)	110.0130	0.000	1	110.0130	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.8043	0.373	3	108.8043	0.139	3	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Br<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	110.0600	0.000	1	110.0600	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OC[5])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OC[5])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Br<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.6995	0.173	2	109.6995	0.030	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Br<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	107.2847	0.108	3	107.2847	0.012	3	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2O)	109.0610	0.000	1	108.9126	0.166	12	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2O)	109.1290	0.000	1	108.9126	0.166	12	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2O)	109.4720	0.000	1	108.9126	0.166	12	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2O)	108.7735	0.423	8	108.9126	0.166	12	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2O)	109.1010	0.000	1	108.9126	0.166	12	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HO)2(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2O)	109.3570	0.000	1	109.3570	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H){1|B<3>,1|C<4>,3|H<1>}	C[6](C[6]B[5]C[6]H)(C[6]C[6]HO)(H)2{1|B<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2O)	109.0040	0.000	1	109.0040	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2O)	108.1935	0.504	2	108.1935	0.254	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2O)	108.0058	0.107	4	108.1534	0.118	5	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2O)	108.7440	0.000	1	108.1534	0.118	5	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OSi)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2O)	108.4440	0.000	1	108.4440	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2O)	108.0510	0.000	1	108.0510	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2O)	108.9450	0.552	2	108.9450	0.304	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2O)	109.1890	0.000	1	109.1890	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|Si<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	111.4510	0.000	1	109.5744	1.181	97	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.5643	1.077	95	109.5744	1.181	97	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.6640	0.000	1	109.5744	1.181	97	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2O)	109.4055	0.187	2	109.4055	0.035	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.7030	0.000	1	109.1172	0.373	13	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.1517	0.624	12	109.1172	0.373	13	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HO)2(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.5340	0.000	1	108.5340	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.0518	1.102	38	109.0518	1.214	38	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.0337	0.091	3	109.0337	0.008	3	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2O)	108.6190	0.270	2	108.6190	0.073	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.5358	0.358	4	109.5358	0.128	4	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.9500	0.424	4	109.9500	0.179	4	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2O)	109.1810	0.000	1	109.1810	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2O)	107.9105	0.250	6	107.9105	0.062	6	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2O)	109.7240	0.042	2	108.7864	0.535	7	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.0160	0.000	1	108.7864	0.535	7	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2O)	109.1430	0.000	1	108.7864	0.535	7	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.2993	0.097	3	108.7864	0.535	7	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.8683	0.051	4	108.4049	0.479	16	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2O)	108.8730	0.000	1	108.4049	0.479	16	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.6690	0.000	1	108.4049	0.479	16	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.7980	0.000	1	108.4049	0.479	16	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	107.5440	1.534	2	108.4049	0.479	16	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.3340	0.000	1	108.4049	0.479	16	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2O)	108.4920	0.000	1	108.4049	0.479	16	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.3070	0.000	1	108.4049	0.479	16	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.2840	0.809	3	108.4049	0.479	16	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	107.5920	0.000	1	108.4049	0.479	16	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]2O)	109.0378	0.232	5	109.0378	0.054	5	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]2O)	108.4770	0.831	3	108.5412	0.477	4	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]2O)	108.7340	0.000	1	108.5412	0.477	4	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CO)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2O)	109.3210	0.000	1	109.3210	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]S[6]HH)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|S<2>,4|H<1>}	C[6](C[6]C[6]HO)(C[6]S[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2O)	109.4470	0.000	1	109.4470	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6]2O)	109.6105	0.016	2	109.6105	0.000	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2O)	109.4580	0.000	1	109.4580	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(ON)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(ON)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.1755	0.110	2	109.1755	0.012	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.1828	0.496	39	109.1828	0.246	39	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP[5])(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP[5])(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.9050	0.000	1	108.9050	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.9835	0.230	2	109.9897	0.027	3	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	110.0020	0.000	1	109.9897	0.027	3	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.7610	0.000	1	109.7610	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	108.5580	0.000	1	108.6620	0.022	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2O)	108.7660	0.000	1	108.6620	0.022	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2O)	108.5485	2.812	4	108.5485	7.906	4	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OH)(H){1|H<1>,4|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2O)	108.8850	0.000	1	108.8850	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.9845	0.101	2	108.9845	0.010	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.9510	0.000	1	108.9510	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2{1|O<2>,2|C<4>}	H(C[6]C[6]2O)	110.3940	0.000	1	110.3940	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HO)2(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	108.9420	0.000	1	108.9420	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|O<2>}	H(C[6]C[6]2O)	107.0000	0.000	1	107.0000	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.6303	0.215	3	108.5354	0.041	5	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2O)	108.3930	0.075	2	108.5354	0.041	5	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<4>,1|O<2>}	H(C[6]C[6]2O)	108.5140	0.000	1	107.8247	0.252	4	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	107.5950	0.248	3	107.8247	0.252	4	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.4810	0.000	1	109.4650	0.001	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]2O)	109.4490	0.000	1	109.4650	0.001	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|S<3>,2|C<3>}	H(C[6]C[6]2O)	108.7950	0.000	1	108.7950	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|Cl<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.1150	0.000	1	109.1150	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|Cl<1>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2O)	108.9080	0.000	1	108.9080	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H){1|Se<2>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.0170	0.000	1	108.7927	0.452	3	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Cl<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.1805	0.042	2	108.7927	0.452	3	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OS)(H){1|C<3>,1|I<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Cl<1>,1|C<3>,2|H<1>}	H(C[6]C[6]2O)	111.0710	0.000	1	111.0710	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|F<1>,2|H<1>}	H(C[6]C[6]2O)	108.0515	1.469	2	108.0515	2.157	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|F<1>,1|H<1>}	H(C[6]C[6]2O)	107.5160	0.030	2	107.5160	0.001	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OS)(H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(H)2{1|C<4>,1|F<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.4960	0.000	1	110.4960	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6]2O)	111.7740	0.000	1	111.7740	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2O)	108.4900	0.511	2	108.4900	0.261	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HI)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(OC)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|I<1>}	H(C[6]C[6]2O)	109.1470	0.000	1	109.1470	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HI)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(OH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|H<1>,1|I<1>,2|C<4>}	H(C[6]C[6]2O)	110.6720	0.588	2	110.6720	0.346	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	109.4603	0.314	7	109.4465	0.086	8	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2O)	109.3500	0.000	1	109.4465	0.086	8	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H)	C[6](C[6]C[6]HO)2(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	109.2970	0.000	1	109.2970	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	109.4850	0.000	1	109.4850	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2O)	107.8453	1.421	3	109.2482	1.338	20	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	111.0135	0.333	2	109.2482	1.338	20	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.7687	0.889	6	109.2482	1.338	20	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	108.9566	0.684	7	109.2482	1.338	20	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2O)	109.0460	0.264	2	109.2482	1.338	20	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OB)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OB)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.0830	0.000	1	109.0830	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.1890	0.000	2	109.2970	0.035	3	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.5130	0.000	1	109.2970	0.035	3	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	110.5660	0.385	3	109.1859	1.608	92	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.1125	1.287	84	109.1859	1.608	92	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.2610	0.000	1	109.1859	1.608	92	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.0500	0.000	1	109.1859	1.608	92	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.9920	0.165	2	109.1859	1.608	92	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.6620	0.000	1	109.1859	1.608	92	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	110.2030	0.481	4	110.2030	0.231	4	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.7400	0.401	3	109.7400	0.161	3	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.5100	0.000	1	109.5285	0.295	4	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.7440	0.789	2	109.5285	0.295	4	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)2(H)2{1|C<3>,1|H<1>,1|I<1>,1|O<2>}	H(C[6]C[6]2O)	109.1160	0.000	1	109.5285	0.295	4	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2O)	109.6550	0.000	1	109.9870	0.220	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	110.3190	0.000	1	109.9870	0.220	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.0170	0.000	1	109.0170	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.5191	0.513	21	109.5191	0.263	21	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HO)(H)2{1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.5660	0.058	2	108.5660	0.003	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|H<1>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.4923	0.342	3	108.4793	0.078	4	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.4400	0.000	1	108.4793	0.078	4	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.1617	0.796	4	108.3846	0.724	5	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2O)	109.2760	0.000	1	108.3846	0.724	5	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.9225	0.910	2	108.9551	0.654	38	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.6044	1.303	5	108.9551	0.654	38	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.6720	0.000	1	108.9551	0.654	38	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.8030	0.650	22	108.9551	0.654	38	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.8790	0.000	1	108.9551	0.654	38	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.2990	0.000	1	108.9551	0.654	38	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.4848	0.751	6	108.9551	0.654	38	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.5850	0.000	1	108.5850	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	109.7670	0.000	1	109.8713	0.037	3	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.9235	0.241	2	109.8713	0.037	3	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.7450	0.000	1	108.7450	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CO)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.0800	0.000	1	108.0800	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.6190	0.000	1	108.6190	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.3590	0.000	1	109.7477	0.353	3	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.9420	0.693	2	109.7477	0.353	3	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.8760	0.000	1	108.7304	0.728	9	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.6288	0.889	6	108.7304	0.728	9	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.4625	0.590	2	108.7304	0.728	9	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[6]C[6]2O)	108.7130	0.000	1	108.7130	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[6]C[6]2O)	108.7757	0.246	3	108.7757	0.060	3	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	110.0148	0.867	4	110.0148	0.751	4	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OS)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	111.1840	0.000	1	110.8215	0.263	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OS)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	110.4590	0.000	1	110.8215	0.263	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(H)	C[6](C[6]C[6]HO)2(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.4235	0.407	2	109.4235	0.165	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(OP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(OP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2O)	109.6270	0.000	1	109.6270	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OC)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<1>,1|S<2>}	H(C[6]C[6]2O)	109.5540	0.000	1	109.2964	0.054	5	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2O)	109.2320	0.211	4	109.2964	0.054	5	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|S<3>,3|H<1>}	H(C[6]C[6]2O)	107.2840	0.000	1	108.1340	1.445	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[6]2O)	108.9840	0.000	1	108.1340	1.445	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]OO)(OH)(H)	C[6](C[6]C[6]HO)2(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(OH)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(H)2{1|C<4>,1|O<2>,2|O<1>}	H(C[6]C[6]2O)	110.5590	0.000	1	110.5590	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2O)	110.0350	0.000	1	109.8900	0.255	4	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.3940	0.000	1	109.8900	0.255	4	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.0655	0.661	2	109.8900	0.255	4	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2O)	109.5820	0.000	1	109.5820	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	108.5495	0.237	2	108.5495	0.056	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	108.2680	0.000	1	108.8162	0.137	4	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	108.9150	0.000	1	108.8162	0.137	4	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.0390	0.000	1	108.8162	0.137	4	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	109.0430	0.000	1	108.8162	0.137	4	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.4390	0.000	1	108.4533	0.784	3	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	107.5750	0.000	1	108.4533	0.784	3	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<2>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2O)	109.3460	0.000	1	108.4533	0.784	3	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|S<4>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	109.3845	0.183	2	109.7218	0.163	4	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|S<4>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2O)	110.0590	0.035	2	109.7218	0.163	4	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|O<2>,1|S<4>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2O)	108.5460	0.000	1	108.5460	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2O)	109.9895	0.127	2	109.9933	0.008	3	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	110.0010	0.000	1	109.9933	0.008	3	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2O)	111.6070	0.000	1	111.6070	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC[6a])(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2O)	108.8810	0.000	1	109.2480	0.269	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC[6a])(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2O)	109.6150	0.000	1	109.2480	0.269	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[3]C[6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H){1|O<2>,1|S<4>,2|C<4>}	C[6](C[6]C[3]C[6]O)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2O)	108.8850	0.000	1	108.8850	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	109.2710	0.000	1	109.1505	0.009	4	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H){1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2O)	109.1230	0.000	1	109.1505	0.009	4	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	109.1040	0.088	2	109.1505	0.009	4	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OSi)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2O)	108.9010	0.000	1	108.9010	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HN)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HN)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<1>,2|N<3>}	H(C[6]C[6]2O)	108.6705	0.241	2	108.6705	0.058	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HO)(OC)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.9470	0.000	1	108.9470	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2O)	109.3910	0.000	1	109.3910	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2O)	108.5160	0.000	1	109.8407	4.970	6	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2O)	113.1630	0.000	1	109.8407	4.970	6	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.5890	2.272	3	109.8407	4.970	6	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2O)	108.5980	0.000	1	109.8407	4.970	6	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	108.0360	0.000	1	108.0360	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2O)	107.2354	0.662	11	107.2354	0.438	11	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	108.1260	0.000	1	108.3095	0.067	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2O)	108.4930	0.000	1	108.3095	0.067	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.6530	0.390	3	109.6530	0.152	3	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.9896	0.335	10	109.8859	0.165	12	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.3675	0.394	2	109.8859	0.165	12	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.1990	0.000	1	109.1990	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC[6])(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.4240	0.000	1	109.4240	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)2(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.3290	0.000	1	110.3290	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H){1|H<1>,2|C<4>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.0695	0.062	2	109.0695	0.004	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.4933	0.237	3	109.1735	0.447	4	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.2140	0.000	1	109.1735	0.447	4	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.1580	0.710	2	109.0363	0.296	3	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.7930	0.000	1	109.0363	0.296	3	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OS)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.2825	0.194	2	109.2825	0.038	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	111.9290	1.790	2	111.9290	3.206	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.8555	0.127	2	109.8555	0.016	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]S[6]CH)(OH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]S[6]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HO)(H)2{1|H<1>,1|S<2>,5|C<3>}	H(C[6]C[6]2O)	108.3340	0.604	2	108.3340	0.365	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]S[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]S[6]CH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|S<2>,3|H<1>}	H(C[6]C[6]2O)	108.4090	0.000	1	108.4090	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.4400	0.000	1	109.4400	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.4030	0.000	1	109.2143	2.570	11	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2O)	109.3025	1.897	8	109.2143	2.570	11	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.7670	0.028	2	109.2143	2.570	11	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.7375	0.035	2	109.7375	0.001	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<2>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.1757	0.327	7	110.1757	0.107	7	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2O)	110.0220	0.000	1	110.0020	0.001	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.9820	0.000	1	110.0020	0.001	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|C<2>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.1833	0.289	7	110.1833	0.084	7	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2O)	110.4270	0.266	2	109.7158	0.325	58	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.8835	0.073	4	109.7158	0.325	58	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.5078	0.981	4	109.7158	0.325	58	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2O)	109.9295	0.223	4	109.7158	0.325	58	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.4777	0.487	24	109.7158	0.325	58	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.0914	0.722	8	109.7158	0.325	58	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.7106	0.485	10	109.7158	0.325	58	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2O)	110.0180	0.000	1	109.7158	0.325	58	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.0590	0.000	1	109.7158	0.325	58	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|N<3>,3|C<4>}	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2O)	110.0550	0.000	1	110.4091	0.490	46	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2O)	110.3887	0.744	37	110.4091	0.490	46	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.5475	0.512	8	110.4091	0.490	46	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.4646	0.698	5	110.0020	0.949	7	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|N<4>,4|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.8455	0.009	2	110.0020	0.949	7	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2O)	111.1955	3.944	2	111.1955	15.551	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]S[6]HH)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|S<2>,4|H<1>}	C[6](C[6]C[6]HO)(C[6]S[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.2750	0.018	2	109.2750	0.000	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HO)2(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.9193	0.083	4	108.5057	0.665	21	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HO)2(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.1731	0.462	17	108.5057	0.665	21	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OC[5])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC[5])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.8829	0.472	11	108.8829	0.223	11	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OC[6,6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC[6,6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.3755	0.037	2	108.3755	0.001	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OC[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.0460	0.536	5	109.0460	0.288	5	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC[6])(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2O)	110.5114	0.738	16	110.5114	0.544	16	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OC[6a])(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2O)	110.2740	1.493	2	110.2740	2.230	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.7496	0.075	5	109.6427	0.101	11	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.5537	0.421	6	109.6427	0.101	11	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OC[6a])(H)	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC[6a])(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2O)	110.5741	0.194	14	110.5741	0.038	14	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[3x6]N[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[3x6]N[6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.1030	0.000	1	109.1030	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.3657	0.083	6	109.2629	0.041	8	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2O)	108.9545	0.011	2	109.2629	0.041	8	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.3712	0.084	6	108.9264	0.683	8	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	107.5920	0.023	2	108.9264	0.683	8	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|H<1>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.4750	0.000	1	109.4410	0.002	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|H<1>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.4070	0.000	1	109.4410	0.002	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|H<1>,4|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	111.2840	0.000	1	109.1592	1.863	5	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|H<1>,4|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.4010	0.000	1	109.1592	1.863	5	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.3703	0.711	3	109.1592	1.863	5	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(H)2{1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6]2O)	108.6287	0.532	3	108.6287	0.283	3	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2O)	108.2458	0.696	4	108.8382	0.595	77	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.8880	0.122	4	108.8382	0.595	77	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2O)	109.2930	0.049	2	108.8382	0.595	77	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.8675	0.025	2	108.8382	0.595	77	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2O)	108.9176	1.175	8	108.8382	0.595	77	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	108.8823	0.233	7	108.8382	0.595	77	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2O)	109.8125	0.803	2	108.8382	0.595	77	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.6846	1.174	16	108.8382	0.595	77	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2O)	107.8725	0.023	2	108.8382	0.595	77	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.2000	0.020	2	108.8382	0.595	77	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.9470	0.409	9	108.8382	0.595	77	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2O)	109.1308	0.504	4	108.8382	0.595	77	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|N<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2O)	109.3425	0.021	2	108.8382	0.595	77	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2O)	109.6310	0.000	1	108.8382	0.595	77	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2O)	108.7819	0.268	9	108.8382	0.595	77	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.3493	0.747	3	108.8382	0.595	77	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.5400	0.000	1	109.3222	0.152	10	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.8060	0.010	2	109.3222	0.152	10	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,2|H<1>,2|N<4>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.2957	0.218	7	109.3222	0.152	10	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.9620	0.000	1	109.3061	0.391	8	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|N<4>,4|C<4>}	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.3553	0.658	7	109.3061	0.391	8	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.0905	0.033	2	109.3480	0.052	7	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.2565	0.016	2	109.3480	0.052	7	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2O)	109.6130	0.000	1	109.3480	0.052	7	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.5645	0.016	2	109.3480	0.052	7	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.8735	2.248	20	108.8539	2.552	41	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.6727	0.060	3	108.8539	2.552	41	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.6306	0.581	7	108.8539	2.552	41	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|N<4>,4|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.9751	0.637	9	108.8539	2.552	41	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|N<4>,4|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.1655	0.006	2	108.8539	2.552	41	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2O)	109.7950	0.000	2	108.8069	0.888	15	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2O)	109.5832	0.244	6	108.8069	0.888	15	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2O)	107.8593	0.214	7	108.8069	0.888	15	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2O)	107.2710	0.000	1	107.2710	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)2(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.8870	0.137	4	108.8870	0.019	4	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|F<1>,2|C<3>,3|H<1>}	H(C[6]C[6]2O)	108.6350	0.555	3	108.6183	0.207	4	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.5680	0.000	1	108.6183	0.207	4	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HO)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2O)	109.1090	0.512	4	109.1835	0.171	6	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|N<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HO)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2O)	109.3325	0.015	2	109.1835	0.171	6	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2O)	107.2370	0.000	1	107.2370	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OMo)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OMo)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.3795	0.049	2	108.3795	0.002	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(ON[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(ON[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.1280	0.006	2	109.1280	0.000	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OP)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.8328	0.464	4	109.4012	0.158	60	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.4418	0.364	56	109.4012	0.158	60	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OP)(H)	C[6](C[6]C[6]HO)2(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OP)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.8017	0.516	4	108.8017	0.266	4	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2O)	110.9625	4.080	6	110.5963	5.647	20	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	110.4394	1.328	14	110.5963	5.647	20	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OS)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OS)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2O)	110.6738	0.063	6	110.6738	0.004	6	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OS)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OS)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.9180	0.000	1	109.9180	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OS)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OS)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.9730	0.000	1	109.9730	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OS)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OS)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.3270	0.546	2	110.3270	0.298	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OS)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OS)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2O)	111.4750	2.217	2	111.4750	4.917	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OSi)(H)	C[6](C[6]C[5]O[6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OSi)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[5]O[6]O)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2O)	110.0290	0.000	2	110.0290	0.000	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OSi)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OSi)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2{1|Br<1>,1|C<3>,2|H<1>}	H(C[6]C[6]2O)	109.1935	0.450	2	109.1935	0.203	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OSi)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OSi)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2O)	109.8533	0.312	7	109.8533	0.098	7	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OSi)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OSi)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.9660	0.000	2	109.9660	0.000	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OSi)(H)	C[6](C[6]C[6]HO)2(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OSi)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(H)2{1|Br<1>,1|C<3>,2|H<1>}	H(C[6]C[6]2O)	109.7890	0.000	1	109.7890	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]IrH)(C[6]C[6]HH)(OP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]IrH)(C[6]C[6]HH)(OP)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Ir<5>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	107.2230	0.870	4	107.2230	0.756	4	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OB[5])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OB[5])(H){1|B<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	109.7560	0.097	4	109.7560	0.009	4	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	109.9975	0.301	2	109.9975	0.090	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	106.6728	3.038	4	106.6728	9.227	4	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	109.1470	0.000	1	109.1470	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	108.5730	0.000	1	108.5730	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Se<2>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.9530	0.000	1	108.9530	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(OH)(H){1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Se<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.9100	0.000	1	108.9100	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.3950	0.415	7	109.3950	0.172	7	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC[6])(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.0607	0.259	3	109.0607	0.067	3	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.2362	0.553	4	108.2878	0.243	5	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2O)	108.4940	0.000	1	108.2878	0.243	5	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2{2|H<1>,5|C<3>}	H(C[6]C[6]2O)	108.7650	0.000	1	108.7650	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	107.8545	1.995	2	107.8545	3.979	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(ON[5])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(ON[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.4100	0.000	1	109.4100	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<4>,3|H<1>}	H(C[6]C[6]2O)	109.3180	0.000	1	109.7345	0.347	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	110.1510	0.000	1	109.7345	0.347	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2O)	109.0770	0.000	1	109.0770	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OSi)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	107.6350	0.000	1	108.5615	1.717	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OSi)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2O)	109.4880	0.000	1	108.5615	1.717	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	109.4070	0.167	2	109.4070	0.028	2	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6a]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]N[6,6a]HH)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2O)	118.6450	0.000	1	118.6450	0.000	1	109.0898	1.265	2050	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HI)(OH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)(I)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HI)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)(I){2|C<3>,2|H<1>}	H(C[6]C[6]2O)	109.1780	0.000	1	109.1780	0.000	1	109.8314	0.642	12	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HI)(OC)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)(I)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(OC)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)(I){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2O)	109.2030	0.000	1	109.2030	0.000	1	109.8314	0.642	12	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HI)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)(I)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(OH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)(I){2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.9360	0.649	2	109.9360	0.421	2	109.8314	0.642	12	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[6]HI)(C[6]C[6]HN)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)(I)	H(C[6]C[6]2O)	C[6](C[6]C[6]HI)(C[6]C[6]HN)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)(I){1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2O)	108.4930	0.000	1	108.4930	0.000	1	109.8314	0.642	12	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[6]HI)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)(I)	H(C[6]C[6]2O)	C[6](C[6]C[6]HI)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)(I){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	109.9805	0.118	2	109.9805	0.014	2	109.8314	0.642	12	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[6]HI)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(I)	H(C[6]C[6]2O)	C[6](C[6]C[6]HI)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(I){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.7170	0.000	1	108.7170	0.000	1	109.8314	0.642	12	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[6]HI)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(H)(I)	H(C[6]C[6]2O)	C[6](C[6]C[6]HI)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(H)(I){1|Br<1>,1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	110.6382	0.183	4	110.6382	0.034	4	109.8314	0.642	12	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)2(H)(O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HO)2(H)(O){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	110.0302	0.484	12	110.0302	0.234	12	109.0563	3.612	19	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(H)(O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HO)2(H)(O){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	102.4860	0.000	1	105.6265	19.725	2	109.0563	3.612	19	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(H)(O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(H)(O){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.7670	0.000	1	105.6265	19.725	2	109.0563	3.612	19	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(H)(O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(H)(O){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.6760	0.000	1	108.6760	0.000	1	109.0563	3.612	19	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	107.9447	0.953	4	107.9447	0.908	4	109.0563	3.612	19	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6]HH)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	109.6880	0.000	1	109.6880	0.000	1	110.1087	0.477	3	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]HH)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.3190	0.830	2	110.3190	0.689	2	110.1087	0.477	3	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6]C)(C[6]C[4,6]HH)(O[6]C[6])(H)	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]O[6]H)(H)2	H(C[6]C[6]2O[6])	C[6](C[6]C[6,6]C[6]C)(C[6]C[4,6]HH)(O[6]C[6])(H){1|O<1>,2|H<1>,7|C<4>}	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]O[6]H)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2O[6])	107.1943	0.064	3	107.2482	0.014	4	107.2482	0.014	4	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6]C)(C[6]C[4,6]HH)(O[6]C[6])(H)	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]O[6]H)(H)2	H(C[6]C[6]2O[6])	C[6](C[6]C[6,6]C[6]C)(C[6]C[4,6]HH)(O[6]C[6])(H){1|O<1>,2|H<1>,7|C<4>}	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]O[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2O[6])	107.4100	0.000	1	107.2482	0.014	4	107.2482	0.014	4	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]2H)(O[6]C[6])(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]BrH)(Br)(H)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]BrH)(C[6]C[6]2H)(O[6]C[6])(H){1|Br<1>,4|C<4>,6|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]BrH)(Br)(H){3|C<4>,3|H<1>}	H(C[6]C[6]2O[6])	105.7760	0.000	1	105.7760	0.000	1	105.7760	0.000	1	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]CO)(H)2	H(C[6]C[6]2O[6])	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,4|C<4>,6|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]CO)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6]2O[6])	109.0170	0.000	1	109.0170	0.000	1	108.3645	0.406	4	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O[6]S[6])(H)	C[6](C[6]C[6]O[6]H)(C[6]N[6]CH)(H)2	H(C[6]C[6]2O[6])	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O[6]S[6])(H){1|C<3>,1|N<3>,2|C<4>,2|O<1>,5|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]N[6]CH)(H)2{1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2O[6])	108.8050	0.000	1	108.8050	0.000	1	108.3645	0.406	4	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6,6])(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2O[6])	C[6](C[6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6,6])(H){1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2O[6])	107.8180	0.038	2	107.8180	0.001	2	108.3645	0.406	4	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]S[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6]O[6]H)(S[6]C[6]NO)(H)2	H(C[6]C[6]2O[6])	C[6](C[6]C[6]2C)(C[6]S[6]HH)(O[6]C[6])(H){1|C<4>,1|N<1>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6]O[6]H)(S[6]C[6]NO)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2O[6])	108.8580	0.000	1	108.8580	0.000	1	108.8580	0.000	1	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	109.1066	0.340	8	109.1066	0.116	8	109.1066	0.116	8	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC)(H)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HS)(H)2{2|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6]2S)	106.5470	0.000	1	106.5470	0.000	1	107.9318	0.869	9	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HS)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2S)	109.9200	0.000	1	109.9200	0.000	1	107.9318	0.869	9	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]HS)(H)2{1|C<3>,1|N<3>,2|C<4>,7|H<1>}	H(C[6]C[6]2S)	108.0750	0.000	1	108.0750	0.000	1	107.9318	0.869	9	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(SC[6a])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(SC[6a])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HS)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2S)	107.8073	0.440	6	107.8073	0.194	6	107.9318	0.869	9	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(SC[6a])(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(SC[6a])(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HS)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2S)	108.8690	0.000	1	108.8690	0.000	1	108.4379	0.865	31	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HS)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2S)	106.5930	0.000	1	106.5930	0.000	1	108.4379	0.865	31	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HS)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2S)	108.0360	0.000	1	108.0360	0.000	1	108.4379	0.865	31	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2S)	108.1390	0.000	1	108.1390	0.000	1	108.4379	0.865	31	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a])(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a])(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HS)(H)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6]2S)	107.0460	0.000	1	107.0460	0.000	1	108.4379	0.865	31	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(SC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(SC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2S)	110.2600	0.000	1	110.7490	0.478	2	108.4379	0.865	31	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(SC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(SC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2S)	111.2380	0.000	1	110.7490	0.478	2	108.4379	0.865	31	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(SC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(SC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2S)	106.8650	0.000	1	106.8650	0.000	1	108.4379	0.865	31	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(SC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(SC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2S)	108.5570	0.000	1	108.5570	0.000	1	108.4379	0.865	31	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2S)	107.9825	1.063	4	107.9825	1.130	4	108.4379	0.865	31	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(SC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(SC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2S)	107.7930	0.000	1	107.7930	0.000	1	108.4379	0.865	31	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(SC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(SC[6a])(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2S)	108.6360	0.000	1	108.6360	0.000	1	108.4379	0.865	31	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(SC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)2(SC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2S)	108.6714	0.306	7	108.6714	0.094	7	108.4379	0.865	31	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(SC[5])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)2(SC[5])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2S)	108.1135	0.117	2	108.1135	0.014	2	108.4379	0.865	31	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(SC[5a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)2(SC[5a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2S)	108.5255	0.097	4	108.5255	0.009	4	108.4379	0.865	31	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(SNi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)2(SNi)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2S)	108.7560	0.016	2	108.7560	0.000	2	108.4379	0.865	31	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(SC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(SC[6a])(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2S)	109.0730	0.000	1	109.0730	0.000	1	108.4379	0.865	31	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Se-2:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(SeC[6a])(H)	C[6](C[6]C[6]SeH)(C[6]C[6]HO)(Cl)(H)	H(C[6]C[6]2Se)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(SeC[6a])(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]SeH)(C[6]C[6]HO)(Cl)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2Se)	108.3110	0.000	1	108.3110	0.000	1	108.3110	0.000	1	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Se-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(SeC[6a])(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]SeH)(H)2	H(C[6]C[6]2Se)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(SeC[6a])(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]SeH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2Se)	107.3510	0.000	1	107.3510	0.000	1	108.5984	0.736	5	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Se-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SeC[6a])(H)	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2Se)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SeC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2Se)	108.8150	0.000	1	108.8150	0.000	1	108.5984	0.736	5	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Se-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SeC[6a])(H)	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2Se)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SeC[6a])(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2Se)	108.2680	0.000	1	108.2680	0.000	1	108.5984	0.736	5	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Se-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(SeC[6a])(H)	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2Se)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(SeC[6a])(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2Se)	109.2790	0.553	2	109.2790	0.306	2	108.5984	0.736	5	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	P[6]-4:C[6]-4:O-2:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(OC)(H)	C[6](B[6]C[6a]2C[6])(C[6]P[6]HO)(H)2	H(C[6]C[6]P[6]O)	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(OC)(H){1|C<4>,2|H<1>,6|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]P[6]HO)(H)2{1|C<4>,2|H<1>,6|C<3>}	H(C[6]C[6]P[6]O)	104.4650	0.000	1	104.4650	0.000	1	104.4650	0.000	1	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	P[6]-4:C[6]-4:O-2:H-1:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6]P[6]HH)(OH)(H)	C[6](P[6]C[6a]2C[6])(C[6]P[6]HO)(H)2	H(C[6]C[6]P[6]O)	C[6](P[6]C[6a]2C[6])(C[6]P[6]HH)(OH)(H){1|C<4>,2|H<1>,6|C<3>}	C[6](P[6]C[6a]2C[6])(C[6]P[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,6|C<3>}	H(C[6]C[6]P[6]O)	109.2550	0.000	1	109.2550	0.000	1	109.2550	0.000	1	108.9395	1.688	4508	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[3,6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NN)(H)	C[6](C[6]C[3,6]HN)(C[6]C[6]BrH)(OH)(H)	H(C[6]C[3,6]C[6]N)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NN)(H){1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[3,6]HN)(C[6]C[6]BrH)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[3,6]C[6]N)	110.2815	0.535	2	110.2815	0.287	2	110.2815	0.287	2	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HO)(OC)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HO)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[3,6]C[6]O)	109.2800	0.000	1	109.2800	0.000	1	107.8980	1.255	8	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HO)(OH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HO)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[3,6]C[6]O)	107.9020	0.000	1	107.9020	0.000	1	107.8980	1.255	8	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HO)(OC)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HO)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[3,6]C[6]O)	109.8830	0.000	1	109.8830	0.000	1	107.8980	1.255	8	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HO)(OH)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HO)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[3,6]C[6]O)	107.7130	0.000	1	107.7130	0.000	1	107.8980	1.255	8	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[3,6]C[6]O)	107.1015	0.348	4	107.1015	0.121	4	107.8980	1.255	8	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(OOs)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HO)(OH)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(OOs)(H){2|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]O)	108.6800	0.000	1	108.6800	0.000	1	108.9698	0.359	4	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[3,6]C[3]2O[6])(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(OC)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3]2O[6])(C[6]C[6]HO)(OC)(H){1|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[3,6]C[6]O)	109.2310	0.000	1	109.2310	0.000	1	108.9698	0.359	4	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(OSi)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(OSi)(H){1|C<4>,6|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(OSi)(H){1|C<3>,2|C<4>,2|O<2>}	H(C[6]C[3,6]C[6]O)	108.3040	0.000	1	108.3040	0.000	1	108.9698	0.359	4	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HO)(OC)(H){3|C<4>,4|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[3,6]C[6]O)	109.6640	0.000	1	109.6640	0.000	1	108.9698	0.359	4	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[4,6]HO)(C[6]C[6]HO)(OC)(H)	H(C[6]C[4,6]C[6]O)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OC)(H){1|Cl<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[4,6]HO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]O)	107.8410	3.362	2	107.8410	11.300	2	109.0378	3.243	8	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[4,6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[4,6]C[6]O)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OC)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[4,6]C[6]O)	109.6340	2.729	2	109.6340	7.450	2	109.0378	3.243	8	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[4,6]HO)(C[6]O[6]HO)(OC)(H)	H(C[6]C[4,6]C[6]O)	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(OC)(H){1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[4,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[4,6]C[6]O)	109.3380	0.064	4	109.3380	0.004	4	109.0378	3.243	8	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[5,3x6]C[5,5,6]C[5,6,6])(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HO)(OC)(H)	H(C[6]C[5,5,6,6]C[6]O)	C[6](C[5,5,6,6]C[5,3x6]C[5,5,6]C[5,6,6])(C[6]C[6]HO)(OC)(H){1|N<3>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HO)(OC)(H){1|C<3>,4|C<4>}	H(C[6]C[5,5,6,6]C[6]O)	109.9110	0.000	1	109.9110	0.000	1	109.9110	0.000	1	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(OSi)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HO)(OC)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(OSi)(H){2|H<1>,3|C<4>,3|O<2>}	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HO)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6,6]C[6]O)	109.1180	0.000	1	109.1180	0.000	1	108.9275	0.073	2	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(OC)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HO)(OH)(H){1|C<2>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]O)	108.7370	0.000	1	108.7370	0.000	1	108.9275	0.073	2	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NN)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	H(C[6]C[5,6]C[6]N)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NN)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]N)	108.1570	1.590	2	108.1570	2.527	2	108.3550	2.164	4	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NN)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	H(C[6]C[5,6]C[6]N)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]N)	107.1730	0.000	1	107.1730	0.000	1	108.3550	2.164	4	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NN)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OH)(H)	H(C[6]C[5,6]C[6]N)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]N)	109.9330	0.000	1	109.9330	0.000	1	108.3550	2.164	4	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HO)(OC)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HO)(OC)(H){2|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HO)(OC)(H){1|C<3>,6|C<4>}	H(C[6]C[5,6]C[6]O)	107.7360	0.034	2	107.7360	0.001	2	109.0665	1.572	36	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HO)(OC)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HO)(OC)(H){1|C<3>,6|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HO)(OC)(H){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]O)	109.2385	0.052	2	109.2385	0.003	2	109.0665	1.572	36	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HO)(OC)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HO)(OC)(H){1|H<1>,2|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HO)(OC)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]O)	109.0890	0.000	1	109.0890	0.000	1	109.0665	1.572	36	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HO)(OC)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HO)(OC)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HO)(OC)(H){1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]O)	108.0800	0.000	1	108.0800	0.000	1	109.0665	1.572	36	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]O)	109.7153	1.516	6	109.7153	2.298	6	109.0665	1.572	36	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]O)	108.2698	1.351	6	108.2698	1.825	6	109.0665	1.572	36	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OP)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OP)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]O)	109.3390	0.000	1	109.3390	0.000	1	109.0665	1.572	36	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OSi)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OSi)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]O)	108.5435	0.063	2	108.5435	0.004	2	109.0665	1.572	36	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]O)	109.8667	1.276	6	109.8667	1.629	6	109.0665	1.572	36	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]O)	108.6385	0.909	2	108.6385	0.826	2	109.0665	1.572	36	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OP)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OP)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]O)	107.7785	1.694	2	107.7785	2.868	2	109.0665	1.572	36	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OP)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OP)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]O)	109.5400	0.000	1	109.5400	0.000	1	109.0665	1.572	36	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OP)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OP)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]O)	109.6010	0.802	2	109.6010	0.643	2	109.0665	1.572	36	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OSi)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OSi)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]O)	110.0810	0.103	2	110.0810	0.011	2	109.0665	1.572	36	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]O[6]H)(OH)(H)	C[6](C[5]C[5,6a]C[5]C)(C[6]C[5,6]HO)(O[6]C[6])(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]O[6]H)(OH)(H){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	C[6](C[5]C[5,6a]C[5]C)(C[6]C[5,6]HO)(O[6]C[6])(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]O)	109.7490	0.442	3	109.7490	0.195	3	109.7490	0.195	3	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,3x6]C[5]H)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]HO)(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,3x6]C[5]H)(C[6]C[6,6]HO)(OH)(H){1|N<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]HO)(OH)(H){4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]O)	108.3280	0.000	1	108.3280	0.000	1	109.1200	1.269	23	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]N[5,6]H)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[5,6]HO)(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6]N[5,6]H)(C[6]C[6,6]HO)(OH)(H){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[5,6]HO)(OH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]O)	110.5530	0.577	2	110.5530	0.333	2	109.1200	1.269	23	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[5,6]HO)(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6,6]HO)(OH)(H){2|H<1>,4|C<4>}	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[5,6]HO)(OH)(H){1|O<2>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]O)	113.2690	0.000	1	113.2690	0.000	1	109.1200	1.269	23	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(OH)(H){1|C<3>,7|C<4>}	H(C[6]C[5,6]C[6]O)	108.6070	0.000	1	108.7025	0.018	2	109.1200	1.269	23	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(OH)(H){8|C<4>}	H(C[6]C[5,6]C[6]O)	108.7980	0.000	1	108.7025	0.018	2	109.1200	1.269	23	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|O<2>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]O)	108.7039	0.520	7	108.7039	0.270	7	109.1200	1.269	23	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]HO)(OC)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]HO)(OC)(H){1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]O)	109.5500	0.290	2	109.5500	0.084	2	109.1200	1.269	23	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OH)(H){1|H<1>,2|O<2>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]O)	108.6773	0.481	3	108.6773	0.231	3	109.1200	1.269	23	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]O)	108.6450	0.065	4	108.6450	0.004	4	109.1200	1.269	23	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HO)(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HO)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]O)	109.0120	0.000	1	109.0120	0.000	1	109.1200	1.269	23	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HN)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(NN)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HN)(OC)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(NN)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]O)	109.2030	0.000	1	109.2030	0.000	1	109.2030	0.000	1	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HO)(OC)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]HO)(OC)(H){1|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HO)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]O)	109.5970	0.000	1	109.5970	0.000	1	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]2H)(OC)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(OC)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]2H)(OC)(H){2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]O)	109.9120	0.000	1	109.9120	0.000	1	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)2(OC)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(OC)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)2(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5,6]C[6]O)	108.6695	0.760	2	108.6695	0.578	2	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]O)	108.7100	2.041	4	108.7100	4.165	4	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[5,6]C[6]O)	108.8730	0.000	1	108.8730	0.000	1	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]O)	107.9450	0.000	1	107.9450	0.000	1	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[5,6]C[6]O)	109.6000	0.000	3	109.6000	0.000	3	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]O)	108.8825	0.497	2	108.8825	0.247	2	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H){3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]O)	109.7610	0.000	1	109.7610	0.000	1	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]O)	109.4710	0.000	1	109.4710	0.000	1	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]O)	108.4120	0.000	1	108.4120	0.000	1	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]O)	107.4357	0.413	3	108.2824	1.473	5	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]O)	109.5525	0.415	2	108.2824	1.473	5	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(OC)(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]O)	108.9260	0.000	1	108.9260	0.000	1	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[5,6]C[6]O)	105.5640	0.000	1	105.5640	0.000	1	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HO)(OC)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]O)	110.1800	0.000	1	110.1800	0.000	1	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]O)	114.7880	0.000	1	108.8408	14.050	5	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]O)	107.3540	1.999	4	108.8408	14.050	5	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]C[6]O)	109.7860	0.000	1	109.1617	0.328	3	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]C[6]O)	108.8495	0.267	2	109.1617	0.328	3	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]C[6]O)	110.0620	0.000	1	110.0620	0.000	1	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)2(OC)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)2(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5,6]C[6]O)	109.7520	0.563	2	109.7520	0.317	2	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CC)(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,5|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CC)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]O)	106.7800	0.000	1	106.7800	0.000	1	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]O)	107.9352	1.091	4	107.9352	1.191	4	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]C[6]O)	108.8030	0.000	1	108.5725	0.106	2	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]C[6]O)	108.3420	0.000	1	108.5725	0.106	2	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5]2N[6])(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]2N[6])(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]O)	108.4550	0.000	1	108.4550	0.000	1	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HO)(OH)(H){1|S<4>,3|C<4>,6|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]O)	106.9070	0.000	1	106.9070	0.000	1	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H){1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]O)	109.3945	0.269	2	109.3945	0.073	2	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OS)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(OH)(H){3|C<4>,6|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OS)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]O)	109.4810	0.000	1	109.4810	0.000	1	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OC)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]HO)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OC)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[5,6]C[6]O)	110.9250	0.000	1	110.9250	0.000	1	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]O)	109.3550	0.000	1	109.3550	0.000	1	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]O)	109.9050	0.000	1	108.9203	0.749	3	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]O)	108.5770	0.000	1	108.9203	0.749	3	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){3|H<1>,5|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H){1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[5,6]C[6]O)	108.2790	0.000	1	108.9203	0.749	3	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]O)	109.7670	0.311	2	109.7670	0.097	2	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[5,6]C[6]O)	109.4790	0.000	1	109.3855	0.017	2	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]O)	109.2920	0.000	1	109.3855	0.017	2	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>,2|O<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<4>}	H(C[6]C[5,6]C[6]O)	110.8750	0.000	1	109.8370	0.808	3	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	H(C[6]C[5,6]C[6]O)	109.3300	0.000	1	109.8370	0.808	3	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	H(C[6]C[5,6]C[6]O)	109.3060	0.000	1	109.8370	0.808	3	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	H(C[6]C[5,6]C[6]O)	107.1870	0.000	1	107.1870	0.000	1	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]O)	108.8210	0.000	1	108.8210	0.000	1	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HI)(C[6]C[5,6]HO)(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|I<1>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HI)(C[6]C[5,6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]O)	109.0235	0.146	2	109.0235	0.021	2	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]O)	109.3120	0.000	1	109.4430	0.034	2	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]O)	109.5740	0.000	1	109.4430	0.034	2	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]O)	109.1410	0.000	1	109.1410	0.000	1	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)2(OC)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]O)	110.1330	0.518	2	110.1330	0.268	2	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)2(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]O)	108.9310	0.000	1	108.9310	0.000	1	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HI)(C[6]C[5,6]HO)(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|I<1>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HI)(C[6]C[5,6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]O)	108.3590	0.000	1	108.3590	0.000	1	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]O)	109.8220	0.000	1	109.8220	0.000	1	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)2(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]O)	109.4440	0.000	1	109.4440	0.000	1	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OSi)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OSi)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]O)	109.9700	0.000	1	109.9700	0.000	1	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)2(OC)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]O)	109.8595	0.374	2	109.8595	0.140	2	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)2(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]O)	108.4315	0.838	2	108.4315	0.702	2	108.9831	1.808	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HS)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(SS)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HS)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(SS)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[5,6]C[6]O)	109.5435	0.497	2	109.5435	0.247	2	109.5435	0.247	2	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]N)(C[6]C[5,6]O[6]H)(O[6]C[6,6a])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]O[6]H)(O[6]C[5,6])(H)	H(C[6]C[5,6]C[6]O[6])	C[6](C[5,6]C[5,5]C[5,6]N)(C[6]C[5,6]O[6]H)(O[6]C[6,6a])(H){1|N<3>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]O[6]H)(O[6]C[5,6])(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]O[6])	107.3990	0.000	1	107.3990	0.000	1	108.2545	1.464	2	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]O[6]H)(O[6]C[5,6])(H)	C[6](C[5,6]C[5,5]C[5,6]N)(C[6]C[5,6]O[6]H)(O[6]C[6,6a])(H)	H(C[6]C[5,6]C[6]O[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]O[6]H)(O[6]C[5,6])(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,5]C[5,6]N)(C[6]C[5,6]O[6]H)(O[6]C[6,6a])(H){1|N<3>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]O[6])	109.1100	0.000	1	109.1100	0.000	1	108.2545	1.464	2	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5]C[5,6a]C[5]C)(C[6]C[5,6]HO)(O[6]C[6])(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]O[6]H)(OH)(H)	H(C[6]C[5]C[6]O[6])	C[6](C[5]C[5,6a]C[5]C)(C[6]C[5,6]HO)(O[6]C[6])(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]O[6]H)(OH)(H){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	H(C[6]C[5]C[6]O[6])	105.9553	0.152	3	105.9553	0.023	3	105.9553	0.023	3	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5]C[5]2C)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[5]C[6]O[6])	C[6](C[5]C[5]2C)(C[6]C[6]HO)(O[6]C[6])(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5]C[6]O[6])	108.6560	0.000	1	108.6560	0.000	1	108.6560	0.000	1	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]CH)(CN)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(CN)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]CH)(CN)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(CN)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	108.0660	0.000	1	108.0660	0.000	1	108.4860	0.353	2	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(CN)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]CH)(CN)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(CN)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]CH)(CN)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]C)	108.9060	0.000	1	108.9060	0.000	1	108.4860	0.353	2	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:N-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(NN)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HN)(OH)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(NN)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HN)(OH)(H){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]N)	108.0170	0.000	1	108.0170	0.000	1	108.0170	0.000	1	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NN)(H)	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NN)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NN)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]N)	108.2535	1.565	2	108.2535	2.449	2	108.2535	2.449	2	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(NN)(H)	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(NN)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]N)	109.0710	0.000	1	109.0710	0.000	1	109.7705	0.979	2	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(NN)(H)	C[6](C[6]C[6,6]HN)(C[6]O[6]HS)(OH)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(NN)(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HN)(C[6]O[6]HS)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]N)	110.4700	0.000	1	110.4700	0.000	1	109.7705	0.979	2	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]HO)(OH)(H)	C[6](C[5,6]C[5,3x6]C[5]H)(C[6]C[6,6]HO)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]HO)(OH)(H){4|C<4>,4|H<1>}	C[6](C[5,6]C[5,3x6]C[5]H)(C[6]C[6,6]HO)(OH)(H){1|N<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	106.9950	0.000	1	106.9950	0.000	1	107.5138	2.249	24	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[5,6]HO)(OH)(H)	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6,6]HO)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[5,6]HO)(OH)(H){1|C<3>,1|O<2>,6|C<4>}	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6,6]HO)(OH)(H){2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	107.2800	0.000	1	105.3035	7.813	2	107.5138	2.249	24	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[5,6]HO)(OH)(H)	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6,6]HO)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[5,6]HO)(OH)(H){1|O<2>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6,6]HO)(OH)(H){2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	103.3270	0.000	1	105.3035	7.813	2	107.5138	2.249	24	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(OH)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HO)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	106.2943	0.036	4	106.2943	0.001	4	107.5138	2.249	24	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]O)	107.7614	0.930	7	107.7614	0.864	7	107.5138	2.249	24	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OH)(H){1|H<1>,2|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]O)	106.9910	0.562	3	106.9910	0.316	3	107.5138	2.249	24	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(OH)(H){1|C<3>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	108.0330	0.000	1	107.6455	0.300	2	107.5138	2.249	24	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(OH)(H){8|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	107.2580	0.000	1	107.6455	0.300	2	107.5138	2.249	24	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]HO)(OC)(H){1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]O)	110.1485	0.066	2	110.1485	0.004	2	107.5138	2.249	24	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[5,6]HO)(OH)(H)	C[6](C[5,6]C[5,6,6]N[5,6]H)(C[6]C[6,6]HO)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[5,6]HO)(OH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6,6]N[5,6]H)(C[6]C[6,6]HO)(OH)(H){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	108.8475	0.986	2	108.8475	0.973	2	107.5138	2.249	24	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HO)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HO)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HO)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	108.9670	0.000	1	108.9670	0.000	1	107.5138	2.249	24	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HN)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(NN)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HN)(OH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(NN)(H){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	108.9790	0.000	1	108.9790	0.000	1	108.9790	0.000	1	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){2|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]O)	109.4725	0.383	2	109.4725	0.146	2	108.9322	0.911	38	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){2|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]O)	109.4850	0.000	1	109.4850	0.000	1	108.9322	0.911	38	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6,6]HO)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|O<2>,7|C<4>}	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6,6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]O)	105.3930	0.000	1	105.3930	0.000	1	108.9322	0.911	38	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6,6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|O<2>,7|C<4>}	H(C[6]C[6,6]C[6]O)	107.7950	0.000	1	107.7950	0.000	1	108.9322	0.911	38	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){3|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]O)	109.6680	0.000	1	109.6680	0.000	1	108.9322	0.911	38	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){3|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]O)	109.7090	0.000	1	109.7090	0.000	1	108.9322	0.911	38	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H){1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]O)	109.9470	0.000	1	109.9470	0.000	1	108.9322	0.911	38	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	108.2980	0.000	1	108.2980	0.000	1	108.9322	0.911	38	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(OH)(H){1|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]O)	109.8790	0.000	1	109.8790	0.000	1	108.9322	0.911	38	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){2|C<3>,6|C<4>}	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	109.6320	0.321	2	109.6320	0.103	2	108.9322	0.911	38	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){2|C<3>,6|C<4>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	109.3330	0.000	1	109.3330	0.000	1	108.9322	0.911	38	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){3|C<3>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	108.8470	0.000	1	108.8470	0.000	1	108.9322	0.911	38	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]O)	109.0930	0.000	1	109.6945	0.724	2	108.9322	0.911	38	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){1|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	110.2960	0.000	1	109.6945	0.724	2	108.9322	0.911	38	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H){1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]O)	109.2915	0.080	2	109.1033	0.142	4	108.9322	0.911	38	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H){1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]O)	108.9150	0.526	2	109.1033	0.142	4	108.9322	0.911	38	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){1|O<2>,7|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]O)	108.2830	0.000	1	108.2830	0.000	1	108.9322	0.911	38	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){3|C<3>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	109.5180	0.000	1	109.5180	0.000	1	108.9322	0.911	38	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	108.7350	0.000	1	108.7350	0.000	1	108.9322	0.911	38	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]O)	108.2850	0.000	1	108.1775	0.023	2	108.9322	0.911	38	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	108.0700	0.000	1	108.1775	0.023	2	108.9322	0.911	38	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	109.0495	0.234	2	108.5263	0.400	4	108.9322	0.911	38	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]O)	108.0030	0.221	2	108.5263	0.400	4	108.9322	0.911	38	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H){1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]O)	108.7040	0.000	1	108.7040	0.000	1	108.9322	0.911	38	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H){1|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]O)	109.6650	0.000	1	109.6650	0.000	1	108.9322	0.911	38	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H){1|C<3>,1|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	108.7865	0.138	2	109.4437	0.670	4	108.9322	0.911	38	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H){1|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]O)	110.1010	0.512	2	109.4437	0.670	4	108.9322	0.911	38	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H){1|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	108.8040	0.000	1	108.8040	0.000	1	108.9322	0.911	38	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){1|O<2>,7|C<4>}	H(C[6]C[6,6]C[6]O)	108.0160	0.000	1	108.0160	0.000	1	108.9322	0.911	38	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(OH)(H){1|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]O)	107.0970	0.000	1	107.0970	0.000	1	108.9322	0.911	38	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H)	C[6](C[6]C[6,6]HO)2(NN)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)2(NN)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]O)	107.8167	0.486	8	107.8167	0.236	8	108.5953	1.841	13	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC[6a])(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NN)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC[6a])(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]O)	110.2450	0.000	1	110.2450	0.000	1	108.5953	1.841	13	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NN)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]O)	110.7400	1.905	2	110.7400	3.629	2	108.5953	1.841	13	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6,6]HO)2(NN)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)2(NN)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]O)	108.7400	0.064	2	108.7400	0.004	2	108.5953	1.841	13	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	108.2842	1.091	5	107.9356	1.053	8	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]O)	107.3547	0.704	3	107.9356	1.053	8	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]N[5,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6,6]HO)(C[6]N[5,6]HH)(OH)(H){4|C<4>}	H(C[6]C[6,6]C[6]O)	107.3260	0.000	1	107.3260	0.000	1	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HO)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HO)(OC)(H){1|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]O)	106.6415	1.104	2	106.6415	1.218	2	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(OH)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]O)	108.8080	0.000	1	108.8080	0.000	1	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(OH)(H){2|C<3>,5|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	108.9070	0.000	1	108.9070	0.000	1	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(OC)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(OC)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]O)	109.7730	0.000	1	109.7730	0.000	1	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OC)(H){2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]O)	109.9950	0.000	1	109.9950	0.000	1	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){1|H<1>,7|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]O)	109.3105	0.095	2	109.3105	0.009	2	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	109.6185	0.648	2	109.6185	0.420	2	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]O)	109.5800	0.000	1	109.5800	0.000	1	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	109.2650	0.000	1	108.7798	0.425	5	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	109.3780	0.000	1	108.7798	0.425	5	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	108.4187	0.597	3	108.7798	0.425	5	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(OSi)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(OSi)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6,6]C[6]O)	109.8220	0.000	2	109.8220	0.000	2	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H){1|C<2>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]O)	107.4495	0.122	2	108.0987	1.272	3	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]O)	109.3970	0.000	1	108.0987	1.272	3	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]O)	108.5920	0.000	1	108.5920	0.000	1	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]O)	108.1737	0.773	9	108.1737	0.597	9	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6,6]C[6]O)	110.2660	0.000	1	110.2660	0.000	1	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OC)(H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6,6]C[6]O)	109.3630	0.247	2	109.3630	0.061	2	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]O)	106.8550	0.000	1	108.4410	0.717	7	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]O)	108.7053	0.523	6	108.4410	0.717	7	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6,6]C[6]O)	108.0730	0.000	1	108.0730	0.000	1	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]O)	108.2880	0.387	9	108.2880	0.150	9	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]O)	111.2030	0.311	2	110.1140	1.107	7	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]O)	110.4880	0.000	1	110.1140	1.107	7	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,1|S<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]O)	109.7340	0.000	1	110.1140	1.107	7	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]O)	109.3900	1.076	3	110.1140	1.107	7	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]O)	110.5180	0.000	1	109.7464	0.430	17	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]O)	109.6982	0.645	16	109.7464	0.430	17	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]O)	109.3200	0.000	1	109.3200	0.000	1	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){6|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	107.1450	0.000	1	107.1450	0.000	1	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]ClH)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]ClH)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]O)	108.3120	0.148	2	108.3120	0.022	2	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]O)	107.8960	2.294	2	108.4707	1.765	12	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]O)	108.5080	1.145	3	108.4707	1.765	12	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]O)	108.6030	0.239	2	108.4707	1.765	12	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]O)	107.2060	1.929	2	108.4707	1.765	12	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]O)	109.5713	0.336	3	108.4707	1.765	12	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]O)	109.4320	0.133	2	109.4320	0.018	2	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OCu)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OCu)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]O)	109.8250	0.000	1	109.8250	0.000	1	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]O)	110.2350	0.000	1	109.6657	0.988	3	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]O)	109.3810	1.220	2	109.6657	0.988	3	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]O)	109.0820	0.000	1	109.0820	0.000	1	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OS)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OS)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OS)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]O)	110.0660	0.000	1	110.0660	0.000	1	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OS)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OS)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OS)(H){1|O<2>,1|S<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]O)	109.9878	0.979	4	109.9878	0.959	4	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]O)	108.4725	0.110	2	108.4725	0.012	2	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|S<2>}	H(C[6]C[6,6]C[6]O)	106.8870	0.000	1	106.8870	0.000	1	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]O)	109.1850	0.000	1	109.1850	0.000	1	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	108.8550	0.000	1	108.9793	0.031	3	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]O)	109.0415	0.197	2	108.9793	0.031	3	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6]3)(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	108.2090	0.000	1	108.2090	0.000	1	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]O)	106.6730	0.000	1	106.6730	0.000	1	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	109.2250	0.101	3	109.0577	0.119	4	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,1|S<4>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]O)	108.5560	0.000	1	109.0577	0.119	4	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|F<1>,3|H<1>}	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]O)	108.2090	0.000	1	108.5315	0.208	2	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){2|F<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]O)	108.8540	0.000	1	108.5315	0.208	2	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]O)	109.5785	0.094	2	109.6235	0.011	4	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]O)	109.6685	0.129	2	109.6235	0.011	4	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]O)	108.9725	0.523	2	108.9725	0.273	2	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]O)	108.5825	0.369	4	108.5825	0.136	4	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]O)	109.0800	0.000	1	109.2765	0.077	2	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]O)	109.4730	0.000	1	109.2765	0.077	2	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)2(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)2(OC)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]O)	108.4140	0.000	1	108.4140	0.000	1	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OSi)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(OH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OSi)(H){2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	108.0757	0.185	4	108.0757	0.034	4	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(OSi)(H)	C[6](C[6]C[6,6]HO)2(OC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(OSi)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)2(OC)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]O)	108.4710	0.000	1	108.4710	0.000	1	108.8580	1.092	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:S-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(SC[6a])(H)	C[6](C[6]C[6,6]HS)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6,6]C[6]S)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(SC[6a])(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HS)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]S)	108.5710	0.000	1	108.5710	0.000	1	108.5710	0.000	1	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(CC[5a]HH)(O[6]C[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(CC[5a]HH)(O[6]C[6])(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.1825	0.448	2	109.1825	0.200	2	109.4729	0.222	9	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(CC[6a]HO)(O[6]C[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(CC[6a]HO)(O[6]C[6])(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.7350	0.000	1	108.7350	0.000	1	109.4729	0.222	9	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(CN[5a]HH)(O[6]C[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(CN[5a]HH)(O[6]C[6])(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.3225	0.347	2	109.3225	0.121	2	109.4729	0.222	9	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(CN[5a]HH)(O[6]C[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(CN[5a]HH)(O[6]C[6])(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.8778	0.117	4	109.8778	0.014	4	109.4729	0.222	9	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[5]-4:S[6]-2:H-1:	C[6]-4:C[5]-4:S[6]-2:H-1:	C[6]-4:	C[6](C[6]C[5]S[6]H)(C[5]C[5]2Fe)(S[6]C[5,6])(H)	C[6](C[6]C[5]S[6]H)(C[5]C[5]2Fe)(S[6]C[5,6])(H)	H(C[6]C[5]C[6]S[6])	C[6](C[6]C[5]S[6]H)(C[5]C[5]2Fe)(S[6]C[5,6])(H){1|Fe<10>,1|C<3>,1|S<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5]S[6]H)(C[5]C[5]2Fe)(S[6]C[5,6])(H){1|Fe<10>,1|C<3>,1|S<2>,2|H<1>,4|C<4>}	H(C[6]C[5]C[6]S[6])	105.8130	0.000	1	105.8130	0.000	1	105.8130	0.000	1	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(NN)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HN)(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(NN)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HN)(OC)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2N)	109.8750	0.000	1	109.8750	0.000	1	109.8750	0.000	1	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6,6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NN)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NN)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	109.6030	0.011	2	109.6030	0.000	2	109.6030	0.000	2	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NN)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC[6a])(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC[6a])(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	109.7150	0.000	1	109.7150	0.000	1	106.9784	2.409	13	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NN)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	108.5450	0.902	2	108.5450	0.814	2	106.9784	2.409	13	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)2(NN)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HO)2(NN)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	106.3596	1.231	8	106.3596	1.514	8	106.9784	2.409	13	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)2(NN)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HO)2(NN)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	106.5185	1.269	2	106.5185	1.611	2	106.9784	2.409	13	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	109.2674	0.792	276	109.2674	0.628	276	108.8702	6.211	295	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[5])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[5])(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[5])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[5])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	109.7650	0.839	2	109.7650	0.703	2	108.8702	6.211	295	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMn)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMn)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMn)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMn)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	100.1697	7.200	13	100.1697	51.844	13	108.8702	6.211	295	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NN)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NN)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NN)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	109.0020	0.000	1	109.0020	0.000	1	108.8702	6.211	295	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NN)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NN)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2N)	109.0680	0.000	1	109.0680	0.000	1	108.8702	6.211	295	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]CN)(NN)(H)	C[6](C[6]C[6]HN)2(NN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HN)(C[6]O[6]CN)(NN)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HN)2(NN)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[6]C[6]2N)	110.0310	0.000	1	110.0310	0.000	1	108.8702	6.211	295	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(NN)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CN)(NN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HN)2(NN)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]CN)(NN)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2N)	109.0830	0.000	1	109.0830	0.000	1	108.8702	6.211	295	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(NN)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(NN)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HN)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2N)	109.7950	0.000	1	109.7950	0.000	1	109.1929	0.549	31	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(NN)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(NN)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	109.5830	0.000	1	109.5830	0.000	1	109.1929	0.549	31	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC[6])(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC[6])(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	108.9663	0.264	4	108.9663	0.070	4	109.1929	0.549	31	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NN)(H)	C[6](C[6]C[6]HN)2(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NN)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)2(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	107.9970	0.000	1	107.9970	0.000	1	109.1929	0.549	31	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NN)(H)	C[6](C[6]C[6]HN)2(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NN)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)2(OC)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2N)	109.0890	0.000	1	109.0890	0.000	1	109.1929	0.549	31	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NN)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	109.8596	0.565	7	109.8596	0.320	7	109.1929	0.549	31	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NN)(H)	C[6](C[6]C[6]HN)2(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NN)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HN)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	110.1100	0.000	1	110.1100	0.000	1	109.1929	0.549	31	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CN)(NN)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]CN)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[6]C[6]2N)	109.7280	0.000	1	109.7280	0.000	1	109.1929	0.549	31	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CN)(NN)(H)	C[6](C[6]C[6]HN)2(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]CN)(NN)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HN)2(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[6]C[6]2N)	110.0910	0.000	1	110.0910	0.000	1	109.1929	0.549	31	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NN)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]2N)	108.0290	0.000	1	108.0290	0.000	1	109.1929	0.549	31	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NC)(H)	C[6](C[6]C[6]HI)(C[6]C[6]HN)(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NC)(H){1|C<4>,1|H<1>,1|I<1>}	C[6](C[6]C[6]HI)(C[6]C[6]HN)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	109.5740	0.000	1	109.5740	0.000	1	109.1929	0.549	31	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	108.8060	0.740	2	108.8060	0.547	2	109.1929	0.549	31	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NN)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	109.2023	0.387	3	109.2023	0.150	3	109.1929	0.549	31	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NN)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]2N)	108.3520	0.000	1	108.3520	0.000	1	109.1929	0.549	31	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(NC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)2(NC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	108.3695	0.390	2	108.3695	0.152	2	109.1929	0.549	31	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(NC)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)2(NC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2N)	108.1260	0.000	1	108.1260	0.000	1	109.1929	0.549	31	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(NC)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)2(NC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2N)	108.1740	0.000	1	108.1740	0.000	1	109.1929	0.549	31	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(NN)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(NN)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	109.4920	0.000	1	109.4920	0.000	1	109.1929	0.549	31	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[3,6]HN)(C[6]C[6]BrH)(OH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NN)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3,6]HN)(C[6]C[6]BrH)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NN)(H){1|Br<1>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.6420	1.277	2	108.6420	1.631	2	108.6420	1.631	2	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(OH)(H)	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HO)(OC)(H){3|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.5130	0.000	1	109.5130	0.000	1	109.0293	1.068	4	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(OSi)(H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(OSi)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(OSi)(H){1|C<3>,2|C<4>,2|O<2>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(OSi)(H){1|C<4>,6|H<1>}	H(C[6]C[6]2O)	109.4030	0.000	1	109.4030	0.000	1	109.0293	1.068	4	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[3,6]C[3]2O[6])(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[3,6]C[3]2O[6])(C[6]C[6]HO)(OC)(H){1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2O)	109.7100	0.000	1	109.7100	0.000	1	109.0293	1.068	4	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(OOs)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(OOs)(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HO)(OH)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	107.4910	0.000	1	107.4910	0.000	1	109.0293	1.068	4	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[4,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[4,6]HO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OC)(H){1|Cl<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.5220	1.657	2	108.5220	2.747	2	109.5471	1.199	8	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[4,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[4,6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OC)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.9540	0.181	2	108.9540	0.033	2	109.5471	1.199	8	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[4,6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[4,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(OC)(H){1|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	110.3563	0.253	4	110.3563	0.064	4	109.5471	1.199	8	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[5,5,6,6]C[5,3x6]C[5,5,6]C[5,6,6])(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HO)(OC)(H){1|C<3>,4|C<4>}	C[6](C[5,5,6,6]C[5,3x6]C[5,5,6]C[5,6,6])(C[6]C[6]HO)(OC)(H){1|N<3>,1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6]2O)	108.8160	0.000	1	108.8160	0.000	1	108.8160	0.000	1	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(OSi)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HO)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(OSi)(H){2|H<1>,3|C<4>,3|O<2>}	H(C[6]C[6]2O)	108.5940	0.000	1	108.5940	0.000	1	108.4535	0.039	2	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(OC)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HO)(OH)(H){1|C<2>,1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6]2O)	108.3130	0.000	1	108.3130	0.000	1	108.4535	0.039	2	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NN)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NN)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.8740	0.335	2	108.8740	0.112	2	108.9062	0.078	4	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NN)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	109.1800	0.000	1	109.1800	0.000	1	108.9062	0.078	4	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OH)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NN)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	108.6970	0.000	1	108.6970	0.000	1	108.9062	0.078	4	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HO)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]HO)(OC)(H){1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2O)	108.5350	0.000	1	108.5350	0.000	1	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2O)	107.9210	0.000	1	107.9210	0.000	1	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HI)(C[6]C[5,6]HO)(OH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HI)(C[6]C[5,6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|I<1>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.1605	0.426	2	109.1605	0.182	2	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HI)(C[6]C[5,6]HO)(OH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HI)(C[6]C[5,6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|I<1>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.0060	0.000	1	109.0060	0.000	1	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.8725	0.370	2	108.8725	0.137	2	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.9860	0.000	1	109.9860	0.000	1	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<2>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.1020	0.000	1	108.9210	0.066	2	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.7400	0.000	1	108.9210	0.066	2	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.7230	0.000	1	108.7230	0.000	1	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<2>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.7340	0.000	1	108.7340	0.000	1	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OSi)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OSi)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.8880	0.000	1	108.8880	0.000	1	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]2H)(OC)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]2H)(OC)(H){2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(OC)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2O)	107.3250	0.000	1	107.3250	0.000	1	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]CC)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]CC)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,5|C<4>}	H(C[6]C[6]2O)	107.0040	0.000	1	107.0040	0.000	1	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	107.8620	0.000	1	107.8010	1.205	3	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){3|H<1>,4|C<4>}	H(C[6]C[6]2O)	106.6740	0.000	1	107.8010	1.205	3	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){3|H<1>,5|C<4>}	H(C[6]C[6]2O)	108.8670	0.000	1	107.8010	1.205	3	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OC)(H)	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OC)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]HO)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.9850	0.000	1	108.9850	0.000	1	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H){3|C<4>,5|H<1>}	H(C[6]C[6]2O)	108.8610	0.000	1	108.8610	0.000	1	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H){4|C<4>,4|H<1>}	H(C[6]C[6]2O)	106.4860	0.000	1	106.4860	0.000	1	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HO)(OH)(H){1|S<4>,3|C<4>,6|H<1>}	H(C[6]C[6]2O)	108.2890	0.000	1	108.2890	0.000	1	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H){1|O<2>,4|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2O)	108.4585	0.153	2	108.4585	0.024	2	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OS)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OS)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(OH)(H){3|C<4>,6|H<1>}	H(C[6]C[6]2O)	109.9120	0.000	1	109.9120	0.000	1	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.1990	0.000	1	109.1990	0.000	1	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.3145	2.139	2	108.3145	4.575	2	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	H(C[6]C[6]2O)	108.0930	0.000	1	108.8087	1.256	3	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2O)	110.1000	0.000	1	108.8087	1.256	3	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<4>}	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>,2|O<1>}	H(C[6]C[6]2O)	108.2330	0.000	1	108.8087	1.256	3	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2O)	109.4128	1.284	4	109.4128	1.649	4	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.1010	0.000	1	108.1010	0.000	1	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.6570	0.000	1	108.6570	0.000	1	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	106.8840	0.000	1	109.1790	1.885	5	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.7528	0.564	4	109.1790	1.885	5	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[5,6]C[5]2N[6])(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2N[6])(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2O)	109.9140	0.000	1	109.9140	0.000	1	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H){2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.9770	0.515	2	108.5230	0.430	5	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.2203	0.619	3	108.5230	0.430	5	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(OC)(H){2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2O)	108.8970	0.000	1	108.8970	0.000	1	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.6713	1.075	4	109.6713	1.156	4	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2O)	108.9860	0.000	1	108.4410	0.594	2	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|N<3>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2O)	107.8960	0.000	1	108.4410	0.594	2	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	110.1030	0.000	1	110.1030	0.000	1	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.9160	0.000	1	109.9160	0.000	1	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2O)	114.2030	0.000	1	114.2030	0.000	1	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]2O)	109.6590	0.000	1	109.7213	0.389	3	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.7525	0.879	2	109.7213	0.389	3	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.5010	0.000	3	108.5010	0.000	3	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.7260	0.000	1	108.7260	0.000	1	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.4610	0.000	1	109.1455	0.199	2	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.8300	0.000	1	109.1455	0.199	2	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)2(OC)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)2(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(OC)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.0520	0.105	2	109.0520	0.011	2	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)2(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)2(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.0680	0.071	2	109.0680	0.005	2	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)2(OC)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.8465	0.124	2	109.8465	0.015	2	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)2(OC)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	109.8165	0.083	2	109.8165	0.007	2	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)2(OH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.9510	0.000	1	108.9510	0.000	1	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)2(OH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.6250	0.000	1	108.6250	0.000	1	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)2(OH)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	108.7935	0.235	2	108.7935	0.055	2	108.9756	1.192	79	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[5]C[5]2C)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5]C[5]2C)(C[6]C[6]HO)(O[6]C[6])(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2O)	110.4660	0.000	1	110.4660	0.000	1	110.4660	0.000	1	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(OH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(NN)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(NN)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.0120	0.000	1	109.0120	0.000	1	109.0630	0.005	2	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6]O[6]HS)(OH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(NN)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HN)(C[6]O[6]HS)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(NN)(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.1140	0.000	1	109.1140	0.000	1	109.0630	0.005	2	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HO)(OC)(H){1|C<4>,3|C<3>}	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6]2O)	106.2745	0.392	2	106.2745	0.154	2	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|F<1>,3|H<1>}	H(C[6]C[6]2O)	109.3850	0.000	1	108.9805	0.327	2	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){2|F<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2O)	108.5760	0.000	1	108.9805	0.327	2	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]2O)	109.4275	0.510	2	109.4275	0.260	2	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]2O)	108.1732	0.934	4	108.1732	0.873	4	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]2O)	109.5100	0.000	1	109.0170	0.486	2	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]2O)	108.5240	0.000	1	109.0170	0.486	2	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OSi)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OSi)(H){2|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.2957	0.208	3	109.2957	0.043	3	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(OC)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){6|C<4>}	H(C[6]C[6]2O)	109.0450	0.000	1	109.0450	0.000	1	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(OH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(OH)(H){2|C<3>,5|C<4>}	H(C[6]C[6]2O)	108.5510	0.000	1	108.5510	0.000	1	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(OC)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(OC)(H){4|C<4>,4|H<1>}	H(C[6]C[6]2O)	107.8730	0.000	1	107.8730	0.000	1	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){1|H<1>,7|C<4>}	H(C[6]C[6]2O)	108.6735	0.134	2	108.6735	0.018	2	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OC)(H){2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2O)	109.9130	0.000	1	109.9130	0.000	1	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2O)	108.2420	0.000	1	108.2420	0.000	1	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6]2O)	107.4160	0.000	1	107.0203	0.118	3	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H){1|C<2>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2O)	106.8225	0.025	2	107.0203	0.118	3	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]ClH)(OC)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]ClH)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2O)	110.0685	0.037	2	110.0685	0.001	2	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){1|H<1>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.3540	0.831	5	109.1741	0.486	8	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){1|O<2>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.8743	0.319	3	109.1741	0.486	8	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){4|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.7945	0.151	2	109.7945	0.023	2	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<3>}	H(C[6]C[6]2O)	109.5830	0.359	9	109.5830	0.129	9	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.5510	0.000	1	108.8588	0.271	5	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2O)	108.1760	0.000	1	108.8588	0.271	5	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){4|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.8557	0.264	3	108.8588	0.271	5	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H){4|C<4>,4|H<1>}	H(C[6]C[6]2O)	107.4240	0.000	1	107.4240	0.000	1	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2O)	109.0270	0.000	1	109.0270	0.000	1	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2O)	107.7610	0.000	1	108.7677	0.789	3	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|O<2>,4|C<4>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2O)	109.2710	0.239	2	108.7677	0.789	3	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6]2O)	108.2340	0.000	1	108.2340	0.000	1	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.0060	0.000	1	108.0060	0.000	1	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OH)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(OH)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.1030	0.000	1	108.1030	0.000	1	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,1|S<4>,2|C<4>,3|H<1>}	H(C[6]C[6]2O)	111.1160	0.000	1	109.6985	0.902	4	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.2260	0.114	3	109.6985	0.902	4	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H){2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.4830	0.595	10	108.4830	0.354	10	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2O)	109.4298	0.485	6	109.4643	0.204	7	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2O)	109.6710	0.000	1	109.4643	0.204	7	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2O)	109.0730	0.724	2	108.7750	0.407	4	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.4770	0.585	2	108.7750	0.407	4	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]N[5,6]HH)(OH)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]N[5,6]HH)(OH)(H){4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2O)	109.3730	0.000	1	109.3730	0.000	1	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(OSi)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(OSi)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2O)	108.0150	0.000	2	108.0150	0.000	2	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.7020	0.000	1	110.7020	0.000	1	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.8820	0.605	2	110.0029	0.498	7	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2O)	110.2900	0.000	1	110.0029	0.498	7	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,1|S<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.8390	0.000	1	110.0029	0.498	7	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2O)	109.7090	0.881	3	110.0029	0.498	7	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.8775	0.021	2	109.8775	0.000	2	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|S<2>}	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.7030	0.000	1	110.7030	0.000	1	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.3550	0.000	1	108.3550	0.000	1	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.0030	0.143	2	108.4180	1.341	12	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2O)	108.2830	0.256	3	108.4180	1.341	12	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.8165	0.218	2	108.4180	1.341	12	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2O)	106.4860	0.839	2	108.4180	1.341	12	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.5187	0.691	3	108.4180	1.341	12	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OC)(H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2O)	109.4875	0.128	2	109.4875	0.016	2	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<2>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.4610	0.964	2	108.4610	0.930	2	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OCu)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OCu)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.0770	0.000	1	108.0770	0.000	1	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.8410	0.000	1	108.4070	0.324	3	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.1900	0.605	2	108.4070	0.324	3	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.2560	0.000	1	108.6597	0.562	17	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.6224	0.758	16	108.6597	0.562	17	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.8300	0.000	1	108.8300	0.000	1	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OS)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OS)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OS)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	110.7320	0.000	1	110.7320	0.000	1	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OC)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.9440	0.000	1	108.9440	0.000	1	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OS)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OS)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OS)(H){1|O<2>,1|S<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.0590	0.945	4	110.0590	0.893	4	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)2(OC)(H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)2(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.1230	0.000	1	108.1230	0.000	1	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)2(OC)(H)	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(OSi)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)2(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(OSi)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.0540	0.000	1	108.0540	0.000	1	108.9174	0.945	145	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HS)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(SC[6a])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HS)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(SC[6a])(H){3|C<4>,5|H<1>}	H(C[6]C[6]2O)	109.7230	0.000	1	109.7230	0.000	1	109.7230	0.000	1	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)(CN[5a]HH)(O[6]C[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(CN[5a]HH)(O[6]C[6])(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	110.1415	0.640	2	110.1415	0.410	2	109.3433	0.695	9	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(CC[5a]HH)(O[6]C[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(CC[5a]HH)(O[6]C[6])(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.4030	0.465	2	108.4030	0.216	2	109.3433	0.695	9	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(CC[6a]HO)(O[6]C[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(CC[6a]HO)(O[6]C[6])(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.2560	0.000	1	108.2560	0.000	1	109.3433	0.695	9	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(CN[5a]HH)(O[6]C[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(CN[5a]HH)(O[6]C[6])(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.6863	0.283	4	109.6863	0.080	4	109.3433	0.695	9	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(NN)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(NN)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.1340	0.000	1	109.1340	0.000	1	109.5024	0.549	32	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HI)(C[6]C[6]HN)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HI)(C[6]C[6]HN)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NC)(H){1|C<4>,1|H<1>,1|I<1>}	H(C[6]C[6]2O)	108.5540	0.000	1	108.5540	0.000	1	109.5024	0.549	32	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(NN)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(NN)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2O)	109.5070	0.105	2	109.5070	0.011	2	109.5024	0.549	32	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NN)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.2013	0.409	7	109.2013	0.168	7	109.5024	0.549	32	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CN)(NN)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CN)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.6060	0.000	1	108.6060	0.000	1	109.5024	0.549	32	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NN)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.8910	0.000	1	108.8910	0.000	1	109.5024	0.549	32	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	110.7745	0.820	2	110.7745	0.672	2	109.5024	0.549	32	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NN)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.6967	0.443	3	109.6967	0.196	3	109.5024	0.549	32	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NN)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	110.6200	0.000	1	110.6200	0.000	1	109.5024	0.549	32	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(NC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(NC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.7995	1.554	2	109.7995	2.413	2	109.5024	0.549	32	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC[6])(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.8388	0.559	4	109.8388	0.312	4	109.5024	0.549	32	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(NC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(NC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	107.8030	0.000	1	107.8030	0.000	1	109.5024	0.549	32	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(NC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(NC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.3700	0.000	1	109.3700	0.000	1	109.5024	0.549	32	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(OC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NN)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)2(OC)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NN)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	109.9830	0.000	1	109.9830	0.000	1	109.5024	0.549	32	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NN)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NN)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2O)	109.0490	0.000	1	109.0490	0.000	1	109.5024	0.549	32	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CN)(NN)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)2(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CN)(NN)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2O)	109.9190	0.000	1	109.9190	0.000	1	109.5024	0.549	32	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NN)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)2(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NN)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.6130	0.000	1	109.6130	0.000	1	109.5024	0.549	32	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(NN)(H)	H(C[6]C[6]2O)	C[6](C[6]N[5,6]HH)(C[6]C[6]HN)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(NN)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	109.5200	0.000	1	109.5200	0.000	1	109.5024	0.549	32	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(OS)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(OS)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.6280	0.000	1	108.6280	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(OS)(H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(OS)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.6640	0.000	1	110.6640	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3,6]CH)(C[6]C[6]HO)(OOs)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(OOs)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3,6]CH)(C[6]C[6]HO)(OOs)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(OOs)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2O)	108.1930	0.000	1	108.1930	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	108.7050	0.602	2	108.7050	0.363	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.6870	0.000	1	109.6870	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(OOs)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]HO)(OOs)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(OOs)(H){2|H<1>,3|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]HO)(OOs)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	107.9270	0.000	1	107.9270	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3]C[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3]C[6]H)(C[6]C[6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.6920	0.000	1	109.6920	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[4,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[4,6]HO)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[4,6]HO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]HO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.3895	1.941	2	108.3895	3.768	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HO)(OC)(H){1|C<3>,4|C<4>}	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.7110	0.000	1	108.7110	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HO)(OC)(H){1|C<3>,4|C<4>}	H(C[6]C[6]2O)	107.7700	0.000	1	107.7700	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.7890	0.000	1	108.7890	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.1310	0.000	1	109.1310	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.7827	0.370	3	108.7615	0.093	4	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	108.6980	0.000	1	108.7615	0.093	4	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]N[5,6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	107.2140	0.000	1	107.2140	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.2470	0.000	1	108.2470	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.6880	0.000	1	110.0758	1.094	10	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	110.0075	0.299	4	110.0758	1.094	10	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.1090	0.000	1	110.0758	1.094	10	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.9828	0.399	4	110.0758	1.094	10	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.9180	0.000	1	109.9180	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.9130	0.000	1	108.3420	0.411	4	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.1517	0.632	3	108.3420	0.411	4	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.3603	1.186	4	108.5613	0.978	6	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2O)	108.9635	0.435	2	108.5613	0.978	6	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	108.9920	0.000	1	108.9920	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]N[5,6]HN)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]N[5,6]HN)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	107.8170	0.000	1	107.8170	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]OO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]OO)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,2|O<2>}	H(C[6]C[6]2O)	108.6840	0.000	1	108.6840	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]N[5a,6]CH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[5a,6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	H(C[6]C[6]2O)	109.0550	0.445	2	109.0550	0.198	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2O)	109.0096	0.229	12	109.0939	0.115	14	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){5|C<4>}	H(C[6]C[6]2O)	109.6000	0.569	2	109.0939	0.115	14	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){5|C<4>}	H(C[6]C[6]2O)	108.4179	0.610	15	108.4179	0.372	15	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2O)	110.2710	0.000	1	109.4825	1.243	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.6940	0.000	1	109.4825	1.243	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.8715	0.241	2	109.8715	0.058	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.4760	0.449	12	110.4334	0.185	14	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	110.1775	0.179	2	110.4334	0.185	14	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	106.1750	0.188	2	106.1750	0.035	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.2470	0.000	1	108.9530	0.130	10	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.9520	0.000	1	108.9530	0.130	10	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.9164	0.392	8	108.9530	0.130	10	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(ON[5])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(ON[5])(H){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	107.2640	0.000	1	107.2640	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.2490	0.000	1	109.2490	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC[6a])(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OS)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC[6a])(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OS)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2O)	110.2170	0.000	1	110.2170	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.2411	0.632	14	109.2411	0.400	14	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2O)	109.3470	0.171	2	108.5342	0.458	18	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2O)	109.2235	0.103	2	108.5342	0.458	18	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.4396	0.686	8	108.5342	0.458	18	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2O)	108.8960	0.000	1	108.5342	0.458	18	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	107.7805	0.073	2	108.5342	0.458	18	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.0180	0.539	2	108.5342	0.458	18	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.4640	0.000	1	108.5342	0.458	18	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	109.2640	0.000	1	109.2640	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2O)	107.4720	0.000	1	107.4720	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(ON[5])(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(ON[5])(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	107.6500	0.000	1	107.6500	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OS)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC[6a])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OS)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC[6a])(H){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.6750	0.000	1	109.6750	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	109.2287	0.107	3	109.2287	0.011	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	111.1210	0.000	1	111.1210	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	107.9000	0.000	1	107.9000	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2O)	108.4673	0.585	10	108.4673	0.342	10	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.7565	1.026	2	108.6305	0.486	4	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	108.5045	0.585	2	108.6305	0.486	4	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]CO)(C[6]C[6]HO)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H){2|C<3>,2|O<2>}	H(C[6]C[6]2O)	109.1020	0.000	1	109.1020	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6a]CO)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H){2|C<3>,2|O<2>}	C[6](C[6]C[6,6a]CO)(C[6]C[6]HO)(OH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2O)	109.8090	0.000	1	109.8090	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2O)	109.7473	0.557	12	109.7473	0.310	12	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2O)	110.2150	0.000	1	110.2150	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2O)	108.9110	0.000	1	108.9110	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2O)	109.1513	0.746	16	109.1513	0.556	16	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]BrH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|Br<1>,1|C<4>,1|H<1>}	H(C[6]C[6]2O)	109.3780	0.000	1	109.3780	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H){1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H){1|H<1>,4|C<4>}	H(C[6]C[6]2O)	107.0380	0.000	1	107.0380	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<3>,3|C<4>}	H(C[6]C[6]2O)	108.9700	0.392	2	108.9700	0.153	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H){2|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){3|C<4>}	H(C[6]C[6]2O)	108.5155	0.630	2	108.5155	0.397	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.5670	0.000	1	109.5670	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|H<1>,2|C<4>}	H(C[6]C[6]2O)	108.5288	0.710	5	108.5288	0.504	5	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H){1|H<1>,2|C<4>}	H(C[6]C[6]2O)	109.4460	0.000	1	109.4460	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.2000	0.113	2	108.6613	0.645	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.5840	0.000	1	108.6613	0.645	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC[6])(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC[6])(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.8440	0.000	1	108.8440	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.3070	0.000	1	108.4965	0.072	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.6860	0.000	1	108.4965	0.072	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.3810	0.153	2	108.3810	0.023	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	106.8720	0.000	1	106.8720	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|H<1>,4|C<4>}	H(C[6]C[6]2O)	108.7623	0.211	3	107.9444	2.696	8	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	107.4536	1.973	5	107.9444	2.696	8	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	107.8810	0.000	1	107.8810	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	107.3950	0.000	1	107.3950	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|N<3>,2|C<4>}	H(C[6]C[6]2O)	108.9990	0.000	1	108.9990	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CN)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|N<3>,4|C<4>}	H(C[6]C[6]2O)	107.3870	0.000	1	107.3870	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.7100	0.000	1	109.7100	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.9853	0.438	3	109.1070	0.147	5	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	109.2895	0.303	2	109.1070	0.147	5	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.0200	0.000	1	109.0200	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.8420	0.045	2	108.8420	0.002	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	107.6102	0.919	4	107.6102	0.845	4	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.2730	0.000	1	108.2730	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){2|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|O<2>,2|C<4>}	H(C[6]C[6]2O)	109.2860	0.000	1	109.2860	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2O)	108.1825	0.585	4	108.3376	0.377	5	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.9580	0.000	1	108.3376	0.377	5	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]ClC)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|Cl<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.4320	0.000	1	110.4320	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]ClFe)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]ClFe)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(OC)(H){1|Cl<1>,1|C<4>,1|H<1>}	H(C[6]C[6]2O)	113.9690	0.000	1	113.9690	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H){1|Cl<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H){1|Cl<1>,1|C<3>,2|H<1>}	H(C[6]C[6]2O)	110.2800	0.581	2	110.2800	0.338	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|Cl<1>,1|C<4>,1|H<1>}	H(C[6]C[6]2O)	108.2880	0.776	8	108.2880	0.603	8	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|Cl<1>,1|C<4>,1|H<1>}	H(C[6]C[6]2O)	109.8560	0.626	3	109.8560	0.392	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|Cl<1>,1|C<4>,1|H<1>}	H(C[6]C[6]2O)	108.7897	0.692	3	108.7897	0.479	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H){1|H<1>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H){1|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]2O)	108.5480	0.000	1	108.5480	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]2O)	109.4420	0.000	1	109.4420	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<4>,1|H<1>,2|F<1>}	H(C[6]C[6]2O)	109.6005	0.897	2	109.6005	0.805	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,2|F<1>}	H(C[6]C[6]2O)	110.0290	0.000	1	110.0290	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|F<1>,1|H<1>}	H(C[6]C[6]2O)	109.1915	0.513	2	109.1915	0.263	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|F<1>,1|H<1>}	H(C[6]C[6]2O)	109.2100	0.000	1	109.2100	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.4280	0.246	4	109.4280	0.060	4	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]ClFe)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(OC)(H){1|Cl<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]ClFe)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.7310	0.000	1	108.7310	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2O)	107.5780	1.879	2	107.5780	3.532	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OB)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OB)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.0580	0.000	1	109.0580	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[3]C[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.6650	0.000	1	108.6650	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.8500	0.000	1	109.8500	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	110.4580	0.000	1	110.4580	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.5060	0.000	1	109.5060	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]ClC)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]ClC)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.2340	0.000	1	109.2340	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.3811	1.486	74	108.3811	2.209	74	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.5826	0.419	8	109.5826	0.175	8	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.2100	0.000	2	109.3793	0.086	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.7180	0.000	1	109.3793	0.086	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.7745	0.753	2	109.7745	0.567	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2O)	110.1470	0.000	1	110.1470	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.7913	0.862	3	109.7913	0.744	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.0255	0.110	2	110.0255	0.012	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.3830	0.000	1	109.3830	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.3483	0.506	4	110.3483	0.256	4	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	110.3420	0.000	1	109.9077	0.192	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2O)	109.9160	0.000	1	109.9077	0.192	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.4650	0.000	1	109.9077	0.192	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OB)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OB)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.9880	0.000	1	108.9880	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.2829	0.378	8	109.2829	0.143	8	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	110.0352	0.345	6	110.0352	0.119	6	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.3680	0.487	7	109.3680	0.237	7	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.5320	0.000	1	108.5320	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|H<1>,4|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.4523	0.328	3	108.2460	0.223	8	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.1222	0.534	5	108.2460	0.223	8	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]CN)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]CN)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.4480	0.000	1	108.4480	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.7610	0.000	1	108.7610	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.6660	0.000	1	108.6660	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.0040	0.000	2	109.0370	0.003	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.1030	0.000	1	109.0370	0.003	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.1270	0.136	7	109.1270	0.018	7	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.6518	0.896	6	108.6147	0.598	20	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.5987	0.751	14	108.6147	0.598	20	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.6770	0.000	1	108.6770	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.0670	0.814	5	108.2957	0.738	7	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.8675	0.930	2	108.2957	0.738	7	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]HW)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|W<7>}	C[6](C[6]C[6]HO)(C[6]C[6]HW)(OC)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2O)	108.5300	0.000	2	108.5300	0.000	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.4520	0.000	1	108.1447	1.175	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	107.9910	1.486	2	108.1447	1.175	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.9550	0.672	2	109.5877	0.630	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.8530	0.000	1	109.5877	0.630	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.0530	0.000	1	108.6133	0.091	6	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.7254	0.138	5	108.6133	0.091	6	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.1308	0.625	6	108.3309	0.433	9	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.4650	0.600	2	108.3309	0.433	9	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.2630	0.000	1	108.3309	0.433	9	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(OH)(H){3|C<3>,3|H<1>}	H(C[6]C[6]2O)	108.8660	0.000	1	108.8660	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2O)	109.3600	0.000	1	109.3600	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OP)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	110.0320	0.751	4	110.0320	0.564	4	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OS)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OS)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.9820	0.000	1	109.1620	0.065	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OS)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OS)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.3420	0.000	1	109.1620	0.065	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.4825	0.438	2	109.4825	0.192	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2O)	109.8040	0.000	1	109.8040	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HI)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HI)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|I<1>}	H(C[6]C[6]2O)	108.7940	0.000	1	108.7940	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2O)	108.3090	0.000	1	108.3090	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2O)	109.6060	0.000	1	109.6060	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2O)	110.7350	0.000	1	110.7350	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2O)	108.7120	0.000	1	109.9292	1.146	20	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2O)	108.8990	0.000	1	109.9292	1.146	20	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2O)	110.5430	0.000	1	109.9292	1.146	20	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2O)	109.8850	0.000	1	109.9292	1.146	20	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2O)	110.7205	1.629	4	109.9292	1.146	20	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2O)	110.0189	0.841	8	109.9292	1.146	20	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<4>}	H(C[6]C[6]2O)	110.0740	0.397	2	109.9292	1.146	20	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2O)	108.6820	0.233	2	109.9292	1.146	20	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2O)	109.3250	0.000	1	109.9230	0.715	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2O)	110.5210	0.000	1	109.9230	0.715	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2O)	112.6630	0.000	1	112.6630	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2O)	113.1000	0.000	1	113.1000	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H){1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2O)	109.2010	0.529	4	109.2010	0.280	4	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2O)	109.1970	0.300	3	109.1970	0.090	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.3570	0.027	2	109.0558	0.415	5	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.5950	0.000	1	109.0558	0.415	5	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	109.4850	0.158	2	109.0558	0.415	5	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC[6])(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC[6])(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<2>,1|N<4>,2|H<1>}	H(C[6]C[6]2O)	109.8317	0.549	4	109.8317	0.302	4	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	108.8873	0.128	3	108.8873	0.016	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	108.3026	0.564	5	108.4741	0.310	7	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	108.9030	0.270	2	108.4741	0.310	7	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OS)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OS)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	107.5230	0.000	1	108.6595	2.583	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OS)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OS)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	109.7960	0.000	1	108.6595	2.583	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.5175	0.067	2	109.5175	0.005	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H){1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2O)	109.1355	2.098	2	109.1355	4.402	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2O)	109.0445	0.542	2	108.8592	0.571	17	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2O)	106.6530	0.000	1	108.8592	0.571	17	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2O)	108.9815	0.469	11	108.8592	0.571	17	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<4>}	H(C[6]C[6]2O)	108.9105	1.180	2	108.8592	0.571	17	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2O)	109.2470	0.000	1	108.8592	0.571	17	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|N<4>}	H(C[6]C[6]2O)	107.7940	0.000	1	107.7940	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<2>,1|N<4>,2|H<1>}	H(C[6]C[6]2O)	109.0795	1.075	4	108.9680	0.362	12	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|N<4>}	H(C[6]C[6]2O)	108.8500	0.246	6	108.9680	0.362	12	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.9570	0.000	1	108.9680	0.362	12	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.2410	0.000	1	108.9680	0.362	12	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]HP)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]HP)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|P<4>}	H(C[6]C[6]2O)	110.4590	0.000	1	110.4590	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]HW)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]HW)(OC)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|W<7>}	H(C[6]C[6]2O)	109.1790	0.000	2	109.1790	0.000	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.5900	0.000	1	109.5900	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H){1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	107.9085	2.201	2	107.9085	4.845	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OC)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.5210	0.529	2	108.5210	0.280	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	107.8557	0.499	3	107.8557	0.249	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2O)	109.9380	2.273	2	108.9437	5.549	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	106.9550	0.000	1	108.9437	5.549	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|N<2>,3|H<1>}	H(C[6]C[6]2O)	107.9840	0.000	1	107.9827	1.398	4	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2O)	107.6710	1.901	2	107.9827	1.398	4	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	108.6050	0.000	1	107.9827	1.398	4	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OSi)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	109.6400	0.000	1	109.6400	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.7570	0.000	1	109.7570	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OC)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2O)	110.8780	0.000	1	110.8780	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2O)	109.3685	0.566	2	109.3685	0.321	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<4>,1|H<1>,2|F<1>}	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	109.6260	1.182	2	109.6260	1.398	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	107.6270	0.000	1	107.6270	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|N<2>,3|H<1>}	H(C[6]C[6]2O)	109.6640	0.000	1	108.5389	0.979	7	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2O)	109.1245	0.385	2	108.5389	0.979	7	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	107.9647	0.905	4	108.5389	0.979	7	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OSi)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HP)(OS)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OSi)(H){1|C<3>,1|H<1>,1|O<2>,1|P<4>}	C[6](C[6]C[6]HO)(C[6]O[6]HP)(OS)(H){1|N<3>,2|H<1>}	H(C[6]C[6]2O)	109.8600	0.000	1	109.8600	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CC)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CC)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2O)	109.0000	0.000	1	109.0000	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2O)	109.7060	0.000	1	109.7060	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.9646	0.613	5	109.9646	0.376	5	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]CN)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]CN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.2760	0.000	1	108.2760	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|Cl<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.1124	0.721	8	110.1124	0.519	8	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|F<1>,1|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.4870	0.059	2	109.4870	0.004	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.9655	0.285	2	109.9655	0.081	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HI)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|I<1>}	C[6](C[6]C[6]HI)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	110.2170	0.000	1	110.2170	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[6]C[6]2O)	109.5350	0.000	1	109.9767	0.456	20	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.9960	0.000	1	109.9767	0.456	20	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]2O)	110.2570	0.000	1	109.9767	0.456	20	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.8293	0.321	4	109.9767	0.456	20	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]2O)	110.4910	0.000	1	109.9767	0.456	20	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	110.3607	0.721	8	109.9767	0.456	20	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.0445	0.356	2	109.9767	0.456	20	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.9820	0.296	2	109.9767	0.456	20	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]HP)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|P<4>}	C[6](C[6]C[6]HO)(C[6]C[6]HP)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	110.2950	0.000	1	110.2950	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(C[6]P[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|H<1>,1|O<2>,1|P<4>}	C[6](C[6]C[6]HO)(C[6]P[6]HO)(OC)(H){1|B<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2O)	109.7190	0.000	1	109.7300	0.048	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(C[6]P[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|H<1>,1|O<2>,1|P<4>}	C[6](C[6]C[6]HO)(C[6]P[6]HO)(OC)(H){1|B<4>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.7355	0.309	2	109.7300	0.048	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.2930	0.000	1	110.0367	0.707	186	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.2435	0.081	2	110.0367	0.707	186	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.8160	0.082	2	110.0367	0.707	186	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|I<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.3820	0.000	2	110.0367	0.707	186	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	111.2905	1.460	2	110.0367	0.707	186	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.1090	0.000	1	110.0367	0.707	186	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.4615	1.311	4	110.0367	0.707	186	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.4647	0.920	11	110.0367	0.707	186	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.2579	1.159	29	110.0367	0.707	186	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]2O)	109.9534	0.611	26	110.0367	0.707	186	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	H(C[6]C[6]2O)	110.0385	0.585	2	110.0367	0.707	186	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.9961	0.734	79	110.0367	0.707	186	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2O)	110.0800	0.826	2	110.0367	0.707	186	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|Ir<6>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.2460	1.755	2	110.0367	0.707	186	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.6647	0.717	18	110.0367	0.707	186	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|Pd<4>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.5945	0.155	2	110.0367	0.707	186	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|Se<2>,1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.1580	0.000	1	110.0367	0.707	186	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC[6])(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	110.7820	0.000	1	110.7820	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.9297	0.439	6	109.2540	0.369	9	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.8080	0.000	1	109.2540	0.369	9	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.9500	0.284	2	109.2540	0.369	9	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.8812	0.866	4	109.8812	0.751	4	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	110.1920	0.000	1	109.6995	0.867	23	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.1660	0.000	1	109.6995	0.867	23	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.6538	0.964	21	109.6995	0.867	23	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.4760	0.000	1	109.6288	0.265	61	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	110.2230	0.000	1	109.6288	0.265	61	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.6160	0.000	1	109.6288	0.265	61	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.6214	0.522	58	109.6288	0.265	61	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.8950	0.000	1	108.8950	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.9425	1.025	2	109.0627	0.568	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.3030	0.000	1	109.0627	0.568	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	110.1060	0.000	1	109.8975	0.087	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.6890	0.000	1	109.8975	0.087	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.3900	0.083	2	109.3501	0.471	17	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]2O)	109.8130	0.000	1	109.3501	0.471	17	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.4255	0.761	11	109.3501	0.471	17	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.3260	0.000	1	109.3501	0.471	17	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.6760	0.747	2	109.3501	0.471	17	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.7170	0.000	1	109.0067	0.523	11	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.1697	0.664	9	109.0067	0.523	11	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	107.8300	0.000	1	109.0067	0.523	11	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(OC[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC[6])(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.7555	0.420	4	109.7555	0.177	4	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.5607	0.155	3	109.1319	1.516	207	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.8780	0.000	1	109.1319	1.516	207	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|F<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.7990	0.000	1	109.1319	1.516	207	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.7456	1.703	5	109.1319	1.516	207	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.1952	1.033	9	109.1319	1.516	207	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]2O)	109.2609	0.543	10	109.1319	1.516	207	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.1269	1.278	176	109.1319	1.516	207	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<3>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,1|S<3>,2|H<1>}	H(C[6]C[6]2O)	109.7525	0.112	2	109.1319	1.516	207	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2O)	109.4750	0.000	1	109.4750	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OS)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	112.8545	1.959	2	112.8545	3.839	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.9720	0.000	1	109.9720	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.1520	0.000	1	109.1520	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H)	C[6](C[6]C[6]HO)2(OSi)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OSi)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]2O)	109.8990	0.000	1	109.7680	0.146	5	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H)	C[6](C[6]C[6]HO)2(OSi)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OSi)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.7353	0.433	4	109.7680	0.146	5	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.8470	0.000	1	109.7860	0.224	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2O)	109.7555	0.665	2	109.7860	0.224	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.5478	0.771	17	108.5478	0.595	17	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]FF)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]FF)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,1|O<2>,3|F<1>}	H(C[6]C[6]2O)	110.0850	0.000	1	110.0850	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.5690	0.000	1	109.8123	0.356	4	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,1|O<2>,3|F<1>}	H(C[6]C[6]2O)	110.7030	0.000	1	109.8123	0.356	4	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|O<2>,2|F<1>,2|H<1>}	H(C[6]C[6]2O)	109.4885	0.071	2	109.8123	0.356	4	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|F<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	105.9570	0.000	1	105.9570	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[5,6]OO)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,2|O<2>}	C[6](C[6]C[5,6]OO)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	110.0260	0.000	1	110.0260	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	113.7920	0.000	1	113.7920	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	110.2010	0.000	1	110.1458	0.531	17	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	110.7950	0.000	1	110.1458	0.531	17	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|N<2>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.8960	0.305	2	110.1458	0.531	17	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	110.2527	0.619	6	110.1458	0.531	17	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){2|O<2>,3|H<1>}	H(C[6]C[6]2O)	110.0250	0.980	7	110.1458	0.531	17	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){2|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.9980	0.000	1	109.9980	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC[6])(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){2|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.5060	0.146	2	109.5060	0.021	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.8760	0.000	1	108.8760	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H){2|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.7690	0.267	2	108.7690	0.071	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.2890	0.000	1	109.1522	0.258	6	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.3248	0.315	5	109.1522	0.258	6	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.4260	0.000	1	108.4260	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.6555	0.634	2	109.2398	0.616	29	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.2462	0.905	17	109.2398	0.616	29	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.1720	0.000	1	109.2398	0.616	29	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|O<2>,1|S<2>,3|H<1>}	H(C[6]C[6]2O)	109.6800	0.000	1	109.2398	0.616	29	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){2|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.3259	0.632	8	109.2398	0.616	29	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HI)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HI)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|I<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.6470	0.000	2	108.6470	0.000	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.2450	0.272	2	110.2725	0.745	32	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.5265	0.693	11	110.2725	0.745	32	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.1702	1.158	11	110.2725	0.745	32	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|N<2>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.9970	0.765	2	110.2725	0.745	32	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	110.0957	0.784	6	110.2725	0.745	32	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.1280	1.036	7	109.1970	0.957	8	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.6800	0.000	1	109.1970	0.957	8	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2O)	108.3640	0.000	1	108.3640	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|Cl<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.4790	0.601	3	109.4790	0.361	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.4518	0.691	4	109.4518	0.478	4	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.3120	0.000	1	108.3120	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){2|H<1>,2|O<2>}	H(C[6]C[6]2O)	107.7470	0.000	1	109.6694	1.173	118	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	110.1844	1.072	5	109.6694	1.173	118	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.6333	1.084	106	109.6694	1.173	118	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){2|O<2>,3|H<1>}	H(C[6]C[6]2O)	110.1992	0.700	6	109.6694	1.173	118	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC[6])(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	110.4870	0.481	2	110.4870	0.231	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	110.3035	0.332	4	110.3035	0.110	4	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H)	C[6](C[6]C[6]HO)2(OC[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC[6])(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.2490	0.000	1	109.2490	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	110.4090	0.000	1	109.6954	1.056	7	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.5765	1.071	6	109.6954	1.056	7	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|Br<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.5410	0.000	1	108.5410	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){2|O<2>,3|H<1>}	H(C[6]C[6]2O)	107.1190	0.000	1	107.1190	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|Cl<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.5720	0.973	3	108.5720	0.947	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,2|F<1>}	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.7990	0.000	1	109.7990	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|F<1>,1|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.1560	0.000	1	109.1560	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.1890	1.070	3	109.1890	1.144	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	110.0840	0.000	1	109.1327	1.126	7	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.9663	1.339	4	109.1327	1.126	7	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2O)	109.3920	0.000	1	109.1327	1.126	7	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){2|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.5880	0.000	1	109.1327	1.126	7	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OC[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC[6])(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.0470	0.857	2	109.0470	0.734	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.8448	1.297	5	108.7438	1.657	250	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.7424	1.313	234	108.7438	1.657	250	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){2|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.7272	0.639	11	108.7438	1.657	250	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OS)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	110.5440	0.000	1	110.5440	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OSi)(H)	C[6](C[6]C[6]HO)2(OSi)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OSi)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.1230	0.335	4	109.1230	0.112	4	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HP)(OS)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OSi)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HP)(OS)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OSi)(H){1|C<3>,1|H<1>,1|O<2>,1|P<4>}	H(C[6]C[6]2O)	109.8530	0.000	1	109.8530	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]2O)	109.9287	1.248	26	109.9265	1.450	28	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	H(C[6]C[6]2O)	109.8970	0.416	2	109.9265	1.450	28	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]2O)	109.1425	0.172	2	109.0948	0.478	13	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]2O)	108.9924	0.725	10	109.0948	0.478	13	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|O<2>,1|S<2>,3|H<1>}	H(C[6]C[6]2O)	110.0240	0.000	1	109.0948	0.478	13	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OSi)(H)	C[6](C[6]C[6]HO)2(OSi)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OSi)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]2O)	110.4230	0.000	1	110.4230	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]P[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]P[6]HO)(OC)(H){1|B<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|H<1>,1|O<2>,1|P<4>}	H(C[6]C[6]2O)	109.1850	0.000	1	109.4083	0.139	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]P[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]P[6]HO)(OC)(H){1|B<4>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|H<1>,1|O<2>,1|P<4>}	H(C[6]C[6]2O)	109.5200	0.451	2	109.4083	0.139	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]S[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]S[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2O)	109.1515	1.169	2	109.1515	1.366	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]S[6]HH)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]S[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2O)	107.7510	0.462	2	107.7510	0.214	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.8745	1.175	2	108.4110	1.334	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	107.4840	0.000	1	108.4110	1.334	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.7780	0.000	1	109.7780	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.9433	0.284	3	109.0286	0.147	5	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.1565	0.612	2	109.0286	0.147	5	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2O)	111.0510	0.000	1	110.1903	0.583	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.5950	0.000	1	110.1903	0.583	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.9250	0.000	1	110.1903	0.583	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2O)	110.2390	0.000	1	110.2390	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	110.7750	1.519	2	109.9257	1.814	4	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.0765	0.500	2	109.9257	1.814	4	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	111.1030	0.037	2	111.1030	0.001	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OSi)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	H(C[6]C[6]2O)	109.6950	0.000	1	109.6950	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OC)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2O)	110.7190	0.000	1	110.7190	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	H(C[6]C[6]2O)	109.7330	0.000	1	109.7330	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CC)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CC)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	110.1990	0.000	1	110.1990	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.8570	0.018	2	109.5799	0.614	186	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.9770	0.000	1	109.5799	0.614	186	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.2905	0.052	2	109.5799	0.614	186	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|I<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.6110	0.000	2	109.5799	0.614	186	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.2585	0.896	2	109.5799	0.614	186	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.5710	0.000	1	109.5799	0.614	186	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	110.1320	0.328	4	109.5799	0.614	186	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.2805	0.701	11	109.5799	0.614	186	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.6920	0.702	29	109.5799	0.614	186	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.7556	0.656	26	109.5799	0.614	186	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.9490	0.836	2	109.5799	0.614	186	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.5798	0.833	79	109.5799	0.614	186	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.6850	0.461	2	109.5799	0.614	186	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|Ir<6>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	107.5795	1.795	2	109.5799	0.614	186	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.4202	0.645	18	109.5799	0.614	186	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|Pd<4>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	110.4535	0.373	2	109.5799	0.614	186	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|Se<2>,1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.2520	0.000	1	109.5799	0.614	186	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.2620	0.000	1	109.5428	0.583	22	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	110.5590	0.000	1	109.5428	0.583	22	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.5061	0.764	20	109.5428	0.583	22	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.4710	0.000	1	109.6792	0.155	11	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.7340	0.418	9	109.6792	0.155	11	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.3940	0.000	1	109.6792	0.155	11	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OS)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	110.8815	0.477	2	110.8815	0.228	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.2860	0.000	1	109.2860	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.8260	0.000	1	109.7217	0.123	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.6695	0.480	2	109.7217	0.123	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]FF)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,1|O<2>,3|F<1>}	C[6](C[6]C[6]HO)(C[6]O[6]FF)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.8100	0.000	1	109.8100	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	110.5490	0.000	1	110.5983	0.362	4	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,1|O<2>,3|F<1>}	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.7670	0.000	1	110.5983	0.362	4	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|O<2>,2|F<1>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	111.0385	0.062	2	110.5983	0.362	4	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.4690	0.000	1	109.7357	0.315	17	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.5970	0.000	1	109.7357	0.315	17	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|N<2>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.8750	1.467	2	109.7357	0.315	17	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.8763	0.646	6	109.7357	0.315	17	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){2|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.6333	0.282	7	109.7357	0.315	17	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HI)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|I<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HI)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.6410	0.000	2	109.6410	0.000	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	110.8245	1.227	2	109.6359	0.866	31	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.4765	0.664	11	109.6359	0.866	31	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.5245	1.166	11	109.6359	0.866	31	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|N<2>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.8050	0.000	1	109.6359	0.866	31	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.8748	0.661	6	109.6359	0.866	31	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	110.1906	0.728	5	109.6801	0.648	118	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.6647	0.818	106	109.6801	0.648	118	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.5410	0.000	1	109.6801	0.648	118	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){2|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.7152	0.420	6	109.6801	0.648	118	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.4590	0.000	1	109.6439	0.144	7	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.4657	0.308	4	109.6439	0.144	7	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	110.1790	0.000	1	109.6439	0.144	7	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){2|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	110.0060	0.000	1	109.6439	0.144	7	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OS)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.8400	0.000	1	108.8400	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.7137	0.623	26	109.7408	0.405	28	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	110.0930	0.989	2	109.7408	0.405	28	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.9897	0.233	3	109.5714	0.460	74	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.6880	0.351	2	109.5714	0.460	74	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.0450	1.601	2	109.5714	0.460	74	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.5800	0.000	1	109.5714	0.460	74	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.6870	0.000	1	109.5714	0.460	74	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.6020	0.000	1	109.5714	0.460	74	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.9750	0.000	1	109.5714	0.460	74	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.9715	0.087	2	109.5714	0.460	74	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.9080	0.000	1	109.5714	0.460	74	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.6621	0.509	56	109.5714	0.460	74	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.1957	0.936	3	109.5714	0.460	74	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	107.4880	0.000	1	109.5714	0.460	74	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<2>,1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.2295	0.569	2	109.3403	0.368	13	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2O)	109.0110	0.823	2	109.3403	0.368	13	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.8200	0.000	1	109.3403	0.368	13	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.3443	0.684	7	109.3403	0.368	13	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.7130	0.000	1	109.3403	0.368	13	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)2(OP)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OP)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.3204	0.549	5	109.3204	0.302	5	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)2(OS)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OS)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.4368	0.534	4	109.4368	0.285	4	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2O)	109.5740	0.000	1	109.5740	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2O)	108.2885	0.046	2	108.2885	0.002	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2O)	109.5829	0.669	9	109.5829	0.447	9	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[6]C[6]2O)	109.9156	0.461	5	109.4890	0.406	9	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.0025	0.128	2	109.4890	0.406	9	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2O)	108.9090	0.573	2	109.4890	0.406	9	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]O[6]IrH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|Ir<6>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]O[6]IrH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	107.6135	1.807	2	107.6135	3.264	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]O[6]PdH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|Pd<4>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]O[6]PdH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.9425	0.210	2	109.9425	0.044	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]O[6]SeH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|Se<2>,1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]O[6]SeH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.1730	0.000	1	109.1730	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC[6])(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.2490	0.000	1	108.2490	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC[6])(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.8073	0.604	4	108.8073	0.364	4	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC[6])(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.4615	0.342	2	108.4615	0.117	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC[6])(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.0890	0.000	1	108.0890	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC[6])(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.1465	0.556	2	109.1465	0.310	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC[6])(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.3550	0.000	1	108.3550	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.0430	0.000	1	108.0430	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.0440	0.000	1	109.0440	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.0623	0.614	4	109.1650	0.336	5	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2O)	109.5760	0.000	1	109.1650	0.336	5	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.0273	0.696	4	109.0273	0.484	4	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.0540	0.491	2	109.2941	0.284	8	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.3320	0.621	5	109.2941	0.284	8	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2O)	109.5850	0.000	1	109.2941	0.284	8	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<2>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC[6])(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.5042	0.207	4	108.5042	0.043	4	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<2>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.5735	0.243	4	107.9068	0.753	12	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.7540	0.000	1	107.9068	0.753	12	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|N<4>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	107.2973	0.819	6	107.9068	0.753	12	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.0500	0.000	1	107.9068	0.753	12	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	108.3143	0.941	3	108.3143	0.886	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	107.8450	0.000	1	108.4297	1.133	4	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	109.4370	0.000	1	108.4297	1.133	4	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.2185	1.398	2	108.4297	1.133	4	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.4170	0.000	1	109.4616	0.256	7	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	109.6208	0.622	4	109.4616	0.256	7	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.1655	0.312	2	109.4616	0.256	7	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	107.9753	0.844	6	108.0930	0.532	9	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.3660	0.000	1	108.0930	0.532	9	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.3095	0.667	2	108.0930	0.532	9	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.1910	0.000	1	109.0518	0.432	63	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.9160	0.000	1	109.0518	0.432	63	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2O)	108.0820	0.000	1	109.0518	0.432	63	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.0679	0.661	60	109.0518	0.432	63	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.4620	0.000	1	108.5366	0.995	210	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|F<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	110.7170	0.000	1	108.5366	0.995	210	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	107.8140	2.818	5	108.5366	0.995	210	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.9956	0.308	9	108.5366	0.995	210	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.5448	0.797	10	108.5366	0.995	210	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,1|S<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<3>}	H(C[6]C[6]2O)	109.2120	0.013	2	108.5366	0.995	210	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2O)	107.8160	1.136	3	108.5366	0.995	210	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.5260	0.934	179	108.5366	0.995	210	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.7601	0.693	17	108.7601	0.480	17	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|F<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	104.5780	0.000	1	104.5780	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){2|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.2810	0.000	1	109.2810	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){2|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.0555	0.486	2	109.0555	0.236	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.6535	0.428	2	108.6643	0.499	29	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.8696	0.541	17	108.6643	0.499	29	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.7990	0.000	1	108.6643	0.499	29	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|O<2>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	106.8170	0.000	1	108.6643	0.499	29	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){2|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.4449	0.807	8	108.6643	0.499	29	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.6617	0.697	7	108.6715	0.417	8	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.7400	0.000	1	108.6715	0.417	8	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	107.5310	0.000	1	108.5831	0.335	7	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.7585	0.378	6	108.5831	0.335	7	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.7646	1.972	5	108.6399	1.498	249	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.6350	1.228	233	108.6399	1.498	249	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){2|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.6853	0.789	11	108.6399	1.498	249	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.3650	0.126	2	108.3671	0.733	13	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.5212	0.829	10	108.3671	0.733	13	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|O<2>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	106.8300	0.000	1	108.3671	0.733	13	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]S[6]CH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]S[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.6260	0.533	2	108.6260	0.284	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]S[6]HH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]S[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.6425	0.556	2	108.6425	0.310	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<2>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.1100	0.522	2	108.7815	0.847	13	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2O)	110.5630	0.000	1	108.7815	0.847	13	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.8910	0.000	1	108.7815	0.847	13	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.8091	0.954	7	108.7815	0.847	13	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.4110	0.238	2	108.7815	0.847	13	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.3890	0.000	1	108.8449	0.746	108	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2O)	107.5690	0.000	1	108.8449	0.746	108	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.4320	0.000	1	108.8449	0.746	108	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|H<1>,1|I<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.6845	0.578	2	108.8449	0.746	108	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.0750	0.000	1	108.8449	0.746	108	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|H<1>,1|I<1>,1|O<2>}	H(C[6]C[6]2O)	109.2580	0.410	2	108.8449	0.746	108	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.1580	0.438	2	108.8449	0.746	108	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2O)	109.6717	1.852	6	108.8449	0.746	108	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.0207	0.718	4	108.8449	0.746	108	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.2483	0.630	6	108.8449	0.746	108	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.6060	0.000	1	108.8449	0.746	108	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.0675	0.465	2	108.8449	0.746	108	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.9467	0.020	3	108.8449	0.746	108	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	107.4000	0.000	1	108.8449	0.746	108	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.7277	0.793	66	108.8449	0.746	108	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2O)	109.5350	0.053	4	108.8449	0.746	108	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.4610	0.000	1	108.8449	0.746	108	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.0910	0.553	4	108.8449	0.746	108	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OP)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OP)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.3640	0.000	1	109.3640	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OS)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OS)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.9875	0.316	2	108.9875	0.100	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2O)	108.5260	0.000	1	108.4357	0.012	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2O)	108.3905	0.108	2	108.4357	0.012	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2O)	109.0690	0.000	1	109.0690	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]N[5a]O[6]C)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|N<3>}	C[6](C[6]N[5a]O[6]C)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2O)	109.2180	0.000	1	109.2180	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|N<3>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2O)	109.1930	0.000	1	108.1840	0.751	8	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[6]C[6]2O)	108.0399	0.826	7	108.1840	0.751	8	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OP)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OP)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.8318	0.310	5	109.8318	0.096	5	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OP)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OP)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.5800	0.000	1	109.5800	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OP)(H)	C[6](C[6]C[6]HO)2(OP)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OP)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OP)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	110.1005	0.282	2	110.1005	0.080	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OS)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OS)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	110.6058	0.238	4	110.6058	0.057	4	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OS)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OS)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.9990	0.004	2	109.9990	0.000	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OSi)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OSi)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.5660	0.000	1	109.3066	0.221	5	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OSi)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OSi)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.4917	0.258	4	109.3066	0.221	5	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OSi)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OSi)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OSi)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.5298	0.315	4	109.5298	0.099	4	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OSi)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OSi)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OSi)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.6140	0.000	1	108.6140	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2O)	109.3602	0.590	4	109.3602	0.348	4	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2O)	109.7310	0.000	1	109.7310	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.8420	0.000	1	109.8420	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(OH)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2O)	109.1310	0.000	1	109.1310	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.9635	0.172	2	109.9635	0.030	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.3980	0.000	1	109.3980	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.5100	0.000	1	109.0453	1.626	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]2O)	108.3130	0.182	2	109.0453	1.626	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[5,6]CH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]N[5,6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.4100	0.000	1	109.4100	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	109.2490	0.000	1	109.2490	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[5,6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]N[5,6]HN)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2O)	109.0320	0.000	1	109.0320	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.1869	0.588	9	110.1869	0.346	9	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	107.8710	0.000	1	107.8710	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[5a,6]CH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]N[5a,6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2O)	109.1515	0.279	2	109.1515	0.078	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[5a]O[6]C)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]N[5a]O[6]C)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|N<3>}	H(C[6]C[6]2O)	108.6600	0.000	1	108.6600	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.5702	0.320	5	110.1530	0.309	9	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.5735	0.180	2	110.1530	0.309	9	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.6895	0.240	2	110.1530	0.309	9	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.3217	0.864	7	109.3255	0.640	8	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|N<3>}	H(C[6]C[6]2O)	109.3520	0.000	1	109.3255	0.640	8	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.8857	0.162	3	109.8857	0.026	3	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	108.4300	0.000	1	108.4300	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	108.9390	0.093	2	109.2185	0.114	4	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	109.4980	0.140	2	109.2185	0.114	4	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]O[6]IrH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]IrH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|Ir<6>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.4695	1.358	2	110.4695	1.845	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]O[6]PdH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]PdH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|Pd<4>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.1020	0.247	2	110.1020	0.061	2	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]O[6]SeH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]SeH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|Se<2>,1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.4480	0.000	1	109.4480	0.000	1	109.1805	1.212	3269	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]OO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(OH)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(O){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2O)	107.9330	0.000	1	107.9330	0.000	1	107.9330	0.000	1	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]O[6]CO)(OH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]O[6]H)(C[6]O[6]CO)(OH)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]HO)(O[6]C[6])(H){2|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6]2O)	110.3270	0.000	1	110.3270	0.000	1	109.7857	1.088	3	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]O[6]H)(C[6]O[6]HH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2O)	110.4470	0.000	1	110.4470	0.000	1	109.7857	1.088	3	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]O[6]H)(C[6]O[6]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2O)	108.5830	0.000	1	108.5830	0.000	1	109.7857	1.088	3	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(OC)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(SC[6a])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(OC)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(SC[6a])(H){2|C<3>,2|H<1>}	H(C[6]C[6]2O)	113.1150	0.000	1	113.1150	0.000	1	109.2443	1.745	12	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(OH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(SC[6a])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(SC[6a])(H){2|C<3>,2|H<1>}	H(C[6]C[6]2O)	108.4875	0.948	2	108.4875	0.899	2	109.2443	1.745	12	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OC)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2O)	109.6150	0.000	1	109.6150	0.000	1	109.2443	1.745	12	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.1870	0.178	4	109.1870	0.032	4	109.2443	1.745	12	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(SC[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(SC[6])(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.4130	0.430	2	108.4130	0.185	2	109.2443	1.745	12	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HS)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(SC[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HS)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(SC[6])(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.8260	0.062	2	108.8260	0.004	2	109.2443	1.745	12	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Se-2:H-1:	C[6]-4:	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SeC[6a])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SeC[6a])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.9100	0.000	1	108.9100	0.000	1	108.9265	0.001	2	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Se-2:H-1:	C[6]-4:	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(SeC[6a])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(OH)(H){1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(SeC[6a])(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.9430	0.000	1	108.9430	0.000	1	108.9265	0.001	2	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:P[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]P[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(P[6]O[6]BO)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]P[6]HO)(OC)(H){1|B<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(P[6]O[6]BO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.2110	0.000	1	109.2110	0.000	1	109.4327	0.170	3	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:P[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]P[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(P[6]O[6]BO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]P[6]HO)(OC)(H){1|B<4>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(P[6]O[6]BO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.5435	0.517	2	109.5435	0.267	2	109.4327	0.170	3	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H)	C[6](C[6]C[6]HO)(SC[6a]OO)(O[6]C[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(SC[6a]OO)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.2940	0.000	1	110.2940	0.000	1	110.2940	0.000	1	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6]C[6]O[6]H)(C[6]O[6]CO)(OH)(H)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]2H)(C[6]C[6]HO)(O[6]C[6])(H){2|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]O[6]CO)(OH)(H){1|H<1>,3|C<4>}	H(C[6]C[6]2O[6])	112.0140	0.000	1	112.0140	0.000	1	109.3973	5.219	3	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6]C[6]O[6]H)(C[6]O[6]HH)(OC)(H)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]O[6]HH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O[6])	107.7990	0.000	1	107.7990	0.000	1	109.3973	5.219	3	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6]C[6]O[6]H)(C[6]O[6]HH)(OH)(H)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]O[6]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O[6])	108.3790	0.000	1	108.3790	0.000	1	109.3973	5.219	3	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2O[6])	108.3840	0.000	1	108.3840	0.000	1	108.3110	0.203	3	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H){1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]2O[6])	107.8280	0.000	1	107.8280	0.000	1	108.3110	0.203	3	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H){1|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2O[6])	108.7210	0.000	1	108.7210	0.000	1	108.3110	0.203	3	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(SS)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HS)(OH)(H)	H(C[6]C[6]2S)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(SS)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HS)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2S)	106.8615	0.110	2	106.8615	0.012	2	106.8615	0.012	2	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(SC[6a])(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(OC)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(SC[6a])(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(OC)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2S)	112.0060	0.000	1	112.0060	0.000	1	108.7195	2.906	13	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(SC[6a])(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(OH)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(SC[6a])(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(OH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2S)	109.3463	1.296	3	109.3463	1.679	3	108.7195	2.906	13	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OC)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OC)(H){1|C<3>,4|H<1>}	H(C[6]C[6]2S)	105.1000	0.000	1	105.1000	0.000	1	108.7195	2.906	13	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OC)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2S)	107.9585	1.079	4	107.9585	1.163	4	108.7195	2.906	13	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(SC[6])(H)	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6]HO)2(SC[6])(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2S)	109.1215	0.158	2	109.1215	0.025	2	108.7195	2.906	13	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(SC[6])(H)	C[6](C[6]C[6]HS)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6]HO)2(SC[6])(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HS)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2S)	109.0660	0.208	2	109.0660	0.043	2	108.7195	2.906	13	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:Se-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(SeC[6a])(H)	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2Se)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(SeC[6a])(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(OH)(H){1|Cl<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2Se)	108.2790	0.000	1	108.2790	0.000	1	108.5455	0.142	2	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:Se-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SeC[6a])(H)	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2Se)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SeC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2Se)	108.8120	0.000	1	108.8120	0.000	1	108.5455	0.142	2	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:P[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(P[6]O[6]BO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]P[6]HO)(OC)(H)	H(C[6]C[6]P[6]O)	C[6](C[6]C[6]HO)(P[6]O[6]BO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]P[6]HO)(OC)(H){1|B<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]P[6]O)	109.3130	0.000	1	109.3130	0.000	1	109.1503	0.049	3	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:P[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(P[6]O[6]BO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]P[6]HO)(OC)(H)	H(C[6]C[6]P[6]O)	C[6](C[6]C[6]HO)(P[6]O[6]BO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]P[6]HO)(OC)(H){1|B<4>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]P[6]O)	109.0690	0.243	2	109.0690	0.059	2	109.1503	0.049	3	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:S-4:O[6]-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(SC[6a]OO)(O[6]C[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]HO)(SC[6a]OO)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]S)	109.1150	0.000	1	109.1150	0.000	1	109.1150	0.000	1	109.1062	1.597	4368	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[6]-2:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O[6]O)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6,6]HO)(O[6]C[6])(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O[6]O)(OH)(H){1|H<1>,4|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6,6]HO)(O[6]C[6])(OH){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	107.5360	0.000	1	107.5360	0.000	1	107.5360	0.000	1	108.3761	1.174	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CC)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CO)(OH)(H){1|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CC)(OH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]O)	109.6855	0.006	2	109.6855	0.000	2	109.6855	0.000	2	108.3761	1.174	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]OO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OC)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]OO)(OH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OC)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	106.9170	0.000	1	106.9170	0.000	1	106.9170	0.000	1	108.3761	1.174	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-4:O[6]-2:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CN)(NN)(H)	C[6](C[6]C[6]HN)(CC[6a]2O)(O[6]C[6])(NN)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]O[6]CN)(NN)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(CC[6a]2O)(O[6]C[6])(NN){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.7890	0.000	1	108.7890	0.000	1	108.7890	0.000	1	108.3761	1.174	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6]C[5,6]OO)(C[6]C[6]HO)(OC)(H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HO)(OC)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]OO)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HO)(OC)(OH){2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.7620	0.000	1	108.7620	0.000	1	108.7620	0.000	1	108.3761	1.174	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CC)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CC)(OH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	106.8380	0.000	1	106.8380	0.000	1	107.3962	0.174	4	108.3761	1.174	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	107.5823	0.232	3	107.5823	0.054	3	107.3962	0.174	4	108.3761	1.174	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6]C[6]Br2)(C[6]C[6]OO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)2	H(C[6]C[6]2O)	C[6](C[6]C[6]Br2)(C[6]C[6]OO)(OC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)2{4|Br<1>,1|C<3>}	H(C[6]C[6]2O)	108.6205	1.879	2	108.6205	3.530	2	108.6205	3.530	2	108.3761	1.174	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]OO)(O[6]C[6])(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]FF)(OH)2	H(C[6]C[6]2O[6])	C[6](C[6]C[6]2H)(C[6]C[6]OO)(O[6]C[6])(H){1|C<3>,2|C<4>,2|F<1>,6|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]FF)(OH)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2O[6])	109.2335	0.098	2	109.2335	0.010	2	109.2335	0.010	2	108.3761	1.174	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(SC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CN)(OC)	H(C[6]C[6]2S)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(SC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CN)(OC){1|C<4>,4|H<1>}	H(C[6]C[6]2S)	108.9730	0.000	1	108.9730	0.000	1	108.9730	0.000	1	108.3761	1.174	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(OSi)(H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HO)(OC[6])(CCHH)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(OSi)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HO)(OC[6])(CCHH){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.4940	0.561	2	108.4940	0.315	2	108.4940	0.315	2	108.2733	0.137	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6]C[6]O[6]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6,6])(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]O[6]C)(C[6]C[6,6]HH)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6,6])(CH3){4|H<1>,5|C<4>}	H(C[6]C[6]2O)	108.3985	0.035	2	108.3985	0.001	2	108.3985	0.001	2	108.2733	0.137	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:2:4:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6,6])(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6,6])(CH3)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6,6])(H){1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6,6])(CH3){4|H<1>,5|C<4>}	H(C[6]C[6]2O[6])	107.9275	0.012	2	107.9275	0.000	2	107.9275	0.000	2	108.2733	0.137	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[3,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[3,6,6]HO)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[3,6,6]C[6]O)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]CH)(OH)(H){2|H<1>,5|C<4>}	C[6](C[6]C[3,6,6]HO)(C[6]C[6]HH)(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3,6,6]C[6]O)	108.5460	0.000	1	108.5460	0.000	1	108.5460	0.000	1	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]N[5]H)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(N[5]C[5]2)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]N[5]H)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>,2|O<2>}	H(C[6]C[3,6]C[6]O)	108.3220	0.000	1	108.3220	0.000	1	108.3220	0.000	1	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6]HH)(CCO)(H)	H(C[6]C[5,3x6]C[6]O)	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]CH)(OH)(H){1|O<1>,3|C<4>,3|H<1>,3|O<2>}	C[6](C[6]C[5,3x6]HO)(C[6]C[6]HH)(CCO)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,3x6]C[6]O)	106.1820	1.030	2	106.1820	1.060	2	106.0720	0.609	4	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6]HH)(COO)(H)	H(C[6]C[5,3x6]C[6]O)	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]CH)(OH)(H){1|O<1>,3|C<4>,3|H<1>,3|O<2>}	C[6](C[6]C[5,3x6]HO)(C[6]C[6]HH)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,3x6]C[6]O)	105.9620	0.849	2	105.9620	0.720	2	106.0720	0.609	4	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CN)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CN)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCH)(H){2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]C)	108.1910	0.000	1	108.1910	0.000	1	108.1910	0.000	1	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OSi)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OSi)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]O)	109.7750	0.000	1	109.7750	0.000	1	109.7750	0.000	1	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]2H)(O[6]C[5,6])(H)	C[6](C[6]C[5,6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]O[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]2H)(O[6]C[5,6])(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	H(C[6]C[5,6]C[6]O[6])	110.0225	0.433	2	110.0225	0.188	2	110.0225	0.188	2	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:N-3:Br-1:	C[6]-4:	C[6](C[5]C[5]O[5]H)(C[6]C[6]BrN)(O[6]C[6,6a])(H)	C[6](C[6]C[5]O[6]H)(C[6]C[6,6a]HO)(NOO)(Br)	H(C[6]C[5]C[6]O[6])	C[6](C[5]C[5]O[5]H)(C[6]C[6]BrN)(O[6]C[6,6a])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5]O[6]H)(C[6]C[6,6a]HO)(NOO)(Br){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5]C[6]O[6])	109.3200	0.000	1	109.3200	0.000	1	109.3200	0.000	1	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[5]N[5,5]C[5]C)(C[6]C[6]HN)(O[6]C[6])(H)	C[6](C[6]C[5]O[6]H)(C[6]C[6]HO)(NOO)(H)	H(C[6]C[5]C[6]O[6])	C[6](C[5]N[5,5]C[5]C)(C[6]C[6]HN)(O[6]C[6])(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5]O[6]H)(C[6]C[6]HO)(NOO)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[5]C[6]O[6])	107.3975	0.016	2	107.3975	0.000	2	107.3975	0.000	2	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCC)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	110.3590	0.000	1	110.3590	0.000	1	109.5185	3.760	4	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CCC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CCC)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	110.5670	0.000	1	110.5670	0.000	1	109.5185	3.760	4	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	106.6130	0.000	1	106.6130	0.000	1	109.5185	3.760	4	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OS)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OS)(H){3|H<1>,5|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCC)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	110.5350	0.000	1	110.5350	0.000	1	109.5185	3.760	4	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]Br)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(NCH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]Br)(C[6]C[6]HN)(OH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(NCH)(H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]O)	109.5790	0.000	1	109.5790	0.000	1	109.8086	0.622	11	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(NOO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(OH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(NOO)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]O)	109.4100	0.000	1	109.4100	0.000	1	109.8086	0.622	11	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(NCH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]O)	110.4920	0.000	1	110.4920	0.000	1	109.8086	0.622	11	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NCH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]O)	110.0810	0.000	1	110.0810	0.000	1	109.8086	0.622	11	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6,6]C[5a]H)(C[6]C[6,6]HO)(NOO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]C[5a]H)(C[6]C[6,6]HO)(NOO)(H){2|C<3>,2|H<1>,3|O<2>}	H(C[6]C[6,6]C[6]O)	108.0660	0.000	1	108.0660	0.000	1	109.8086	0.622	11	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NCC)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NCC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]O)	109.6743	0.516	3	109.6743	0.266	3	109.8086	0.622	11	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NHH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NHH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]O)	109.8020	0.000	1	109.8020	0.000	1	109.8086	0.622	11	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OP)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NHS)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OP)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NHS)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]O)	110.7210	0.423	2	110.7210	0.179	2	109.8086	0.622	11	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N[5]H)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N[5]H)(OH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	H(C[6]C[6,6]C[6]O)	109.9120	0.000	1	109.9120	0.000	1	109.6540	0.133	2	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N[5]H)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(N[5]C[5]2)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N[5]H)(OH)(H){1|O<2>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(N[5]C[5]2)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	H(C[6]C[6,6]C[6]O)	109.3960	0.000	1	109.3960	0.000	1	109.6540	0.133	2	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OCu2)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OCu2)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]O)	117.9190	0.000	1	110.4673	7.510	10	110.4673	7.510	10	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OCu2)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OCu2)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]O)	109.6393	0.858	9	110.4673	7.510	10	110.4673	7.510	10	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(CC[6a]CH)(O[6]C[6])(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(CNO)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(CC[6a]CH)(O[6]C[6])(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(CNO)(H){1|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	107.1640	0.000	1	107.1640	0.000	1	107.4935	0.217	2	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6])(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCO)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCO)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	107.8230	0.000	1	107.8230	0.000	1	107.4935	0.217	2	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NN)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NHS)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NHS)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	110.3300	0.000	1	110.3300	0.000	1	110.3300	0.000	1	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	109.4385	1.084	2	109.4385	1.175	2	109.0785	0.330	13	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.9575	0.364	6	108.9575	0.133	6	109.0785	0.330	13	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	109.6650	0.143	2	109.6650	0.020	2	109.0785	0.330	13	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.9500	0.000	1	108.9500	0.000	1	109.0785	0.330	13	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHP)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.0530	0.000	1	108.0530	0.000	1	109.0785	0.330	13	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(NN)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HN)2(NN)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NCH)(H){1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2N)	109.0660	0.000	1	109.0660	0.000	1	109.0785	0.330	13	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]2N)	109.3090	0.389	2	109.5094	0.072	5	109.5094	0.072	5	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	H(C[6]C[6]2N)	109.6240	0.000	1	109.5094	0.072	5	109.5094	0.072	5	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2N)	109.6850	0.000	1	109.5094	0.072	5	109.5094	0.072	5	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H){1|Rh<6>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2N)	109.6200	0.000	1	109.5094	0.072	5	109.5094	0.072	5	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(OH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NCC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NCC)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2O)	107.5600	0.078	2	107.5600	0.006	2	107.3373	0.152	3	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(OH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NCH)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2O)	106.8920	0.000	1	106.8920	0.000	1	107.3373	0.152	3	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){3|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.0120	0.000	1	108.6665	0.857	2	108.5969	1.378	15	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){3|C<4>,5|H<1>}	H(C[6]C[6]2O)	109.3210	0.000	1	108.6665	0.857	2	108.5969	1.378	15	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){3|C<4>,4|H<1>}	H(C[6]C[6]2O)	105.8630	0.000	1	108.1640	2.359	4	108.5969	1.378	15	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){3|C<4>,5|H<1>}	H(C[6]C[6]2O)	108.9310	0.093	3	108.1640	2.359	4	108.5969	1.378	15	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){1|I<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.2450	0.000	1	109.4010	2.673	2	108.5969	1.378	15	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(OH)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){1|I<1>,3|C<4>,4|H<1>}	H(C[6]C[6]2O)	110.5570	0.000	1	109.4010	2.673	2	108.5969	1.378	15	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.0963	0.146	3	108.0963	0.021	3	108.5969	1.378	15	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.3960	0.000	1	110.3960	0.000	1	108.5969	1.378	15	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HO)(COO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HO)(COO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.6810	0.000	1	109.6810	0.000	1	108.5969	1.378	15	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2O)	107.8980	0.669	2	107.8980	0.447	2	108.5969	1.378	15	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	108.7380	0.011	2	109.0853	0.362	3	109.0418	0.249	4	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	109.7800	0.000	1	109.0853	0.362	3	109.0418	0.249	4	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OSi)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OSi)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	108.9110	0.000	1	108.9110	0.000	1	109.0418	0.249	4	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(N[5]C[5]2)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(N[5]C[5]2)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6]2O)	109.4190	0.000	1	109.4190	0.000	1	107.8967	1.843	4	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(N[5]C[5]2)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2O)	107.3893	1.105	3	107.3893	1.220	3	107.8967	1.843	4	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)2(OH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OPtH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)2(OH)(H){1|C<4>,1|O<2>,1|O<3>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OPtH)(H){1|C<4>,1|O<2>,1|O<3>,3|H<1>}	H(C[6]C[6]2O)	108.9350	0.000	1	108.9350	0.000	1	108.9270	0.000	2	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)2(OH)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OPtH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)2(OH)(H){1|C<4>,1|O<2>,1|O<3>,2|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OPtH)(H){1|H<1>,1|O<3>,2|C<4>}	H(C[6]C[6]2O)	108.9190	0.000	1	108.9190	0.000	1	108.9270	0.000	2	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(COO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(COO)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.0060	0.897	4	108.0060	0.804	4	108.6069	1.171	11	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(COO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(COO)(H){3|C<4>,5|H<1>}	H(C[6]C[6]2O)	108.2453	0.130	3	108.2453	0.017	3	108.6069	1.171	11	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]HO)(CCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]HO)(CCH)(H){1|O<2>,3|C<4>,7|H<1>}	H(C[6]C[6]2O)	107.7330	0.000	1	107.7330	0.000	1	108.6069	1.171	11	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(COO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(COO)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.8550	0.252	2	109.8550	0.063	2	108.6069	1.171	11	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(OC)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(OC)(H){3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CCH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2O)	110.4730	0.000	1	110.4730	0.000	1	108.6069	1.171	11	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(NOO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(NOO)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2O)	109.6590	0.000	1	109.6590	0.000	1	109.6590	0.000	1	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]N[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(N[6]C[6]2)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]N[6]H)(C[6]C[6]HH)(OH)(H){3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(N[6]C[6]2)(H){6|C<4>,8|H<1>}	H(C[6]C[6]2O)	109.2420	0.000	1	109.2420	0.000	1	109.2420	0.000	1	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:Cl-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]ClC)(OH)(H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HO)(COO)(Cl)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]ClC)(OH)(H){2|C<3>,3|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HO)(COO)(Cl){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	105.9180	0.000	1	105.9180	0.000	1	105.9180	0.000	1	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OC)(H){1|C<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2O)	109.0180	0.000	1	109.0180	0.000	1	108.9718	0.497	36	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]O)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]CH)(OH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.0890	0.020	2	109.0890	0.000	2	108.9718	0.497	36	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CCC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OC)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CCC)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	110.6110	0.000	1	110.6110	0.000	1	108.9718	0.497	36	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]C)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.8920	0.000	1	108.8920	0.000	1	108.9718	0.497	36	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CCH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	107.6270	0.000	1	107.6270	0.000	1	108.9718	0.497	36	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(COO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(COO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.3150	0.000	1	108.3150	0.000	1	108.9718	0.497	36	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.8250	0.000	1	108.8250	0.000	1	108.9718	0.497	36	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCC)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2O)	109.5745	0.063	2	108.9869	0.405	8	108.9718	0.497	36	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCC)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2O)	109.1600	0.109	3	108.9869	0.405	8	108.9718	0.497	36	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCC)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2O)	108.4220	0.731	3	108.9869	0.405	8	108.9718	0.497	36	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCH)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2O)	108.9120	0.371	2	108.9120	0.137	2	108.9718	0.497	36	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(COO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(COO)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.4390	0.000	1	109.4390	0.000	1	108.9718	0.497	36	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CCH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.5290	0.000	1	109.5290	0.000	1	108.9718	0.497	36	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HO)(CCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HO)(CCH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2O)	109.7420	0.033	2	109.7420	0.001	2	108.9718	0.497	36	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.9340	0.260	2	109.9340	0.068	2	108.9718	0.497	36	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.6640	0.000	1	108.6610	0.000	2	108.9718	0.497	36	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.6580	0.000	1	108.6610	0.000	2	108.9718	0.497	36	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H){1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2O)	108.5840	0.000	1	108.5840	0.000	1	108.9718	0.497	36	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.6580	0.000	1	108.6580	0.000	1	108.9718	0.497	36	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CNO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CNO)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.2745	0.037	2	109.2745	0.001	2	108.9718	0.497	36	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.3280	0.013	2	109.3280	0.000	2	108.9718	0.497	36	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(CCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OH)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	107.7460	0.000	1	107.7460	0.000	1	108.9718	0.497	36	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(OH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HO)(CCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OH)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HO)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2O)	107.7390	0.000	1	107.7390	0.000	1	108.9718	0.497	36	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OSi)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCO)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.5640	0.000	1	108.5640	0.000	1	108.9718	0.497	36	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(CCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(OH)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HO)2(CCH)(H){1|H<1>,3|C<3>}	H(C[6]C[6]2O)	107.6610	0.000	1	107.6610	0.000	1	108.9718	0.497	36	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(NCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(NCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	110.0775	0.462	2	110.0775	0.213	2	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(NCC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(NCC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.2310	0.000	1	108.2310	0.000	1	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HN)(OP)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HN)(OP)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NCH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2O)	109.2460	0.000	1	109.2460	0.000	1	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NCC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NCC)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2O)	110.4500	0.000	1	110.4500	0.000	1	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NC[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NC[6]H)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2O)	109.3610	0.000	1	109.3610	0.000	1	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6]2O)	108.9608	1.466	8	108.9608	2.148	8	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6]2O)	107.8820	0.000	1	107.8820	0.000	1	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.5345	0.197	4	109.5345	0.039	4	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.4010	0.000	1	109.4297	0.134	3	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.4440	0.516	2	109.4297	0.134	3	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6a]S)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6a]S)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.1300	0.000	1	109.1300	0.000	1	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.4620	0.000	1	109.4620	0.000	1	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(NHS)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(NHS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.4030	0.440	2	108.4030	0.193	2	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.3550	0.000	1	109.3550	0.000	1	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.5570	0.000	1	108.5570	0.000	1	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6a]H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6a]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	107.5863	1.047	3	107.5863	1.096	3	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NHS)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NHS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.4910	0.099	2	109.4910	0.010	2	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HO)2(NCC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(NCC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.1248	0.512	4	108.1248	0.262	4	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HO)2(NCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(NCH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	107.8005	0.023	2	107.8005	0.001	2	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(NOO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(NOO)(H){3|C<3>,4|H<1>}	H(C[6]C[6]2O)	109.6750	0.000	1	109.6750	0.000	1	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HI)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HI)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<4>,1|I<1>,3|H<1>}	H(C[6]C[6]2O)	109.9780	0.082	2	109.9780	0.007	2	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5]O[6]H)(C[6]C[6]HO)(NOO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5]O[6]H)(C[6]C[6]HO)(NOO)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	108.5975	0.262	2	108.5975	0.069	2	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	113.2520	0.000	1	113.2520	0.000	1	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(NCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(NCH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.7320	0.000	1	110.7320	0.000	1	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.1470	0.000	1	109.1470	0.000	1	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NHO)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	110.7260	0.000	1	110.7260	0.000	1	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.8030	0.399	8	109.8030	0.159	8	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NMoC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NMoC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.3180	0.000	1	109.3180	0.000	1	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.9050	0.000	1	109.9050	0.000	1	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(NCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(NCH)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.5640	0.000	1	109.5640	0.000	1	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(NCS)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(NCS)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.6140	0.000	1	109.6140	0.000	1	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.0020	0.658	6	109.0020	0.433	6	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(NHS)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(NHS)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	110.4450	2.827	2	110.4450	7.992	2	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.2470	0.000	1	109.2470	0.000	1	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.9235	0.555	2	108.9235	0.308	2	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.9160	0.382	10	108.9160	0.146	10	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NHS)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NHS)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.9140	0.000	1	109.9140	0.000	1	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	106.6480	0.000	1	106.6480	0.000	1	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(NCC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(NCC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.6480	0.945	4	108.6480	0.893	4	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(NCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(NCH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.1145	1.337	2	108.1145	1.788	2	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(NCS)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(NCS)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.1850	0.000	1	109.1850	0.000	1	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(NOO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(NOO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.5245	0.009	2	109.5245	0.000	2	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|N<4>,4|H<1>}	H(C[6]C[6]2O)	109.7970	0.000	1	109.7970	0.000	1	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]HO)2(NCC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)2(NCC)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2O)	110.7655	1.664	2	110.7655	2.768	2	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.8730	0.000	1	109.8730	0.000	1	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.3000	0.000	1	108.3000	0.000	1	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	110.1660	0.310	2	110.1660	0.096	2	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.4240	0.000	1	109.4240	0.000	1	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(NCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(NCH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.3125	0.046	2	109.3125	0.002	2	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	110.4640	0.000	1	110.4640	0.000	1	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.1267	0.186	3	109.1267	0.034	3	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(NCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(NCH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.4015	0.853	2	109.4015	0.728	2	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(NOO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)2(OC)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(NOO)(H){1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2O)	109.9890	0.000	1	109.9890	0.000	1	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)2(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H){1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2O)	109.9450	0.000	1	109.9450	0.000	1	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2O)	109.1170	0.000	1	109.1170	0.000	1	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(OH)(H)	C[6](C[6]C[6]HO)2(NCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)2(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(NCH)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.6100	0.000	1	109.6100	0.000	1	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(OH)(H)	C[6](C[6]C[6]HO)2(NHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(NHH)(H){1|C<4>,1|N<3>,1|N<4>,2|H<1>}	H(C[6]C[6]2O)	108.3140	0.559	8	107.9879	0.343	14	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(OH)(H)	C[6](C[6]C[6]HO)2(NHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(NHH)(H){1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2O)	107.5530	0.241	6	107.9879	0.343	14	109.0944	1.139	126	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	H(C[6]C[6]2O)	109.1270	0.000	1	106.3840	13.263	3	108.5750	5.372	10	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2O)	105.0125	3.904	2	106.3840	13.263	3	108.5750	5.372	10	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>,2|O<2>}	H(C[6]C[6]2O)	109.7210	0.000	1	109.7210	0.000	1	108.5750	5.372	10	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	H(C[6]C[6]2O)	109.6210	0.966	2	109.4150	0.380	4	108.5750	5.372	10	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H){1|Rh<6>,1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.2090	0.194	2	109.4150	0.380	4	108.5750	5.372	10	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(N[5]C[5]2)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(N[5]C[5]2)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	H(C[6]C[6]2O)	109.6540	0.000	1	109.6540	0.000	1	108.5750	5.372	10	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]N[5a]O[6]C)(C[6]C[6]N[5]H)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H)	H(C[6]C[6]2O)	C[6](C[6]N[5a]O[6]C)(C[6]C[6]N[5]H)(OC)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.5630	0.000	1	109.5630	0.000	1	108.5750	5.372	10	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[6]C[6]2)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[6]C[6]2)(H){1|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6]2O)	108.6070	0.000	1	108.6070	0.000	1	108.3157	0.064	3	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]HW)(N[6]C[6]2)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<1>,1|W<7>,3|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]HW)(N[6]C[6]2)(H){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6]2O)	108.1700	0.000	2	108.1700	0.000	2	108.3157	0.064	3	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OCoC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<3>}	C[6](C[6]C[6]HO)2(OCoC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	110.2150	0.000	1	110.2150	0.000	1	108.3190	0.724	11	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)2(OCu2)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OCu2)(H){1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.1797	0.155	4	108.1797	0.024	4	108.3190	0.724	11	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H)	C[6](C[6]C[6]HO)2(OCu2)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OCu2)(H){1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	107.5830	0.117	4	107.5830	0.014	4	108.3190	0.724	11	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(ONiH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,1|S<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(ONiH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.1215	0.019	2	109.1215	0.000	2	108.3190	0.724	11	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a]O)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a]O)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	107.3300	0.000	1	107.3300	0.000	1	107.3300	0.000	1	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CN[5]O)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CN[5]O)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2S)	108.2520	0.000	1	108.2520	0.000	1	107.6430	0.742	2	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a])(H)	C[6](C[6]C[6]HS)(C[6]N[6]HH)(COO)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a])(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HS)(C[6]N[6]HH)(COO)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2S)	107.0340	0.000	1	107.0340	0.000	1	107.6430	0.742	2	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(SC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NCH)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(SC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2S)	106.8610	0.000	1	106.8610	0.000	1	107.6745	1.324	2	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(SC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NCH)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(SC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2S)	108.4880	0.000	1	108.4880	0.000	1	107.6745	1.324	2	108.9430	1.619	294	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:2:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]CO)(OC)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6]HO)(COO)(OH)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]CO)(OC)(H){2|C<4>,2|N<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6]HO)(COO)(OH){2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]O)	108.1790	0.000	1	108.1790	0.000	1	108.1790	0.000	1	108.4796	0.697	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(OC)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HO)(COO)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(OC)(H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HO)(COO)(OH){3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]O)	107.9840	0.305	4	107.6780	0.174	8	107.6780	0.174	8	108.4796	0.697	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(OC)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HO)(COO)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(OC)(H){2|C<4>,2|N<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HO)(COO)(OH){2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]O)	107.3720	0.253	4	107.6780	0.174	8	107.6780	0.174	8	108.4796	0.697	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CCO)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CCO)(OH){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	109.4060	0.000	1	109.4060	0.000	1	109.4060	0.000	1	108.4796	0.697	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(OH){2|H<1>,3|C<4>}	H(C[6]C[6]2O)	108.6935	0.718	2	108.6935	0.515	2	109.0583	0.288	10	108.4796	0.697	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)2(COO)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(COO)(OH){1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2O)	108.5080	0.000	1	108.5080	0.000	1	109.0583	0.288	10	108.4796	0.697	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HO)2(COO)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HN)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(COO)(OH){1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2O)	109.1460	0.000	1	109.1460	0.000	1	109.0583	0.288	10	108.4796	0.697	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(OH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.9093	0.474	3	109.1220	0.331	4	109.0583	0.288	10	108.4796	0.697	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(OH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.7600	0.000	1	109.1220	0.331	4	109.0583	0.288	10	108.4796	0.697	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6]FeH)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(COO)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6]FeH)(C[6]C[6]CO)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(COO)(OH){1|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.6900	0.000	1	109.6900	0.000	1	109.0583	0.288	10	108.4796	0.697	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6]FeH)(C[6]C[6]CO)(OSi)(H)	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(COO)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6]FeH)(C[6]C[6]CO)(OSi)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(COO)(OH){1|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.3640	0.000	1	109.3640	0.000	1	109.0583	0.288	10	108.4796	0.697	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]CC)(OC)(H)	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HO)(COO)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]CC)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HO)(COO)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2O)	108.2760	0.000	1	108.2760	0.000	1	108.2760	0.000	1	108.5077	0.725	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6a]O)(CCH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6a]O)(CCH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.1390	0.000	1	109.1030	0.003	2	108.3637	1.641	3	108.5077	0.725	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6a]O)(CCH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6a]O)(CCH){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.0670	0.000	1	109.1030	0.003	2	108.3637	1.641	3	108.5077	0.725	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]S[6]HH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(COO)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]S[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(COO)2{1|C<3>,1|S<2>,3|H<1>}	H(C[6]C[6]2O)	106.8850	0.000	1	106.8850	0.000	1	108.3637	1.641	3	108.5077	0.725	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CCH)(NCH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OH)(H){1|H<1>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CCH)(NCH){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.8850	0.000	1	108.8850	0.000	1	108.8850	0.000	1	108.5077	0.725	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:S-3:	C[6]-4:	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(SCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(SCO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.7940	0.000	1	108.7940	0.000	1	108.7940	0.000	1	108.5077	0.725	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:3:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C[5]-3:C-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5]C[6]C)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]CH)(C[5]C[5]2)(CH3)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5]C[6]C)(OC)(H){1|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6,6]CH)(C[5]C[5]2)(CH3){2|H<1>,2|O<2>,6|C<4>}	H(C[6]C[5,6]C[6]O)	109.8725	0.718	2	109.8725	0.515	2	109.8725	0.515	2	109.8725	0.515	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HO)(CH3)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(OC)(H){1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HO)(CH3)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]O)	107.7190	0.000	1	107.7190	0.000	1	107.5425	0.377	4	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HO)(CH3)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(OH)(H){1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HO)(CH3)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]O)	107.8100	0.000	1	107.8100	0.000	1	107.5425	0.377	4	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]O)	108.0020	0.000	1	108.0020	0.000	1	107.5425	0.377	4	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(CHHO)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]O)	106.6390	0.000	1	106.6390	0.000	1	107.5425	0.377	4	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[3x5,6]C[5,6,6]O[5,6])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,5,6,6]C[6]O)	C[6](C[5,5,6,6]C[3x5,6]C[5,6,6]O[5,6])(C[6]C[6]CH)(OH)(H){2|H<1>,2|O<2>,5|C<4>}	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,5,6,6]C[6]O)	108.2430	1.509	2	108.2430	2.277	2	108.2430	2.277	2	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[3x5]O[6])(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6,6]C[3x5]O[6])(C[6]C[6]CH)(OC)(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]O)	108.8420	0.000	1	108.8420	0.000	1	108.0807	1.435	3	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,5]O[6])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6,6]C[5,5]O[6])(C[6]C[6]CH)(OH)(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]O)	108.7000	0.000	1	108.7000	0.000	1	108.0807	1.435	3	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]CH)(OH)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]O)	106.7000	0.000	1	106.7000	0.000	1	108.0807	1.435	3	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5,6,6]CH)(OH)(H)	C[6](C[5,6,6]C[5,6]2O[5,6])(C[6]C[5,6]HO)(CHHI)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5,6,6]CH)(OH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6,6]C[5,6]2O[5,6])(C[6]C[5,6]HO)(CHHI)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]O)	109.8190	0.000	1	109.8190	0.000	1	109.8190	0.000	1	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(CH3)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(CH3)(H){1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]O)	108.2225	1.059	2	108.2225	1.121	2	108.2225	1.121	2	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[3]C[6]O)(C[6]C[5,6]HO)(CCCH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[3]C[6]O)(C[6]C[5,6]HO)(CCCH)(H){1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]O)	108.6995	1.344	2	108.6995	1.807	2	108.6377	2.237	19	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]2H)(CH3)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(OC)(H){4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]2H)(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]O)	110.4090	0.000	1	110.4090	0.000	1	108.6377	2.237	19	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(OC)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]O)	109.1677	1.111	6	109.1677	1.235	6	108.6377	2.237	19	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[5,6]CN)(C[6]C[5,6]HO)(CHHO)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]CH)(OC)(H){1|C<3>,1|N<2>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]CN)(C[6]C[5,6]HO)(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]O)	103.7960	0.000	1	103.7960	0.000	1	108.6377	2.237	19	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HO)(CH3)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(OH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HO)(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]O)	108.2690	0.529	2	108.2690	0.280	2	108.6377	2.237	19	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CC[6a]HH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]O)	109.0660	0.000	1	109.0660	0.000	1	108.6377	2.237	19	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CCCO)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CCCO)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]O)	107.9240	0.000	1	107.9240	0.000	1	108.6377	2.237	19	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[5,6]HO)(CH3)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[5]C[6]H)(C[6]C[5,6]HO)(CH3)(H){1|Fe<10>,1|H<1>,1|N<3>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]O)	108.5920	0.000	1	108.5920	0.000	1	108.6377	2.237	19	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HO)(CH3)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HO)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[5,6]C[6]O)	107.9770	0.000	1	107.9770	0.000	1	108.6377	2.237	19	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OSi)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)(H){1|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]O)	109.6440	0.000	1	109.6440	0.000	1	108.6377	2.237	19	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HO)(CH3)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]CH)(OC)(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]O)	109.6540	0.000	1	109.6540	0.000	1	108.6377	2.237	19	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[5,6]HO)2(CH3)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]CH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HO)2(CH3)(H){1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]O)	108.1110	0.000	1	108.1110	0.000	1	108.6377	2.237	19	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]2C)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(OC)(H){4|H<1>,7|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]2C)(C[6]C[6]HH)(H){5|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]O)	110.2210	0.000	1	110.2210	0.000	1	110.2210	0.000	1	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]CH)(O[6]C[6,6a])(H)	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[5]O[6]H)(CH3)(H)	H(C[6]C[5]C[6]O[6])	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]CH)(O[6]C[6,6a])(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[5]O[6]H)(CH3)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[5]C[6]O[6])	106.9860	0.000	1	106.9860	0.000	1	106.9860	0.000	1	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(H)	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5]C[6]O[6])	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(H){1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5]C[6]O[6])	108.8700	0.249	2	108.8700	0.062	2	108.8700	0.062	2	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(CN)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CCHH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(CN)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]C)	108.3960	0.000	2	108.3960	0.000	2	108.3960	0.000	2	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(OC)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HO)(CHHO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(OC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HO)(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	109.3480	0.000	1	109.3480	0.000	1	109.3480	0.000	1	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6,6]CH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(CH3)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6,6]CH)(OH)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(CH3)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	106.8600	0.221	2	106.8600	0.049	2	106.8600	0.049	2	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]CH)(OSi)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HO)(CH3)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]CH)(OSi)(H){2|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]O)	109.0420	0.000	1	109.0420	0.000	1	108.9262	0.800	22	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCl3)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(OH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCl3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]O)	109.6050	0.000	1	109.6050	0.000	1	108.9262	0.800	22	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(OS)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(OS)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]O)	109.0195	0.141	2	109.0195	0.020	2	108.9262	0.800	22	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	109.4940	0.000	1	109.4940	0.000	1	108.9262	0.800	22	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]O)	108.1820	0.000	1	108.1820	0.000	1	108.9262	0.800	22	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCF)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCF)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	108.7290	0.000	1	108.7290	0.000	1	108.9262	0.800	22	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6,6]C[6]O)	109.6240	0.000	1	108.3143	1.293	3	108.9262	0.800	22	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	107.6595	0.117	2	108.3143	1.293	3	108.9262	0.800	22	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	109.0774	0.367	5	109.0774	0.135	5	108.9262	0.800	22	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CHHO)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]O)	107.4770	0.000	1	107.4770	0.000	1	108.9262	0.800	22	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OS)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OS)(H){3|H<1>,5|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	110.5010	0.130	2	110.5010	0.017	2	108.9262	0.800	22	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]O)	107.8190	0.000	1	107.8190	0.000	1	108.9262	0.800	22	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]O)	108.9720	1.631	2	108.8860	1.352	3	108.9262	0.800	22	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|O<2>}	H(C[6]C[6,6]C[6]O)	108.7140	0.000	1	108.8860	1.352	3	108.9262	0.800	22	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]O)	109.3680	0.000	1	109.3680	0.000	1	109.3680	0.000	1	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:S-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(SS)(H)	C[6](C[6]C[6,6]HS)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]S)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(SS)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HS)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]S)	107.7425	0.090	2	107.7425	0.008	2	107.7425	0.008	2	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[3x6]-4:O-2:H-1:	C[5,5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,5]C[6]H)(C[3x6]C[3x6]2H)(OH)(H)	C[6](C[5,5]C[5,5,6,6]C[5]2)(C[6]C[3x6]HO)(C[6]C[6]HH)(H)	H(C[6]C[3x6]C[6]O)	C[6](C[6]C[5,5]C[6]H)(C[3x6]C[3x6]2H)(OH)(H){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[6](C[5,5]C[5,5,6,6]C[5]2)(C[6]C[3x6]HO)(C[6]C[6]HH)(H){1|O<1>,2|O<2>,5|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]O)	109.2740	0.000	1	109.2740	0.000	1	109.2740	0.000	1	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CN)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2C)	108.8900	0.000	1	108.8900	0.000	1	108.8900	0.000	1	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:H-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]HO)(HC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPdHH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(HC)(H){1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPdHH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.9080	0.000	1	109.9080	0.000	1	109.9080	0.000	1	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2N)	107.1840	0.000	1	107.1840	0.000	1	108.3258	2.858	5	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(CSiHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(CSiHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	109.2820	0.000	1	109.2820	0.000	1	108.3258	2.858	5	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(NN)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HN)(CCHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(NN)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HN)(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	109.6260	0.006	2	109.6260	0.000	2	108.3258	2.858	5	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]2C[6])(C[6]C[6]CH)(NS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]2C[6])(C[6]C[6]CH)(NS)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2N)	105.9110	0.000	1	105.9110	0.000	1	108.3258	2.858	5	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	109.1260	0.000	1	109.1260	0.000	1	109.1260	0.000	1	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(SC[6a]OO)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(SC[6a]OO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	103.5860	0.000	1	103.5860	0.000	1	103.5860	0.000	1	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OH)(H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(CC3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(CC3)(H){3|H<1>,4|C<4>}	H(C[6]C[6]2O)	108.8300	0.000	1	108.8300	0.000	1	108.4005	0.516	4	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OS)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(CC3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OS)(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(CC3)(H){2|Cl<1>,3|H<1>,4|C<4>}	H(C[6]C[6]2O)	109.0920	0.000	1	109.0920	0.000	1	108.4005	0.516	4	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(OH)(H){2|O<2>,3|C<4>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(CH3)(H){2|C<4>,5|H<1>}	H(C[6]C[6]2O)	107.4820	0.000	1	107.4820	0.000	1	108.4005	0.516	4	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]CH)(C[6]C[6]HO)(OOs)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3,6]CH)(C[6]C[6]HO)(OOs)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HO)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.1980	0.000	1	108.1980	0.000	1	108.4005	0.516	4	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[3]C[3]O[3]C)(C[6]C[6]HO)2(H)	H(C[6]C[6]2O)	C[6](C[6]C[3]C[6]H)(C[6]C[6]HH)(OH)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[3]C[3]O[3]C)(C[6]C[6]HO)2(H){1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.6910	0.000	1	108.6910	0.000	1	109.2855	0.707	2	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3]C[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[3]C[3]O[3]C)(C[6]C[6]HO)2(H)	H(C[6]C[6]2O)	C[6](C[6]C[3]C[6]H)(C[6]C[6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[3]C[3]O[3]C)(C[6]C[6]HO)2(H){1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.8800	0.000	1	109.8800	0.000	1	109.2855	0.707	2	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3x6]CH)(C[6]C[6]CH)(OH)(H)	C[6](C[3x6]C[3x6]C[6,6]O[6])(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3x6]CH)(C[6]C[6]CH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[3x6]C[3x6]C[6,6]O[6])(C[6]C[6]HO)(CH3)(H){2|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6]2O)	108.7340	0.000	1	108.7340	0.000	1	108.7340	0.000	1	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[5,6,6]HH)(OH)(H)	C[6](C[5,6,6]C[5,6]O[6,6]C[5])(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6,6]CH)(C[6]C[5,6,6]HH)(OH)(H){1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6,6]C[5,6]O[6,6]C[5])(C[6]C[6]HO)(CH3)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.7090	0.000	1	108.7090	0.000	1	108.5980	0.025	2	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(OSi)(H)	C[6](C[5,6,6]N[5,5,6]C[5,6]C[6])(C[6]C[6]HO)(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(OSi)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6,6]N[5,5,6]C[5,6]C[6])(C[6]C[6]HO)(CCHH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6]2O)	108.4870	0.000	1	108.4870	0.000	1	108.5980	0.025	2	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]CH)(OSi)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[3]C[3]2H)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]CH)(OSi)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[3]C[3]2H)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	H(C[6]C[6]2O)	108.6582	0.638	6	108.6582	0.408	6	108.6960	0.350	7	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]HO)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[3]C[3]O[3]C)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[3]C[3]O[3]C)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2O)	108.9230	0.000	1	108.9230	0.000	1	108.6960	0.350	7	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5,6,6]C[5]O[5])(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]O[5])(C[6]C[6]HO)(CH3)(H){4|H<1>,5|C<4>}	H(C[6]C[6]2O)	108.5945	0.056	2	108.5945	0.003	2	108.2973	0.452	18	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2O)	107.5890	0.000	1	107.5890	0.000	1	108.2973	0.452	18	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(OH)(H)	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HO)(CH3)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6]2O)	107.9450	0.000	1	107.9450	0.000	1	108.2973	0.452	18	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(OS)(H)	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(OS)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2O)	109.6410	0.000	1	109.6410	0.000	1	108.2973	0.452	18	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OC)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OC)(H){1|C<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HO)(CH3)(H){1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6]2O)	109.0300	0.000	1	109.0300	0.000	1	108.2973	0.452	18	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2O)	107.0740	0.000	1	107.0740	0.000	1	108.2973	0.452	18	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HO)(CH3)(H){3|H<1>,4|C<4>}	H(C[6]C[6]2O)	108.3710	0.000	1	108.3710	0.000	1	108.2973	0.452	18	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCCH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2O)	106.8460	0.000	1	106.8460	0.000	1	108.2973	0.452	18	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HO)(CCHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HO)(CCHO)(H){2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2O)	108.7705	0.127	2	108.7705	0.016	2	108.2973	0.452	18	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HO)(CH3)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.3495	0.386	4	108.3495	0.149	4	108.2973	0.452	18	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OSi)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2O)	108.2250	0.000	1	108.2250	0.000	1	108.2973	0.452	18	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)2(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(CC[6a]HH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)2(OH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(CC[6a]HH)(H){3|H<1>,4|C<4>}	H(C[6]C[6]2O)	108.2515	0.008	2	108.2515	0.000	2	108.2973	0.452	18	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[5,6]C[5,5,6]C[5,6]O)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]O)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6]2O)	108.7600	0.000	1	108.7600	0.000	1	108.7600	0.000	1	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.5289	0.286	7	109.7026	0.312	8	109.5076	0.470	13	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2O)	110.9190	0.000	1	109.7026	0.312	8	109.5076	0.470	13	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[5]C[5]2C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5]C[5]2C)(C[6]C[6]HH)(C[6]C[6]HO)(H){3|C<4>,8|H<1>}	H(C[6]C[6]2O)	110.0655	0.077	2	110.0655	0.006	2	109.5076	0.470	13	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2O)	108.3750	0.000	1	108.3750	0.000	1	109.5076	0.470	13	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6]HO)(C[6]O[6]HH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6]HO)(C[6]O[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2O)	108.5740	0.000	1	108.5740	0.000	1	109.5076	0.470	13	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]O[6]HH)(OH)(H)	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5]C[6]H)(C[6]O[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6]2O)	108.8980	0.000	1	108.8980	0.000	1	109.5076	0.470	13	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2O)	108.6200	0.000	1	108.6200	0.000	1	108.4996	0.674	22	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HO)(CH3)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6]2O)	107.3350	0.000	1	107.3350	0.000	1	108.4996	0.674	22	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.0530	0.000	1	108.0530	0.000	1	108.4996	0.674	22	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CHHO)(H){3|C<4>,5|H<1>}	H(C[6]C[6]2O)	110.1290	0.000	1	110.1290	0.000	1	108.4996	0.674	22	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.8450	0.000	1	108.7979	0.013	7	108.4996	0.674	22	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.7180	0.000	2	108.7979	0.013	7	108.4996	0.674	22	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2O)	108.7990	0.245	2	108.7979	0.013	7	108.4996	0.674	22	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.8530	0.000	2	108.7979	0.013	7	108.4996	0.674	22	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HO)(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HO)(CCHH)(H){2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2O)	107.2640	0.000	1	107.2640	0.000	1	108.4996	0.674	22	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2O)	106.8270	0.000	1	107.8295	0.610	4	108.4996	0.674	22	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2O)	108.7300	0.000	1	107.8295	0.610	4	108.4996	0.674	22	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2O)	107.9500	0.000	1	107.8295	0.610	4	108.4996	0.674	22	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H){3|C<4>,5|H<1>}	H(C[6]C[6]2O)	107.8110	0.000	1	107.8295	0.610	4	108.4996	0.674	22	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2O)	107.6420	0.000	1	108.3185	0.915	2	108.4996	0.674	22	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){4|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.9950	0.000	1	108.3185	0.915	2	108.4996	0.674	22	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OS)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OS)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.7140	0.000	1	108.7140	0.000	1	108.4996	0.674	22	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OSi)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.3300	0.000	1	108.3300	0.000	1	108.4996	0.674	22	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.2140	0.000	1	109.5035	1.010	2	108.4996	0.674	22	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.7930	0.000	1	109.5035	1.010	2	108.4996	0.674	22	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[3x6]2Cl)(C[6]C[6]HO)(C[6]N[6]HH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|Cl<1>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]2Cl)(C[6]C[6]HO)(C[6]N[6]HH)(H){1|S<4>,4|H<1>,5|C<4>}	H(C[6]C[6]2O)	108.1785	0.552	2	108.1785	0.305	2	108.1785	0.305	2	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:Si-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]SiH)(OH)(H)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HO)(SiC3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]SiH)(OH)(H){1|C<4>,3|C<3>}	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HO)(SiC3)(H){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6]2O)	107.1990	0.000	1	107.1990	0.000	1	107.1990	0.000	1	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CClHH)(Cl)	H(C[6]C[6]2O)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CClHH)(Cl){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.2010	0.000	1	109.2010	0.000	1	109.7720	0.652	2	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(Cl)	H(C[6]C[6]2O)	C[6](C[6]C[6]ClC)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(Cl){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	110.3430	0.000	1	110.3430	0.000	1	109.7720	0.652	2	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.8560	0.000	1	108.8560	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OS)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.0520	0.000	1	109.0520	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(OC[6a])(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(OC[6a])(H){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.3155	0.309	2	108.3155	0.095	2	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.4140	0.000	1	108.4140	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3x6]CH)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3x6]CH)(C[6]C[6]CH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	H(C[6]C[6]2O)	108.7090	0.000	1	108.7090	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(H){1|C<2>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	108.3380	0.000	1	108.3380	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.1050	0.000	1	108.1050	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]CH)(OSi)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]CH)(OSi)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2O)	108.6758	0.663	6	108.6758	0.439	6	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	109.2500	0.000	1	109.2500	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CCHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CCHO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.4170	0.000	1	108.4170	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	107.8470	0.000	1	107.7530	1.128	3	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	106.6470	0.000	1	107.7530	1.128	3	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2O)	108.7650	0.000	1	107.7530	1.128	3	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	H(C[6]C[6]2O)	107.3120	0.000	1	107.3120	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OC)(H){5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.7550	0.000	1	109.7550	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[3x6]CH)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[3x6]CH)(C[6]C[6]HO)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	107.5900	0.000	1	107.5900	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CCCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(OC)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CCCH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	107.9150	0.000	1	107.9150	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HO)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2O)	108.6970	0.143	2	108.6970	0.020	2	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(CCCO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(CCCO)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2O)	113.5680	0.000	1	113.5680	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2O)	106.8560	0.000	1	106.8560	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(OH)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CH3)(H){1|C<3>,2|C<4>}	H(C[6]C[6]2O)	109.6300	0.000	1	109.6300	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HO)(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HO)(CCHH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2O)	108.6875	0.708	2	108.6875	0.501	2	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.8615	0.179	2	108.8615	0.032	2	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HO)(CCHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HO)(CCHO)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.9370	0.591	2	108.9370	0.349	2	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CCHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CCHO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.1550	0.000	1	109.1550	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CC[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CC[6]HO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.6190	0.000	1	108.6190	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.6490	0.000	1	108.6815	0.002	2	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.7140	0.000	1	108.6815	0.002	2	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.5680	0.000	1	108.5680	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.4665	0.740	79	109.4665	0.548	79	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6]HO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.8610	0.000	1	109.8610	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.7740	0.000	1	109.7740	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	110.0057	1.407	3	109.4474	1.825	19	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.3427	1.361	16	109.4474	1.825	19	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.5195	0.183	2	109.5195	0.034	2	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.4435	0.098	4	108.4435	0.010	4	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.1750	0.000	1	109.1750	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|Si<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]HO)(CH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	110.5250	0.000	1	110.5250	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.2277	1.033	37	109.2277	1.066	37	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.0873	0.075	3	109.0873	0.006	3	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.6565	0.223	2	108.6565	0.050	2	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.5470	0.330	4	109.5470	0.109	4	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.9382	0.315	4	109.9382	0.099	4	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCHH)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	107.6945	0.315	2	107.6945	0.099	2	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CC[6a]HH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CC[6a]HH)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	107.9853	0.154	3	107.9853	0.024	3	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	107.1070	0.000	1	107.1070	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CCCO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CCCO)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.1880	0.000	1	109.1880	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2O)	108.7480	0.000	1	108.2137	0.281	3	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	107.9465	0.366	2	108.2137	0.281	3	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6]HO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.0770	0.000	1	109.0770	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.3193	0.126	3	108.3193	0.016	3	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	107.5300	1.554	2	107.5300	2.416	2	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.2450	0.000	1	108.2450	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(CSiHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(CSiHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.6020	0.000	1	108.6020	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCCO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCCO)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2O)	108.7660	0.000	1	108.7660	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]S[6]HH)(CC[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|S<2>,4|H<1>}	C[6](C[6]C[6]HO)(C[6]S[6]HH)(CC[6]HO)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2O)	106.1370	0.000	1	106.1370	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(ON)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(ON)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.2365	0.132	2	109.2365	0.017	2	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.1163	0.438	38	109.1163	0.192	38	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP[5])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP[5])(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.9490	0.000	1	108.9490	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	110.0890	0.000	1	110.0890	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.7800	0.000	1	109.7800	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6]HO)(C[6]C[6]HS)(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]HS)(CHHO)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2O)	109.4300	0.000	1	109.4300	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6]HO)2(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(CH3)(H){1|C<3>,1|I<1>,2|H<1>}	H(C[6]C[6]2O)	109.1570	0.000	1	109.1570	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HN)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHHO)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2O)	108.6350	0.033	2	108.6350	0.001	2	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.2035	0.110	2	108.2035	0.012	2	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	111.2950	0.000	1	111.2950	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.5520	0.000	1	109.5520	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.4640	0.000	1	109.4640	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CBrHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CBrHH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.7630	0.000	1	108.7630	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHN)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHN)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.6403	0.875	3	108.6403	0.765	3	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CHHN)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CHHN)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	110.7130	0.000	1	110.7130	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	107.9160	0.000	1	107.9160	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2O)	108.7597	0.215	3	108.7597	0.046	3	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.3475	0.135	2	108.3475	0.018	2	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.8720	0.037	2	108.8720	0.001	2	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.2610	0.000	1	108.2610	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.4545	0.652	4	108.4545	0.425	4	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	107.3840	0.000	1	107.3840	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(OC[6])(H){1|H<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2O)	109.2950	0.000	1	109.2950	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.7910	0.000	1	108.7910	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.7860	0.000	1	108.7860	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCHH)(H){1|H<1>,3|C<4>}	H(C[6]C[6]2O)	106.7622	0.123	6	106.7622	0.015	6	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	H(C[6]C[6]2O)	108.1358	0.425	4	109.0428	1.093	13	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2O)	109.8422	0.877	6	109.0428	1.093	13	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	H(C[6]C[6]2O)	109.0870	0.126	2	109.0428	1.093	13	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	H(C[6]C[6]2O)	107.7870	0.000	1	109.0428	1.093	13	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CO)(CH3)(H){1|H<1>,2|C<4>}	H(C[6]C[6]2O)	107.8190	0.000	1	107.8190	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CH3)(H){1|H<1>,2|C<4>}	H(C[6]C[6]2O)	109.0425	0.125	2	109.0425	0.016	2	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(OH)(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2O)	108.4695	0.124	2	108.4695	0.015	2	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(OH)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2O)	109.6310	0.000	1	109.2073	0.080	4	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(OH)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OH)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2O)	109.0660	0.032	3	109.2073	0.080	4	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(OSi)(H)	C[6](C[6]C[5]C[6]C)(C[6]C[6]HO)(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OSi)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]C)(C[6]C[6]HO)(CCHH)(H){1|N<2>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2O)	108.0870	0.000	1	108.0870	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(OSi)(H)	C[6](C[6]C[5]O[6]O)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OSi)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[5]O[6]O)(C[6]C[6]HO)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2O)	108.8250	0.000	1	108.8250	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OSi)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.6800	0.000	1	108.6800	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OSi)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHO)(H){1|H<1>,4|C<4>}	H(C[6]C[6]2O)	109.3100	0.000	1	109.2433	0.004	3	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OSi)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHO)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.2100	0.021	2	109.2433	0.004	3	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OSi)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H){1|H<1>,4|C<4>}	H(C[6]C[6]2O)	109.2360	0.000	1	109.3060	0.014	5	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OSi)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.3235	0.129	4	109.3060	0.014	5	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OSi)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.1130	0.000	1	108.1130	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(OSi)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OSi)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	H(C[6]C[6]2O)	108.1655	0.132	2	108.4588	0.148	4	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(OSi)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OSi)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	H(C[6]C[6]2O)	108.7520	0.288	2	108.4588	0.148	4	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(OSi)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OSi)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CO)(CH3)(H){1|H<1>,2|C<4>}	H(C[6]C[6]2O)	108.5120	0.000	1	108.5120	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(OSi)(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OSi)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2O)	108.1540	0.000	1	108.1540	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(OSi)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OSi)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2O)	108.0090	0.000	1	108.0090	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H){1|Cl<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	110.9830	0.000	1	110.9830	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[5]CC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CH)(OH)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[5]CC)(H){1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6]2O)	105.4390	0.000	1	105.4390	0.000	1	109.0285	0.954	340	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(H){3|C<4>,8|H<1>}	H(C[6]C[6]2O)	108.8293	0.375	3	108.8293	0.141	3	108.8293	0.141	3	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	102.1470	0.000	1	102.1470	0.000	1	108.5437	2.929	26	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HN)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.1400	0.000	1	109.1400	0.000	1	108.5437	2.929	26	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.3600	0.000	1	109.3600	0.000	1	108.5437	2.929	26	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.2330	0.000	1	109.2330	0.000	1	108.5437	2.929	26	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.8870	0.000	1	108.8870	0.000	1	108.5437	2.929	26	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NPdHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NPdHH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	110.0945	0.262	2	110.0945	0.069	2	108.5437	2.929	26	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCHH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.9250	0.000	1	108.9250	0.000	1	108.5437	2.929	26	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.1172	1.056	4	108.9421	0.480	9	108.5437	2.929	26	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.8020	0.261	5	108.9421	0.480	9	108.5437	2.929	26	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NH3)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.4160	0.000	1	108.4160	0.000	1	108.5437	2.929	26	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NH3)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.1050	0.000	1	108.1050	0.000	1	108.5437	2.929	26	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NPdHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NPdHH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.8120	0.000	1	109.8120	0.000	1	108.5437	2.929	26	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.8605	0.319	2	109.8605	0.102	2	108.5437	2.929	26	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(OH)(H)	C[6](C[6]C[6]HO)2(NH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(NH3)(H){1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2O)	106.9303	1.240	4	106.9303	1.537	4	108.5437	2.929	26	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]HP)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(PC[6a]2O)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]HP)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(PC[6a]2O)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	110.4400	0.000	1	110.4400	0.000	1	110.4400	0.000	1	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a]OO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a]OO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.9710	0.000	1	108.9710	0.000	1	109.1770	0.168	3	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(SC[6a]OO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(SC[6a]OO)(H){2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2O)	109.2800	0.522	2	109.2800	0.272	2	109.1770	0.168	3	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.9790	0.775	2	109.9790	0.601	2	108.7413	4.127	6	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.1950	0.000	1	107.6293	6.259	3	108.7413	4.127	6	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	106.8465	2.973	2	107.6293	6.259	3	108.7413	4.127	6	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.6020	0.000	1	109.6020	0.000	1	108.7413	4.127	6	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(OP)(H)	C[6](PC[6a]C[6]Pd)(C[6]C[6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(OP)(H){1|C<4>,4|H<1>}	C[6](PC[6a]C[6]Pd)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	112.0430	0.000	1	112.0430	0.000	1	112.0430	0.000	1	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]2S)(C[6]C[6]CH)(O[6]C[6])(H)	C[6](C[6]C[6]O[6]H)(C[6]N[6]HH)(CH3)(H)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]2S)(C[6]C[6]CH)(O[6]C[6])(H){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]N[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	H(C[6]C[6]2O[6])	105.3900	0.000	1	105.3900	0.000	1	105.3900	0.000	1	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]2H)(O[6]C[6])(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2O[6])	C[6](C[6]C[5a,6]HH)(C[6]C[6]2H)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2O[6])	108.3890	0.000	2	108.3890	0.000	2	108.3229	1.073	9	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(O[6]C[6])(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]2H)(C[6]C[6]CH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2O[6])	107.6860	0.000	1	107.6860	0.000	1	108.3229	1.073	9	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,4|C<4>,6|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H){3|C<4>,6|H<1>}	H(C[6]C[6]2O[6])	109.0090	0.000	1	109.0090	0.000	1	108.3229	1.073	9	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O[6]S[6])(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O[6]S[6])(H){1|C<3>,1|N<3>,2|C<4>,2|O<1>,5|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H){1|S<4>,2|C<4>,6|H<1>}	H(C[6]C[6]2O[6])	108.7800	0.000	1	108.7800	0.000	1	108.3229	1.073	9	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]2H)(C[6]C[6]HO)(O[6]C[6])(H){2|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H){1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2O[6])	105.9420	0.000	1	105.9420	0.000	1	108.3229	1.073	9	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]OO)(O[6]C[6])(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]2H)(C[6]C[6]OO)(O[6]C[6])(H){1|C<3>,2|C<4>,2|F<1>,6|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H){2|C<4>,3|O<2>,4|H<1>}	H(C[6]C[6]2O[6])	109.2700	0.048	2	109.2700	0.002	2	108.3229	1.073	9	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]2H)(O[6]C[6])(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]BrH)(C[6]C[6]2H)(O[6]C[6])(H){1|Br<1>,4|C<4>,6|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H){1|Br<1>,3|C<4>,5|H<1>}	H(C[6]C[6]2O[6])	108.1710	0.000	1	108.1710	0.000	1	108.3229	1.073	9	108.8733	1.216	540	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HH)(CH3)(OH)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CO)(OH)(H){2|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HH)(CH3)(OH){1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[5,6,6]C[6]O)	107.5405	0.139	2	107.5405	0.019	2	107.5405	0.019	2	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CO)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]O)	107.4450	0.000	1	107.4450	0.000	1	107.4450	0.000	1	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[5]C[5]2H)(C[6]C[6]CO)(O[6]C[6])(H)	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(CCHO)(OC)	H(C[6]C[5]C[6]O[6])	C[6](C[5]C[5]2H)(C[6]C[6]CO)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(CCHO)(OC){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5]C[6]O[6])	107.6300	0.000	1	107.6300	0.000	1	107.6300	0.000	1	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	109.2550	0.000	1	108.7993	0.165	3	108.7412	0.075	6	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	108.5715	0.134	2	108.7993	0.165	3	108.7412	0.075	6	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(OH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]O)	108.7670	0.000	1	108.7670	0.000	1	108.7412	0.075	6	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	108.6410	0.115	2	108.6410	0.013	2	108.7412	0.075	6	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC3)(OH)	H(C[6]C[6]2N)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC3)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.7910	0.000	1	106.7910	0.000	1	106.7910	0.000	1	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[3,6]CO)(C[6]C[6]FF)(OH)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(CH3)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[3,6]CO)(C[6]C[6]FF)(OH)(H){1|H<1>,4|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(CH3)(OH){1|C<4>,2|F<1>,6|H<1>}	H(C[6]C[6]2O)	107.7530	0.000	1	107.7530	0.000	1	107.7530	0.000	1	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6,6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HO)(CH3)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[5,6,6]CO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HO)(CH3)(OH){4|H<1>,5|C<4>}	H(C[6]C[6]2O)	107.3453	0.710	3	107.3453	0.504	3	107.3453	0.504	3	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CO)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CO)(OH)(H){1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(OH){4|C<4>,4|H<1>}	H(C[6]C[6]2O)	110.9840	0.000	1	110.9840	0.000	1	108.4365	3.199	4	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(CCHH)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(CCHH)(OH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2O)	106.8050	0.000	1	106.8050	0.000	1	108.4365	3.199	4	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CHHO)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CHHO)(OH){1|C<4>,2|O<2>,5|H<1>}	H(C[6]C[6]2O)	108.0940	0.000	1	108.0940	0.000	1	108.4365	3.199	4	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(CH3)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(CH3)(OH){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2O)	107.8630	0.000	1	107.8630	0.000	1	108.4365	3.199	4	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)(CH3)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)(CH3)(OH){1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2O)	107.9940	0.000	1	107.9940	0.000	1	106.7354	6.562	12	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OC)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OC){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2O)	101.2350	0.000	1	103.6920	12.074	2	106.7354	6.562	12	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OC)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OC){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2O)	106.1490	0.000	1	103.6920	12.074	2	106.7354	6.562	12	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.3510	1.206	2	109.0680	0.968	3	106.7354	6.562	12	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH){4|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.5020	0.000	1	109.0680	0.968	3	106.7354	6.562	12	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(OH){3|C<4>,5|H<1>}	H(C[6]C[6]2O)	107.6870	0.165	2	107.6870	0.027	2	106.7354	6.562	12	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCCH)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCCH)(OH){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2O)	107.9910	0.000	1	107.9910	0.000	1	106.7354	6.562	12	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2O)	107.3000	0.000	1	104.9593	4.432	3	106.7354	6.562	12	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH){4|C<4>,4|H<1>}	H(C[6]C[6]2O)	103.7890	0.803	2	104.9593	4.432	3	106.7354	6.562	12	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HN)(NN)	H(C[6]C[6]2O)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HN)(NN){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.9505	0.129	2	108.9505	0.017	2	108.9505	0.017	2	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(OSi)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(OSi)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.8905	0.063	4	108.8905	0.004	4	108.2035	1.205	55	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	107.3660	0.041	2	107.3660	0.002	2	108.2035	1.205	55	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.3380	0.531	4	108.3380	0.282	4	108.2035	1.205	55	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OC)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(CH3)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OC)(H){2|C<3>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(CH3)(OH){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.9140	0.000	1	109.9140	0.000	1	108.2035	1.205	55	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2O)	107.4510	0.000	1	107.8405	0.303	2	108.2035	1.205	55	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.2300	0.000	1	107.8405	0.303	2	108.2035	1.205	55	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(CH3)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(CH3)(OH){2|C<3>,2|H<1>}	H(C[6]C[6]2O)	108.7370	0.000	1	108.7370	0.000	1	108.2035	1.205	55	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.8580	0.201	2	108.8580	0.040	2	108.2035	1.205	55	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]FF)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]FF)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]2O)	107.2137	0.568	3	107.2137	0.323	3	108.2035	1.205	55	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.9710	0.000	1	108.9710	0.000	1	108.2035	1.205	55	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CCHO)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CCHO)(OH){1|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.2700	0.000	1	110.2700	0.000	1	108.2035	1.205	55	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	106.9620	0.000	1	106.9620	0.000	1	108.2035	1.205	55	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.7060	0.000	1	108.7060	0.000	1	108.2035	1.205	55	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CN[6]HH)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CN[6]HH)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.5920	0.298	2	108.5920	0.089	2	108.2035	1.205	55	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)2(CH3)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)2(CH3)(OH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.4215	0.100	2	108.4215	0.010	2	108.2035	1.205	55	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHHO)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHHO)(OH){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.2580	0.228	2	109.2580	0.052	2	108.2035	1.205	55	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(CH3)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(CH3)(OH){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.0330	0.000	1	110.0330	0.000	1	108.2035	1.205	55	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CHHO)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CHHO)(OH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.9860	0.000	1	108.9860	0.000	1	108.2035	1.205	55	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(CHHO)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|Cl<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(CHHO)(OH){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.3160	0.000	1	109.3160	0.000	1	108.2035	1.205	55	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(OH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.3775	0.224	2	108.3775	0.050	2	108.2035	1.205	55	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(OO)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(OO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.3060	0.000	1	108.3060	0.000	1	108.2035	1.205	55	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	106.8310	0.356	2	106.8310	0.127	2	108.2035	1.205	55	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CHHN)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){2|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CHHN)(OH){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.2910	0.000	1	109.2910	0.000	1	108.2035	1.205	55	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(CC[6a]HH)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(CC[6a]HH)(OH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.1915	0.499	4	108.1915	0.249	4	108.2035	1.205	55	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(CH3)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)2(CH3)(OH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.8290	0.014	2	108.8290	0.000	2	108.2035	1.205	55	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(CHHO)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(CHHO)(OH){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	106.4460	2.990	2	106.4460	8.938	2	108.2035	1.205	55	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HW)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HW)(OH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|H<1>,1|O<1>,1|W<7>}	H(C[6]C[6]2O)	107.6855	0.617	2	107.6855	0.381	2	108.2035	1.205	55	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OC)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OC){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	107.4587	0.694	3	107.4587	0.481	3	108.2035	1.205	55	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(CH3)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]O[6]CH)(OH)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(CH3)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2O)	107.3690	0.000	1	107.3690	0.000	1	108.2035	1.205	55	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CH3)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)2(OH)(H){2|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CH3)(OH){1|O<2>,2|C<4>}	H(C[6]C[6]2O)	108.5840	0.000	1	108.5840	0.000	1	108.2035	1.205	55	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CH3)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)2(OH)(H){2|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CH3)(OH){1|O<2>,2|C<4>}	H(C[6]C[6]2O)	104.7800	0.000	1	104.7800	0.000	1	108.2035	1.205	55	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]CO)(OH)(H)	C[6](C[6]N[5a,6]CH)(C[6]C[6]HO)(CHHO)(OH)	H(C[6]C[6]2O)	C[6](C[6]N[5a,6]HH)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[5a,6]CH)(C[6]C[6]HO)(CHHO)(OH){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2O)	108.2620	0.000	1	108.2620	0.000	1	108.2035	1.205	55	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:S-2:	C[6]-4:	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(SP)	H(C[6]C[6]2O)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(SP){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.4820	0.000	1	109.4820	0.000	1	109.4820	0.000	1	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C[6]-4:S-2:	C[6]-4:	C[6](C[6]C[6]2S)(C[6]C[6]CH)(O[6]C[6])(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(SC[6a])	H(C[6]C[6]2O[6])	C[6](C[6]C[6]2S)(C[6]C[6]CH)(O[6]C[6])(H){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(SC[6a]){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2O[6])	105.3770	0.000	1	105.3770	0.000	1	105.3770	0.000	1	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(SC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CCHH)(OC)	H(C[6]C[6]2S)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(SC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CCHH)(OC){1|C<4>,4|H<1>}	H(C[6]C[6]2S)	104.0460	0.000	1	104.0460	0.000	1	104.0460	0.000	1	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:N[6]-4:C-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(N[6]C[6]CH)(CH)(H)	C[6](C[6]C[6]CO)(C[6]N[6]CH)(CH3)(OH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CO)(N[6]C[6]CH)(CH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]N[6]CH)(CH3)(OH){2|H<1>,3|C<4>}	H(C[6]C[6]N[6]C)	108.8250	0.000	1	108.8250	0.000	1	108.8250	0.000	1	107.9411	2.245	92	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HO)(OC)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[6]C[6]HO)(CH3)(CHO)	H(C[6]C[6]2O)	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[6]C[6]HO)(CH3)(CHO){1|N<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2O)	107.7580	0.000	1	107.7580	0.000	1	107.7580	0.000	1	107.9615	1.223	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OSi)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OSi)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(CCO){2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	110.3370	0.000	1	110.3370	0.000	1	110.3370	0.000	1	107.9615	1.223	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO){4|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.9300	0.297	2	108.9300	0.088	2	107.8830	0.967	20	107.9615	1.223	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(CHO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(CHO){4|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.1120	0.057	2	109.1120	0.003	2	107.8830	0.967	20	107.9615	1.223	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.0190	0.000	1	109.0190	0.000	1	107.8830	0.967	20	107.9615	1.223	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO){4|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.1500	0.000	1	108.1500	0.000	1	107.8830	0.967	20	107.9615	1.223	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(CCH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(CCH){4|C<4>,4|H<1>}	H(C[6]C[6]2O)	107.8770	0.000	2	107.8770	0.000	2	107.8830	0.967	20	107.9615	1.223	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(CHO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(CHO){4|C<4>,4|H<1>}	H(C[6]C[6]2O)	107.2870	1.367	3	107.2870	1.868	3	107.8830	0.967	20	107.9615	1.223	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2O)	107.0520	0.000	1	107.5446	0.494	7	107.8830	0.967	20	107.9615	1.223	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO){4|C<4>,4|H<1>}	H(C[6]C[6]2O)	107.6267	0.732	6	107.5446	0.494	7	107.8830	0.967	20	107.9615	1.223	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(CH3)(COO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(CH3)(COO){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2O)	106.1100	0.000	1	106.9900	1.549	2	107.8830	0.967	20	107.9615	1.223	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(CH3)(COO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(CH3)(COO){4|C<4>,4|H<1>}	H(C[6]C[6]2O)	107.8700	0.000	1	106.9900	1.549	2	107.8830	0.967	20	107.9615	1.223	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H)	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CH3)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CH3)(CCO){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.0233	0.447	3	109.0233	0.200	3	107.8297	1.993	9	107.9615	1.223	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CH3)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CH3)(CCO){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	106.9714	1.330	5	106.9714	1.770	5	107.8297	1.993	9	107.9615	1.223	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(CCH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(CCH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.5400	0.000	1	108.5400	0.000	1	107.8297	1.993	9	107.9615	1.223	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHH)(NOO)	H(C[6]C[6]2O)	C[6](C[6]C[6]CN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHH)(NOO){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.0710	0.000	1	109.0710	0.000	1	108.3763	0.866	3	107.9615	1.223	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(NCH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CN)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(NCH){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2O)	107.3190	0.000	1	107.3190	0.000	1	108.3763	0.866	3	107.9615	1.223	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(NHS)	H(C[6]C[6]2O)	C[6](C[6]C[6]CN)(C[6]O[6]CH)(OC[6])(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(NHS){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.7390	0.000	1	108.7390	0.000	1	108.3763	0.866	3	107.9615	1.223	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-4:C-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(CNO)	H(C[6]C[6]2O)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(CNO){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	107.7965	0.934	4	107.7965	0.872	4	107.7965	0.872	4	107.9615	1.223	38	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CC)(OH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[3,6]HO)(CH3)2	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CC)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[3,6]HO)(CH3)2{1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[3,6]C[6]O)	107.3420	0.000	1	107.3420	0.000	1	107.3420	0.000	1	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[3x6]HO)(C[6]C[6]CH)(CH3)2	H(C[6]C[3x6]C[6]O)	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6]CC)(OH)(H){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[3x6]HO)(C[6]C[6]CH)(CH3)2{2|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]O)	107.3710	0.788	2	107.3710	0.620	2	107.3710	0.620	2	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[4,6]HO)(C[6]C[5,6]HH)(CH3)2	H(C[6]C[4,6]C[6]O)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]CC)(OH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[4,6]HO)(C[6]C[5,6]HH)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[4,6]C[6]O)	109.0110	0.000	1	109.0110	0.000	1	109.0110	0.000	1	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CH3)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]CC)(OH)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]O)	107.1680	0.447	2	107.1680	0.200	2	107.4770	0.386	3	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5,6]N[5,5a]C[5,6]H)(C[6]C[6]CC)(OSi)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CH3)2	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,5a]C[5,6]H)(C[6]C[6]CC)(OSi)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]O)	108.0950	0.000	1	108.0950	0.000	1	107.4770	0.386	3	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	106.3080	0.000	1	107.0805	1.194	2	108.1035	0.679	13	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(OH)(H){3|H<1>,5|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	107.8530	0.000	1	107.0805	1.194	2	108.1035	0.679	13	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]CC)(OC)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]CC)(OC)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]O)	107.9635	0.422	2	107.9635	0.178	2	108.1035	0.679	13	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]O)	109.1140	0.040	2	108.6553	0.632	3	108.1035	0.679	13	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]O)	107.7380	0.000	1	108.6553	0.632	3	108.1035	0.679	13	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CH3)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]O)	109.5410	0.000	1	109.5410	0.000	1	108.1035	0.679	13	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]O)	107.8030	0.156	2	107.8030	0.024	2	108.1035	0.679	13	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	108.0870	0.000	1	108.0870	0.000	1	108.1035	0.679	13	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]N)(C[6]C[6]CC)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(CH3)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]O[6,6]C[6]N)(C[6]C[6]CC)(OC)(H){2|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(CH3)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]O)	107.7210	0.000	1	107.7210	0.000	1	108.1035	0.679	13	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]CC)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(CH3)2	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]CC)(OC)(H){2|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(CH3)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]O)	108.3370	0.000	1	108.3370	0.000	1	108.1035	0.679	13	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(NC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)2	H(C[6]C[6]2N)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(NC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)2{2|C<4>,3|H<1>}	H(C[6]C[6]2N)	107.2610	0.000	1	107.2610	0.000	1	107.2610	0.000	1	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[4]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[4]C[6]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[4]C[4]O[4]H)(C[6]C[6,6]CH)(C[6]C[6]HO)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[4]C[6]C)(C[6]C[6,6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[4]C[4]O[4]H)(C[6]C[6,6]CH)(C[6]C[6]HO)(CH3){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2O)	108.1260	0.000	1	108.1260	0.000	1	108.1260	0.000	1	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(CH3)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.3770	0.000	1	109.3770	0.000	1	109.3770	0.000	1	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCHH)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.4590	0.000	1	108.4590	0.000	1	107.8165	1.000	6	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCHO)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCHO)(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2O)	108.8910	0.000	1	108.8910	0.000	1	107.8165	1.000	6	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(CH3)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2O)	107.1440	0.000	1	107.1440	0.000	1	107.8165	1.000	6	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	H(C[6]C[6]2O)	107.1810	1.457	2	107.1810	2.122	2	107.8165	1.000	6	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OSi)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.0430	0.000	1	108.0430	0.000	1	107.8165	1.000	6	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.3595	0.367	4	108.3595	0.135	4	108.0383	0.619	217	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.5270	0.000	1	108.5567	0.665	6	108.0383	0.619	217	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){4|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.5626	0.912	5	108.5567	0.665	6	108.0383	0.619	217	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2O)	109.6260	0.000	1	108.4592	0.421	59	108.0383	0.619	217	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.4025	0.999	17	108.4592	0.421	59	108.0383	0.619	217	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2O)	108.3047	0.160	4	108.4592	0.421	59	108.0383	0.619	217	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.4070	0.000	1	108.4592	0.421	59	108.0383	0.619	217	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.4722	0.441	36	108.4592	0.421	59	108.0383	0.619	217	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.1190	0.000	1	108.1190	0.000	1	108.0383	0.619	217	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[5])(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){3|C<4>,5|H<1>}	H(C[6]C[6]2O)	109.1390	0.000	1	109.1390	0.000	1	108.0383	0.619	217	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[6])(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[6])(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	H(C[6]C[6]2O)	107.8787	0.095	3	107.8787	0.009	3	108.0383	0.619	217	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[6])(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[6])(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){4|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.6060	0.335	4	108.6060	0.112	4	108.0383	0.619	217	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	H(C[6]C[6]2O)	107.5084	0.805	5	107.5084	0.648	5	108.0383	0.619	217	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){4|C<4>,4|H<1>}	H(C[6]C[6]2O)	107.7440	0.011	2	107.7440	0.000	2	108.0383	0.619	217	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2O)	108.0640	0.000	1	107.6748	0.535	101	108.0383	0.619	217	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2O)	107.7320	0.000	1	107.6748	0.535	101	108.0383	0.619	217	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	H(C[6]C[6]2O)	107.0390	0.000	1	107.6748	0.535	101	108.0383	0.619	217	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.1690	0.000	1	107.6748	0.535	101	108.0383	0.619	217	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	106.8740	0.000	1	107.6748	0.535	101	108.0383	0.619	217	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2O)	107.8831	0.753	29	107.6748	0.535	101	108.0383	0.619	217	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2O)	107.3500	0.606	5	107.6748	0.535	101	108.0383	0.619	217	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.1067	0.331	6	107.6748	0.535	101	108.0383	0.619	217	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	H(C[6]C[6]2O)	107.5585	0.744	56	107.6748	0.535	101	108.0383	0.619	217	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.9590	0.000	1	108.0030	0.360	10	108.0383	0.619	217	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){4|C<4>,4|H<1>}	H(C[6]C[6]2O)	107.8968	0.528	9	108.0030	0.360	10	108.0383	0.619	217	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(ON)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(ON)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.2790	0.000	1	109.2790	0.000	1	108.0383	0.619	217	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OSi)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.0470	0.134	3	108.0470	0.018	3	108.0383	0.619	217	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OSi)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){4|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.0800	0.047	2	108.0800	0.002	2	108.0383	0.619	217	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2O)	109.6320	0.601	2	109.6320	0.361	2	108.0383	0.619	217	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	107.9680	0.000	1	108.1351	0.916	8	108.0383	0.619	217	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2O)	108.1590	1.031	7	108.1351	0.916	8	108.0383	0.619	217	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2O)	108.6045	0.554	4	108.6045	0.307	4	108.0383	0.619	217	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2O)	108.5620	0.000	1	108.5620	0.000	1	108.0383	0.619	217	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H)	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CCHO)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CCHO)(CH3){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.5930	0.000	1	108.5930	0.000	1	108.1018	1.151	27	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	107.4390	0.103	2	107.4390	0.011	2	108.1018	1.151	27	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]CC)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	106.9890	0.000	1	106.9890	0.000	1	108.1018	1.151	27	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.0780	0.000	1	109.0780	0.000	1	108.1018	1.151	27	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)2{2|C<4>,3|H<1>}	H(C[6]C[6]2O)	106.5390	0.000	1	106.5390	0.000	1	108.1018	1.151	27	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(OC)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(CH3)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2O)	109.0840	0.000	1	109.0840	0.000	1	108.1018	1.151	27	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(CHHO)	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(CHHO){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	106.8600	0.000	1	106.8600	0.000	1	108.1018	1.151	27	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2O)	108.9523	0.200	7	108.9523	0.040	7	108.1018	1.151	27	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CC[6]HO)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CC[6]HO)(CH3){2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2O)	107.9750	0.000	1	107.9750	0.000	1	108.1018	1.151	27	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHO)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHO)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.4900	0.000	1	108.8155	0.212	2	108.1018	1.151	27	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHO)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHO)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.1410	0.000	1	108.8155	0.212	2	108.1018	1.151	27	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(CH3){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2O)	106.6960	0.000	1	106.6960	0.000	1	108.1018	1.151	27	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(CH3){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.7440	0.000	1	108.7440	0.000	1	108.1018	1.151	27	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H){1|B<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)2{1|B<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.9110	0.000	1	108.9110	0.000	1	108.1018	1.151	27	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.1710	0.000	1	108.1710	0.000	1	108.1018	1.151	27	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H){1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	107.0600	0.000	1	107.0600	0.000	1	108.1018	1.151	27	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHH)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H){2|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHH)(CH3){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.5830	0.631	2	108.5830	0.398	2	108.1018	1.151	27	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)2(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)2{2|H<1>,3|C<4>}	H(C[6]C[6]2O)	105.8540	0.051	2	105.8540	0.003	2	108.1018	1.151	27	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]2C)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(C[6]O[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]2C)(OH)(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(C[6]O[6]2H)(CH3){2|H<1>,5|C<4>}	H(C[6]C[6]2O)	108.1980	0.000	1	108.1980	0.000	1	108.1980	0.000	1	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]C[6]C)(C[6]C[4,6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H)(C[6]C[6]CH)(CH3)	H(C[6]C[6]2O[6])	C[6](C[6]C[6,6]C[6]C)(C[6]C[4,6]HH)(O[6]C[6])(H){1|O<1>,2|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H)(C[6]C[6]CH)(CH3){2|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6]2O[6])	107.2922	0.068	4	107.2922	0.005	4	107.1368	0.061	6	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H)(C[6]C[6]CH)(CH3)	H(C[6]C[6]2O[6])	C[6](C[6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H)(C[6]C[6]CH)(CH3){3|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6]2O[6])	106.8260	0.037	2	106.8260	0.001	2	107.1368	0.061	6	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(SC[6a])(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)(CH3)2	H(C[6]C[6]2S)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(SC[6a])(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)(CH3)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2S)	107.2950	0.000	1	107.2950	0.000	1	107.2950	0.000	1	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CC)(SC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)2	H(C[6]C[6]2S)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CC)(SC[6a])(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2S)	106.9785	0.506	2	106.9785	0.256	2	106.9785	0.256	2	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(SC[6a])(H)	C[6](C[6]C[6]HS)(N[6]C[6]HH)(CH3)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(SC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HS)(N[6]C[6]HH)(CH3)2{1|C<4>,4|H<1>}	H(C[6]C[6]2S)	107.8180	0.000	1	107.8180	0.000	1	107.8180	0.000	1	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:Se-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(SeC[6a])(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SeH)(CH3)2	H(C[6]C[6]2Se)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(SeC[6a])(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SeH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2Se)	107.3770	0.000	1	107.3770	0.000	1	107.3770	0.000	1	108.0037	0.679	285	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	6:4:1:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	B[5x3,5x5,21x6]-6:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[5x3,5x5,21x6]HH)(C[6]C[6]HH)(OC)(H)	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]B[5x3,5x5,21x6]HH)(C[6]C[6]HH)(OC)(H){1|C<6>,2|H<1>,4|B<6>}	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HO)(H)2{1|C<4>,5|B<6>,6|H<1>}	H(C[6]C[6]2O)	108.5420	0.000	1	108.5420	0.000	1	108.5420	0.000	1	108.5420	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	2:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CC[6a]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CC[6a]C)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{1|C<2>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	107.7820	0.305	3	107.7820	0.093	3	107.6667	0.445	7	107.9614	0.427	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	2:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CCH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CCH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2C)	107.9235	0.528	2	107.9235	0.279	2	107.6667	0.445	7	107.9614	0.427	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	2:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CCO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CCO)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2C)	108.1490	0.000	1	108.1490	0.000	1	107.6667	0.445	7	107.9614	0.427	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	2:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]O[6]HH)(CCC)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HO)(C[6]O[6]HH)(CCC)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2C)	106.3250	0.000	1	106.3250	0.000	1	107.6667	0.445	7	107.9614	0.427	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	2:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]HH)(NOO)(H)	C[6](O[6]C[5a,6])(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]HH)(NOO)(H){4|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]HN)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2N)	108.1160	0.000	1	108.1160	0.000	1	108.3815	0.202	6	107.9614	0.427	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	2:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]HH)(NOO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]HH)(NOO)(H){4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2N)	108.8320	0.000	1	108.8320	0.000	1	108.3815	0.202	6	107.9614	0.427	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	2:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(NOO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(NOO)(H){4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2N)	107.9970	0.000	1	108.0913	0.007	3	108.3815	0.202	6	107.9614	0.427	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	2:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(NOO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(NOO)(H){4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2N)	108.1385	0.011	2	108.0913	0.007	3	108.3815	0.202	6	107.9614	0.427	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	2:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(NC[6a]H)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(NC[6a]H)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2N)	109.0670	0.000	1	109.0670	0.000	1	108.3815	0.202	6	107.9614	0.427	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	2:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]HH)(NOO)(H)	C[6](S[6]C[5a,6])(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]HH)(NOO)(H){4|C<3>}	C[6](S[6]C[5a,6])(C[6]C[6]HN)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2N)	107.5030	0.000	1	107.5030	0.000	1	107.5030	0.000	1	107.9614	0.427	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	2:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]CH)(COO)(H)	C[6](O[6]C[5a,6])(C[6]C[6]CH)(CHHS)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]CH)(COO)(H){1|S<2>,3|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]CH)(CHHS)(H){1|H<1>,3|C<3>}	H(C[6]C[6]2C)	109.4890	0.000	1	109.4890	0.000	1	109.4890	0.000	1	109.0357	0.485	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	2:4:4:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	O[6]-2:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]O[6]H)(C[6]O[6]O)(H)	C[6](O[6]C[6,6a])(C[6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]CH)(C[6]C[6]O[6]H)(C[6]O[6]O)(H){2|H<1>,4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>,3|C<3>}	H(C[6]C[6]3)	108.5150	0.318	2	108.5150	0.101	2	108.5150	0.101	2	109.0357	0.485	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	2:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(NOO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CCHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(NOO)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2N)	108.1550	0.109	2	108.1550	0.012	2	109.1337	0.594	6	109.0357	0.485	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	2:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(NOO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CF3)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(NOO)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CF3)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2N)	109.6405	0.066	2	109.6405	0.004	2	109.1337	0.594	6	109.0357	0.485	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	2:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]CH)(NOO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CCHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]CH)(NOO)(H){4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CCHH)(H){1|H<1>,3|C<3>}	H(C[6]C[6]2N)	109.6055	0.281	2	109.6055	0.079	2	109.1337	0.594	6	109.0357	0.485	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:2:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:S[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(CN[5]O)(H)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(CN[5]O)(H){4|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]CH)(H){1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2C)	109.9920	0.462	2	109.9920	0.214	2	109.9920	0.214	2	109.2842	2.973	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:2:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(NOO)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(NOO)(H){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2N)	108.6617	0.694	4	108.6617	0.481	4	108.2397	1.876	6	109.2842	2.973	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:2:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(NOO)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(NOO)(H){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H){4|C<3>,4|H<1>}	H(C[6]C[6]2N)	105.6930	0.000	1	105.6930	0.000	1	108.2397	1.876	6	109.2842	2.973	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:2:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HN)(NOO)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HN)(NOO)(H){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H){1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6]2N)	109.0980	0.000	1	109.0980	0.000	1	108.2397	1.876	6	109.2842	2.973	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:2:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:S[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]CH)(NOO)(H)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]CH)(NOO)(H){4|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HN)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2N)	108.3980	0.000	1	108.3980	0.000	1	110.2544	3.457	5	109.2842	2.973	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:2:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:S[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(NOO)(H)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(NOO)(H){4|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HN)(H){1|N<2>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2N)	109.2345	0.647	2	110.7185	3.173	4	110.2544	3.457	5	109.2842	2.973	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:2:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:S[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(NOO)(H)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(NOO)(H){4|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HN)(H){1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2N)	112.2025	0.541	2	110.7185	3.173	4	110.2544	3.457	5	109.2842	2.973	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:2:4:4:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5a]-3:S[6]-2:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5a]S[6]C)(C[6]C[6,6a]HO)(CC[6a]O)(H)	C[6](C[5a]C[5a,6a]C[5a])(S[6]C[6,6a])(C[6]C[6]CH)(CF3)	H(C[6]C[6]2C)	C[6](C[6]C[5a]S[6]C)(C[6]C[6,6a]HO)(CC[6a]O)(H){4|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(S[6]C[6,6a])(C[6]C[6]CH)(CF3){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6]2C)	107.0655	0.228	2	107.0655	0.052	2	107.0655	0.052	2	107.4667	0.509	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:2:4:4:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:O[6]-2:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]CH)(NOO)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(CF3)	H(C[6]C[6]2N)	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]CH)(NOO)(H){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(CF3){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2N)	108.2690	0.000	1	108.2690	0.000	1	108.2690	0.000	1	107.4667	0.509	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:3:4:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]2)(C[6]N[6]HH)(NC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HN)	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]C[6a]2)(C[6]N[6]HH)(NC[6a]H)(H){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HN){1|N<3>,6|C<3>,7|H<1>}	H(C[6]C[6]2N)	108.0960	0.000	1	108.0960	0.000	1	108.0960	0.000	1	108.0960	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]CO)(CCO)(H)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]CO)(CCO)(H){2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	H(C[6]C[6]2C)	106.8650	0.000	1	106.8650	0.000	1	107.8945	2.120	2	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(CCO)(H)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(CCO)(H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,2|N<3>,4|C<3>,4|H<1>}	H(C[6]C[6]2C)	108.9240	0.000	1	108.9240	0.000	1	107.8945	2.120	2	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CO)(CCO)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CO)(CCO)(H){2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.6925	0.090	2	106.6327	0.015	3	107.7053	1.398	11	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CO)(CCO)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CO)(CCO)(H){2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2C)	106.5130	0.000	1	106.6327	0.015	3	107.7053	1.398	11	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CO)(COO)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CO)(COO)(H){2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2C)	107.0780	0.617	3	107.0780	0.381	3	107.7053	1.398	11	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(CCO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(CCO)(H){2|H<1>,6|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	H(C[6]C[6]2C)	107.5040	0.000	1	107.5040	0.000	1	107.7053	1.398	11	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(CHO)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(CHO)(H){2|H<1>,6|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6]2C)	109.0340	0.000	1	109.0340	0.000	1	107.7053	1.398	11	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(CHO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(CHO)(H){2|H<1>,6|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	H(C[6]C[6]2C)	108.0320	0.000	1	108.0320	0.000	1	107.7053	1.398	11	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]N[6]H)(COO)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]N[6]H)(COO)(H){1|H<1>,6|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<2>,2|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6]2C)	109.5260	0.000	1	109.5260	0.000	1	107.7053	1.398	11	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]CH)(COO)(H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]CH)(COO)(H){1|S<2>,3|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2C)	109.5300	0.000	1	109.5300	0.000	1	107.7053	1.398	11	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]B[5]H)(C[6]C[5a]N[6]H)(COO)(H)	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]H)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]B[5]H)(C[6]C[5a]N[6]H)(COO)(H){1|H<1>,2|O<2>,4|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]H)(C[6]C[6]CH)(H){1|B<3>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6]2C)	108.7170	0.000	1	108.7170	0.000	1	108.7170	0.000	1	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CN)(COO)(H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CN)(COO)(H){4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6]2C)	108.7640	0.000	1	108.7640	0.000	1	108.3645	0.319	2	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(COO)(H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(COO)(H){4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2C)	107.9650	0.000	1	107.9650	0.000	1	108.3645	0.319	2	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CO)(CCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CO)(CCO)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]2C)	108.2990	0.336	4	108.2990	0.113	4	108.0274	0.454	5	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HP)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HP)(COO)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|P<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2C)	106.9410	0.000	1	106.9410	0.000	1	108.0274	0.454	5	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(COO)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(COO)(H){1|H<1>,1|O<2>,6|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	H(C[6]C[6]2C)	107.9990	0.000	1	107.9990	0.000	1	107.3047	0.400	3	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]C[6a]O)(C[6]C[6a]C[6]H)(CNS)(H)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]N[5,6]C[6a]O)(C[6]C[6a]C[6]H)(CNS)(H){1|C<4>,6|C<3>}	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|H<1>,2|N<3>,3|C<3>}	H(C[6]C[6]2C)	106.9575	0.276	2	106.9575	0.076	2	107.3047	0.400	3	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]HH)(COO)(H)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]HH)(COO)(H){1|C<4>,1|N<3>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	H(C[6]C[6]2C)	107.0890	0.000	1	107.0890	0.000	1	107.0890	0.000	1	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]N[6]H)(COO)(H)	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]N[6]H)(COO)(H){1|H<1>,6|C<3>}	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6]2C)	109.5590	0.000	1	109.5590	0.000	1	108.0867	1.350	9	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(CCO)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(CCO)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){4|C<3>,4|H<1>}	H(C[6]C[6]2C)	107.4040	0.000	1	107.4040	0.000	1	108.0867	1.350	9	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HN)(COO)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HN)(COO)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6]2C)	109.1390	0.000	1	109.1390	0.000	1	108.0867	1.350	9	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CC)(COO)(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CC)(COO)(H){2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6]2C)	107.4620	0.000	1	107.4620	0.000	1	108.0867	1.350	9	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(COO)(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(COO)(H){2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(C[6]C[6]2C)	108.5490	0.577	2	108.2767	0.389	3	108.0867	1.350	9	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(COO)(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(COO)(H){2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|Cl<1>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[6]C[6]2C)	107.7320	0.000	1	108.2767	0.389	3	108.0867	1.350	9	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[5a,6]CO)(COO)(H)	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]N[5a,6]CO)(COO)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.6390	0.000	1	107.1930	4.182	2	108.0867	1.350	9	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[5a,6]CO)(COO)(H)	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]N[5a,6]CO)(COO)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	H(C[6]C[6]2C)	105.7470	0.000	1	107.1930	4.182	2	108.0867	1.350	9	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H){1|O<1>,1|S<2>,2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]3)	107.7830	0.000	1	107.7830	0.000	1	107.7830	0.000	1	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N[6]H)(C[6]S[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6]C[6]2H)(H)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]N[6]H)(C[6]S[6]HH)(C[6]C[6]O)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6]C[6]2H)(H){1|O<1>,1|S<2>,2|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6]3)	108.1810	0.000	1	108.1810	0.000	1	108.1810	0.000	1	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>,7|C<3>}	H(C[6]C[6a]C[6]2)	107.4380	0.000	1	107.4380	0.000	1	107.4380	0.000	1	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(NOO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(NOO)(H){2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2N)	108.6810	0.000	1	108.6810	0.000	1	108.0867	0.378	3	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]HH)(NOO)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]HH)(NOO)(H){4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2N)	108.1260	0.000	1	108.1260	0.000	1	108.0867	0.378	3	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]HH)(NOO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]HH)(NOO)(H){4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|S<2>,4|C<3>,4|H<1>}	H(C[6]C[6]2N)	107.4530	0.000	1	107.4530	0.000	1	108.0867	0.378	3	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]HH)(NOO)(H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]HH)(NOO)(H){4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6]2N)	109.6990	3.400	3	109.6990	11.563	3	109.6990	11.563	3	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]CH)(NOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]CH)(NOO)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HN)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2N)	109.6080	0.243	2	109.6080	0.059	2	109.3410	0.243	3	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]HH)(NOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]2)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]HH)(NOO)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]2)(C[6]C[6]HN)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6]2N)	108.8070	0.000	1	108.8070	0.000	1	109.3410	0.243	3	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(NOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(NOO)(H){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6]2N)	107.7760	0.000	1	107.7760	0.000	1	108.0238	0.032	4	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(NOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(NOO)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	H(C[6]C[6]2N)	108.0110	0.000	1	108.1063	0.007	3	108.0238	0.032	4	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(NOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(NOO)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|Cl<1>,1|O<1>,2|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2N)	108.1540	0.003	2	108.1063	0.007	3	108.0238	0.032	4	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6,6]CC)(NCoC)(H)	C[6](C[6]C[6]N[6])(N[6]C[6,6]Co)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]N[6]H)(C[6]C[6,6]CC)(NCoC)(H){1|Co<4>,1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6]Co)(C[6]C[6]HN)(H){2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2N)	108.7230	0.000	1	108.7230	0.000	1	108.9333	0.030	4	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6,6]CC)(NCrC)(H)	C[6](C[6]C[6]N[6])(N[6]C[6,6]Cr)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]N[6]H)(C[6]C[6,6]CC)(NCrC)(H){1|Cr<4>,1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6]Cr)(C[6]C[6]HN)(H){2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2N)	109.0725	0.033	2	109.0725	0.001	2	108.9333	0.030	4	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6,6]CC)(NNiC)(H)	C[6](C[6]C[6]N[6])(N[6]C[6,6]Ni)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]N[6]H)(C[6]C[6,6]CC)(NNiC)(H){1|Ni<4>,1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6]Ni)(C[6]C[6]HN)(H){2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2N)	108.8650	0.000	1	108.8650	0.000	1	108.9333	0.030	4	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6,6]HH)(NOO)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]N[6]H)(C[6]N[6,6]HH)(NOO)(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(C[6]C[6]HN)(H){1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6]2N)	108.2460	0.000	1	108.2460	0.000	1	108.2460	0.000	1	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	N[5,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]C[5a]H)(C[6]C[6]HH)(NOO)(H)	C[6](N[5,6]C[5,6]C[5])(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]N[5,6]C[5a]H)(C[6]C[6]HH)(NOO)(H){1|C<4>,1|O<2>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[6]2N)	108.3610	0.000	1	108.3610	0.000	1	108.3610	0.000	1	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	N[6,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]C[5a]H)(C[6]C[6]HH)(NOO)(H)	C[6](N[6,6]C[6,6]C[6])(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]N[6,6]C[5a]H)(C[6]C[6]HH)(NOO)(H){1|C<4>,1|O<2>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[6]2N)	108.1230	0.000	1	108.1230	0.000	1	108.1230	0.000	1	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	N[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]CO)(NOO)(H)	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]CO)(NOO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6]2N)	108.1675	0.234	2	108.1675	0.055	2	108.1675	0.055	2	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(NOO)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(NOO)(H){1|H<1>,6|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2N)	107.8090	0.000	1	107.8090	0.000	1	108.2013	0.123	3	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(NOO)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(NOO)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){4|C<3>,4|H<1>}	H(C[6]C[6]2N)	108.4850	0.000	1	108.4850	0.000	1	108.2013	0.123	3	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H)	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2N)	108.3100	0.000	1	108.3100	0.000	1	108.2013	0.123	3	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:N[6]-4:C-3:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]HH)(COO)(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]HH)(COO)(H){2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(C[6]C[6]N[6]C)	109.4700	0.000	1	109.4700	0.000	1	109.4700	0.000	1	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:S[6]-4:C-3:H-1:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(S[6]C[6]OO)(COO)(H)	C[6](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H)	H(C[6]C[6]S[6]C)	C[6](C[6]C[5,6]C[6a]H)(S[6]C[6]OO)(COO)(H){1|H<1>,1|S<2>,4|C<3>}	C[6](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H){2|C<3>,2|H<1>,2|O<1>,3|C<4>}	H(C[6]C[6]S[6]C)	108.0950	0.004	2	108.0950	0.000	2	108.0950	0.000	2	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:S[6]-4:C-3:H-1:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(S[6]C[6]OO)(CC[6a]O)(H)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H)	H(C[6]C[6]S[6]C)	C[6](C[6]N[5,6]C[6a]H)(S[6]C[6]OO)(CC[6a]O)(H){3|C<3>,3|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H){2|C<3>,2|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6]S[6]C)	108.8310	0.000	1	108.8310	0.000	1	108.5400	0.084	3	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:1:	4:	C[6]-4:S[6]-4:C-3:H-1:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(S[6]C[6]OO)(COO)(H)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H)	H(C[6]C[6]S[6]C)	C[6](C[6]N[5,6]C[6a]H)(S[6]C[6]OO)(COO)(H){3|C<3>,3|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H){2|C<3>,2|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6]S[6]C)	108.3945	0.200	2	108.3945	0.040	2	108.5400	0.084	3	108.1981	1.160	68	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]HH)(CCO)(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]CH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]HH)(CCO)(H){1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]CH)(OH){4|C<3>,4|H<1>}	H(C[6]C[6]2C)	107.9380	0.000	1	107.9380	0.000	1	108.2300	0.088	4	107.7194	0.510	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]HH)(CC[6a]O)(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]CH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]HH)(CC[6a]O)(H){1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]CH)(OH){4|C<3>,4|H<1>}	H(C[6]C[6]2C)	108.1925	0.204	2	108.1925	0.042	2	108.2300	0.088	4	107.7194	0.510	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]HH)(COO)(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]CH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]HH)(COO)(H){1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]CH)(OH){4|C<3>,4|H<1>}	H(C[6]C[6]2C)	108.5970	0.000	1	108.5970	0.000	1	108.2300	0.088	4	107.7194	0.510	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	N[5,6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]N[5,6]C[6a]O)(C[6]C[6a]C[6]H)(CNS)(H)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(OH)	H(C[6]C[6]2C)	C[6](C[6]N[5,6]C[6a]O)(C[6]C[6a]C[6]H)(CNS)(H){1|C<4>,6|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(OH){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	H(C[6]C[6]2C)	107.0045	0.251	2	107.0045	0.063	2	107.0045	0.063	2	107.7194	0.510	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:2:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[6,6a]2C)(C[6]C[6]BrH)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(CN)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]2C)(C[6]C[6]BrH)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(CN){1|Br<1>,2|C<4>,4|H<1>,5|C<3>}	H(C[6]C[6]3)	108.1160	0.000	1	108.1160	0.000	1	108.1160	0.000	1	107.7194	0.510	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:3:4:2:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]2O)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]N[6]H)(OSi)	H(C[6]C[6]2N[6])	C[6](C[6]C[6,6a]2O)(C[6]C[6]HH)(N[6]C[6]C)(H){1|N<3>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]N[6]H)(OSi){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	H(C[6]C[6]2N[6])	106.7100	0.000	1	106.7100	0.000	1	106.7100	0.000	1	107.7194	0.510	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]HH)(CC[6a]O)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]HH)(CC[6a]O)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(H)2{1|C<4>,5|C<3>}	H(C[6]C[5,6]C[6]C)	107.6308	0.321	4	107.6308	0.103	4	107.6308	0.103	4	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(COO)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(COO)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]C)	108.8415	0.185	2	108.8415	0.034	2	108.8415	0.034	2	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]HH)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]HH)(COO)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(H)2{1|C<4>,1|N<3>,4|C<3>}	H(C[6]C[5,6]C[6]C)	106.3233	1.237	3	106.3233	1.529	3	106.3233	1.529	3	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(COO)(H){1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[5,6]CH)(H)2{1|C<4>,5|C<3>}	H(C[6]C[5,6]C[6]C)	106.7640	0.000	1	106.7640	0.000	1	106.9563	0.068	3	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CC[6a]O)(H)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CC[6a]O)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5,6]CH)(H)2{1|C<4>,5|C<3>}	H(C[6]C[5,6]C[6]C)	107.2530	0.000	1	107.2530	0.000	1	106.9563	0.068	3	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H){1|N<3>,2|O<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5,6]CH)(H)2{1|H<1>,5|C<3>}	H(C[6]C[5,6]C[6]C)	106.8520	0.000	1	106.8520	0.000	1	106.9563	0.068	3	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6,6]HH)(COO)(H)	C[6](N[6,6]C[6,6]S[6])(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6,6]HH)(COO)(H){1|H<1>,1|N<3>,1|O<1>,1|S<4>,3|C<3>}	C[6](N[6,6]C[6,6]S[6])(C[6]C[5,6]CH)(H)2{1|O<2>,2|O<1>,4|C<3>}	H(C[6]C[5,6]C[6]C)	108.4875	0.006	2	108.4875	0.000	2	108.4875	0.000	2	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]C[5]N[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5]H)(H)2	H(C[6]C[5,6]C[5]C[6])	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]C[5]N[5])(H){2|H<1>,4|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5]H)(H)2{1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[5]C[6])	108.9450	0.000	1	108.9450	0.000	1	108.9450	0.000	1	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(C[6a]C[6a]2)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(H)2{1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[5,6]C[6a]C[6])	105.6160	0.000	1	105.6160	0.000	1	105.5527	1.629	3	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]HH)(C[6a]C[6a]2)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|N<3>,3|H<1>,6|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(H)2{1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[5,6]C[6a]C[6])	105.5210	1.803	2	105.5210	3.251	2	105.5527	1.629	3	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)2{1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.6340	0.000	1	106.6340	0.000	1	106.6340	0.000	1	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(CHN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(CHN)(H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	106.8480	0.000	1	106.8480	0.000	1	109.1250	10.995	4	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(CHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(CHO)(H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	106.5440	0.000	1	106.5440	0.000	1	109.1250	10.995	4	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(CN[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(CN[5]O)(H){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]C)	111.5540	3.056	2	111.5540	9.340	2	109.1250	10.995	4	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCO)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	108.9280	0.000	1	108.9280	0.000	1	108.9280	0.000	1	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)2{1|C<4>,1|H<1>,1|N<3>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.6850	0.000	1	107.6850	0.000	1	107.6850	0.000	1	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(NOO)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]HN)(H)2	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]HN)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]N)	110.0655	1.631	2	110.0655	2.661	2	110.0655	2.661	2	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(C[6a]C[6a]2)(H){2|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)2{1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.1160	0.000	1	107.1160	0.000	1	107.1160	0.000	1	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:B[5]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(B[5]O[5]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]B[5]C[6]H)(H)2	H(C[6]B[5]C[6]2)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(B[5]O[5]2)(H){2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]B[5]C[6]H)(H)2{1|N<3>,2|H<1>,2|O<2>,3|C<3>}	H(C[6]B[5]C[6]2)	108.4160	0.355	2	108.4160	0.126	2	108.4160	0.126	2	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)(H)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.4760	0.000	1	108.4760	0.000	1	108.1637	0.084	3	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.0075	0.146	2	108.0075	0.021	2	108.1637	0.084	3	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)(H){1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	106.4320	0.000	1	106.4320	0.000	1	106.4320	0.000	1	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]Br2)(COO)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]Br2)(COO)(H){1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{2|Br<1>,1|C<3>,3|O<2>}	H(C[6]C[6]2C)	109.4470	0.000	1	109.4470	0.000	1	107.7016	1.150	7	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2C)	107.5070	0.482	2	107.6003	0.094	4	107.7016	1.150	7	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[6]2C)	107.6935	0.115	2	107.6003	0.094	4	107.7016	1.150	7	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2C)	107.0315	1.623	2	107.0315	2.634	2	107.7016	1.150	7	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	109.5780	0.000	1	108.8330	1.110	2	107.9332	1.039	10	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.0880	0.000	1	108.8330	1.110	2	107.9332	1.039	10	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CCH)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.1800	0.000	1	108.1800	0.000	1	107.9332	1.039	10	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(COO)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.4030	0.000	1	107.4030	0.000	1	107.9332	1.039	10	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(CCC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(CCC)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2C)	105.6420	0.000	1	105.6420	0.000	1	107.9332	1.039	10	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]HH)(CCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]HH)(CCO)(H){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6]2C)	107.9860	0.000	1	107.9860	0.000	1	107.9332	1.039	10	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]HH)(CC[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]HH)(CC[6a]O)(H){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6]2C)	108.2125	0.233	2	108.2125	0.054	2	107.9332	1.039	10	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]HH)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]HH)(COO)(H){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6]2C)	108.6500	0.000	1	108.6500	0.000	1	107.9332	1.039	10	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(CCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(CCO)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	107.3800	0.000	1	107.3800	0.000	1	107.9332	1.039	10	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:Br-1:Br-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]Br2)(COO)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(Br)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]Br2)(COO)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(Br)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	109.3910	0.000	1	109.3910	0.000	1	109.3910	0.000	1	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCC)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.9500	0.000	2	106.9500	0.000	2	107.6319	0.911	22	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCC)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.5465	0.139	4	107.5465	0.019	4	107.6319	0.911	22	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CN[5]O)(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CN[5]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2C)	108.7760	0.000	1	108.7760	0.000	1	107.6319	0.911	22	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2C)	109.5500	0.000	1	109.5500	0.000	1	107.6319	0.911	22	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	107.6230	0.000	1	107.6230	0.000	1	107.6319	0.911	22	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)(H)	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.4830	0.000	1	107.4830	0.000	1	107.6319	0.911	22	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)(H){1|O<1>,2|C<3>}	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2C)	106.4110	0.000	1	106.4110	0.000	1	107.6319	0.911	22	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2{4|C<4>}	H(C[6]C[6]2C)	105.4740	0.000	1	105.4740	0.000	1	107.6319	0.911	22	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6,6]N)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6,6]N)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.2080	0.440	2	107.2080	0.193	2	107.6319	0.911	22	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.2180	0.000	1	107.0040	0.092	2	107.6319	0.911	22	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.7900	0.000	1	107.0040	0.092	2	107.6319	0.911	22	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.1100	0.000	1	108.1100	0.000	1	107.6319	0.911	22	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CC[6a]O)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CC[6a]O)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2C)	108.9410	0.000	1	108.9410	0.000	1	107.6319	0.911	22	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCC)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.2090	0.000	2	108.2090	0.000	2	107.6319	0.911	22	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[5,6]N)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]HH)(COO)(H){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6]C[5,6]N)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,2|N<3>}	H(C[6]C[6]2C)	107.3010	0.000	1	107.3010	0.000	1	107.6319	0.911	22	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CC[6a]O)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CC[6a]O)(H){3|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(H)2{1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2C)	109.3050	0.000	1	109.3050	0.000	1	107.6319	0.911	22	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CC[6a]O)(H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CC[6a]O)(H){3|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2{1|S<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	109.3420	0.000	1	109.3420	0.000	1	109.3420	0.000	1	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CHO)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CHO)(H){2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.9970	0.000	1	107.9970	0.000	1	107.9970	0.000	1	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(CCC)(H)	C[6](N[6]C[6,6a]S)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(CCC)(H){1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]S)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	106.5895	0.317	2	106.5895	0.101	2	107.2350	0.461	5	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CCH)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CCH)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.1500	0.000	1	108.1500	0.000	1	107.2350	0.461	5	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(COO)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(COO)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.4000	0.000	1	107.4000	0.000	1	107.2350	0.461	5	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]N[6]HH)(CC[6a]C)(H)	C[6](N[6]C[6,6a]S)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HO)(C[6]N[6]HH)(CC[6a]C)(H){1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]S)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2C)	107.4460	0.000	1	107.4460	0.000	1	107.2350	0.461	5	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)(H)2{2|C<2>,2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.3630	0.000	1	107.3630	0.000	1	107.3630	0.000	1	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NCH)(H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NCH)(H){3|C<3>}	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HN)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2N)	108.5235	0.118	2	108.5235	0.014	2	107.5182	1.040	5	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NCS)(H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NCS)(H){3|C<3>}	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HN)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2N)	106.1390	0.000	1	106.1390	0.000	1	107.5182	1.040	5	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NOO)(H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NOO)(H){3|C<3>}	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2N)	107.3140	0.000	1	107.3140	0.000	1	107.5182	1.040	5	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(NCS)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(NCS)(H){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2N)	107.0910	0.000	1	107.0910	0.000	1	107.5182	1.040	5	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[5a,6]-3:C[6]-4:H-1:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(NOO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(H)(O)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(NOO)(H){1|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(H)(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]2N)	104.9510	0.000	1	104.9510	0.000	1	104.9510	0.000	1	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2N)	107.2117	0.883	3	107.2117	0.780	3	107.2117	0.780	3	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NCC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NCC)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2N)	108.6330	0.000	1	108.6330	0.000	1	108.7610	3.948	7	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NCH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2N)	107.7430	0.000	1	107.7430	0.000	1	108.7610	3.948	7	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NC[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NC[6]H)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2N)	112.2850	0.000	1	112.2850	0.000	1	108.7610	3.948	7	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(NHS)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(NHS)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2N)	109.4460	0.000	1	109.4460	0.000	1	108.7610	3.948	7	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(NC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(NC[6a]H)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2N)	109.0540	0.000	1	109.0540	0.000	1	108.7610	3.948	7	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(NOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(NOO)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2N)	108.5030	0.000	1	108.5030	0.000	1	108.7610	3.948	7	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(NOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(NOO)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2N)	105.6630	0.000	1	105.6630	0.000	1	108.7610	3.948	7	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]C[5a]H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]N[5,6]C[5a]H)(C[6]C[6]HH)(NOO)(H){1|C<4>,1|O<2>,3|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]HN)(H)2{1|C<3>,1|H<1>,2|N<3>}	H(C[6]C[6]2N)	108.2910	0.000	1	108.2910	0.000	1	108.2320	0.007	2	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]C[5a]H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]N[6,6]C[5a]H)(C[6]C[6]HH)(NOO)(H){1|C<4>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]C)(C[6]C[6]HN)(H)2{1|C<3>,1|H<1>,2|N<3>}	H(C[6]C[6]2N)	108.1730	0.000	1	108.1730	0.000	1	108.2320	0.007	2	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(NCH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(NCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	108.7445	1.010	2	108.7445	1.021	2	108.5193	0.663	3	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(NCH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(NCH)(H){1|C<3>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6]2N)	108.0690	0.000	1	108.0690	0.000	1	108.5193	0.663	3	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6,6]HH)(NOO)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6a]N[6]H)(C[6]N[6,6]HH)(NOO)(H){1|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2N)	108.1620	0.000	1	108.1620	0.000	1	108.3850	0.099	2	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]CO)(NOO)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]N[6,6]HH)(C[6]C[6]CO)(NOO)(H){2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6]2N)	108.6080	0.000	1	108.6080	0.000	1	108.3850	0.099	2	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]2)(C[6]N[6]HH)(NC[6a]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]C[6a]2)(C[6]N[6]HH)(NC[6a]H)(H){1|H<1>,6|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HN)(H)2{4|C<3>}	H(C[6]C[6]2N)	108.1020	0.000	1	108.1020	0.000	1	108.3878	0.251	9	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(NHS)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(NHS)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HN)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2N)	109.4120	0.000	1	109.4120	0.000	1	108.3878	0.251	9	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NC[6a]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NC[6a]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2N)	109.0500	0.000	1	109.0500	0.000	1	108.3878	0.251	9	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NHH)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2N)	108.1736	0.156	5	108.1736	0.024	5	108.3878	0.251	9	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(NCH)(H)	C[6](N[6]C[5,6]C)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(NCH)(H){1|C<3>,2|C<4>}	C[6](N[6]C[5,6]C)(C[6]C[6]HN)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	108.0580	0.000	1	108.0580	0.000	1	108.3878	0.251	9	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N[5]H)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N[5]H)(H)2{3|H<1>,6|C<4>}	H(C[6]C[6]2N[5])	108.3400	0.242	2	108.3400	0.058	2	108.3400	0.058	2	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(N[6]S[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(N[6]S[6]H)(H){2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2N[6])	107.4010	1.185	2	107.4010	1.404	2	107.4010	1.404	2	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:Si-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(SiCC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SiH)(H)2	H(C[6]C[6]2Si)	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(SiCC)(H){1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SiH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2Si)	107.9340	0.000	1	107.9340	0.000	1	107.9340	0.000	1	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:N[6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(COO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(COO)(H){1|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]C)	106.5990	0.000	1	106.5990	0.000	1	107.3475	1.121	2	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:N[6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(COO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	108.0960	0.000	1	108.0960	0.000	1	107.3475	1.121	2	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:N[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]CH)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6]CH)(COO)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	106.8250	0.000	1	106.8250	0.000	1	108.4257	1.922	3	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:N[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(COO)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	109.2260	0.000	2	109.2260	0.000	2	108.4257	1.922	3	107.8706	1.644	124	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CC[6a]C)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(CC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CC[6a]C)(H){2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(CC)(H){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	107.7477	0.316	3	107.7477	0.100	3	107.7477	0.100	3	107.7386	3.378	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5]N[6]H)(C[6]C[6,6a]HO)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5]N[6]H)(C[6]C[6,6a]HO)(COO)(H){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.1760	0.000	1	108.1760	0.000	1	107.8781	1.629	11	107.7386	3.378	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5a]S[6]C)(C[6]C[6,6a]HO)(CC[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a]S[6]C)(C[6]C[6,6a]HO)(CC[6a]O)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	H(C[6]C[6]2C)	107.0765	0.162	2	107.0765	0.026	2	107.8781	1.629	11	107.7386	3.378	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]CC)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CC)(CCH)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2C)	107.2100	0.606	3	107.2100	0.367	3	107.8781	1.629	11	107.7386	3.378	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CC[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CC[6a]O)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){3|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.9470	0.000	1	108.9470	0.000	1	107.8781	1.629	11	107.7386	3.378	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]N[6]HH)(CC[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HO)(C[6]N[6]HH)(CC[6a]C)(H){1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.4860	0.000	1	107.4860	0.000	1	107.8781	1.629	11	107.7386	3.378	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]O[6]HH)(CCC)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HO)(C[6]O[6]HH)(CCC)(H){2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(OH)(H){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	106.3080	0.000	1	106.3080	0.000	1	107.8781	1.629	11	107.7386	3.378	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(CN[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(CN[5]O)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|S<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	109.9795	0.473	2	109.9795	0.224	2	107.8781	1.629	11	107.7386	3.378	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6,6])(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(COO)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6,6])(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2C)	107.4950	0.000	1	107.4950	0.000	1	108.4172	0.561	5	107.7386	3.378	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CCC)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2C)	108.2240	0.000	1	108.1200	0.022	2	108.4172	0.561	5	107.7386	3.378	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CCC)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2C)	108.0160	0.000	1	108.1200	0.022	2	108.4172	0.561	5	107.7386	3.378	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CNO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CNO)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2C)	109.0270	0.000	1	109.0270	0.000	1	108.4172	0.561	5	107.7386	3.378	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(COO)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2C)	109.3240	0.000	1	109.3240	0.000	1	108.4172	0.561	5	107.7386	3.378	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]S[6]H)(C[6]C[6]CC)(CC[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(S[6]C[6])(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]S[6]H)(C[6]C[6]CC)(CC[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(S[6]C[6])(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2C)	105.8710	0.000	1	105.8710	0.000	1	106.7775	1.643	2	107.7386	3.378	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]S[6]H)(C[6]C[6]HH)(CCC)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(S[6]C[6])(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]S[6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(S[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2C)	107.6840	0.000	1	107.6840	0.000	1	106.7775	1.643	2	107.7386	3.378	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	N[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(CCO)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(CCO)(H){5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(OC)(H){2|H<1>,4|C<3>}	H(C[6]C[6]2C)	107.8090	0.000	1	107.8090	0.000	1	107.8090	0.000	1	107.7386	3.378	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(OH)(H)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]HO)(C[6]C[6]2H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(OH)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]3)	106.7200	0.000	1	106.7200	0.000	1	106.7200	0.000	1	107.7386	3.378	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[5a]O[6]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(O[6]C[6,6a])(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a]O[6]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,5|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(O[6]C[6,6a])(H){1|C<4>,2|H<1>,7|C<3>}	H(C[6]C[6a]C[6]2)	107.6745	0.070	2	107.6745	0.005	2	107.3697	0.281	3	107.7386	3.378	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[5a]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6a]C[6]H)(O[6]C[6,6a])(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[5a]O[6]H)(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6a]C[6]H)(O[6]C[6,6a])(H){1|N<3>,2|H<1>,7|C<3>}	H(C[6]C[6a]C[6]2)	106.7600	0.000	1	106.7600	0.000	1	107.3697	0.281	3	107.7386	3.378	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6a]C[6]H)(O[6]C[6,6a])(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6a]C[6]H)(O[6]C[6,6a])(H){1|H<1>,1|O<2>,8|C<3>}	H(C[6]C[6a]C[6]2)	107.2910	0.102	3	107.2910	0.010	3	107.2910	0.010	3	107.7386	3.378	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(NOO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(NOO)(H){1|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(OH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]2N)	109.3830	0.000	1	109.3830	0.000	1	109.3830	0.000	1	107.7386	3.378	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(NOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(NOO)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2N)	109.1990	0.694	2	110.1388	4.676	4	110.1388	4.676	4	107.7386	3.378	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(NOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(NOO)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H){1|S<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2N)	111.0785	3.164	2	110.1388	4.676	4	110.1388	4.676	4	107.7386	3.378	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2N)	107.9300	0.049	2	107.9300	0.002	2	105.9250	8.970	6	107.7386	3.378	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H){1|C<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6]2N)	100.1780	0.000	1	104.9225	10.929	4	105.9250	8.970	6	107.7386	3.378	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H){1|C<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.5040	1.178	3	104.9225	10.929	4	105.9250	8.970	6	107.7386	3.378	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:2:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:C-2:C-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CN)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CN)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	107.9160	0.000	1	107.9160	0.000	1	107.9160	0.000	1	107.9160	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[3,6]-4:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6a]C[6a]H)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(C[6a]C[6a]2)(H)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6a]C[6a]H)(COO)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[3,6]C[6]C)	107.9420	0.000	1	107.9420	0.000	1	107.9420	0.000	1	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[3,6]-4:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C[6a]H)(CC[6a]O)(H)	H(C[6]C[3,6]C[6a]C[6])	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H){1|S<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C[6a]H)(CC[6a]O)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[3,6]C[6a]C[6])	108.0970	0.000	1	108.0970	0.000	1	108.0970	0.000	1	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]CH)(CC[6a]O)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(COO)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]CH)(CC[6a]O)(H){1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(COO)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]C)	107.8440	0.000	1	107.8440	0.000	1	107.1485	0.967	2	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]CH)(COO)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(COO)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]CH)(COO)(H){1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(COO)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]C)	106.4530	0.000	1	106.4530	0.000	1	107.1485	0.967	2	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[5a,6]CH)(C[6a]C[6a]2)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(COO)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[5a,6]CH)(C[6a]C[6a]2)(H){1|N<3>,2|O<1>,3|H<1>,6|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(COO)(H){1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.0487	0.220	3	106.0487	0.048	3	106.0487	0.048	3	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(COO)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H){2|H<1>,3|O<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(COO)(H){1|H<1>,7|C<3>}	H(C[6]C[5,6]C[6a]C[6])	105.9410	0.000	1	105.9410	0.000	1	105.9410	0.000	1	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C[6a]H)(COO)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]CH)(C[6a]C[6a]2)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C[6a]H)(COO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]CH)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]C)	104.2420	0.000	1	104.2420	0.000	1	104.2420	0.000	1	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(CC[6a]O)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(CC[6a]O)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.4110	0.000	1	107.4110	0.000	1	107.4110	0.000	1	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:B[5]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(B[5]O[5]2)(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]B[5]C[6]H)(N[6]C[6,6a]C)(H)	H(C[6]B[5]C[6]2)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(B[5]O[5]2)(H){2|C<4>,5|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]B[5]C[6]H)(N[6]C[6,6a]C)(H){2|O<2>,3|H<1>,5|C<3>}	H(C[6]B[5]C[6]2)	108.7000	0.000	1	108.7000	0.000	1	108.7000	0.000	1	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CC)(CHO)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CC)(CHO)(H){3|C<3>,3|H<1>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	H(C[6]C[6]2C)	107.7260	0.000	1	107.7260	0.000	1	107.3668	0.136	5	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CCC)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CCC)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]O)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.4280	0.000	1	107.1327	0.065	3	107.3668	0.136	5	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CCC)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CCC)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	106.9850	0.000	2	107.1327	0.065	3	107.3668	0.136	5	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)2(CCC)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a]C[6]H)2(CCC)(H){2|N<3>,3|C<3>,3|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CH)(C[6]C[6]H)(H){1|H<1>,1|S<4>,3|C<3>,3|C<4>}	H(C[6]C[6]2C)	107.7100	0.000	1	107.7100	0.000	1	107.3668	0.136	5	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:B[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]B[5]H)(C[6]C[5a]N[6]H)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(B[5]O[5]2)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]B[5]H)(C[6]C[5a]N[6]H)(COO)(H){1|H<1>,2|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(B[5]O[5]2)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	108.7030	0.000	1	108.7030	0.000	1	108.7030	0.000	1	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CCH)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H){1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.1620	0.000	1	108.1620	0.000	1	107.4772	4.784	4	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CCH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(NN[5]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CCH)(H){2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(NN[5]C)(H){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	104.2730	0.000	1	104.2730	0.000	1	107.4772	4.784	4	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHP)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CCO)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHP)(H){1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.2670	0.000	1	108.2670	0.000	1	107.4772	4.784	4	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HN)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NC[6a]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HN)(COO)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NC[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	109.2070	0.000	1	109.2070	0.000	1	107.4772	4.784	4	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCH)(H)	C[6](C[6]N[6,6]O)(C[6]C[6]CH)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]CH)(COO)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.9450	0.000	1	107.9450	0.000	1	107.9450	0.000	1	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(CCH)(H)	C[6](C[6]C[5,6]C[6])(C[6]C[6]CH)(C[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(CCH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]CH)(C[6]C[6]C)(H){2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2C)	107.3010	0.000	1	107.3010	0.000	1	106.2300	2.294	2	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]2)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCC)(H){1|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]2)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2C)	105.1590	0.000	1	105.1590	0.000	1	106.2300	2.294	2	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CN[5]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CN[5]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2C)	110.8230	0.000	1	110.8230	0.000	1	107.9959	0.888	15	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)(H){1|H<1>,2|C<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2C)	109.1680	0.000	1	109.1680	0.000	1	107.9959	0.888	15	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(CCO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(CCO)(H){2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.7880	0.000	1	107.7880	0.000	1	107.9959	0.888	15	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(H){2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.1480	0.000	1	108.1480	0.000	1	107.9959	0.888	15	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCC)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCC)(H){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2C)	107.5670	0.276	2	107.5670	0.076	2	107.9959	0.888	15	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHO)(H){2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.7800	0.000	1	106.7800	0.000	1	107.9959	0.888	15	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(COO)(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(COO)(H){1|C<4>,4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.1675	0.162	2	107.9653	0.136	3	107.9959	0.888	15	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(COO)(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(COO)(H){1|C<4>,4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]C)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.5610	0.000	1	107.9653	0.136	3	107.9959	0.888	15	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(COO)(H){1|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2C)	107.8460	0.000	1	107.8460	0.000	1	107.9959	0.888	15	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(CCO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(CCO)(H){5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2C)	107.7960	0.000	1	107.7960	0.000	1	107.9959	0.888	15	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)2(CCO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)2(CCO)(H){3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.4720	0.000	1	107.4720	0.000	1	107.9959	0.888	15	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)2(CC[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)2(CC[6a]O)(H){3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.7160	0.000	1	107.7160	0.000	1	107.9959	0.888	15	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)2(CHO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)2(CHO)(H){2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.3710	0.000	1	107.3710	0.000	1	107.9959	0.888	15	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(CHO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]O[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(CHO)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]O[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.6890	0.000	1	107.6890	0.000	1	108.1970	0.621	24	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2C)	107.0310	0.000	1	107.0310	0.000	1	108.1970	0.621	24	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2C)	106.8930	0.000	1	106.9815	0.016	2	108.1970	0.621	24	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2C)	107.0700	0.000	1	106.9815	0.016	2	108.1970	0.621	24	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(COO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2C)	107.9180	0.476	4	107.9180	0.227	4	108.1970	0.621	24	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HO)(CCH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HO)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6]2C)	107.0290	0.000	1	107.0290	0.000	1	108.1970	0.621	24	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(CC[5a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(CC[5a]O)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	108.4800	0.000	1	108.3880	0.142	6	108.1970	0.621	24	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(CC[5a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(CC[5a]O)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.3696	0.418	5	108.3880	0.142	6	108.1970	0.621	24	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(CC[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(CC[6a]O)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.3035	0.046	2	108.3035	0.002	2	108.1970	0.621	24	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(COO)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	H(C[6]C[6]2C)	109.2360	0.000	1	108.9157	0.462	7	108.1970	0.621	24	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(COO)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|O<2>}	H(C[6]C[6]2C)	107.7050	0.000	1	108.9157	0.462	7	108.1970	0.621	24	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(COO)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>,2|O<2>}	H(C[6]C[6]2C)	109.5060	0.000	1	108.9157	0.462	7	108.1970	0.621	24	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(COO)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.9153	0.618	3	108.9157	0.462	7	108.1970	0.621	24	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(COO)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,1|S<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	109.2170	0.000	1	108.9157	0.462	7	108.1970	0.621	24	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	N[6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCO)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCO)(H){2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(COO)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.2740	0.349	2	107.2740	0.122	2	107.2740	0.122	2	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C[5]-3:H-1:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[4,6]C[6a]H)(C[6]N[5,6]C[6a]H)(C[5]C[5]N[5])(H)	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H)	H(C[6]C[5]C[6]2)	C[6](C[6]C[4,6]C[6a]H)(C[6]N[5,6]C[6a]H)(C[5]C[5]N[5])(H){1|H<1>,3|C<4>,8|C<3>}	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|N<2>,3|C<4>,3|H<1>,6|C<3>}	H(C[6]C[5]C[6]2)	107.7183	1.271	3	107.7183	1.614	3	107.7183	1.614	3	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(NCH)(H)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]HN)(C[6]C[6]2H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(NCH)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]3)	105.5405	0.194	2	105.5405	0.038	2	105.5405	0.038	2	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5a]O[6]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a]O[6]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCH)(H){1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.6920	0.055	2	107.6920	0.003	2	107.6190	0.018	3	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.4730	0.000	1	107.4730	0.000	1	107.6190	0.018	3	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[5a]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[5a]O[6]H)(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,7|C<3>}	H(C[6]C[6a]C[6]2)	106.7170	0.000	1	106.7170	0.000	1	107.2672	0.125	5	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,7|C<3>}	H(C[6]C[6a]C[6]2)	107.4048	0.200	4	107.4048	0.040	4	107.2672	0.125	5	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NCH)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HN)(CCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NCH)(H){3|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HN)(CCH)(H){3|C<3>,3|H<1>}	H(C[6]C[6]2N)	108.5090	0.071	2	108.5090	0.005	2	107.7367	1.792	3	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NCS)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HN)(CCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NCS)(H){3|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HN)(CCH)(H){3|C<3>,3|H<1>}	H(C[6]C[6]2N)	106.1920	0.000	1	106.1920	0.000	1	107.7367	1.792	3	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HN)(NOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NHS)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HN)(NOO)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NHS)(H){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2N)	109.1270	0.000	1	109.1270	0.000	1	109.1270	0.000	1	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-3:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N[5]H)(NOO)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HN)(N[5]C[5]2)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N[5]H)(NOO)(H){1|H<1>,3|C<4>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HN)(N[5]C[5]2)(H){3|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6]2N)	109.4200	0.000	1	109.4200	0.000	1	109.4200	0.000	1	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]H)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(NOO)(H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2N)	109.4370	0.000	1	109.4370	0.000	1	107.9023	0.339	10	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(NOO)(H){1|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2N)	107.5090	0.000	1	107.5090	0.000	1	107.9023	0.339	10	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)2(NOO)(H){1|H<1>,7|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2N)	107.9120	0.000	1	107.7596	0.054	8	107.9023	0.339	10	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)2(NOO)(H){2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2N)	107.8186	0.226	5	107.7596	0.054	8	107.9023	0.339	10	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)2(NOO)(H){3|C<2>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6]2N)	107.5360	0.181	2	107.7596	0.054	8	107.9023	0.339	10	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]H)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(NOO)(H){1|F<1>,1|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2N)	110.2440	0.000	1	110.2440	0.000	1	108.0354	0.975	17	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]O[6]S)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(NOO)(H){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]O[6]S)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2N)	108.0640	0.000	1	108.0640	0.000	1	108.0354	0.975	17	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CO)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]2)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CO)(NOO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]2)(H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6]2N)	107.8020	0.000	1	107.8020	0.000	1	108.0354	0.975	17	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CO)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CO)(NOO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.4764	0.197	10	107.4764	0.039	10	108.0354	0.975	17	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NCH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]H)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2N)	108.6560	0.000	1	108.6560	0.000	1	108.0354	0.975	17	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2N)	108.2270	0.262	2	108.2270	0.068	2	108.0354	0.975	17	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]H)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2N)	110.6180	0.000	1	110.6180	0.000	1	108.0354	0.975	17	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:S[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(S[6]C[6]OO)(CC[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]S[6]CH)(N[6]C[6]H)(H)	H(C[6]C[6]S[6]C)	C[6](C[6]C[6a]N[6]H)(S[6]C[6]OO)(CC[6a]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]S[6]CH)(N[6]C[6]H)(H){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]S[6]C)	113.9660	0.000	1	113.9660	0.000	1	109.5587	5.694	7	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:S[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(S[6]C[6]OO)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]S[6]CH)(N[6]C[6]H)(H)	H(C[6]C[6]S[6]C)	C[6](C[6]C[6a]N[6]H)(S[6]C[6]OO)(COO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]S[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	H(C[6]C[6]S[6]C)	108.1310	0.000	1	109.8105	5.641	2	109.5587	5.694	7	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:S[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(S[6]C[6]OO)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]S[6]CH)(N[6]C[6]H)(H)	H(C[6]C[6]S[6]C)	C[6](C[6]C[6a]N[6]H)(S[6]C[6]OO)(COO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]S[6]CH)(N[6]C[6]H)(H){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]S[6]C)	111.4900	0.000	1	109.8105	5.641	2	109.5587	5.694	7	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:1:	4:	C[6]-4:S[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(S[6]C[6]OO)(COO)(H)	C[6](C[6a]C[6a]N[6a])(C[6]S[6]CH)(N[6]C[6]H)(H)	H(C[6]C[6]S[6]C)	C[6](C[6]C[6a]N[6]H)(S[6]C[6]OO)(COO)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]S[6]CH)(N[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	H(C[6]C[6]S[6]C)	108.3310	0.991	4	108.3310	0.982	4	109.5587	5.694	7	107.8595	1.578	117	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HO)(CCH)(H)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]O)(CN)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HO)(CCH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]O)(CN){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.3480	0.656	2	107.3480	0.431	2	107.3480	0.431	2	107.2368	0.520	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6]O)(CC[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6]O)(CC[6a]O)(H){3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(OH){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2C)	106.6455	0.071	2	106.6455	0.005	2	107.1627	0.805	3	107.2368	0.520	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CH)(CC[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CH)(CC[6a]O)(H){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(OH){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.1970	0.000	1	108.1970	0.000	1	107.1627	0.805	3	107.2368	0.520	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:3:4:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(CHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(CHH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3){3|C<3>,5|H<1>}	H(C[6]C[6]2C)	110.2230	0.000	1	110.2230	0.000	1	110.2230	0.000	1	110.2230	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]CH)(CC[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(CCHH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]CH)(CC[6a]O)(H){1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]C)	108.1860	0.000	1	108.1860	0.000	1	108.1860	0.000	1	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]CH)(COO)(H)	C[6](C[6]C[5,6]C[5a])(C[6]C[5,6]CH)(CH3)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]CH)(COO)(H){1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[6](C[6]C[5,6]C[5a])(C[6]C[5,6]CH)(CH3)(H){1|C<4>,1|S<2>,4|C<3>}	H(C[6]C[5,6]C[6]C)	106.7090	0.000	1	106.7090	0.000	1	106.7090	0.000	1	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5a,6]-3:C[6]-4:C[5]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]C[5]H)(C[6a]C[6a]2)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(C[5]C[5]2H)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(C[5]C[5]2H)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>,5|C<3>}	H(C[6]C[5,6]C[6a]C[6])	105.9810	0.000	1	105.9810	0.000	1	105.9810	0.000	1	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CH3)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CH3)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.8390	0.000	1	106.8390	0.000	1	106.8390	0.000	1	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]N[5,3x6]C[6,6a]H)(C[6]N[6]CH)(COO)(H)	C[6](N[6]C[5,5,3x6]H)(C[6]C[6,6]CH)(CH3)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]N[5,3x6]C[6,6a]H)(C[6]N[6]CH)(COO)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[5,5,3x6]H)(C[6]C[6,6]CH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[6]C[6,6]C[6]C)	107.6130	0.000	1	107.6130	0.000	1	107.6130	0.000	1	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[5]C[5]2H)(C[6]O[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CCHH)(H)	H(C[6]C[5]C[6]2)	C[6](C[6]C[6,6a]CH)(C[5]C[5]2H)(C[6]O[6]O)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CCHH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5]C[6]2)	108.2506	0.351	5	108.2506	0.123	5	108.2506	0.123	5	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(COW)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(COW)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.1200	0.000	1	107.1200	0.000	1	107.0368	0.716	5	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CO)(COO)(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CO)(COO)(H){1|S<2>,2|C<3>,4|H<1>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2C)	107.9140	0.000	1	107.9140	0.000	1	107.0368	0.716	5	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(COO)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(COO)(H){1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[5a]N[5a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.2070	0.472	2	106.2070	0.223	2	107.0368	0.716	5	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)2(CCC)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a]C[6]H)2(CCC)(H){2|N<3>,3|C<3>,3|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	H(C[6]C[6]2C)	107.7360	0.000	1	107.7360	0.000	1	107.0368	0.716	5	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(CCC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(CCC)(H){1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H){1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	106.5955	0.330	2	106.5955	0.109	2	106.5955	0.109	2	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(CCH)(H)	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(CC[5a]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(CC[5a]HH)(H){1|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.4110	0.000	2	106.4110	0.000	2	106.3422	0.580	5	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){2|C<3>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]CH)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.8490	0.000	1	106.8490	0.000	1	106.3422	0.580	5	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CCO)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(CCO)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]2C)	105.0590	0.000	1	105.0590	0.000	1	106.3422	0.580	5	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CC[6a]O)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(CC[6a]O)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]2C)	106.9810	0.000	1	106.9810	0.000	1	106.3422	0.580	5	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CO)(CCO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CO)(CCO)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.2000	0.000	1	108.2000	0.000	1	108.6469	0.929	58	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO)(H){3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.3950	0.397	2	108.3950	0.158	2	108.6469	0.929	58	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]S[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO)(H){1|S<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]S[6]CH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.8190	0.000	1	108.8190	0.000	1	108.6469	0.929	58	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|Cl<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.4120	0.000	1	108.4120	0.000	1	108.6469	0.929	58	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(CC[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(CC[6a]O)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.4610	0.000	1	108.4610	0.000	1	108.6469	0.929	58	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	110.5565	0.247	2	110.2587	0.297	3	108.6469	0.929	58	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	109.6630	0.000	1	110.2587	0.297	3	108.6469	0.929	58	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(H){3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.6477	0.211	3	108.6477	0.045	3	108.6469	0.929	58	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCO)(H){1|C<4>,2|C<2>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CH)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2C)	109.2000	0.000	1	109.2000	0.000	1	108.6469	0.929	58	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[5a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[5a]O)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2C)	108.2825	0.310	2	108.2825	0.096	2	108.6469	0.929	58	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6]O)(H){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2C)	108.8300	0.058	2	108.8300	0.003	2	108.6469	0.929	58	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CN[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CN[6]O)(H){1|N<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]HH)(H){1|F<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	110.0260	0.000	1	110.0260	0.000	1	108.6469	0.929	58	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6]2C)	108.8320	0.000	1	108.8320	0.000	1	108.6469	0.929	58	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(COO)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6]2C)	106.4510	0.000	2	106.4510	0.000	2	108.6469	0.929	58	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(CC[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(CC[6a]O)(H){1|C<4>,2|C<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2C)	109.5727	0.139	3	109.5727	0.019	3	108.6469	0.929	58	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(CC[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(CC[6a]O)(H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2C)	108.8742	0.411	4	109.0053	0.185	8	108.6469	0.929	58	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(CC[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(CC[6a]O)(H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2C)	109.3610	0.149	3	109.0053	0.185	8	108.6469	0.929	58	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(CC[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(CC[6a]O)(H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	H(C[6]C[6]2C)	108.4620	0.000	1	109.0053	0.185	8	108.6469	0.929	58	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(COO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[6]2C)	109.1390	0.000	1	109.1390	0.000	1	108.6469	0.929	58	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)2(CCO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)2(CCO)(H){3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2C)	107.4210	0.000	1	107.4210	0.000	1	108.6469	0.929	58	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)2(CC[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)2(CC[6a]O)(H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2C)	108.0869	0.987	7	108.2390	1.086	9	108.6469	0.929	58	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)2(CC[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)2(CC[6a]O)(H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	H(C[6]C[6]2C)	109.8000	0.000	1	108.2390	1.086	9	108.6469	0.929	58	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)2(CC[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)2(CC[6a]O)(H){3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2C)	107.7430	0.000	1	108.2390	1.086	9	108.6469	0.929	58	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)2(CC[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)2(CC[6a]O)(H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2C)	108.2090	1.152	7	108.4161	1.481	8	108.6469	0.929	58	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)2(CC[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)2(CC[6a]O)(H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	H(C[6]C[6]2C)	109.8660	0.000	1	108.4161	1.481	8	108.6469	0.929	58	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)2(CHO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)2(CHO)(H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2C)	109.1460	0.000	1	108.2365	1.654	2	108.6469	0.929	58	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)2(CHO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)2(CHO)(H){2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2C)	107.3270	0.000	1	108.2365	1.654	2	108.6469	0.929	58	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)2(CHO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)2(CHO)(H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|Cl<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	109.0470	0.000	1	109.2277	0.025	3	108.6469	0.929	58	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)2(CHO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)2(CHO)(H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	109.3180	0.008	2	109.2277	0.025	3	108.6469	0.929	58	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)2(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)2(COO)(H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6]2C)	107.9890	0.000	2	107.9890	0.000	2	108.6469	0.929	58	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]CH)(CCO)(H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]CH)(CCO)(H){3|C<3>,4|H<1>}	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	H(C[6]C[6]2C)	105.2170	0.000	1	105.2170	0.000	1	105.2170	0.000	1	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	N[6]-3:C[5]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]N[6]H)(C[6]C[6,6a]HO)(COO)(H)	C[6](N[6]C[6,6a]H)(C[5]C[5]2Fe)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5]N[6]H)(C[6]C[6,6a]HO)(COO)(H){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	C[6](N[6]C[6,6a]H)(C[5]C[5]2Fe)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.2240	0.000	1	108.2240	0.000	1	108.2240	0.000	1	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(CCH)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(CCH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.3720	0.000	1	106.3720	0.000	1	106.3720	0.000	1	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]2H)(C[6]O[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(CCHH)(H)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]CH)(C[6]C[6]2H)(C[6]O[6]O)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(CCHH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]3)	107.9293	0.225	3	107.9293	0.050	3	107.8872	0.549	6	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]O[6]H)(C[6]O[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(CCHH)(H)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]CH)(C[6]C[6]O[6]H)(C[6]O[6]O)(H){1|Br<1>,1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]3)	106.5360	0.000	1	107.8450	1.316	3	107.8872	0.549	6	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]O[6]H)(C[6]O[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(CCHH)(H)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]CH)(C[6]C[6]O[6]H)(C[6]O[6]O)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]3)	108.4995	0.248	2	107.8450	1.316	3	107.8872	0.549	6	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]2H)(C[6]O[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O[6]H)(C[6]C[6]2H)(H)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]2H)(C[6]O[6]O)(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O[6]H)(C[6]C[6]2H)(H){2|C<3>,2|H<1>,2|O<1>,2|O<2>,3|C<4>}	H(C[6]C[6]3)	108.2140	0.000	1	108.2140	0.000	1	108.2140	0.000	1	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[6]C[6]3)	106.5230	0.000	1	106.5230	0.000	1	106.0108	0.101	5	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]3)	105.8828	0.161	4	105.8828	0.026	4	106.0108	0.101	5	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)(NOO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(CCHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)(NOO)(H){2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]2N)	109.5640	0.000	1	109.5640	0.000	1	109.5640	0.000	1	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(NOO)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(NOO)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2N)	109.2490	0.068	2	109.2490	0.005	2	109.2490	0.005	2	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NOO)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HN)(CCCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NOO)(H){3|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HN)(CCCH)(H){3|C<3>,3|H<1>}	H(C[6]C[6]2N)	107.4150	0.000	1	107.4150	0.000	1	108.8205	0.712	14	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(NOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(NOO)(H){1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2N)	109.6513	0.567	3	109.6513	0.322	3	108.8205	0.712	14	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(NOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(NOO)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2N)	108.9265	0.897	4	108.9265	0.805	4	108.8205	0.712	14	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]CH)(NOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]CH)(NOO)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2N)	108.3300	0.000	1	108.3300	0.000	1	108.8205	0.712	14	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(NOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(NOO)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2N)	109.2970	0.110	2	109.2970	0.012	2	108.8205	0.712	14	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(NOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CC[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(NOO)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CC[6]HN)(H){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2N)	108.2100	0.000	1	108.2100	0.000	1	108.8205	0.712	14	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(NOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CC[6a]CH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(NOO)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CC[6a]CH)(H){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2N)	107.9200	0.000	1	107.9200	0.000	1	108.8205	0.712	14	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]CH)(NOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]CH)(NOO)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|S<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2N)	108.3580	0.000	1	108.3580	0.000	1	108.8205	0.712	14	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(NOO)(H){1|Fe<10>,1|H<1>,4|C<3>,4|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.8610	0.000	1	108.8610	0.000	1	108.7964	2.168	39	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H){2|H<1>,7|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2N)	108.6470	0.283	2	108.6470	0.080	2	108.7964	2.168	39	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CH)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CH)(NOO)(H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2N)	109.4970	0.000	1	109.4970	0.000	1	108.7964	2.168	39	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H){1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.2640	0.000	1	108.2640	0.000	1	108.7964	2.168	39	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(NOO)(H){3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2N)	107.8340	0.063	4	107.8340	0.004	4	108.7964	2.168	39	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2N)	109.1450	0.000	1	109.1450	0.000	1	108.7964	2.168	39	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(NOO)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HN)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2N)	108.9860	0.000	1	108.9860	0.000	1	108.7964	2.168	39	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(NOO)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6]2N)	108.1785	0.145	2	108.1785	0.021	2	108.7964	2.168	39	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(NOO)(H){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6]2N)	108.4520	0.502	3	108.4520	0.252	3	108.7964	2.168	39	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(NOO)(H){3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2N)	108.4350	0.000	1	108.4350	0.000	1	108.7964	2.168	39	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N[5]H)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N[5]H)(NOO)(H){1|H<1>,3|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6]2N)	109.4520	0.000	1	109.4520	0.000	1	108.7964	2.168	39	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N[5]H)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N[5]H)(NOO)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2N)	109.1070	0.000	1	109.1070	0.000	1	108.7964	2.168	39	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)2(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(NOO)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)2(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2N)	109.1570	0.000	1	109.1570	0.000	1	108.7964	2.168	39	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(NOO)(H){1|F<1>,1|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]HN)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2N)	110.2610	0.000	1	110.2610	0.000	1	108.7964	2.168	39	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6]2N)	107.9335	0.037	2	107.9335	0.001	2	108.7964	2.168	39	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]HP)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(NOO)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]HP)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2N)	109.1770	0.000	1	109.1770	0.000	1	108.7964	2.168	39	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)2(NOO)(H){1|C<4>,1|H<1>,2|C<2>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2N)	111.9875	0.100	2	109.7580	6.643	4	108.7964	2.168	39	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)2(NOO)(H){3|C<2>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H){1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6]2N)	107.5285	0.187	2	109.7580	6.643	4	108.7964	2.168	39	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)2(NOO)(H){1|C<4>,1|H<1>,2|C<2>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2N)	112.8520	0.933	2	111.0427	5.728	4	108.7964	2.168	39	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)2(NOO)(H){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2N)	110.5020	0.000	1	111.0427	5.728	4	108.7964	2.168	39	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)2(NOO)(H){1|H<1>,7|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|Cl<1>,3|H<1>,4|C<3>}	H(C[6]C[6]2N)	107.9650	0.000	1	111.0427	5.728	4	108.7964	2.168	39	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)2(NOO)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2N)	107.2770	0.000	1	107.6895	0.076	6	108.7964	2.168	39	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)2(NOO)(H){2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){4|C<3>,4|H<1>}	H(C[6]C[6]2N)	107.7720	0.211	5	107.6895	0.076	6	108.7964	2.168	39	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)2(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)2(NOO)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)2(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2N)	107.1660	0.000	1	107.1660	0.000	1	108.7964	2.168	39	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC[5]H)(H)	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC[5]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.1230	0.000	1	108.1230	0.000	1	108.1230	0.000	1	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(NCH)(H)	C[6](N[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](N[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2N)	108.4895	0.189	2	108.4895	0.036	2	108.6603	0.105	3	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(NCH)(H)	C[6](N[5a]N[5a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|N<2>,4|H<1>}	C[6](N[5a]N[5a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6]2N)	109.0020	0.000	1	109.0020	0.000	1	108.6603	0.105	3	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]CH)(NOO)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(CCHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]CH)(NOO)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(CCHH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.5890	0.000	1	107.5890	0.000	1	107.5890	0.000	1	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(NOO)(H)	C[6](N[6]C[6,6a]S)(C[6]C[6]HN)(CF3)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(NOO)(H){1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]S)(C[6]C[6]HN)(CF3)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2N)	109.5503	0.533	3	109.5503	0.284	3	109.0487	1.196	4	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(NOO)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(CCHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(NOO)(H){1|C<4>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(CCHH)(H){2|H<1>,4|C<3>}	H(C[6]C[6]2N)	107.5440	0.000	1	107.5440	0.000	1	109.0487	1.196	4	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H)	C[6](N[6]In[6]C[6])(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H){1|In<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](N[6]In[6]C[6])(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2N)	106.4790	0.216	4	106.4790	0.047	4	106.9816	0.420	7	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H)	C[6](N[6]In[6]C[6])(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H){1|In<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](N[6]In[6]C[6])(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2N)	107.6517	0.113	3	107.6517	0.013	3	106.9816	0.420	7	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:Si-3:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(SiCC)(H)	C[6](N[6]C[6,6a]S)(C[6]C[6]SiH)(CH3)(H)	H(C[6]C[6]2Si)	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(SiCC)(H){1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]S)(C[6]C[6]SiH)(CH3)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2Si)	107.8890	0.000	1	107.8890	0.000	1	107.8890	0.000	1	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:S[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(S[6]C[6]OO)(CC[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]CH)(H)	H(C[6]C[6]S[6]C)	C[6](C[6]C[6a]C[6]H)(S[6]C[6]OO)(CC[6a]O)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]CH)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	H(C[6]C[6]S[6]C)	107.5780	0.000	1	107.5780	0.000	1	107.4925	0.015	2	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:1:	4:	C[6]-4:S[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(S[6]C[6]OO)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]CH)(H)	H(C[6]C[6]S[6]C)	C[6](C[6]C[6a]C[6]H)(S[6]C[6]OO)(COO)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]CH)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	H(C[6]C[6]S[6]C)	107.4070	0.000	1	107.4070	0.000	1	107.4925	0.015	2	108.2814	1.683	170	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H)	C[6](C[5]C[5,5]C[5])(C[6]C[6]CH)2(OH)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5]C[5,5]C[5])(C[6]C[6]CH)2(OH){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.2380	0.000	1	107.2380	0.000	1	107.2380	0.000	1	108.5097	0.664	23	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(CC[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(CC[6a]O)(H){1|C<4>,2|C<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2C)	109.5493	0.164	3	109.0196	0.631	7	108.7377	0.435	15	108.5097	0.664	23	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(CC[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(CC[6a]O)(H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2C)	108.6222	0.868	4	109.0196	0.631	7	108.7377	0.435	15	108.5097	0.664	23	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(CC[6a]O)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(CC[6a]O)(H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2C)	108.7965	0.253	4	108.7965	0.064	4	108.7377	0.435	15	108.5097	0.664	23	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HO)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(COO)(H){1|H<1>,1|O<2>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HO)(OH){4|C<3>,4|H<1>}	H(C[6]C[6]2C)	108.0030	0.000	1	108.0030	0.000	1	108.7377	0.435	15	108.5097	0.664	23	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[5,6]HH)(CC[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]O)(C[6]C[5,6]HH)(CC[6a]O)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2C)	108.1030	0.000	1	108.1030	0.000	1	108.7377	0.435	15	108.5097	0.664	23	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(CC[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(CC[6a]O)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2C)	108.6680	0.000	1	108.6680	0.000	1	108.7377	0.435	15	108.5097	0.664	23	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(COO)(H){3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2C)	107.9690	0.000	1	107.9690	0.000	1	108.7377	0.435	15	108.5097	0.664	23	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	N[5a,6]-3:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[5a,6]CO)(COO)(H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(CClHH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]N[5a,6]CO)(COO)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(CClHH)(OH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[6]2C)	107.5200	0.000	1	107.5200	0.000	1	108.0900	0.650	2	108.5097	0.664	23	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	N[5a,6]-3:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[5a,6]CO)(COO)(H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(CH3)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]N[5a,6]CO)(COO)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(CH3)(OH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[6]2C)	108.6600	0.000	1	108.6600	0.000	1	108.0900	0.650	2	108.5097	0.664	23	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(NOO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(NOO)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2N)	109.1890	0.000	1	109.1890	0.000	1	108.4282	1.375	4	108.5097	0.664	23	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NHN)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NHN)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2N)	109.6690	0.000	1	109.6690	0.000	1	108.4282	1.375	4	108.5097	0.664	23	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NHS)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NHS)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2N)	107.4275	0.059	2	107.4275	0.003	2	108.4282	1.375	4	108.5097	0.664	23	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]C[6]O)(C[6]C[6]FH)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)	H(C[6]C[6]2N[6])	C[6](C[6]C[6,6a]C[6]O)(C[6]C[6]FH)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|F<1>,2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2N[6])	107.5260	0.000	1	107.5260	0.000	1	107.5260	0.000	1	108.5097	0.664	23	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CCC)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.0960	0.000	1	106.0960	0.000	1	106.0960	0.000	1	106.3174	0.082	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	105.8900	0.000	1	105.8900	0.000	1	106.1430	0.056	3	106.3174	0.082	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3){1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.2695	0.129	2	106.2695	0.017	2	106.1430	0.056	3	106.3174	0.082	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6]O)(CC[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6]O)(CC[6a]O)(H){3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6]2C)	106.6595	0.042	2	106.6595	0.002	2	106.6595	0.002	2	106.3174	0.082	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]3)	C[6](C[6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]3)	106.3780	0.000	1	106.3780	0.000	1	106.3780	0.000	1	106.3174	0.082	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]HH)(CCO)(H)	C[6](C[6]C[5,6]CH)(O[6]C[5,6])(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]HH)(CCO)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]CH)(O[6]C[5,6])(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	108.1527	0.331	4	108.1527	0.110	4	108.1527	0.110	4	107.8048	1.881	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:1:1:	4:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5]O[5]2H)(C[6]S[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[5]C[6]H)(S[6]C[6])(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]O[5]2H)(C[6]S[6]HH)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	C[6](C[6]C[5]C[6]H)(S[6]C[6])(H)2{1|C<4>,1|O<1>,2|O<2>,3|H<1>}	H(C[6]C[5]C[6]2)	107.2060	0.000	1	107.2060	0.000	1	107.2060	0.000	1	107.8048	1.881	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(CCH)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6])(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(CCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6,6]C[6]C)	107.0370	0.000	1	105.7070	3.538	2	105.8383	2.008	4	107.8048	1.881	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(CCH)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6])(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(CCH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6,6]C[6]C)	104.3770	0.000	1	105.7070	3.538	2	105.8383	2.008	4	107.8048	1.881	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(CC[6]O)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6])(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(CC[6]O)(H){3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(O[6]C[6])(H)2{1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]C)	107.0690	0.000	1	107.0690	0.000	1	105.8383	2.008	4	107.8048	1.881	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]2C[6])(C[6]O[6]HH)(CCH)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6a]2C[6])(C[6]O[6]HH)(CCH)(H){1|O<1>,5|C<3>}	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(H)2{4|C<3>}	H(C[6]C[6,6]C[6]C)	104.8700	0.000	1	104.8700	0.000	1	105.8383	2.008	4	107.8048	1.881	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]CH)(COO)(H)	C[6](C[6]C[6]CH)(N[6]C[6])(H)2	H(C[6]C[6]2C)	C[6](C[6]N[6]HH)(C[6]O[6]CH)(COO)(H){1|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2C)	106.9950	0.000	1	106.9950	0.000	1	106.9950	0.000	1	107.8048	1.881	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCH)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2C)	107.9820	0.000	1	107.9820	0.000	1	108.1865	0.027	4	107.8048	1.881	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCO)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCO)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.3050	0.105	2	108.3050	0.011	2	108.1865	0.027	4	107.8048	1.881	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CCH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CCH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	108.1540	0.000	1	108.1540	0.000	1	108.1865	0.027	4	107.8048	1.881	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]S[6]HH)(CN[5]O)(H)	C[6](C[6]C[6]CH)(S[6]C[6])(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HN)(C[6]S[6]HH)(CN[5]O)(H){2|C<3>}	C[6](C[6]C[6]CH)(S[6]C[6])(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2C)	108.3560	0.000	1	108.3560	0.000	1	108.3560	0.000	1	107.8048	1.881	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N[6]H)(C[6]S[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(S[6]C[6])(H)2	H(C[6]C[6]3)	C[6](C[6]C[6,6a]N[6]H)(C[6]S[6]HH)(C[6]C[6]O)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]2H)(S[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6]C[6]3)	108.1700	0.000	1	108.1700	0.000	1	108.1700	0.000	1	107.8048	1.881	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]HH)(NOO)(H)	C[6](C[6]C[6]HN)(O[6]C[6,6])(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]HH)(NOO)(H){4|C<3>}	C[6](C[6]C[6]HN)(O[6]C[6,6])(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2N)	107.9387	0.623	3	107.9387	0.388	3	108.0519	2.176	16	107.8048	1.881	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6,6])(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	108.5860	0.000	1	108.5860	0.000	1	108.0519	2.176	16	107.8048	1.881	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]HH)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]P[6])(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(NCH)(H){1|C<4>,1|H<1>,1|P<4>}	C[6](C[6]C[6]HN)(O[6]P[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2N)	106.8040	0.000	1	106.8040	0.000	1	108.0519	2.176	16	107.8048	1.881	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]HN)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2N)	106.5187	1.183	3	107.9505	9.133	4	108.0519	2.176	16	107.8048	1.881	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]HN)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2N)	112.2460	0.000	1	107.9505	9.133	4	108.0519	2.176	16	107.8048	1.881	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NCC)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(H)2	H(C[6]C[6]2N)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NCC)(H){1|C<4>}	C[6](C[6]C[6]HN)(O[6]C[6])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2N)	107.2290	0.000	1	107.2290	0.000	1	108.0519	2.176	16	107.8048	1.881	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(H)2	H(C[6]C[6]2N)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NCH)(H){1|C<4>}	C[6](C[6]C[6]HN)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2N)	108.2312	0.415	4	108.2312	0.172	4	108.0519	2.176	16	107.8048	1.881	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)2(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(H)2	H(C[6]C[6]2N)	C[6](C[6]O[6]HH)2(NCH)(H){1|C<4>}	C[6](C[6]C[6]HN)(O[6]C[6])(H)2{2|O<2>,3|H<1>}	H(C[6]C[6]2N)	108.8340	0.034	2	108.8340	0.001	2	108.0519	2.176	16	107.8048	1.881	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]S[6]HH)(NHS)(H)	C[6](C[6]C[6]HN)(S[6]S[6])(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HN)(C[6]S[6]HH)(NHS)(H){1|S<2>,2|H<1>}	C[6](C[6]C[6]HN)(S[6]S[6])(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2N)	107.3695	0.547	2	107.3695	0.299	2	107.3695	0.299	2	107.8048	1.881	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6])(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6])(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	107.5110	0.000	1	107.5110	0.000	1	107.5110	0.000	1	107.8048	1.881	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:1:1:	4:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(N[6]C[6]HH)(COO)(H)	C[6](C[6]N[6]CH)(S[6]C[6])(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]S[6]HH)(N[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]CH)(S[6]C[6])(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	110.4550	0.000	1	110.4550	0.000	1	110.4550	0.000	1	107.8048	1.881	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HO)(COO)(H)	C[6](C[6]C[5,6]CH)(O[6]C[6])(OH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HO)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(O[6]C[6])(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]C)	109.0550	0.000	1	109.0550	0.000	1	109.0550	0.000	1	107.8262	1.001	46	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCC)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCC)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.1110	0.000	1	106.1110	0.000	1	107.4125	0.786	4	107.8262	1.001	46	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(OC[6])(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCH)(H){2|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6])(OC[6])(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.8463	0.222	3	107.8463	0.049	3	107.4125	0.786	4	107.8262	1.001	46	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NCC)(H)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NCC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	106.5537	0.558	3	106.5537	0.311	3	107.8599	0.952	29	107.8262	1.001	46	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	106.0780	0.000	1	106.0780	0.000	1	107.8599	0.952	29	107.8262	1.001	46	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NHH)(H)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NHH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	106.9790	0.000	1	106.9790	0.000	1	107.8599	0.952	29	107.8262	1.001	46	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NHS)(H)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NHS)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	108.7110	0.919	2	108.7110	0.845	2	107.8599	0.952	29	107.8262	1.001	46	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HS)(C[6]O[6]HO)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HS)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	106.9395	0.080	2	106.9395	0.006	2	107.8599	0.952	29	107.8262	1.001	46	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	108.0467	0.872	12	108.0467	0.760	12	107.8599	0.952	29	107.8262	1.001	46	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(OC[6])(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	108.2245	0.005	2	108.2245	0.000	2	107.8599	0.952	29	107.8262	1.001	46	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	108.6607	0.129	3	108.6607	0.017	3	107.8599	0.952	29	107.8262	1.001	46	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(ON[5])(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(ON[5])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	107.6410	0.000	1	107.6410	0.000	1	107.8599	0.952	29	107.8262	1.001	46	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NHS)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NHS)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	108.0570	0.000	1	108.0570	0.000	1	107.8599	0.952	29	107.8262	1.001	46	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NMoC)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(OMo)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NMoC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(OMo)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	109.2280	0.000	1	109.2280	0.000	1	107.8599	0.952	29	107.8262	1.001	46	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(SC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(SC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	107.9090	0.000	1	107.9090	0.000	1	108.6650	1.143	2	107.8262	1.001	46	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(SC[6a])(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(SC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	109.4210	0.000	1	109.4210	0.000	1	108.6650	1.143	2	107.8262	1.001	46	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(O[6]C[6,6])(OC)(H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6](C[6]C[6]N[5]H)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2N[5])	106.1170	0.000	1	106.1170	0.000	1	107.3814	0.865	7	107.8262	1.001	46	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC)(H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2N[5])	107.2810	0.000	1	107.8743	0.540	3	107.3814	0.865	7	107.8262	1.001	46	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC)(H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H){1|Rh<6>,1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2N[5])	108.1710	0.742	2	107.8743	0.540	3	107.3814	0.865	7	107.8262	1.001	46	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC[6])(H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2N[5])	108.3920	0.000	1	108.3920	0.000	1	107.3814	0.865	7	107.8262	1.001	46	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HS)(C[6]O[6]HO)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC)(H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HS)(C[6]O[6]HO)(N[5]C[5]2)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC)(H){1|S<4>,2|H<1>,4|C<4>}	H(C[6]C[6]2N[5])	106.7690	0.105	2	106.7690	0.011	2	107.3814	0.865	7	107.8262	1.001	46	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(O[6]C[6,6])(SC)(H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(N[5]C[5]2)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6](C[6]C[6]N[5]H)(O[6]C[6,6])(SC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2N[5])	107.0690	0.000	1	107.0690	0.000	1	107.2705	0.081	2	107.8262	1.001	46	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(O[6]C[6])(SC)(H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HO)(C[6]O[6]HS)(N[5]C[5]2)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6](C[6]C[6]N[5]H)(O[6]C[6])(SC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2N[5])	107.4720	0.000	1	107.4720	0.000	1	107.2705	0.081	2	107.8262	1.001	46	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:O-3:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OCoC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OCoC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.8230	0.000	1	109.8230	0.000	1	109.8230	0.000	1	107.8262	1.001	46	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CCH)(H)	H(C[6]C[6]2N)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NCH)(H){1|C<4>}	C[6](C[6]C[6]HN)(O[6]C[6])(CCH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	108.1983	0.407	4	108.1983	0.166	4	108.1983	0.166	4	108.7569	1.166	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(NCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	108.2320	0.000	1	108.2320	0.000	1	108.2665	0.002	2	108.7569	1.166	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(NCO)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(NCO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	108.3010	0.000	1	108.3010	0.000	1	108.2665	0.002	2	108.7569	1.166	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:O-3:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OCu2)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(NCuC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OCu2)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(NCuC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	111.4480	0.000	1	109.2218	1.594	10	109.2218	1.594	10	108.7569	1.166	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:O-3:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OCu2)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(NCuC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OCu2)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(NCuC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.9744	1.051	9	109.2218	1.594	10	109.2218	1.594	10	108.7569	1.166	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:O-3:H-1:	C[6]-4:O[6]-2:S-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(ONiH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(SNiPt)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(ONiH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(SNiPt)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.0400	0.243	2	108.0400	0.059	2	108.0400	0.059	2	108.7569	1.166	18	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:3:3:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:N-3:C-3:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CN)(COO)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(NC[6a]H)(COO)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CN)(COO)(H){4|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(NC[6a]H)(COO){1|H<1>,3|C<3>}	H(C[6]C[6]2C)	104.6270	0.000	1	104.6270	0.000	1	104.6270	0.000	1	104.6270	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]CH)(CNO)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CC3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(CNO)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CC3)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2C)	108.2870	0.000	1	108.2870	0.000	1	107.8038	0.740	5	107.4884	1.684	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(COO)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(COO)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.2050	0.000	1	107.2050	0.000	1	107.8038	0.740	5	107.4884	1.684	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(CNO)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(CNO)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2C)	107.5000	0.000	1	107.5000	0.000	1	107.8038	0.740	5	107.4884	1.684	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(COO)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(COO)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2C)	109.0590	0.000	1	109.0590	0.000	1	107.8038	0.740	5	107.4884	1.684	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]CH)(COO)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]N[6]HH)(C[6]O[6]CH)(COO)(H){1|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H){1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]2C)	106.9680	0.000	1	106.9680	0.000	1	107.8038	0.740	5	107.4884	1.684	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]O[6]H)(C[6]O[6]O)(H)	C[6](C[6]C[6]BrC)(O[6]C[6,6a])(C[6]C[6]2H)(H)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]CH)(C[6]C[6]O[6]H)(C[6]O[6]O)(H){1|Br<1>,1|C<4>,4|C<3>}	C[6](C[6]C[6]BrC)(O[6]C[6,6a])(C[6]C[6]2H)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>,3|C<3>}	H(C[6]C[6]3)	106.5640	0.000	1	106.5640	0.000	1	106.5640	0.000	1	107.4884	1.684	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]CH)(NHS)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]CO)(C[6]O[6]CH)(NHS)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2N)	106.9090	0.000	1	106.9090	0.000	1	107.6177	2.341	12	107.4884	1.684	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NCC)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NCC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	107.0290	0.000	1	107.0290	0.000	1	107.6177	2.341	12	107.4884	1.684	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NCS)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NCS)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2N)	107.4110	0.000	1	107.4110	0.000	1	107.6177	2.341	12	107.4884	1.684	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NOO)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CBr3)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NOO)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(O[6]C[6])(CBr3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	105.0930	0.000	1	105.0930	0.000	1	107.6177	2.341	12	107.4884	1.684	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NCH)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	H(C[6]C[6]2N)	109.1570	0.000	1	109.1570	0.000	1	107.6177	2.341	12	107.4884	1.684	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	108.2300	0.000	1	108.2300	0.000	1	107.6177	2.341	12	107.4884	1.684	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[6]C[6]2N)	108.6760	0.000	1	108.6760	0.000	1	107.6177	2.341	12	107.4884	1.684	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	109.2030	0.000	1	109.2030	0.000	1	107.6177	2.341	12	107.4884	1.684	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NHO)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NHO)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	104.6630	0.000	1	104.6630	0.000	1	107.6177	2.341	12	107.4884	1.684	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]O[6]CH)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]N[6]H)(C[6]O[6]CH)(NCH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[6]C[6]2N)	108.6500	0.000	1	108.6500	0.000	1	107.6177	2.341	12	107.4884	1.684	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(NOO)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(NOO)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2N)	109.1020	0.000	1	109.1020	0.000	1	107.6177	2.341	12	107.4884	1.684	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NCC)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H)	H(C[6]C[6]2N)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NCC)(H){1|C<4>}	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	107.2890	0.000	1	107.2890	0.000	1	107.6177	2.341	12	107.4884	1.684	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:Se[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]Se[6]CH)(C[6]C[6]HN)(NHS)(H)	C[6](C[6]C[6]HN)(Se[6]Se[6])(CHHO)(H)	H(C[6]C[6]2N)	C[6](C[6]Se[6]CH)(C[6]C[6]HN)(NHS)(H){1|Se<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HN)(Se[6]Se[6])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2N)	106.3860	0.994	2	106.3860	0.988	2	106.3860	0.988	2	107.4884	1.684	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(O[6]C[6])(CF3)(H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]O[6]CH)(N[5]C[5]2)(H){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]N[5]H)(O[6]C[6])(CF3)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2N[5])	107.4900	0.000	1	107.4900	0.000	1	107.4900	0.000	1	107.4884	1.684	21	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:4:2:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6,6a]O[6]H)(C[6]O[6]CO)(CNO)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CH3)(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6,6a]O[6]H)(C[6]O[6]CO)(CNO)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CH3)(OH){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6]C[6]C)	109.7000	0.000	1	109.7000	0.000	1	109.2870	0.341	2	108.4700	1.003	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:4:2:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6,6a]O[6]H)(C[6]O[6]CO)(COO)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CF3)(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6,6a]O[6]H)(C[6]O[6]CO)(COO)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CF3)(OH){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6]C[6]C)	108.8740	0.000	1	108.8740	0.000	1	109.2870	0.341	2	108.4700	1.003	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(COO)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(COO)(H){4|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)(OH){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	107.9300	0.000	1	107.9300	0.000	1	108.0615	0.890	4	108.4700	1.003	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(COO)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CF3)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(COO)(H){1|C<4>,4|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6])(CF3)(OH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	109.3620	0.000	1	109.3620	0.000	1	108.0615	0.890	4	108.4700	1.003	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CO)(CCO)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]CO)(CCO)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.1040	0.000	1	107.1040	0.000	1	108.0615	0.890	4	108.4700	1.003	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CO)(COO)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]CO)(COO)(H){1|C<4>,1|H<1>,1|I<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(OH){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.8500	0.000	1	107.8500	0.000	1	108.0615	0.890	4	108.4700	1.003	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:4:4:	4:	C[5,6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]O[6]CC)(CCH)(H)	C[6](C[6]C[5,6,6]CH)(O[6]O[6])(CH3)2	H(C[6]C[5,6,6]C[6]C)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]O[6]CC)(CCH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6,6]CH)(O[6]O[6])(CH3)2{1|C<3>,1|C<4>,1|O<2>}	H(C[6]C[5,6,6]C[6]C)	106.9200	0.000	1	106.9200	0.000	1	106.9200	0.000	1	107.7149	0.264	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]O[6]CC)(NHH)(H)	C[6](C[6]C[6,6]HN)(O[6]C[6])(CCl2H)(CH3)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]2H)(C[6]O[6]CC)(NHH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]HN)(O[6]C[6])(CCl2H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6,6]C[6]N)	107.7290	0.000	1	107.7290	0.000	1	107.7290	0.000	1	107.7149	0.264	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(COO)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(COO)(H){1|Br<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.1780	0.000	1	107.8243	0.261	4	107.8243	0.261	4	107.7149	0.264	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(COO)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(COO)(H){1|Br<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.6980	0.000	1	107.8243	0.261	4	107.8243	0.261	4	107.7149	0.264	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(COO)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(COO)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.7105	0.786	2	107.8243	0.261	4	107.8243	0.261	4	107.7149	0.264	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]O[6]CC)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(O[6]C[6])(CH3)2	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]O[6]CC)(C[6]C[6]O)(H){4|H<1>,5|C<4>}	C[6](C[6]C[6]2H)(O[6]C[6])(CH3)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6]3)	108.0580	0.000	1	108.0580	0.000	1	108.0580	0.000	1	107.7149	0.264	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[6,6]3)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[3x6]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[3x6]C[6]N[6])	C[6](C[3x6]C[6,6]3)(C[6]C[6]HH)(N[6]C[6]H)(H){2|O<1>,4|C<4>,6|H<1>}	C[6](C[6]C[3x6]N[6]H)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]N[6])	106.2990	0.000	1	106.2990	0.000	1	107.0987	0.492	3	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[6,6]3)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[3x6]N[6]H)(C[6]O[6]C)(H)2	H(C[6]C[3x6]C[6]N[6])	C[6](C[3x6]C[6,6]3)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[3x6]N[6]H)(C[6]O[6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]N[6])	107.4985	0.156	2	107.4985	0.024	2	107.0987	0.492	3	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]N[6]O)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]N[6]O)(H)2{1|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]C)	109.1420	0.000	1	109.1420	0.000	1	107.6690	1.236	21	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]C)	107.8330	0.000	1	107.8330	0.000	1	107.6690	1.236	21	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHN)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHN)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]C)	108.8990	0.000	1	108.8990	0.000	1	107.6690	1.236	21	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN[5]O)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN[5]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	108.4820	0.028	2	108.4820	0.001	2	107.6690	1.236	21	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]C)	109.1950	0.000	1	109.1950	0.000	1	107.6690	1.236	21	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	108.7200	0.000	1	108.5580	0.052	2	107.6690	1.236	21	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	108.3960	0.000	1	108.5580	0.052	2	107.6690	1.236	21	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(CC[6a]O)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]C)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]C)(H)2{1|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]C)	107.9795	0.320	2	107.9795	0.103	2	107.6690	1.236	21	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CC[6a]O)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]C)	107.2190	0.000	1	107.2665	0.005	2	107.6690	1.236	21	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CC[6a]O)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5,6]C[6]C)	107.3140	0.000	1	107.2665	0.005	2	107.6690	1.236	21	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H){1|C<4>,1|N<3>,2|O<1>,3|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2{1|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]C)	105.9670	0.000	1	105.9670	0.000	1	107.6690	1.236	21	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]Cl)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H){1|Cl<1>,1|N<3>,2|O<1>,3|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]Cl)(H)2{1|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]C)	107.5530	0.000	1	107.2955	0.133	2	107.6690	1.236	21	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]Cl)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H){1|Cl<1>,1|N<3>,2|O<1>,3|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]Cl)(H)2{1|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]C)	107.0380	0.000	1	107.2955	0.133	2	107.6690	1.236	21	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5,6]C[6]C)	105.6950	0.000	1	106.6800	1.165	3	107.6690	1.236	21	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5,6]C[6]C)	107.8340	0.000	1	106.6800	1.165	3	107.6690	1.236	21	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(H){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5,6]C[6]C)	106.5110	0.000	1	106.6800	1.165	3	107.6690	1.236	21	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]N[5,6]O)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]N[5,6]O)(C[6]C[6]HH)(COO)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[6]C[5,6]C[6]C)	108.7390	0.000	1	108.7390	0.000	1	107.6690	1.236	21	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]HH)(COO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[5,6]C[6]C)	105.8630	0.000	1	106.0360	0.060	2	107.6690	1.236	21	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]HH)(COO)(H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[5,6]C[6]C)	106.2090	0.000	1	106.0360	0.060	2	107.6690	1.236	21	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]N[6]HH)(CCH)(H)	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]N[6]HH)(CCH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[5,6]C[6]C)	106.3660	0.000	1	106.3660	0.000	1	106.3660	0.000	1	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(H)2	H(C[6]C[5]C[6]N[6])	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(H)2{1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[5]C[6]N[6])	106.6140	0.000	1	106.6140	0.000	1	106.6140	0.000	1	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(COO)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]C)	108.9050	0.000	1	108.9050	0.000	1	107.7596	0.947	23	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(COO)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]C)	107.7615	0.620	2	107.7615	0.385	2	107.7596	0.947	23	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]C)	107.5500	0.000	1	107.5500	0.000	1	107.7596	0.947	23	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H){2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	107.5570	0.556	2	107.5570	0.309	2	107.7596	0.947	23	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CNO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CNO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	106.2410	0.092	2	106.2410	0.008	2	107.7596	0.947	23	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	108.7935	0.340	2	108.0695	1.063	12	107.7596	0.947	23	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]C)	108.0480	0.000	1	108.0695	1.063	12	107.7596	0.947	23	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	106.6375	1.101	2	108.0695	1.063	12	107.7596	0.947	23	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6,6]C[6]C)	109.1440	0.000	1	108.0695	1.063	12	107.7596	0.947	23	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	108.1640	1.130	4	108.0695	1.063	12	107.7596	0.947	23	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6,6]C[6]C)	108.0620	0.437	2	108.0695	1.063	12	107.7596	0.947	23	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	108.0400	0.000	1	108.0400	0.000	1	107.7596	0.947	23	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]O[6]O)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]O[6]O)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]C)	107.1460	0.000	1	107.1460	0.000	1	107.7596	0.947	23	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6]HH)(COO)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]C)	106.8760	0.000	1	106.8760	0.000	1	107.7596	0.947	23	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCC)(H)	C[6](C[6]C[6,6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCC)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.2460	0.000	1	107.2460	0.000	1	106.8060	0.693	4	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCH)(H)	C[6](C[6]C[6,6]CH)(N[6]C[6,6]S)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCH)(H){1|O<1>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(N[6]C[6,6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	105.6260	0.000	1	105.6260	0.000	1	106.8060	0.693	4	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]N[6]HH)(CCH)(H)	C[6](C[6]C[6,6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]3)(C[6]N[6]HH)(CCH)(H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]CH)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]C)	107.1760	0.470	2	107.1760	0.220	2	106.8060	0.693	4	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]O[6])(H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]O[6])(H)2{1|Si<4>,1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.8020	0.000	1	106.8020	0.000	1	106.8020	0.000	1	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]HH)(N[5]C[5]2)(H)	C[6](C[6]C[6,6]N[5]H)(N[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]N[5])	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]HH)(N[5]C[5]2)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6](C[6]C[6,6]N[5]H)(N[6]C[6]C)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]N[5])	108.7060	0.000	1	108.7060	0.000	1	108.7060	0.000	1	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	107.5690	0.000	1	107.5690	0.000	1	107.4676	1.302	74	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CCH)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.4840	0.000	1	107.4840	0.000	1	107.4676	1.302	74	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CCC)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	107.0750	0.000	2	107.0750	0.000	2	107.4676	1.302	74	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	107.7875	0.049	2	107.6387	0.068	3	107.4676	1.302	74	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCC)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	107.3410	0.000	1	107.6387	0.068	3	107.4676	1.302	74	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CC[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CC[6]O)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.4590	0.000	1	106.4590	0.000	1	107.4676	1.302	74	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{4|C<4>}	H(C[6]C[6]2C)	106.9120	0.000	1	106.9120	0.000	1	107.4676	1.302	74	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.4430	0.000	1	107.4430	0.000	1	107.4676	1.302	74	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.4310	0.000	1	107.4310	0.000	1	107.4676	1.302	74	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.5840	0.000	1	106.5840	0.000	1	107.4676	1.302	74	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.3885	0.091	2	107.3885	0.008	2	107.4676	1.302	74	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	108.7190	0.000	1	108.7190	0.000	1	107.4676	1.302	74	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]O)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2C)	109.7180	0.000	1	109.7180	0.000	1	107.4676	1.302	74	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	109.3330	0.000	1	109.3330	0.000	1	107.4676	1.302	74	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	106.4070	0.000	1	106.9754	1.003	7	107.4676	1.302	74	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.0702	1.062	6	106.9754	1.003	7	107.4676	1.302	74	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2C)	107.2140	0.000	1	107.2140	0.000	1	107.4676	1.302	74	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(COO)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2C)	107.3380	0.000	1	107.3380	0.000	1	107.4676	1.302	74	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	107.9163	0.811	4	107.9163	0.658	4	107.4676	1.302	74	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CNO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CNO)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2C)	108.3748	0.244	5	108.3748	0.060	5	107.4676	1.302	74	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(COO)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2C)	107.6355	0.124	2	107.6355	0.015	2	107.4676	1.302	74	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.9670	0.000	1	106.9779	0.116	7	107.4676	1.302	74	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.2750	0.453	2	106.9779	0.116	7	107.4676	1.302	74	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.6970	0.288	2	106.9779	0.116	7	107.4676	1.302	74	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.9670	0.274	2	106.9779	0.116	7	107.4676	1.302	74	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.1490	0.430	2	107.1490	0.185	2	107.4676	1.302	74	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCC)(H){1|B<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.8570	0.000	1	107.5961	0.822	15	107.4676	1.302	74	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<2>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.5260	0.000	1	107.5961	0.822	15	107.4676	1.302	74	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.2150	0.000	2	107.5961	0.822	15	107.4676	1.302	74	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.7510	0.300	2	107.5961	0.822	15	107.4676	1.302	74	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.6660	0.000	1	107.5961	0.822	15	107.4676	1.302	74	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	107.4500	0.000	1	107.5961	0.822	15	107.4676	1.302	74	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCC)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.8220	1.291	6	107.5961	0.822	15	107.4676	1.302	74	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCC)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.5790	0.000	1	107.5961	0.822	15	107.4676	1.302	74	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCF)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCF)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.1830	0.252	4	108.1830	0.063	4	107.4676	1.302	74	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCN)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.6290	0.000	1	107.6290	0.000	1	107.4676	1.302	74	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6a]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[6a]C)(H){1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.0885	0.545	2	107.0885	0.297	2	107.4676	1.302	74	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	102.7550	0.000	1	102.7550	0.000	1	107.4676	1.302	74	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(COO)(H){1|C<4>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.8150	0.000	1	107.8150	0.000	1	107.4676	1.302	74	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(COO)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.3890	0.000	1	108.3890	0.000	1	107.4676	1.302	74	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(CHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(CHH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	102.6720	0.000	1	102.6720	0.000	1	107.4676	1.302	74	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6]O)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	108.8320	0.157	2	108.8320	0.025	2	107.4676	1.302	74	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCC)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCC)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.6480	0.000	1	107.6480	0.000	1	107.8075	0.553	20	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.7860	0.000	1	108.7860	0.000	1	107.8075	0.553	20	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(COO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	109.2610	0.000	1	109.2610	0.000	1	107.8075	0.553	20	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCC)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCC)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	107.6070	0.004	2	107.3065	0.247	8	107.8075	0.553	20	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCC)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCC)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	107.1707	0.654	3	107.3065	0.247	8	107.8075	0.553	20	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCC)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCC)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.2420	0.558	3	107.3065	0.247	8	107.8075	0.553	20	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCH)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.5520	0.929	2	108.5520	0.863	2	107.8075	0.553	20	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HS)(C[6]N[6]HH)(COO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HS)(C[6]N[6]HH)(COO)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]2C)	108.5900	0.000	1	108.5900	0.000	1	107.8075	0.553	20	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(COO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(COO)(H){1|C<4>,4|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	108.0393	0.215	3	107.7178	0.260	5	107.8075	0.553	20	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(COO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(COO)(H){1|C<4>,4|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6]2C)	107.5290	0.000	1	107.7178	0.260	5	107.8075	0.553	20	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(COO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(COO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.9420	0.000	1	107.7178	0.260	5	107.8075	0.553	20	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(CC[6a]C)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[6]HH)2(CC[6a]C)(H){1|C<4>,2|S<4>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2C)	107.7210	0.000	1	107.7210	0.000	1	107.8075	0.553	20	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(NOO)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2N)	109.2525	0.115	2	109.2525	0.013	2	108.3153	3.921	18	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2N)	107.4346	0.392	5	107.4346	0.154	5	108.3153	3.921	18	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]O[6]O)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2N)	109.4770	0.000	1	109.4770	0.000	1	108.3153	3.921	18	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HI)(NCC)(H)	C[6](C[6]C[6]HN)(C[6]O[6]O)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(NCC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]O)(H)2{1|C<4>,1|H<1>,1|I<1>}	H(C[6]C[6]2N)	113.1860	0.000	1	113.1860	0.000	1	108.3153	3.921	18	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	108.7960	0.000	1	108.7960	0.000	1	108.3153	3.921	18	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]I)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<3>,1|H<1>,1|I<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]I)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2N)	108.7920	0.000	1	108.7920	0.000	1	108.3153	3.921	18	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2N)	108.8490	0.000	1	108.8490	0.000	1	108.3153	3.921	18	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2N)	103.9250	0.000	1	103.9250	0.000	1	108.3153	3.921	18	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCN)(H)	C[6](C[6]C[6]HN)(C[6]C[6]O)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCN)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.3275	0.069	2	107.3275	0.005	2	108.3153	3.921	18	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6]P)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6]P)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	105.8860	0.000	1	105.8860	0.000	1	108.3153	3.921	18	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2N)	110.2155	0.479	2	110.2155	0.229	2	108.3153	3.921	18	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(NCC)(H)	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(NCC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2N)	105.9220	0.000	1	105.9220	0.000	1	108.2430	1.740	6	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(NC[6a]H)(H)	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(NC[6a]H)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2N)	108.7910	0.692	2	108.7910	0.478	2	108.2430	1.740	6	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NC[6a]C)(H)	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NC[6a]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.6410	0.000	1	107.6410	0.000	1	108.2430	1.740	6	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(NHS)(H)	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(NHS)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	109.1565	0.452	2	109.1565	0.204	2	108.2430	1.740	6	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(N[6]C[6]C)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HN)(C[6]N[6]HH)(N[5]C[5]2)(H){1|C<3>,4|C<4>,5|H<1>}	C[6](C[6]C[6]N[5]H)(N[6]C[6]C)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2N[5])	107.5230	0.000	1	107.5230	0.000	1	107.5230	0.000	1	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6]O)(C[6]C[6]FH)(N[6]C[6]C)(H)	C[6](C[6]C[6]N[6]H)(C[6]N[6]O)(F)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6,6a]C[6]O)(C[6]C[6]FH)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6]N[6]H)(C[6]N[6]O)(F)(H){1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6]2N[6])	107.5610	0.000	1	107.5610	0.000	1	107.5610	0.000	1	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]2O)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6]N[6]H)(C[6]N[6]O)(H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6,6a]2O)(C[6]C[6]HH)(N[6]C[6]C)(H){1|N<3>,2|O<1>,4|C<3>}	C[6](C[6]C[6]N[6]H)(C[6]N[6]O)(H)2{1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6]2N[6])	106.6580	0.000	1	106.6580	0.000	1	109.1750	9.172	3	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)(H)2{1|N<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2N[6])	110.4335	2.973	2	110.4335	8.841	2	109.1750	9.172	3	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SNiC)(H)	C[6](C[6]C[6]HS)(C[6]C[6]H)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SNiC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HS)(C[6]C[6]H)(H)2{1|C<4>,1|S<3>,3|H<1>}	H(C[6]C[6]2S)	106.8930	0.000	1	106.8930	0.000	1	106.8930	0.000	1	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:Si-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(SiCC)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]C)(H)2	H(C[6]C[6]2Si)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(SiCC)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]SiH)(C[6]C[6]C)(H)2{1|N<3>,3|H<1>}	H(C[6]C[6]2Si)	107.6670	0.000	1	107.6670	0.000	1	107.6670	0.000	1	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:Si-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(SiCC)(H)	C[6](C[6]C[6]SiH)(N[6]C[6]C)(H)2	H(C[6]C[6]2Si)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(SiCC)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]SiH)(N[6]C[6]C)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2Si)	107.6230	0.000	1	107.6230	0.000	1	106.9925	0.795	2	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:Si-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(SiCC)(H)	C[6](C[6]C[6]SiH)(N[6]C[6]S)(H)2	H(C[6]C[6]2Si)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(SiCC)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]SiH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2Si)	106.3620	0.000	1	106.3620	0.000	1	106.9925	0.795	2	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	108.7485	0.241	2	108.7485	0.058	2	108.7485	0.058	2	107.6797	1.536	184	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:2:1:	4:	C[3x6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]HO)(COO)(H)	C[6](C[6]C[3x6]CH)(C[6]C[6]H)(OC)(H)	H(C[6]C[3x6]C[6]C)	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]HO)(COO)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[3x6]CH)(C[6]C[6]H)(OC)(H){2|C<4>,2|H<1>}	H(C[6]C[3x6]C[6]C)	108.5240	0.000	1	108.5240	0.000	1	108.5240	0.000	1	107.2877	1.596	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(CCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(OO)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(CCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(OO)(H){1|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]C)	107.5050	0.000	1	107.5050	0.000	1	107.3510	0.047	2	107.2877	1.596	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(CCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(OH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(CCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]C)	107.1970	0.000	1	107.1970	0.000	1	107.3510	0.047	2	107.2877	1.596	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(OC[6a])(H)	H(C[6]C[5,6]C[6]N)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(OC[6a])(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]N)	105.7910	0.000	1	105.7910	0.000	1	107.3680	2.142	3	107.2877	1.596	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NHS)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(OC[6])(H)	H(C[6]C[5,6]C[6]N)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NHS)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(OC[6])(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]C[6]N)	108.1565	0.745	2	108.1565	0.554	2	107.3680	2.142	3	107.2877	1.596	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.3175	0.614	2	108.3175	0.378	2	106.5559	2.415	8	107.2877	1.596	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	108.2690	0.000	1	106.1944	1.681	5	106.5559	2.415	8	107.2877	1.596	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2C)	105.6757	0.670	4	106.1944	1.681	5	106.5559	2.415	8	107.2877	1.596	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)2(CCH)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	104.8400	0.000	1	104.8400	0.000	1	106.5559	2.415	8	107.2877	1.596	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|O<2>,2|H<1>,7|C<3>}	H(C[6]C[6a]C[6]2)	107.7120	0.000	1	107.7120	0.000	1	107.7120	0.000	1	107.2877	1.596	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NCH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>}	H(C[6]C[6]2N)	108.1185	0.126	4	108.0528	0.034	5	108.0528	0.034	5	107.2877	1.596	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NCH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>,1|I<1>,1|N<3>}	H(C[6]C[6]2N)	107.7900	0.000	1	108.0528	0.034	5	108.0528	0.034	5	107.2877	1.596	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:2:2:	4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:O[6]-2:O-2:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6a]O[6]O)(C[6a]C[6a]2)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(OH)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6a]O[6]O)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>,4|C<4>}	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(OH){1|Ru<10>,2|C<4>,2|H<1>,6|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.0330	0.000	1	106.0330	0.000	1	106.0330	0.000	1	106.0330	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[3,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6a]C[6]H)(COO)(H)	C[6](C[6]C[3,6]CH)(C[6a]C[6a]2)(C[6]N[6]O)(H)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6a]C[6]H)(COO)(H){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[3,6]CH)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	H(C[6]C[3,6]C[6]C)	109.9050	0.000	1	109.9050	0.000	1	109.9050	0.000	1	107.7527	1.601	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[5]O)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CCH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[5]O)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CCH)(H){1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]C)	107.2540	0.000	1	107.7360	0.465	2	107.4590	0.463	3	107.7527	1.601	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[5]O)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CCH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[5]O)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CCH)(H){2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	108.2180	0.000	1	107.7360	0.465	2	107.4590	0.463	3	107.7527	1.601	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(CCH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(COO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(CCH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]C)	106.9050	0.000	1	106.9050	0.000	1	107.4590	0.463	3	107.7527	1.601	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(CHO)(H)	C[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(CHO)(H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]C)	106.7850	0.000	1	106.7850	0.000	1	106.7850	0.000	1	107.7527	1.601	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,5|C<3>,5|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|O<2>,3|C<4>,4|C<3>,5|H<1>}	H(C[6]C[5,6]C[6a]C[6])	107.0070	0.000	1	107.0070	0.000	1	107.0070	0.000	1	107.7527	1.601	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,4|H<1>,5|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.3390	0.000	1	106.3390	0.000	1	106.3390	0.000	1	107.7527	1.601	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	H(C[6]C[5,6]C[6]N)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(NOO)(H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]N)	108.6460	0.000	1	108.6460	0.000	1	107.9615	0.937	2	107.7527	1.601	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	H(C[6]C[5,6]C[6]N)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6a]C[6]H)(NOO)(H){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]N)	107.2770	0.000	1	107.2770	0.000	1	107.9615	0.937	2	107.7527	1.601	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(COO)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(COO)(H){2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	108.9020	0.000	1	108.9020	0.000	1	108.0710	1.381	2	107.7527	1.601	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CCC)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHO)(H){1|C<3>,1|H<1>,5|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CCC)(H){2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	107.2400	0.000	1	107.2400	0.000	1	108.0710	1.381	2	107.7527	1.601	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CCH)(H)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CCH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	107.5780	0.000	1	107.5780	0.000	1	108.4155	1.403	2	107.7527	1.601	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(COO)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]C)	109.2530	0.000	1	109.2530	0.000	1	108.4155	1.403	2	107.7527	1.601	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,4|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.6510	0.000	1	106.6510	0.000	1	106.6510	0.000	1	107.7527	1.601	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,1|H<1>,6|C<3>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]N)	107.7005	0.182	2	107.9526	0.101	5	107.9526	0.101	5	107.7527	1.601	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,1|H<1>,6|C<3>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]N)	108.0570	0.000	1	107.9526	0.101	5	107.9526	0.101	5	107.7527	1.601	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H){1|H<1>,2|C<4>,5|C<3>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]N)	107.8750	0.000	1	107.9526	0.101	5	107.9526	0.101	5	107.7527	1.601	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H){7|C<3>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Br<1>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]N)	108.4300	0.000	1	107.9526	0.101	5	107.9526	0.101	5	107.7527	1.601	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]2O[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]2O[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,3|H<1>,6|C<3>}	H(C[6]C[6,6]C[6a]C[6])	104.1200	0.000	1	104.1200	0.000	1	104.1200	0.000	1	107.7527	1.601	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:B[5]-3:H-1:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(B[5]O[5]2)(H)	C[6](C[6]B[5]C[6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	H(C[6]B[5]C[6]2)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(B[5]O[5]2)(H){2|C<4>,5|C<3>}	C[6](C[6]B[5]C[6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){2|O<2>,4|C<3>,4|H<1>}	H(C[6]B[5]C[6]2)	108.1660	0.000	1	108.1660	0.000	1	108.1660	0.000	1	107.7527	1.601	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[5]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(CCH)(H)	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]C)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.5410	0.317	4	107.5410	0.100	4	107.5410	0.100	4	107.7527	1.601	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.9360	0.000	1	107.9360	0.000	1	108.1943	0.051	3	107.7527	1.601	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CNO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(COO)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CNO)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	108.3235	0.050	2	108.3235	0.003	2	108.1943	0.051	3	107.7527	1.601	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CO)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]2)(C[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]2H)(C[6]C[6]CO)(CCO)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]2)(C[6]C[6]C)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2C)	107.9740	0.000	1	107.9740	0.000	1	107.9740	0.000	1	107.7527	1.601	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HN)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(NCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(COO)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(NCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.5660	1.082	2	108.5660	1.170	2	108.1093	0.699	4	107.7527	1.601	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[5a]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(NCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[5a]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(NCH)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.8660	0.000	1	107.8660	0.000	1	108.1093	0.699	4	107.7527	1.601	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]S[6]HH)(CN[5]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(NCC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HN)(C[6]S[6]HH)(CN[5]O)(H){2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(NCC)(H){1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2C)	107.4390	0.000	1	107.4390	0.000	1	108.1093	0.699	4	107.7527	1.601	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCC)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.7580	0.000	1	106.7580	0.000	1	107.1433	0.126	3	107.7527	1.601	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCC)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]H)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.4550	0.000	1	107.4550	0.000	1	107.1433	0.126	3	107.7527	1.601	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(CCH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]H)(COO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	107.2170	0.000	1	107.2170	0.000	1	107.1433	0.126	3	107.7527	1.601	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]2H)(C[6]N[6]O)(N[6]N[6]C)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]N[6]O)(N[6]N[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]3)	104.5070	0.000	1	104.5070	0.000	1	104.5070	0.000	1	107.7527	1.601	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,7|C<3>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	H(C[6]C[6a]C[6]2)	107.4420	0.000	1	107.4420	0.000	1	107.4420	0.000	1	107.7527	1.601	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPtH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(NPtH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPtH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(NPtH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	110.1910	0.000	1	110.1910	0.000	1	107.9756	3.562	7	107.7527	1.601	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NSnC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(NSnC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NSnC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(NSnC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	104.0620	0.000	1	104.0620	0.000	1	107.9756	3.562	7	107.7527	1.601	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(NOO)(H)	C[6](C[6]C[6]HN)(C[6]C[6]C)(NCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(NOO)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]HN)(C[6]C[6]C)(NCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2N)	108.1370	0.140	2	108.1370	0.020	2	107.9756	3.562	7	107.7527	1.601	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(NOO)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(NCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(NOO)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(NCH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2N)	108.4340	0.471	3	108.4340	0.222	3	107.9756	3.562	7	107.7527	1.601	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N[5]H)(NOO)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(N[5]C[5]2)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N[5]H)(NOO)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(N[5]C[5]2)(H){1|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6]2N)	109.2940	0.000	1	109.2940	0.000	1	109.2940	0.000	1	107.7527	1.601	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]CH)(NOO)(H)	C[6](C[6]C[6]HN)(N[6]C[6]C)(COO)(H)	H(C[6]C[6]2N)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]CH)(NOO)(H){2|C<4>,4|C<3>}	C[6](C[6]C[6]HN)(N[6]C[6]C)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2N)	110.1160	0.000	1	110.1160	0.000	1	110.1160	0.000	1	107.7527	1.601	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:3:1:	4:	C[6]-4:N[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6]HH)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]H)(H){2|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	108.3430	0.000	1	108.3430	0.000	1	108.3430	0.000	1	107.7527	1.601	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:3:2:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:C-2:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O)(CN)	H(C[6]C[6]3)	C[6](C[6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<2>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O)(CN){1|Cl<1>,1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]3)	106.5830	0.000	1	106.5830	0.000	1	106.5830	0.000	1	106.5830	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:3:3:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:C-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CC)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(COO)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CC)(COO)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(COO)2{1|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]C)	105.0380	0.000	1	105.0380	0.000	1	105.0380	0.000	1	105.0380	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]Br)(CHHO)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH)(H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]CH)(C[6]C[6]Br)(CHHO)(H){2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	108.3040	0.000	1	108.1375	0.055	2	107.3123	2.070	3	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]Br)(CHHO)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH)(H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]Br)(CHHO)(H){2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.9710	0.000	1	108.1375	0.055	2	107.3123	2.070	3	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6]H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(CCHH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6]H)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(CCHH)(H){2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	105.6620	0.000	1	105.6620	0.000	1	107.3123	2.070	3	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(CHO)(H)	C[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(CHO)(H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]C)	108.6680	0.000	1	108.6680	0.000	1	108.6680	0.000	1	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,6]C)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]N[5,6]C)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<2>,1|N<2>,3|H<1>,7|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,2|C<2>,2|H<1>,5|C<3>}	H(C[6]C[5,6]C[6a]C[6])	107.7990	0.000	1	107.7990	0.000	1	106.2674	1.060	5	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,5|H<1>,6|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,4|H<1>,6|C<3>}	H(C[6]C[5,6]C[6a]C[6])	105.7810	0.000	1	106.1415	0.260	2	106.2674	1.060	5	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,4|H<1>,8|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|H<1>,7|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.5020	0.000	1	106.1415	0.260	2	106.2674	1.060	5	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){2|O<1>,4|H<1>,8|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|H<1>,7|C<3>}	H(C[6]C[5,6]C[6a]C[6])	105.6275	0.885	2	105.6275	0.783	2	106.2674	1.060	5	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[5,6]C[6]N)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(NOO)(H){3|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]N)	108.0865	0.207	2	108.0865	0.043	2	108.1837	0.150	10	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[5,6]C[6]N)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(NOO)(H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]N)	108.0980	0.032	3	108.0542	0.019	5	108.1837	0.150	10	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[5,6]C[6]N)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(NOO)(H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]N)	107.9885	0.247	2	108.0542	0.019	5	108.1837	0.150	10	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[5,6]C[6]N)	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]N)	108.1275	0.463	2	108.1275	0.215	2	108.1837	0.150	10	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]2O[6])(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[5,6]C[6]N)	C[6](C[5,6]C[5]2O[6])(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,1|H<1>,2|O<1>,5|C<3>}	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(C[6]C[5,6]C[6]N)	109.1380	0.000	1	109.1380	0.000	1	108.1837	0.150	10	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(CH3)(H)	H(C[6]C[5]C[6]N[6])	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(CH3)(H){1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[5]C[6]N[6])	106.7620	0.387	2	106.7620	0.150	2	106.7620	0.150	2	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	107.0320	0.000	2	107.0320	0.000	2	108.0870	2.286	12	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	109.2405	1.299	6	108.6774	2.354	8	108.0870	2.286	12	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	106.9880	0.655	2	108.6774	2.354	8	108.0870	2.286	12	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHN)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CH3)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHN)(H){1|C<3>,1|H<1>,5|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CH3)(H){2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	106.4360	0.000	1	106.4360	0.000	1	108.0870	2.286	12	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CN[5]O)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CCCH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CN[5]O)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CCCH)(H){2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	107.1250	0.000	1	107.1250	0.000	1	108.0870	2.286	12	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(CHO)(H)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(CHO)(H){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]C)	108.6830	0.000	1	108.6830	0.000	1	108.6830	0.000	1	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]N)	108.1580	0.161	2	108.1580	0.026	2	108.6573	0.356	7	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(NOO)(H){3|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]N)	108.4800	0.000	1	108.4800	0.000	1	108.6573	0.356	7	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]N)	108.0750	0.000	1	108.0750	0.000	1	108.6573	0.356	7	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H){1|H<1>,3|C<4>,4|C<3>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]N)	109.2370	0.460	2	109.2370	0.211	2	108.6573	0.356	7	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)(NOO)(H){3|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]N)	109.2560	0.000	1	109.2560	0.000	1	108.6573	0.356	7	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6,6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6,6]C[6]3)(NOO)(H)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6]C[6a]C[6]H)(C[6,6]C[6]3)(NOO)(H){2|C<4>,3|C<3>,8|H<1>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|S<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]N)	107.5340	0.000	1	107.5340	0.000	1	107.5340	0.000	1	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:B[5]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(B[5]O[5]2)(H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H)	H(C[6]B[5]C[6]2)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(B[5]O[5]2)(H){1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]B[5]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H){1|C<4>,2|O<2>,4|H<1>}	H(C[6]B[5]C[6]2)	107.0734	1.129	5	107.0734	1.274	5	107.1420	1.047	6	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:B[5]-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(B[5]O[5]2)(H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]O)(CH3)(H)	H(C[6]B[5]C[6]2)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(B[5]O[5]2)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]B[5]C[6]H)(C[6]C[6]O)(CH3)(H){1|C<4>,2|O<2>,4|H<1>}	H(C[6]B[5]C[6]2)	107.4850	0.000	1	107.4850	0.000	1	107.1420	1.047	6	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[3,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]C[6a]H)(C[6]C[5,6]HH)(COO)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[3,6]C[6a]H)(C[6]C[5,6]HH)(COO)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[3,6]C[3,6]O[3]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2C)	109.1820	0.000	1	109.1820	0.000	1	109.1820	0.000	1	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CH)(CHO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CH)(CHO)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){3|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2C)	108.3030	0.218	2	108.3030	0.047	2	108.5760	0.267	4	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(CHO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(CHO)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6]2C)	108.3720	0.000	1	108.3720	0.000	1	108.5760	0.267	4	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(COO)(H)	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(COO)(H){1|C<4>,4|C<3>}	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,2|N<3>,2|O<1>,2|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	109.3260	0.000	1	109.3260	0.000	1	108.5760	0.267	4	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCCH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.4120	0.000	1	107.4120	0.000	1	108.0097	0.656	21	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCC)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H){2|H<1>,2|O<2>}	H(C[6]C[6]2C)	106.1050	0.000	1	106.1050	0.000	1	108.0097	0.656	21	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCH)(H){2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6]HH)(H){2|H<1>,2|O<2>}	H(C[6]C[6]2C)	107.7405	0.026	2	107.7405	0.001	2	108.0097	0.656	21	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6a]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCH)(H){2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6a]HH)(H){2|H<1>,2|O<2>}	H(C[6]C[6]2C)	108.0740	0.000	1	108.0740	0.000	1	108.0097	0.656	21	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.2730	0.000	1	107.2730	0.000	1	108.0097	0.656	21	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(CCH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6]HH)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2C)	109.8550	0.000	1	109.8550	0.000	1	108.0097	0.656	21	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(CCH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6]HH)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2C)	107.3040	0.000	1	107.3040	0.000	1	108.0097	0.656	21	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(CCO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2C)	108.7030	0.000	1	108.7030	0.000	1	108.0097	0.656	21	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CC[6a]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(CC[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)(H){1|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.3740	0.000	1	107.3740	0.000	1	108.0097	0.656	21	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CNO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(CNO)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	109.0180	0.000	1	109.0180	0.000	1	108.0097	0.656	21	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(COO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.6300	0.000	1	107.6300	0.000	1	108.0097	0.656	21	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(COO)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCCH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	108.0065	1.365	2	108.0065	1.864	2	108.0097	0.656	21	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(COO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	108.4800	0.000	1	108.2990	0.017	5	108.0097	0.656	21	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(COO)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	108.2537	0.094	4	108.2990	0.017	5	108.0097	0.656	21	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(COO)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	108.2330	0.192	2	108.2330	0.037	2	108.0097	0.656	21	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(SCOO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(COO)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(SCOO)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.2320	0.000	1	107.2320	0.000	1	107.2320	0.000	1	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(CCO)(H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(CCO)(H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6]2C)	108.9590	0.000	1	108.9590	0.000	1	107.8519	2.631	9	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(CCO)(H)	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(CCO)(H){2|H<1>,6|C<3>}	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6]2C)	107.5000	0.000	1	107.5000	0.000	1	107.8519	2.631	9	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(CHO)(H)	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(CHO)(H){2|H<1>,6|C<3>}	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6]2C)	108.0620	0.000	1	108.5570	0.490	2	107.8519	2.631	9	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(CHO)(H)	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(CHO)(H){2|H<1>,6|C<3>}	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2C)	109.0520	0.000	1	108.5570	0.490	2	107.8519	2.631	9	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CHO)(H)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CHO)(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.4470	1.506	2	108.4470	2.268	2	107.8519	2.631	9	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(CHO)(H)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(CHO)(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	109.4820	0.000	1	109.4820	0.000	1	107.8519	2.631	9	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(CCC)(H)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(CCC)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]CH)(H){4|C<3>,4|H<1>}	H(C[6]C[6]2C)	105.6330	0.000	1	105.6330	0.000	1	107.8519	2.631	9	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CNO)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CNO)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,4|C<3>,6|H<1>}	H(C[6]C[6]2C)	105.0850	0.000	1	105.0850	0.000	1	107.8519	2.631	9	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(COO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[5a]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(COO)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[5a]HH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	103.7212	0.353	4	103.7212	0.124	4	104.1816	1.153	5	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCC)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CHHO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]H)(CHHO)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.0230	0.000	1	106.0230	0.000	1	104.1816	1.153	5	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5]C[6]H)(NOO)(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5]C[6]H)(NOO)(H){1|Fe<10>,1|H<1>,4|C<3>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2N)	109.2540	0.000	1	109.2540	0.000	1	108.4901	0.726	14	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]CH)(NOO)(H)	C[6](C[5,6]N[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]CH)(NOO)(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2N)	108.0880	0.000	1	108.0880	0.000	1	108.4901	0.726	14	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(NOO)(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|O<2>,2|O<1>,4|C<3>,5|H<1>}	H(C[6]C[6]2N)	109.2685	0.517	2	109.2563	0.134	3	108.4901	0.726	14	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(NOO)(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2N)	109.2320	0.000	1	109.2563	0.134	3	108.4901	0.726	14	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]2N)	108.0330	0.058	3	107.7443	0.154	6	108.4901	0.726	14	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2N)	107.2630	0.204	2	107.7443	0.154	6	108.4901	0.726	14	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H){1|H<1>,2|C<4>,6|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2N)	107.8410	0.000	1	107.7443	0.154	6	108.4901	0.726	14	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H){2|H<1>,7|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,1|N<3>,2|C<4>,2|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2N)	108.6055	0.144	2	108.6055	0.021	2	108.4901	0.726	14	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]CH)(NOO)(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]CH)(NOO)(H){2|C<4>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,2|N<3>,2|O<1>,3|C<3>,5|H<1>}	H(C[6]C[6]2N)	110.0730	0.000	1	110.0730	0.000	1	108.4901	0.726	14	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[5a]H)(C[6]C[6,6]HO)(NOO)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]C[5a]H)(C[6]C[6,6]HO)(NOO)(H){2|C<3>,2|H<1>,3|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	108.5170	0.000	1	108.5170	0.000	1	108.5170	0.000	1	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6,6]C[6,6]2H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(NOO)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6]2N)	108.7837	0.445	3	108.7837	0.198	3	108.4670	0.400	5	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(NOO)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6]2N)	108.4670	0.000	1	108.4670	0.000	1	108.4670	0.400	5	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2N)	107.5170	0.000	1	107.5170	0.000	1	108.4670	0.400	5	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]O)(CH3)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]O)(CH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.2410	0.000	1	107.2410	0.000	1	107.2410	0.000	1	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H){1|H<1>,2|C<4>,6|C<3>}	C[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2N)	107.9040	0.000	1	107.9040	0.000	1	108.4218	2.213	16	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2N)	108.0460	0.070	3	107.7140	0.222	5	108.4218	2.213	16	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2N)	107.2160	0.225	2	107.7140	0.222	5	108.4218	2.213	16	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2N)	107.4770	0.000	1	107.4770	0.000	1	108.4218	2.213	16	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)(NOO)(H)	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)(NOO)(H){2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6]2N)	109.5290	0.000	1	109.5290	0.000	1	108.4218	2.213	16	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(NOO)(H)	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(NOO)(H){1|H<1>,5|C<3>}	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2N)	104.9980	0.000	1	107.1965	9.667	2	108.4218	2.213	16	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(NOO)(H)	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(NOO)(H){1|H<1>,5|C<3>}	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2N)	109.3950	0.000	1	107.1965	9.667	2	108.4218	2.213	16	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(NOO)(H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(NOO)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2N)	109.5995	1.575	2	109.6633	1.252	3	108.4218	2.213	16	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(NOO)(H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(NOO)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2N)	109.7910	0.000	1	109.6633	1.252	3	108.4218	2.213	16	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(NOO)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2N)	110.8380	0.000	1	110.8380	0.000	1	108.4218	2.213	16	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]CH)(NOO)(H)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]CH)(NOO)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6]2N)	107.5870	0.000	1	107.5870	0.000	1	108.4218	2.213	16	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	C[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)2(NOO)(H){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){2|C<4>,2|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2N)	109.4600	0.000	1	109.4600	0.000	1	108.4218	2.213	16	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(NCH)(H)	C[6](C[6]C[6]HN)(N[6]C[6]H)(CHHO)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(NCH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(N[6]C[6]H)(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	106.9930	0.000	1	106.9930	0.000	1	106.9930	0.000	1	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:N[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(N[5a]C[5a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2N[5])	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[6]C[6]N[5]H)(N[5a]C[5a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	107.4460	0.171	2	107.4460	0.029	2	107.4460	0.029	2	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:N[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(N[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2N[5])	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[6]C[6]N[5]H)(N[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	107.7720	0.000	1	107.7720	0.000	1	107.7720	0.000	1	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(N[6]C[6]2)(H)	C[6](C[6]C[6]N[6]H)(N[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2N[6])	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(N[6]C[6]2)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[6]C[6]N[6]H)(N[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	H(C[6]C[6]2N[6])	106.6061	1.308	8	106.6061	1.711	8	106.6061	1.711	8	107.8168	1.926	138	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CCO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CCO)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(OH){2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	107.5892	0.219	5	107.5892	0.048	5	107.5892	0.048	5	108.3796	0.453	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:C-4:O-2:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(CC[5a]O)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(CC[5a]O)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2C)	108.4230	0.391	6	108.4230	0.153	6	108.6431	0.304	15	108.3796	0.453	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:C-4:O-2:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(CC[6a]O)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(CC[6a]O)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2C)	108.3605	0.030	2	108.3605	0.001	2	108.6431	0.304	15	108.3796	0.453	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:C-4:O-2:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(COO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(COO)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2C)	108.6110	0.737	4	108.9124	0.422	7	108.6431	0.304	15	108.3796	0.453	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:C-4:O-2:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(COO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(COO)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	H(C[6]C[6]2C)	109.3143	0.168	3	108.9124	0.422	7	108.6431	0.304	15	108.3796	0.453	20	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:3:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CC[5]O)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)(CCH)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CC[5]O)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)(CCH){1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]C)	107.9840	0.000	1	107.9840	0.000	1	107.9840	0.000	1	107.3333	3.163	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:3:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CH3)(CCO)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(COO)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CH3)(CCO){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	105.3210	0.000	1	105.3210	0.000	1	105.3210	0.000	1	107.3333	3.163	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:3:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(CNO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(CNO)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(CNO)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(CNO){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	108.6950	0.000	1	108.6950	0.000	1	108.6950	0.000	1	107.3333	3.163	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]C)	105.1010	0.000	1	105.1010	0.000	1	105.1010	0.000	1	106.1240	2.093	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2{2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.1470	0.000	1	107.1470	0.000	1	107.1470	0.000	1	106.1240	2.093	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](CC[5a]C[6a]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](CC[5a]C[6a]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	108.4450	0.000	1	108.4450	0.000	1	107.6867	1.469	3	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](CC[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](CC[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	108.3260	0.000	1	108.3260	0.000	1	107.6867	1.469	3	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](CC[6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](CC[6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	106.2890	0.000	1	106.2890	0.000	1	107.6867	1.469	3	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6,6]C[3]C)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3,6,6]C[3]C)(C[6]C[6]HH)(CCC)(H){2|C<4>,4|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[3,6]C[6]C)	105.6000	0.000	1	105.6000	0.000	1	105.6000	0.000	1	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(NCH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[3,6]HN)(H)2	H(C[6]C[3,6]C[6]N)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[3,6]HN)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[3,6]C[6]N)	108.0660	0.000	1	108.0660	0.000	1	108.0660	0.000	1	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]N)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(NHS)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]N)	107.2260	0.255	2	107.2260	0.065	2	107.3900	0.067	4	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(NCC)(H)	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]N)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(NCC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[3,6]C[6]N)	107.6760	0.000	1	107.6760	0.000	1	107.3900	0.067	4	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]N)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[3,6]C[6]N)	107.4320	0.000	1	107.4320	0.000	1	107.3900	0.067	4	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]C)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(COO)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[3x6]C[6]C)	108.1890	0.250	2	108.1890	0.063	2	107.9600	0.189	3	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]HH)(CCH)(H)	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]C)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]HH)(CCH)(H){1|B<4>,1|C<3>,2|C<4>,7|H<1>}	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]C)	107.5020	0.000	1	107.5020	0.000	1	107.9600	0.189	3	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[6,6]3)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[3x6]N[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[3x6]C[6]N[6])	C[6](C[3x6]C[6,6]3)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,1|O<2>,4|C<4>,7|H<1>}	C[6](C[6]C[3x6]N[6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]N[6])	107.3240	0.000	1	107.3240	0.000	1	107.3240	0.000	1	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[4,6]C[6a]H)(H)2	H(C[6]C[4,6]C[6a]C[6])	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[4,6]C[6a]H)(H)2{1|C<4>,3|H<1>,7|C<3>}	H(C[6]C[4,6]C[6a]C[6])	112.6610	0.000	1	112.6610	0.000	1	112.6610	0.000	1	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(CHO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]CH)(H)2	H(C[6]C[4x6]C[6]C)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(CHO)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]CH)(H)2{3|C<3>,4|C<4>}	H(C[6]C[4x6]C[6]C)	106.8280	0.304	2	106.8280	0.092	2	106.8280	0.092	2	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[4x6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(CHO)(H)	C[6](C[6]C[4x6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[4x6]C[6]C)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(CHO)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[4x6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[4x6]C[6]C)	106.9510	0.000	1	106.9510	0.000	1	106.9510	0.000	1	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]N[5,6]N[5])(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]C)	C[6](C[5,5,6]C[5,5]N[5,6]N[5])(C[6]C[6]HH)(COO)(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|N<3>}	H(C[6]C[5,5,6]C[6]C)	106.8870	0.000	1	106.8870	0.000	1	106.8870	0.000	1	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(COO)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(COO)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]CH)(H)2{1|C<3>,1|N<3>,4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]C)	105.0340	0.000	1	105.7326	1.989	7	105.7326	1.989	7	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(COO)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(COO)(H){1|N<3>,2|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]CH)(H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]C)	104.8940	0.000	1	105.7326	1.989	7	105.7326	1.989	7	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(COO)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(COO)(H){1|N<3>,2|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]CH)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]C)	106.9555	2.542	2	105.7326	1.989	7	105.7326	1.989	7	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(COO)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(COO)(H){1|N<3>,2|H<1>,3|C<4>,4|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]CH)(H)2{1|C<3>,1|N<3>,4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]C)	105.6830	0.793	2	105.7326	1.989	7	105.7326	1.989	7	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(COO)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(COO)(H){1|N<3>,2|H<1>,3|C<4>,4|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]CH)(H)2{1|N<3>,4|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]C)	104.9230	0.000	1	105.7326	1.989	7	105.7326	1.989	7	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]ClH)(CCO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]ClH)(CCO)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(Cl)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.9150	0.000	1	107.5940	0.206	2	107.5940	0.206	2	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]ClH)(CCO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]ClH)(CCO)(H){3|C<4>,5|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(Cl)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.2730	0.000	1	107.5940	0.206	2	107.5940	0.206	2	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]N[5,6]C)(C[6]C[6]HH)(CN[6]O)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,5]N[5,6]C)(C[6]C[6]HH)(CN[6]O)(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]C)	107.8710	0.000	1	107.8710	0.000	1	107.4375	0.804	57	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(CCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(CCH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]C)	107.5160	0.000	1	107.5160	0.000	1	107.4375	0.804	57	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CCC)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]CH)(H)2{5|C<4>}	H(C[6]C[5,6]C[6]C)	106.2090	0.000	1	106.2090	0.000	1	107.4375	0.804	57	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(COO)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]C)	108.2820	0.141	2	108.2820	0.020	2	107.4375	0.804	57	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6a]O[5]H)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6,6a]O[5]H)(C[6]C[6]HH)(CCC)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5,6]C[6]C)	108.3200	0.000	1	108.3200	0.000	1	107.4375	0.804	57	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H){1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]C)	105.6590	0.000	1	106.0204	0.193	7	107.4375	0.804	57	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H){2|C<4>,6|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]C)	106.1000	0.498	5	106.0204	0.193	7	107.4375	0.804	57	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H){2|C<4>,6|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]C)	105.9840	0.000	1	106.0204	0.193	7	107.4375	0.804	57	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H){1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HO)(H)2{1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]C)	106.3230	0.000	1	106.3230	0.000	1	107.4375	0.804	57	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]C)	107.2880	0.000	1	107.2880	0.000	1	107.4375	0.804	57	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]C)	106.9610	0.810	2	106.9610	0.657	2	107.4375	0.804	57	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]C)	107.3030	1.597	2	107.3030	2.549	2	107.4375	0.804	57	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]O)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]O)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]C)	106.8213	0.408	3	106.8213	0.166	3	107.4375	0.804	57	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]C)	108.0250	0.000	1	108.0250	0.000	1	107.4375	0.804	57	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]BrH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H){1|Br<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]BrH)(H)2{1|Br<1>,1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]C)	109.0980	0.000	1	109.0980	0.000	1	107.4375	0.804	57	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]C)	106.8330	0.632	2	106.8330	0.400	2	107.4375	0.804	57	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CCH)(H)	C[6](C[6]C[5,6]CH)2(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CCH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]C)	108.6610	0.000	1	108.6610	0.000	1	107.4375	0.804	57	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]HH)(COS)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]HH)(COS)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.2605	0.442	2	107.2605	0.195	2	107.4375	0.804	57	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]C[6]HH)(CC[6a]O)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]C[6]HH)(CC[6a]O)(H){1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[5,6]CH)(H)2{6|C<3>}	H(C[6]C[5,6]C[6]C)	107.9330	0.000	1	107.9330	0.000	1	107.4375	0.804	57	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]C[6]HH)(COO)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[5,6]CH)(H)2{1|N<3>,3|C<3>}	H(C[6]C[5,6]C[6]C)	106.4640	0.000	1	106.4640	0.000	1	107.4375	0.804	57	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HS)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]HH)(COO)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HS)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]C)	108.3040	0.000	1	108.3040	0.000	1	107.4375	0.804	57	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]N[5,6]C)(C[6]C[6]HH)(CN[6]O)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]N[5,6]C)(C[6]C[6]HH)(CN[6]O)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[5,6]C[6]C)	107.3560	0.382	2	107.3560	0.146	2	107.4375	0.804	57	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CC[6a]C)(H)	C[6](C[6]C[5,6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CC[6a]C)(H){1|C<4>,2|N<3>,2|O<1>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]C)	107.8020	0.000	1	107.8020	0.000	1	107.4375	0.804	57	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.2030	0.000	1	107.2030	0.000	1	107.4375	0.804	57	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	106.5100	0.000	1	106.5100	0.000	1	107.4375	0.804	57	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CH)(H)2{1|C<4>,2|N<2>,4|C<3>}	H(C[6]C[5,6]C[6]C)	107.8585	0.054	2	107.8585	0.003	2	107.4375	0.804	57	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(COO)(H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.0120	0.000	1	107.0120	0.000	1	107.4375	0.804	57	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(COO)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[5,6]C[6]C)	107.7250	0.294	2	107.7250	0.087	2	107.4375	0.804	57	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(COO)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	108.1804	0.070	7	108.1804	0.005	7	107.4375	0.804	57	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(CCN)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(CCN)(H){2|H<1>,5|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]C)	106.9760	0.000	1	106.9760	0.000	1	107.4375	0.804	57	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(COO)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]C)	107.6190	0.438	2	107.6190	0.192	2	107.4375	0.804	57	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CCN)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CCN)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[5,6]C[6]C)	108.1690	0.000	1	108.1690	0.000	1	107.4375	0.804	57	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(COO)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{2|C<4>,3|O<2>}	H(C[6]C[5,6]C[6]C)	108.5920	0.000	1	108.5920	0.000	1	107.4375	0.804	57	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]O)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]O[5,6]O[5]O)(C[6]C[6]HH)(COO)(H){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,3|O<2>}	H(C[6]C[5,6]C[6]C)	108.4660	0.230	3	108.4660	0.053	3	107.4375	0.804	57	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)(O)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){3|C<4>,5|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)(O){1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.7155	0.665	2	107.7155	0.443	2	107.7155	0.443	2	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(CCH)(H)	C[6](C[6]C[5,6]CH)(N[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(CCH)(H){1|N<4>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]CH)(N[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	106.0620	0.000	1	106.0620	0.000	1	106.0620	0.000	1	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[5,6]C[6a]H)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,3|C<4>,9|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[5,6]C[6a]H)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6a]C[6])	106.0090	0.000	1	106.0090	0.000	1	106.0090	0.000	1	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[5,6]C[6a]H)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|N<3>,3|C<3>,7|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[5,6]C[6a]H)(H)2{3|C<4>,5|C<3>}	H(C[6]C[5,6]C[6a]C[6])	107.3690	0.000	1	107.3690	0.000	1	107.3690	0.000	1	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]2)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]2)(H)2{1|H<1>,4|C<3>,4|C<4>}	H(C[6]C[5,6]C[6a]C[6])	107.2940	0.631	2	106.8000	0.332	6	106.8000	0.332	6	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]2)(H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]2)(H)2{2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.5530	0.420	4	106.8000	0.332	6	106.8000	0.332	6	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]BrH)(C[6a]C[6a]2)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]CO)(Br)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]BrH)(C[6a]C[6a]2)(H){2|O<2>,5|C<3>,5|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]CO)(Br)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6a]C[6])	104.3900	0.127	2	104.3900	0.016	2	104.3900	0.016	2	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(NCH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HN)(H)2	H(C[6]C[5,6]C[6]N)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(NCH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HN)(H)2{1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]N)	107.0810	0.000	2	107.0810	0.000	2	107.0810	0.000	2	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[3,5,6]C[5,5,6]H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[3,6]CH)(C[6]C[5,6]HN)(H)2	H(C[6]C[5,6]C[6]N)	C[6](C[5,6]C[3,5,6]C[5,5,6]H)(C[6]C[6]HH)(NOO)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[5,6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]N)	109.9140	0.000	1	109.9140	0.000	1	108.3667	3.385	16	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HN)(H)2	H(C[6]C[5,6]C[6]N)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(NCH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]N)	107.9470	0.000	1	107.9470	0.000	1	108.3667	3.385	16	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]N)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(NOO)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HN)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]N)	109.3380	0.000	1	109.3380	0.000	1	108.3667	3.385	16	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(NCS)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]CC)(H)2	H(C[6]C[5,6]C[6]N)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(NCS)(H){2|H<1>,6|C<4>}	C[6](C[6]C[5,6]HN)(C[6]C[6]CC)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]N)	109.7610	0.000	1	109.7610	0.000	1	108.3667	3.385	16	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]N)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(NCH)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HN)(C[6]C[6]CH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]N)	112.9060	0.000	1	112.9060	0.000	1	108.3667	3.385	16	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]N)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(NHS)(H){1|C<4>,1|O<2>,1|S<2>,3|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2{1|C<4>,2|H<1>,2|S<2>}	H(C[6]C[5,6]C[6]N)	107.8960	0.000	1	107.8960	0.000	1	108.3667	3.385	16	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HN)(H)2	H(C[6]C[5,6]C[6]N)	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(NHS)(H){1|Se<2>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HN)(H)2{2|Se<2>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]N)	108.2557	0.349	3	108.2557	0.121	3	108.3667	3.385	16	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]N)	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(NHS)(H){1|Se<2>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2{2|Se<2>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]N)	108.5050	0.000	1	108.3480	0.049	2	108.3667	3.385	16	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]N)	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(NHS)(H){1|Se<2>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2{2|Se<2>,3|C<4>}	H(C[6]C[5,6]C[6]N)	108.1910	0.000	1	108.3480	0.049	2	108.3667	3.385	16	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]N)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(NHS)(H){1|Se<2>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2{2|Se<2>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]N)	107.9010	0.000	1	107.9010	0.000	1	108.3667	3.385	16	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(NCS)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]N)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(NCS)(H){1|C<3>,2|C<4>,8|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]N)	106.0490	0.112	2	106.0490	0.012	2	108.3667	3.385	16	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(NC[6a]H)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]HN)(H)2	H(C[6]C[5,6]C[6]N)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(NC[6a]H)(H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]HN)(H)2{1|C<4>,6|C<3>}	H(C[6]C[5,6]C[6]N)	104.9760	0.000	1	104.9760	0.000	1	108.3667	3.385	16	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(NHO)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]N)	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(NHO)(H){2|H<1>,6|C<3>}	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[5,6]C[6]N)	109.6680	0.000	1	109.6680	0.000	1	108.3667	3.385	16	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[6](C[6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]N[5])	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[6](C[6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]N[5])	106.5426	1.154	5	106.5426	1.331	5	106.5426	1.331	5	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|B<3>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5]C[6]2)	107.6270	0.000	1	107.6270	0.000	1	107.2027	2.404	19	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[5]C[6]2)	106.1810	0.000	1	106.1810	0.000	1	107.2027	2.404	19	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]HH)(C[6]C[6]2)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]HH)(C[6]C[6]2)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5]C[6]2)	107.5370	0.000	1	107.5370	0.000	1	107.2027	2.404	19	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5]C[6]2)	105.5980	0.293	2	105.5980	0.086	2	107.2027	2.404	19	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5,6a]C[6a]O[5])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]C[6a]O[5])(C[6]C[6]HH)(C[6]C[6]C)(H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5]C[6]2)	104.6540	0.000	1	104.6540	0.000	1	107.2027	2.404	19	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[5]C[6]2)	107.8495	0.257	2	107.8495	0.066	2	107.2027	2.404	19	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[6]C[5]C[6]2)	108.1220	0.228	2	108.1220	0.052	2	107.2027	2.404	19	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[5]C[6]2)	105.2390	0.000	1	106.3803	1.030	3	107.2027	2.404	19	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[5]C[6]2)	106.9510	0.325	2	106.3803	1.030	3	107.2027	2.404	19	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[5]C[6]2)	107.9530	0.000	1	107.9530	0.000	1	107.2027	2.404	19	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6]H)(C[6]O[6]CH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]O[6]CH)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5]C[6]2)	110.2800	0.000	1	110.2800	0.000	1	107.2027	2.404	19	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[6a]C[5]N[5])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[6a]C[5]N[5])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[5]C[6]2)	106.5530	0.206	3	106.5530	0.042	3	107.2027	2.404	19	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[6a]C[5]O[5])(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[6a]C[5]O[5])(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[5]C[6]2)	110.6800	0.000	1	110.6800	0.000	1	107.2027	2.404	19	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]HH)(N[6]C[6]C)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[5]N[6]H)(H)2	H(C[6]C[5]C[6]N[6])	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]HH)(N[6]C[6]C)(H){2|C<4>,3|O<2>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5]N[6]H)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5]C[6]N[6])	107.7310	0.042	2	107.7310	0.002	2	107.7310	0.002	2	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:B[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(B[5]O[5]2)(H)	C[6](C[6]C[6,6]B[5]H)(C[6]C[6,6]CC)(H)2	H(C[6]C[6,6]B[5]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(B[5]O[5]2)(H){2|H<1>,8|C<4>}	C[6](C[6]C[6,6]B[5]H)(C[6]C[6,6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]B[5]C[6])	103.6040	0.000	1	103.6040	0.000	1	103.6040	0.000	1	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(CCO)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(CCO)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]C)	107.8190	0.000	1	107.8190	0.000	1	107.8190	0.000	1	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(CCO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(CCO)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(Cl)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	108.4037	0.407	3	108.4037	0.166	3	108.4037	0.166	3	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(COO)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]C)	107.6750	0.000	1	107.6750	0.000	1	107.5317	7.413	61	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(COO)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2{2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]C)	107.4390	0.000	1	107.4390	0.000	1	107.5317	7.413	61	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCC)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]C)	107.0850	0.000	1	107.0850	0.000	1	107.5317	7.413	61	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CHO)(H)	C[6](C[6]C[6,6]CH)(C[6]N[5,6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CHO)(H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]N[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]C)	108.6260	0.000	1	108.6260	0.000	1	107.5317	7.413	61	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]N[6,6]C)(C[6]C[6]HH)(CC[5a]O)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6]N[6,6]C)(C[6]C[6]HH)(CC[5a]O)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]C)	106.4870	0.000	1	106.4870	0.000	1	107.5317	7.413	61	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(CC[5a]O)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(CC[5a]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]C)	110.6790	0.000	1	110.6790	0.000	1	107.5317	7.413	61	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(CC[6a]O)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(CC[6a]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]C)	107.6390	0.000	1	107.6390	0.000	1	107.5317	7.413	61	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(CN[6]O)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(CN[6]O)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]C)	107.9470	0.727	2	107.9470	0.528	2	107.5317	7.413	61	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCO)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.9280	0.000	1	107.9280	0.000	1	107.5317	7.413	61	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(COO)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]C)	110.4230	0.000	1	110.4230	0.000	1	107.5317	7.413	61	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCC)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|C<2>,1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]C)	105.5130	0.000	1	105.5130	0.000	1	107.5317	7.413	61	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCC)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	107.2100	0.000	1	107.2100	0.000	1	107.5317	7.413	61	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	107.0850	0.000	1	107.0850	0.000	1	107.5317	7.413	61	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCH)(H)	C[6](C[6]C[6,6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]N[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|S<4>}	H(C[6]C[6,6]C[6]C)	115.9490	0.000	1	115.9490	0.000	1	107.5317	7.413	61	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHH)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	90.6781	0.000	1	90.6781	0.000	1	107.5317	7.413	61	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(COO)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	107.7470	0.192	2	107.7470	0.037	2	107.5317	7.413	61	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(COO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	106.9591	0.651	7	106.9591	0.424	7	107.5317	7.413	61	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	106.4480	0.000	1	107.3556	0.318	5	107.5317	7.413	61	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	107.6185	0.462	2	107.3556	0.318	5	107.5317	7.413	61	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]C)	107.6570	0.000	1	107.3556	0.318	5	107.5317	7.413	61	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]C)	107.4360	0.000	1	107.3556	0.318	5	107.5317	7.413	61	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	109.1200	0.000	1	109.7800	0.871	2	107.5317	7.413	61	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	110.4400	0.000	1	109.7800	0.871	2	107.5317	7.413	61	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCO)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	106.0900	0.000	1	106.0900	0.000	1	107.5317	7.413	61	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]O)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	107.2110	0.274	2	107.2110	0.075	2	107.5317	7.413	61	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHO)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	109.6213	0.641	4	109.6213	0.411	4	107.5317	7.413	61	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CNO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HN)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CNO)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HN)(H)2{2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]C)	108.7510	0.000	1	108.7510	0.000	1	107.5317	7.413	61	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6,6]C[6]C)	107.1577	0.178	3	106.9140	0.189	5	107.5317	7.413	61	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	106.1980	0.000	1	106.9140	0.189	5	107.5317	7.413	61	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	106.8990	0.000	1	106.9140	0.189	5	107.5317	7.413	61	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CCO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CCO)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	107.9970	0.000	1	107.9970	0.000	1	107.5317	7.413	61	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CCO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CCO)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]C)	107.4050	0.000	1	107.4050	0.000	1	107.5317	7.413	61	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]C)	106.2575	0.329	2	106.2550	0.054	3	107.5317	7.413	61	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]C)	106.2500	0.000	1	106.2550	0.054	3	107.5317	7.413	61	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<4>,2|C<3>,2|O<2>}	H(C[6]C[6,6]C[6]C)	106.7110	0.000	1	106.7110	0.000	1	107.5317	7.413	61	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(CCO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(CCO)(H){2|C<3>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CC)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]C)	108.6495	0.500	2	108.6495	0.250	2	107.5317	7.413	61	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(CCO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(CCO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]C)	108.2020	0.000	1	108.2020	0.000	1	107.5317	7.413	61	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(CHO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(CHO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.7010	0.000	1	107.7010	0.000	1	107.5317	7.413	61	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(COO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]C)	109.3475	0.405	2	109.3475	0.164	2	107.5317	7.413	61	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCH)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]C)	108.2950	0.000	1	108.2950	0.000	1	107.5317	7.413	61	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCH)(H){1|N<2>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	106.7350	0.000	1	106.7350	0.000	1	107.5317	7.413	61	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(COO)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	105.6810	0.000	1	105.6810	0.000	1	107.5317	7.413	61	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]C)	106.7740	0.000	1	106.7740	0.000	1	107.5317	7.413	61	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]HH)(Br)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(C[6a]C[6a]2)(H){1|N<3>,4|C<3>,8|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]HH)(Br)(H){1|C<4>,1|S<4>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.1410	0.000	2	107.1410	0.000	2	107.1410	0.000	2	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6,6]HH)(NCC)(H)	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]C[6,6]HN)(H)2	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6,6]HH)(NCC)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]C[6,6]HN)(H)2{1|H<1>,1|N<2>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]N)	106.4260	0.000	1	106.4260	0.000	1	106.4260	0.000	1	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(NCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HN)(H)2	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(NCH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HN)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]N)	106.9700	0.000	2	106.9700	0.000	2	106.7917	0.095	3	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(NCH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HN)(H)2	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(NCH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HN)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]N)	106.4350	0.000	1	106.4350	0.000	1	106.7917	0.095	3	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2{2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]N)	108.7970	0.000	1	108.7970	0.000	1	107.5827	1.152	3	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(NC[6a]H)(H)	C[6](C[6]C[6,6]HN)(C[6]C[6]FH)(H)2	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(NC[6a]H)(H){1|F<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HN)(C[6]C[6]FH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]N)	106.7620	0.000	1	106.7620	0.000	1	107.5827	1.152	3	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(NOO)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]N)	107.1890	0.000	1	107.1890	0.000	1	107.5827	1.152	3	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[6](C[6]C[6,6]N[5]H)(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6]C[6]N[5])	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<3>,1|N<3>,3|C<4>,8|H<1>}	C[6](C[6]C[6,6]N[5]H)(C[6]N[6,6]HH)(H)2{1|H<1>,1|N<3>,4|C<4>}	H(C[6]C[6,6]C[6]N[5])	106.4290	0.000	1	106.4290	0.000	1	106.4290	0.000	1	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(CC[6a]FeN)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(CC[6a]FeN)(C[6]C[6]H)(H){1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	112.4495	1.476	2	112.4495	2.178	2	112.4495	2.178	2	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6]C[6a]H)(C[5,6]C[6]O[5]2)(H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6]C[5,6]HH)(C[6,6]C[6]3)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,3|C<3>,3|H<1>,4|O<2>}	C[6](C[6]C[6,6]C[6a]H)(C[5,6]C[6]O[5]2)(H)2{2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.2240	0.165	2	106.2240	0.027	2	106.2240	0.027	2	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:B-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(BCO)(H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2B)	C[6](C[6]C[6]HH)2(BCO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2B)	106.0465	0.032	2	106.0465	0.001	2	106.7892	2.281	48	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:B-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(BC[6]2)(H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2B)	C[6](C[6]C[6]HH)2(BC[6]2)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2B)	108.3230	0.000	1	108.3230	0.000	1	106.7892	2.281	48	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:B-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(BC[6]N)(H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2B)	C[6](C[6]C[6]HH)2(BC[6]N)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2B)	107.3303	1.510	12	107.3303	2.282	12	106.7892	2.281	48	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:B-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(BC[6]O)(H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2B)	C[6](C[6]C[6]HH)2(BC[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2B)	106.8887	0.534	17	106.8887	0.285	17	106.7892	2.281	48	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:B-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(BC[6a]C[6])(H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2B)	C[6](C[6]C[6]HH)2(BC[6a]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2B)	105.9892	1.805	12	105.9892	3.258	12	106.7892	2.281	48	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:B-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(BHN)(H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2B)	C[6](C[6]C[6]HH)2(BHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2B)	109.6800	0.645	2	109.6800	0.416	2	106.7892	2.281	48	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:B-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(BPt2)(H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2B)	C[6](C[6]C[6]HH)2(BPt2)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2B)	104.5830	0.044	2	104.5830	0.002	2	106.7892	2.281	48	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:B[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(B[5]O[5]2)(H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]CC)(H)2	H(C[6]B[5]C[6]2)	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(B[5]O[5]2)(H){2|H<1>,2|O<2>,5|C<4>}	C[6](C[6]B[5]C[6]H)(C[6]C[6]CC)(H)2{1|B<3>,1|C<4>,2|H<1>,3|O<2>}	H(C[6]B[5]C[6]2)	105.8690	0.000	1	105.8690	0.000	1	107.5001	0.759	9	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:B[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(B[5]O[5]2)(H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]B[5]C[6]2)	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(B[5]O[5]2)(H){3|C<4>,3|H<1>,3|O<2>}	C[6](C[6]B[5]C[6]H)(C[6]C[6]HO)(H)2{1|B<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[6]B[5]C[6]2)	106.8240	0.000	1	106.8240	0.000	1	107.5001	0.759	9	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:B[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(B[5]O[5]2)(H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]B[5]C[6]2)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(B[5]O[5]2)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,3|O<2>}	H(C[6]B[5]C[6]2)	106.7000	0.000	1	106.7000	0.000	1	107.5001	0.759	9	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:B[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(B[5]O[5]2)(H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]B[5]C[6]2)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(B[5]O[5]2)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]B[5]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6]B[5]C[6]2)	107.4620	0.000	1	107.4620	0.000	1	107.5001	0.759	9	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:B[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(B[5]O[5]2)(H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]B[5]C[6]2)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(B[5]O[5]2)(H){1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6]B[5]C[6]2)	108.1292	0.290	5	108.1292	0.084	5	107.5001	0.759	9	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CCC)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CCC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2C)	114.0560	0.000	1	109.2800	17.115	3	109.2800	17.115	3	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CCC)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CCC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.8920	0.119	2	109.2800	17.115	3	109.2800	17.115	3	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[3x6]C[4x6]O[6,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[3x6]C[4x6]O[6,6]O)(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.1633	0.512	9	107.1633	0.262	9	107.1633	0.262	9	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]CC)(CCC)(H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[4x6]HH)(C[6]C[6]CC)(CCC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]CH)(H)2{1|H<1>,2|O<1>,6|C<4>}	H(C[6]C[6]2C)	105.8800	0.385	2	105.8800	0.148	2	105.8800	0.148	2	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]2C)	107.1145	0.127	2	107.1145	0.016	2	107.1145	0.016	2	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]CC)(C[6]C[5,6,6]HH)(CC[6]C)(H)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,5,6,6]CC)(C[6]C[5,6,6]HH)(CC[6]C)(H){2|C<4>,3|C<3>}	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,5|C<4>}	H(C[6]C[6]2C)	106.5120	0.000	1	106.5120	0.000	1	108.0829	1.769	9	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[5,6,6]C[5,5]C[6,6]O[5,6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCC)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6,6]C[5,5]C[6,6]O[5,6])(C[6]C[6]CH)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.5380	0.142	4	107.5380	0.020	4	108.0829	1.769	9	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[5,6,6]C[5,6]2O[5,6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCC)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6,6]C[5,6]2O[5,6])(C[6]C[6]CH)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	110.3270	0.000	2	110.3270	0.000	2	108.0829	1.769	9	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2C)	107.7140	0.307	2	107.7140	0.094	2	108.0829	1.769	9	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]C[6a]H)(C[6]C[5,6]HH)(COO)(H)	C[6](C[5,6]C[3,6]C[5]2)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[3,6]C[6a]H)(C[6]C[5,6]HH)(COO)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[5,6]C[3,6]C[5]2)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2C)	109.0570	0.000	1	109.0570	0.000	1	107.5510	1.249	17	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(COO)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.0930	0.000	1	106.0930	0.000	1	107.5510	1.249	17	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.4590	0.025	2	107.4590	0.001	2	107.5510	1.249	17	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|S<2>,3|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.4520	0.000	1	106.5403	0.033	3	107.5510	1.249	17	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|S<2>,3|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]CH)(H)2{1|O<2>,1|P<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.5845	0.233	2	106.5403	0.033	3	107.5510	1.249	17	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.4140	0.000	1	107.4140	0.000	1	107.5510	1.249	17	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CNO)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CNO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.8965	0.250	2	108.8965	0.062	2	107.5510	1.249	17	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(CCH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)2(CCH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2{1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[6]C[6]2C)	108.0730	0.000	1	108.0730	0.000	1	107.5510	1.249	17	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(CCH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)2(CCH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.0230	0.000	1	108.0230	0.000	1	107.5510	1.249	17	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(CC[6a]O)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)2(CC[6a]O)(H){1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.1380	0.000	1	106.1380	0.000	1	107.5510	1.249	17	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(CC[6a]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)2(CC[6a]O)(H){1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.1520	0.000	1	106.1520	0.000	1	107.5510	1.249	17	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CHO)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CHO)(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2C)	108.5005	1.483	2	108.5005	2.199	2	107.5510	1.249	17	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[5,6]HH)(CC[6a]O)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]O)(C[6]C[5,6]HH)(CC[6a]O)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.0840	0.000	1	108.0840	0.000	1	107.5510	1.249	17	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CC[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CC[6]C)(H){1|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,4|C<4>}	H(C[6]C[6]2C)	106.8215	1.455	2	106.8215	2.116	2	107.2478	1.625	84	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(COO)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(COO)(H){2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	104.5110	0.000	1	104.5110	0.000	1	107.2478	1.625	84	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCC)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCC)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2C)	105.9380	0.000	1	105.9380	0.000	1	107.2478	1.625	84	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]2C)	107.9530	0.000	1	107.9530	0.000	1	107.2478	1.625	84	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCO)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2C)	109.2280	0.000	1	109.2280	0.000	1	107.2478	1.625	84	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCO)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.9698	0.533	5	107.9698	0.284	5	107.2478	1.625	84	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(COO)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(COO)(H){1|C<3>,1|N<4>,3|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.4330	0.436	2	106.4330	0.190	2	107.2478	1.625	84	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.2400	0.313	2	107.1010	0.107	3	107.2478	1.625	84	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2C)	106.8230	0.000	1	107.1010	0.107	3	107.2478	1.625	84	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.4820	0.000	1	107.4820	0.000	1	107.2478	1.625	84	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2C)	107.1410	0.072	2	107.4863	1.065	6	107.2478	1.625	84	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2C)	109.5350	0.000	1	107.4863	1.065	6	107.2478	1.625	84	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.1910	0.000	1	107.4863	1.065	6	107.2478	1.625	84	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6]2C)	106.9550	0.482	2	107.4863	1.065	6	107.2478	1.625	84	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2C)	107.7150	0.319	3	107.6094	0.078	5	107.2478	1.625	84	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2C)	107.5640	0.000	1	107.6094	0.078	5	107.2478	1.625	84	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2C)	107.3380	0.000	1	107.6094	0.078	5	107.2478	1.625	84	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6]2C)	106.1170	0.000	1	106.1170	0.000	1	107.2478	1.625	84	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.9410	0.000	1	106.0655	7.035	2	107.2478	1.625	84	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	104.1900	0.000	1	106.0655	7.035	2	107.2478	1.625	84	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.6020	0.000	1	108.6020	0.000	1	107.2478	1.625	84	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2C)	107.7665	0.669	4	107.8372	0.361	5	107.2478	1.625	84	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCO)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6]2C)	108.1200	0.000	1	107.8372	0.361	5	107.2478	1.625	84	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.5890	0.000	1	108.5890	0.000	1	107.2478	1.625	84	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	111.4890	0.000	1	111.4890	0.000	1	107.2478	1.625	84	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	109.4120	0.000	1	108.3585	0.963	4	107.2478	1.625	84	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2C)	108.0073	0.840	3	108.3585	0.963	4	107.2478	1.625	84	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(CCH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.3680	0.000	1	106.3680	0.000	1	107.2478	1.625	84	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(CCN)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)2(CCN)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{2|C<4>,6|H<1>}	H(C[6]C[6]2C)	106.2954	0.184	7	106.2954	0.034	7	107.2478	1.625	84	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(CC[6a]O)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)2(CC[6a]O)(H){2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,6|H<1>}	H(C[6]C[6]2C)	108.6080	0.074	2	108.6080	0.005	2	107.2478	1.625	84	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)2(CHH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[6]2C)	107.9210	0.047	2	107.9210	0.002	2	107.2478	1.625	84	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(COO)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)2(COO)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[6]2C)	105.3527	0.871	3	105.8042	1.271	6	107.2478	1.625	84	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(COO)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)2(COO)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.7940	0.000	1	105.8042	1.271	6	107.2478	1.625	84	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(COO)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)2(COO)(H){2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[6]C[6]2C)	105.3090	0.000	1	105.8042	1.271	6	107.2478	1.625	84	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(COO)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)2(COO)(H){2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[6]2C)	105.6640	0.000	1	105.8042	1.271	6	107.2478	1.625	84	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(COO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)2(COO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.9190	0.024	2	107.1247	1.784	10	107.2478	1.625	84	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(COO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)2(COO)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]2C)	105.4010	0.173	3	107.1247	1.784	10	107.2478	1.625	84	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(COO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)2(COO)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.7450	0.000	1	107.1247	1.784	10	107.2478	1.625	84	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(COO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)2(COO)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{2|C<4>,6|H<1>}	H(C[6]C[6]2C)	108.3653	0.389	4	107.1247	1.784	10	107.2478	1.625	84	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(COO)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)2(COO)(H){1|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.0067	1.014	11	107.0067	1.028	11	107.2478	1.625	84	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(CHO)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(CHO)(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2C)	109.4420	0.000	1	109.4420	0.000	1	107.2478	1.625	84	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(COO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(COO)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2C)	107.4480	0.000	1	107.4480	0.000	1	107.2478	1.625	84	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]CO)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]ClH)(C[6]C[6]CO)(CCO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(Cl)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.2855	0.310	2	107.2855	0.096	2	107.2855	0.096	2	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HO)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[3,6,6]HO)(C[6]C[6]HH)(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2C)	106.9640	0.000	1	106.9640	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[4x6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[4x6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.2114	0.469	9	107.2114	0.220	9	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HO)(C[6]C[6]HH)(CCO)(H)	C[6](C[6]C[3x6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,3x6]HO)(C[6]C[6]HH)(CCO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.3980	1.741	2	106.3980	3.031	2	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HO)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[3x6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,3x6]HO)(C[6]C[6]HH)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	105.3340	0.486	2	105.3340	0.237	2	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(CCC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|N<3>}	H(C[6]C[6]2C)	108.3210	0.000	1	108.3210	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.2035	0.144	2	107.2035	0.021	2	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.7675	0.401	2	107.7675	0.161	2	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.1450	0.000	1	106.1450	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CHO)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2C)	106.9200	0.000	1	106.9200	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2C)	107.3830	0.000	1	108.3410	1.836	2	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	109.2990	0.000	1	108.3410	1.836	2	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(CC[5,6]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(CC[5,6]O)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2C)	108.0840	0.000	1	108.0840	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(CC[6a]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(CC[6a]O)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2C)	111.6960	0.000	1	111.6960	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.4245	0.019	2	107.4245	0.000	2	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.5167	0.202	3	106.5167	0.041	3	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.4200	0.000	1	108.1373	0.067	3	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.9960	0.122	2	108.1373	0.067	3	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CNO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CNO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.9100	0.198	2	108.9100	0.039	2	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2C)	107.3410	0.000	1	107.3410	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.1450	0.000	1	107.1450	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CCC)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2C)	107.4480	0.000	1	107.4480	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(COO)(H){1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	111.0115	0.252	2	111.0115	0.064	2	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2C)	105.8630	0.000	1	105.8630	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	H(C[6]C[6]2C)	105.8860	0.174	2	105.8860	0.030	2	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2C)	106.2440	0.123	2	106.2440	0.015	2	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	H(C[6]C[6]2C)	106.9940	0.000	1	106.9940	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]O)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]O)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2C)	107.1510	0.000	1	107.1510	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	H(C[6]C[6]2C)	106.1910	0.000	1	106.1910	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2C)	108.5155	0.414	2	108.5155	0.171	2	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(CHO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(CHO)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.4120	0.000	1	108.4120	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.5240	0.000	1	107.4287	1.453	13	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.1910	0.000	1	107.4287	1.453	13	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.1175	0.029	2	107.4287	1.453	13	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.9430	0.000	1	107.4287	1.453	13	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.4260	0.000	1	107.4287	1.453	13	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.0260	0.000	1	107.4287	1.453	13	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	111.1270	0.000	1	107.4287	1.453	13	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.2910	0.000	1	107.4287	1.453	13	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.1920	0.000	1	107.4287	1.453	13	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.9295	0.500	2	107.4287	1.453	13	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.7590	0.000	1	107.4287	1.453	13	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.5987	0.308	4	107.6439	0.083	7	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.7040	0.314	3	107.6439	0.083	7	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.0270	1.534	2	107.5687	2.057	3	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	108.6520	0.000	1	107.5687	2.057	3	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.7880	0.706	4	107.8554	0.397	5	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	108.1250	0.000	1	107.8554	0.397	5	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.5800	0.000	1	108.5800	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.5020	1.281	2	108.1998	0.823	5	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.9983	0.820	3	108.1998	0.823	5	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2C)	106.1030	0.000	1	106.4887	0.246	3	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2C)	106.6815	0.518	2	106.4887	0.246	3	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2C)	110.0680	0.000	1	110.0680	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCC)(H){1|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	108.6660	0.000	1	108.6660	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6]2C)	105.9500	0.000	1	105.9500	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<4>,2|C<2>,4|C<3>}	H(C[6]C[6]2C)	107.9020	0.000	1	107.9020	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2C)	107.1820	0.000	1	107.1820	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2C)	108.0385	0.238	2	107.4438	0.170	9	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.3730	0.000	1	107.4438	0.170	9	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	106.8290	0.000	1	107.4438	0.170	9	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){2|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	107.3430	0.201	5	107.4438	0.170	9	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.4970	0.000	1	106.4970	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2C)	108.8380	0.000	1	108.8380	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.2590	0.000	1	108.4825	0.100	2	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.7060	0.000	1	108.4825	0.100	2	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.5270	0.000	1	106.6847	0.983	3	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.2635	0.950	2	106.6847	0.983	3	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.0570	0.000	1	108.0570	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	105.9830	0.000	1	105.9830	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHO)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	106.4120	0.000	1	107.4150	2.012	2	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHO)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.4180	0.000	1	107.4150	2.012	2	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.3435	1.333	33	108.2828	1.645	37	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.7825	0.638	4	108.2828	1.645	37	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.6168	0.296	6	108.6168	0.088	6	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.8610	0.000	1	107.8610	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2C)	108.7120	0.000	1	108.7120	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2C)	107.1410	0.085	2	107.3762	1.176	32	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2C)	107.5340	0.000	1	107.3762	1.176	32	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.3751	1.204	24	107.3762	1.176	32	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.8910	0.855	3	107.3762	1.176	32	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.7730	0.140	2	107.3762	1.176	32	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	108.2310	0.167	4	108.2310	0.028	4	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|N<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	108.5290	0.000	1	108.5290	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	106.9032	0.997	12	107.1840	1.153	15	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	108.8070	0.000	1	107.1840	1.153	15	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.0575	0.301	2	107.1840	1.153	15	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CSiC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CSiC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.1330	0.000	1	107.1330	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]CN)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCO)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]CN)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.7030	0.000	1	107.7030	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]CN)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CHO)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]CN)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.0370	0.000	1	108.0370	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(COO)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)2(H)2{1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2C)	107.9830	0.000	1	107.9830	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[4]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[4]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	108.6920	0.000	1	108.6920	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[5a]O)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[5a]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2C)	107.8220	0.000	1	107.8220	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CNO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CNO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	107.9568	0.657	22	107.8890	0.347	29	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CNO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CNO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.6759	0.191	7	107.8890	0.347	29	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(COO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	108.2910	0.595	3	107.9890	0.389	5	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(COO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2C)	107.5360	0.403	2	107.9890	0.389	5	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(COO)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2C)	109.2950	0.000	1	109.2950	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2C)	107.4170	0.225	2	107.5165	0.037	4	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.6160	0.148	2	107.5165	0.037	4	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	108.5870	0.000	1	108.5870	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	106.8430	0.000	1	106.8430	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	107.6350	0.000	1	107.6350	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CNO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CNO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	108.2120	0.133	2	108.2120	0.018	2	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	108.3450	0.561	2	108.3604	0.291	5	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	108.3605	0.921	2	108.3604	0.291	5	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	108.3910	0.000	1	108.3604	0.291	5	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2C)	109.3528	1.558	4	109.1370	2.054	5	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|O<2>}	H(C[6]C[6]2C)	108.2740	0.000	1	109.1370	2.054	5	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CN[5]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CN[5]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2C)	109.8010	0.000	1	109.8010	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(COO)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>}	H(C[6]C[6]2C)	107.2730	0.000	1	107.2730	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]OO)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(CCO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2C)	107.6220	0.000	1	107.6220	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(CNO)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(CNO)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6]2C)	108.6210	0.000	1	108.6210	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCC)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2C)	106.0150	0.000	1	106.7310	0.510	3	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCC)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.4430	0.000	1	106.7310	0.510	3	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCC)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)2(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	106.7350	0.000	1	106.7310	0.510	3	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCO)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2C)	107.2665	0.412	2	107.2665	0.170	2	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCH)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2C)	108.7490	0.000	1	108.7490	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(COO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2C)	107.7972	0.738	6	107.7972	0.545	6	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(COO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[6]2C)	109.2260	0.000	1	109.2260	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HP)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HP)(COO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2C)	107.2340	0.000	1	107.2340	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(COO)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(COO)(H){1|Br<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2C)	108.2120	0.000	1	107.9280	0.161	2	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(COO)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(COO)(H){1|Br<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2C)	107.6440	0.000	1	107.9280	0.161	2	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(COO)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2C)	107.6955	0.788	2	107.6955	0.622	2	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCO)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	108.1670	0.000	1	108.1670	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(COO)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(COO)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	107.1850	0.000	1	107.1850	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CO)(CCO)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]CO)(CCO)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2C)	107.0640	0.000	1	107.0640	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CO)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HI)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]CO)(COO)(H){1|C<4>,1|H<1>,1|I<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HI)(H)2{2|O<2>,3|C<4>}	H(C[6]C[6]2C)	107.8070	0.000	1	107.8070	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCC)(H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCC)(H){1|B<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]B[5]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2C)	106.8890	0.000	1	106.8890	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCC)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCC)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.2797	0.505	6	107.2797	0.255	6	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCC)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.2640	0.000	1	107.2640	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCC)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCC)(H){1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2{1|Cl<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.4500	0.115	2	107.4020	0.126	4	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCC)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCC)(H){1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.3540	0.597	2	107.4020	0.126	4	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.9320	0.000	1	106.9320	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCC)(H){1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Cl<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.3805	0.062	2	107.1497	0.192	37	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCC)(H){1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.3495	0.620	2	107.1497	0.192	37	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.2710	0.000	1	107.1497	0.192	37	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2C)	106.9510	0.342	2	107.1497	0.192	37	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	107.4740	0.000	1	107.1497	0.192	37	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.4417	0.238	3	107.1497	0.192	37	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.4910	0.000	1	107.1497	0.192	37	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.9207	0.679	6	107.1497	0.192	37	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.1101	0.400	19	107.1497	0.192	37	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.7630	0.000	1	107.5358	0.045	5	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.4650	0.240	3	107.5358	0.045	5	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.5210	0.000	1	107.5358	0.045	5	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.9330	0.671	6	106.9330	0.450	6	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCC)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCC)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2C)	106.9915	0.040	2	106.9915	0.002	2	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCC)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<2>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.5150	0.000	1	107.5760	0.007	2	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCC)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCC)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.6370	0.000	1	107.5760	0.007	2	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCF)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCF)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2C)	108.1585	0.237	4	108.1585	0.056	4	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.8668	0.564	34	107.8739	0.309	36	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.9935	0.524	2	107.8739	0.309	36	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2C)	108.5315	0.022	2	108.5315	0.000	2	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCN)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.6050	0.000	1	107.1132	2.137	9	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.0517	1.550	8	107.1132	2.137	9	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.8795	0.306	2	107.5819	0.782	10	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.7485	0.009	2	107.5819	0.782	10	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.7605	1.068	6	107.5819	0.782	10	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCO)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCO)(H){1|O<2>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.2600	0.000	1	108.2600	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCO)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.8760	0.314	2	106.8760	0.099	2	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[3]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[3]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	90.5885	0.078	2	90.5885	0.006	2	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[5]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[5]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.3900	0.044	2	108.3900	0.002	2	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[5]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[5]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.9770	0.013	2	107.9770	0.000	2	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[5a]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[5a]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.2020	0.587	13	108.2020	0.345	13	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6,6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[6,6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.1625	0.037	2	108.1625	0.001	2	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.2590	0.023	4	108.2590	0.001	4	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6a]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[6a]C)(H){1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2C)	107.0425	0.530	2	107.0425	0.281	2	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6a]N)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[6a]N)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.1820	0.017	2	107.1820	0.000	2	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6a]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[6a]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.3939	0.347	8	108.6382	0.121	18	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6a]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[6a]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.8337	0.200	10	108.6382	0.121	18	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CClC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CClC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.1385	0.042	2	107.1385	0.002	2	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	111.3660	0.000	1	111.3660	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHH)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CHH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.9660	0.935	4	108.9660	0.874	4	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CNO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CNO)(H){1|C<2>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.6650	0.000	1	108.2901	1.204	37	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CNO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CNO)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.0990	0.000	1	108.2901	1.204	37	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CNO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CNO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	109.5385	2.959	2	108.2901	1.204	37	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CNO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CNO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.5324	0.921	25	108.2901	1.204	37	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CNO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CNO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.1724	0.278	7	108.2901	1.204	37	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CNO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CNO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.3750	0.000	1	108.2901	1.204	37	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CNO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CNO)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.3293	0.802	4	108.5722	0.190	50	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CNO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CNO)(H){1|N<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.5593	0.371	44	108.5722	0.190	50	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CNO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CNO)(H){1|N<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	109.3430	0.058	2	108.5722	0.190	50	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CNO)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CNO)(H){1|O<2>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.6947	0.242	4	107.6947	0.058	4	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CNO)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CNO)(H){1|C<2>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.6740	0.000	1	108.3815	2.121	4	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CNO)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CNO)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.6580	2.384	2	108.3815	2.121	4	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CNO)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CNO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.5360	0.000	1	108.3815	2.121	4	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CNO)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CNO)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2C)	107.9520	0.000	1	107.9520	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CNS)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CNS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.7710	0.121	3	107.7710	0.015	3	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CN[5a]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CN[5a]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	109.2675	1.394	2	109.2675	1.942	2	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CN[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CN[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.2170	0.021	2	108.2170	0.000	2	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CN[6]S)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CN[6]S)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.4825	0.018	2	107.4825	0.000	2	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(COO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(COO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2C)	108.8590	0.892	2	108.8590	0.796	2	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(COO)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	107.7980	0.033	2	107.6898	0.687	129	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(COO)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.4305	0.405	2	107.6898	0.687	129	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(COO)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.1060	0.000	1	107.6898	0.687	129	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(COO)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2C)	108.3960	0.000	1	107.6898	0.687	129	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(COO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.4766	0.747	52	107.6898	0.687	129	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(COO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2C)	107.4425	0.947	13	107.6898	0.687	129	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(COO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.9008	0.307	12	107.6898	0.687	129	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(COO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.9731	0.963	43	107.6898	0.687	129	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(COO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.6130	0.463	3	107.6898	0.687	129	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(COO)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.4245	0.408	2	107.2930	0.135	3	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(COO)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.0300	0.000	1	107.2930	0.135	3	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(COO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(COO)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]CH)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	107.3213	1.760	6	107.3213	3.096	6	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(COO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(COO)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.8095	1.032	10	107.8777	0.633	34	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(COO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(COO)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2C)	108.3520	0.013	2	107.8777	0.633	34	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(COO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(COO)(H){1|N<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.8835	0.011	2	107.8777	0.633	34	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(COO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(COO)(H){1|N<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.7859	0.560	17	107.8777	0.633	34	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(COO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(COO)(H){1|N<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.9717	0.198	3	107.8777	0.633	34	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(COO)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(COO)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.1171	1.140	153	108.1076	1.282	156	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(COO)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(COO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.6200	0.477	3	108.1076	1.282	156	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(COO)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(COO)(H){1|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(H)2{3|C<3>,4|H<1>}	H(C[6]C[6]2C)	107.8750	0.000	1	107.8750	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CSiC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CSiC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	105.5643	0.106	3	105.5643	0.011	3	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]NiH)(C[6]C[6]HH)(CC[6a]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]NiH)(C[6]C[6]HH)(CC[6a]C)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Ni<5>,1|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.9320	0.000	1	108.9320	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCC)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	106.9035	0.713	2	106.9035	0.509	2	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCO)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCO)(H){1|C<4>,2|C<2>,4|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	109.2740	0.000	1	109.2740	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[5a]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[5a]O)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.3185	0.257	2	108.3185	0.066	2	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHO)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	106.7650	0.000	1	106.7650	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CNO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CNO)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	104.9900	0.000	1	104.9900	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CN[6]O)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CN[6]O)(H){1|N<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	110.1750	0.000	1	110.1750	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2C)	108.8890	0.000	1	108.8890	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(CC[6a]O)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(CC[6a]O)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2C)	108.7130	0.000	1	108.7130	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(COO)(H){3|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	107.9670	0.000	1	107.9670	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCH)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]CH)2(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.0750	0.000	1	107.0397	0.004	3	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCH)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2C)	107.0780	0.000	1	107.0397	0.004	3	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCH)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)2(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	106.9660	0.000	1	107.0397	0.004	3	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(COO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2C)	107.9030	0.481	4	108.0840	0.288	7	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(COO)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2C)	108.3253	0.605	3	108.0840	0.288	7	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	108.0210	0.000	1	108.1145	0.017	2	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]CH)2(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.2080	0.000	1	108.1145	0.017	2	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CNO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CNO)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	109.0540	0.000	1	109.0540	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(COO)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]CH)2(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	109.3060	0.000	1	109.3060	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]S[6]H)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]S[6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]2C)	107.7600	0.000	1	107.7600	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]Si[6]CH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]Si[6]CH)(C[6]C[6]HH)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.1450	0.000	1	107.1450	0.000	1	107.8300	1.664	946	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(COO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(COO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.8953	0.670	6	107.8953	0.448	6	107.8953	0.448	6	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[5]-3:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[6]HH)(C[6]C[6]HH)(C[5]C[5]2)(H)	C[6](B[6]C[6a]2O[6])(C[6]C[5]C[6]H)(H)2	H(C[6]C[5]C[6]2)	C[6](C[6]B[6]HH)(C[6]C[6]HH)(C[5]C[5]2)(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](B[6]C[6a]2O[6])(C[6]C[5]C[6]H)(H)2{2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[5]C[6]2)	108.1830	0.000	1	108.1830	0.000	1	108.1830	0.000	1	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	H(C[6]C[5]C[6]2)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){1|C<3>,2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[5]C[6]2)	107.2412	0.308	13	107.4449	0.098	30	107.4449	0.098	30	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	H(C[6]C[5]C[6]2)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){1|Cl<1>,2|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[5]C[6]2)	107.6125	0.040	2	107.4449	0.098	30	107.4449	0.098	30	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	H(C[6]C[5]C[6]2)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[5]C[6]2)	107.5530	0.010	2	107.4449	0.098	30	107.4449	0.098	30	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	H(C[6]C[5]C[6]2)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){2|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[5]C[6]2)	107.3910	0.042	7	107.4449	0.098	30	107.4449	0.098	30	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	H(C[6]C[5]C[6]2)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){2|C<3>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[5]C[6]2)	107.8573	0.090	6	107.4449	0.098	30	107.4449	0.098	30	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[6]HH)(C[6]C[6]HH)(C[5]C[5]2)(H)	C[6](C[6]C[5]C[6]H)(C[6]O[6]CC)(H)2	H(C[6]C[5]C[6]2)	C[6](C[6]B[6]HH)(C[6]C[6]HH)(C[5]C[5]2)(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]O[6]CC)(H)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5]C[6]2)	108.1960	0.000	1	108.1960	0.000	1	108.0090	0.679	6	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(C[5]C[5]2)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]BrH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[6]C[6]HH)2(C[5]C[5]2)(H){1|Br<1>,1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]BrH)(H)2{1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5]C[6]2)	107.9820	0.000	1	107.9820	0.000	1	108.0090	0.679	6	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(C[5]N[5]2)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[6]C[6]HH)2(C[5]N[5]2)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[5]C[6]2)	108.4845	1.405	2	108.4845	1.974	2	108.0090	0.679	6	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(C[5]N[5]2)(H)	C[6](C[6]C[5]C[6]H)2(H)2	H(C[6]C[5]C[6]2)	C[6](C[6]C[6]HH)2(C[5]N[5]2)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5]C[6]H)2(H)2{1|C<4>,4|H<1>,4|N<3>}	H(C[6]C[5]C[6]2)	107.4535	0.564	2	107.4535	0.318	2	108.0090	0.679	6	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(C[6]C[6]2)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6,6]HH)2(C[6]C[6]2)(H){2|H<1>,3|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2{2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]3)	106.7540	0.006	2	106.7540	0.000	2	106.9832	0.070	4	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(C[6]C[6]O[6])(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6,6]HH)2(C[6]C[6]O[6])(H){1|B<4>,1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6]3)	107.2125	0.025	2	107.2125	0.001	2	106.9832	0.070	4	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]2C)(C[6]C[6]BrH)(C[6]C[6]H)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]2H)(Br)(H)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]2C)(C[6]C[6]BrH)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]BrH)(C[6]C[6]2H)(Br)(H){1|Br<1>,1|C<2>,2|H<1>,3|C<3>}	H(C[6]C[6]3)	107.9940	0.000	1	107.9940	0.000	1	107.9940	0.000	1	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]2H)(C[6]O[6]HO)(H)2	H(C[6]C[6]3)	C[6](C[6]C[5,6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6](C[6]C[6]2H)(C[6]O[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]3)	108.5815	2.686	2	108.5815	7.216	2	106.6787	2.168	59	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6,6a]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(H)2{1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[6]C[6]3)	107.7790	0.000	1	107.7790	0.000	1	106.6787	2.168	59	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(H)2{2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]3)	106.4010	0.000	1	106.4010	0.000	1	106.6787	2.168	59	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<2>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]3)	106.6390	0.000	1	106.6390	0.000	1	106.6787	2.168	59	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CC)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]CC)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]3)	106.8040	0.000	1	106.4978	0.036	5	106.6787	2.168	59	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CC)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CC)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]3)	106.4213	0.095	4	106.4978	0.036	5	106.6787	2.168	59	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]3)	105.9404	0.137	5	106.3287	0.503	9	106.6787	2.168	59	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6]3)	106.4580	0.000	1	106.3287	0.503	9	106.6787	2.168	59	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]3)	105.7550	0.000	1	106.3287	0.503	9	106.6787	2.168	59	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,3|C<4>,6|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	H(C[6]C[6]3)	107.5215	0.077	2	106.3287	0.503	9	106.6787	2.168	59	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(H){4|C<4>,7|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]3)	106.8260	0.102	2	106.8260	0.010	2	106.6787	2.168	59	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(H){4|C<4>,7|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]3)	107.1490	0.000	1	107.1490	0.000	1	106.6787	2.168	59	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2S)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]2S)(C[6]C[6]HH)(C[6]C[6]O)(H){3|C<4>,8|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|O<1>,1|S<2>,2|H<1>,3|C<4>}	H(C[6]C[6]3)	106.3365	0.037	2	106.3365	0.001	2	106.6787	2.168	59	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(C[6]C[6]2)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(C[6]C[6]2)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]3)	105.4670	0.000	1	105.4670	0.000	1	106.6787	2.168	59	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]3)	106.4800	0.114	4	106.4715	3.140	27	106.6787	2.168	59	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]3)	105.9513	1.715	4	106.4715	3.140	27	106.6787	2.168	59	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]3)	106.3755	0.169	2	106.4715	3.140	27	106.6787	2.168	59	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]3)	107.2067	3.348	4	106.4715	3.140	27	106.6787	2.168	59	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]3)	104.5877	2.334	4	106.4715	3.140	27	106.6787	2.168	59	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]3)	107.3830	0.021	2	106.4715	3.140	27	106.6787	2.168	59	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H){4|C<4>,6|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]3)	107.1871	0.114	7	106.4715	3.140	27	106.6787	2.168	59	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(C[6]N[6]2)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]HH)2(C[6]N[6]2)(H){1|B<4>,1|C<3>,1|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[6]3)	107.1090	0.440	4	107.1090	0.194	4	106.6787	2.168	59	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]3)	110.9620	0.000	1	110.9620	0.000	1	106.6787	2.168	59	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){3|C<4>,7|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]3)	106.9990	0.000	1	106.9990	0.000	1	106.6787	2.168	59	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]O)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]3)	106.5490	0.000	1	106.5490	0.000	1	106.6787	2.168	59	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6](C[5,6]C[3,5,6]N[5]O)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[3,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[3,5,6]N[5]O)(C[6]C[6a]C[6]H)(H)2{1|H<1>,1|O<2>,3|C<3>,4|C<4>}	H(C[6]C[6a]C[6]2)	109.0620	0.000	1	109.0620	0.000	1	106.9034	1.078	12	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]C[6]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.5480	0.000	1	106.5480	0.000	1	106.9034	1.078	12	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(H)2{3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	105.8050	0.000	1	105.8050	0.000	1	106.9034	1.078	12	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6](C[5,6]O[5,6]N[5]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|N<3>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]N[5]H)(C[6]C[6a]C[6]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.9380	0.255	2	106.9380	0.065	2	106.9034	1.078	12	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(C[6a]C[6a]2)(H)	C[6](C[5,6]O[5,6]C[6a]C[5])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HH)2(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[5,6]O[5,6]C[6a]C[5])(C[6]C[6a]C[6]H)(H)2{1|N<3>,2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.8865	0.326	2	106.8865	0.106	2	106.9034	1.078	12	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(C[6a]C[6a]2)(H)	C[6](C[5,6]O[5,6]C[6a]N[5])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HH)2(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[5,6]O[5,6]C[6a]N[5])(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.8665	0.438	2	106.8665	0.192	2	106.9034	1.078	12	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(C[6a]C[6a]2)(H)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HH)2(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,3|H<1>,3|O<2>}	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	107.6180	0.000	1	107.6180	0.000	1	106.9034	1.078	12	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(C[6a]C[6a]2)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HH)2(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,3|H<1>,3|O<2>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	107.6330	0.000	1	107.6330	0.000	1	106.9034	1.078	12	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	104.7930	0.000	1	104.7930	0.000	1	106.9034	1.078	12	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(C[6a]C[6a]2)(H)	C[6](C[5,6]N[5,5,6]C[5,5]H)(C[6]C[6a]C[6]H)(H)(I)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,5,6]C[5,5]H)(C[6]C[6a]C[6]H)(H)(I){2|H<1>,3|C<3>,4|C<4>}	H(C[6]C[6a]C[6]2)	106.1930	0.000	1	106.1930	0.000	1	106.1930	0.000	1	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)2(C[6a]C[6a]2)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.8190	0.000	1	107.2660	0.393	4	107.2227	0.225	10	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)2(C[6a]C[6a]2)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.7600	0.000	1	107.2660	0.393	4	107.2227	0.225	10	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)2(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6a]C[6]2)	106.7425	0.284	2	107.2660	0.393	4	107.2227	0.225	10	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)2(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.7525	0.309	2	106.7525	0.095	2	107.2227	0.225	10	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(C[6a]C[6a]2)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)2(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.5330	0.000	1	107.4145	0.050	4	107.2227	0.225	10	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(C[6a]C[6a]2)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)2(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.5350	0.000	1	107.4145	0.050	4	107.2227	0.225	10	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(C[6a]C[6a]2)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.2950	0.305	2	107.4145	0.050	4	107.2227	0.225	10	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(NCC)(H)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(NCC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HN)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2N)	105.9010	0.000	1	105.9010	0.000	1	105.9010	0.000	1	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]HH)(NCH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HN)(Br)(H)	H(C[6]C[6]2N)	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]HH)(NCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HN)(Br)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.7940	0.000	1	106.7940	0.000	1	106.7940	0.000	1	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]HH)(NCH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]HH)(NCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HN)(H)2{1|Br<1>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	109.7950	0.000	1	109.7950	0.000	1	109.0667	0.481	6	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCH)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[6]C[6]2N)	108.2760	0.000	1	108.2760	0.000	1	109.0667	0.481	6	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.3970	0.000	1	108.3970	0.000	1	109.0667	0.481	6	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NC[6a]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NC[6a]C)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HN)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2N)	109.8210	0.000	1	109.8210	0.000	1	109.0667	0.481	6	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NHS)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NHS)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[6]C[6]2N)	108.7170	0.000	1	108.7170	0.000	1	109.0667	0.481	6	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(NOO)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(NOO)(H){1|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HN)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	H(C[6]C[6]2N)	109.3940	0.000	1	109.3940	0.000	1	109.0667	0.481	6	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(NCO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(NCO)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2N)	107.5715	0.159	2	107.5715	0.025	2	108.0401	2.088	38	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(NCH)(H)	C[6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(NCH)(H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>}	C[6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>,3|O<2>}	H(C[6]C[6]2N)	107.4390	0.000	1	107.4390	0.000	1	108.0401	2.088	38	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.9490	0.059	2	108.7370	0.137	3	108.0401	2.088	38	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.3130	0.000	1	108.7370	0.137	3	108.0401	2.088	38	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCS)(H)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCS)(H){1|N<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HN)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.7870	0.000	1	107.3520	0.378	2	108.0401	2.088	38	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCS)(H)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCS)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HN)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.9170	0.000	1	107.3520	0.378	2	108.0401	2.088	38	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC[6a]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC[6a]H)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.0850	0.000	1	108.0850	0.000	1	108.0401	2.088	38	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]OO)(NCC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HH)(C[6]C[6]OO)(NCC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6]2N)	106.5370	0.000	1	106.5370	0.000	1	108.0401	2.088	38	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(NCC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HH)2(NCC)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{2|C<4>,6|H<1>}	H(C[6]C[6]2N)	106.7190	0.226	4	106.7190	0.051	4	108.0401	2.088	38	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(NCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HH)2(NCH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{2|C<4>,6|H<1>}	H(C[6]C[6]2N)	106.7477	0.081	3	106.7477	0.007	3	108.0401	2.088	38	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(NCH)(H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HH)2(NCH)(H){1|N<3>,4|C<4>}	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HN)(H)2{1|O<1>,3|C<4>,6|H<1>}	H(C[6]C[6]2N)	109.1760	0.000	1	109.1760	0.000	1	108.0401	2.088	38	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(NCH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HH)2(NCH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HN)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.1216	0.218	13	108.1619	0.052	15	108.0401	2.088	38	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(NCH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HH)2(NCH)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HN)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2N)	108.4235	0.053	2	108.1619	0.052	15	108.0401	2.088	38	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(NC[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HH)2(NC[6]C)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{2|C<4>,6|H<1>}	H(C[6]C[6]2N)	107.0220	0.382	2	107.0220	0.146	2	108.0401	2.088	38	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(NOO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(NOO)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2N)	111.2935	4.153	2	111.5457	8.814	3	108.0401	2.088	38	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(NOO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(NOO)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2N)	112.0500	0.000	1	111.5457	8.814	3	108.0401	2.088	38	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(Br)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(Br)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.6920	0.000	1	108.6920	0.000	1	108.9740	0.159	2	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(Br)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(Br)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	109.2560	0.000	1	109.2560	0.000	1	108.9740	0.159	2	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(Cl)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(Cl)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.1450	0.000	1	107.1450	0.000	1	107.1450	0.000	1	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(F)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(F)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	108.2325	0.289	2	108.2325	0.084	2	108.2325	0.084	2	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2N)	109.3240	0.465	2	109.2967	0.110	3	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2N)	109.2420	0.000	1	109.2967	0.110	3	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.2780	0.000	1	108.2780	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]N[5,6]CH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2N)	108.3460	0.000	1	108.3460	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NC[6a]C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NC[6a]C)(H){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	108.8460	0.000	1	108.8460	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NHS)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.7030	0.000	1	108.7030	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2N)	107.8470	0.000	1	107.8470	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(NCS)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(NCS)(H){2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2N)	107.1170	0.000	1	107.1170	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCC)(H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HN)(H)2{5|C<4>}	H(C[6]C[6]2N)	104.8090	0.000	1	104.8090	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HN)(H)2{5|C<4>}	H(C[6]C[6]2N)	106.9077	0.791	3	106.9077	0.625	3	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2N)	106.6940	0.000	1	106.6940	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NHS)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2N)	107.1980	0.000	1	107.1980	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(NOO)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	108.7218	0.399	4	108.7218	0.159	4	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	107.2357	0.899	3	107.2357	0.808	3	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	108.9555	0.012	2	108.7163	0.172	3	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2N)	108.2380	0.000	1	108.7163	0.172	3	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCS)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCS)(H){1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2N)	107.7730	0.000	1	107.3595	0.342	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCS)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCS)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2N)	106.9460	0.000	1	107.3595	0.342	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC[6a]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC[6a]H)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2N)	108.0580	0.000	1	108.0580	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(NOO)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2N)	107.5960	0.000	1	107.6885	0.017	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(NOO)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2N)	107.7810	0.000	1	107.6885	0.017	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|Br<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2N)	108.7040	0.000	1	108.7040	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|Br<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2N)	109.2390	0.000	1	109.2390	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NOO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	107.7450	0.000	1	107.7450	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CF)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|F<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	109.8740	0.000	1	109.8740	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2N)	106.9247	0.335	7	106.9247	0.112	7	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2N)	107.3220	0.000	1	107.4668	0.379	36	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2N)	107.4936	0.625	26	107.4668	0.379	36	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2N)	107.5781	0.428	8	107.4668	0.379	36	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2N)	106.0240	0.000	1	107.4668	0.379	36	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2N)	105.2270	0.000	1	105.2270	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]C)(H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]C)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2N)	106.3277	0.312	3	106.3277	0.097	3	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HN)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]2N)	106.4040	0.161	4	106.4040	0.026	4	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]S)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]S)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2N)	108.5180	0.000	1	108.5180	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2N)	107.8160	0.413	2	107.8160	0.171	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHS)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2N)	108.9790	0.892	2	108.9790	0.796	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NOO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2N)	111.9230	0.000	1	111.9230	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	103.9120	0.000	1	103.9120	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2N)	106.8030	0.117	2	106.8030	0.014	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NC[6a]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2N)	108.6010	0.000	1	108.6010	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	107.3850	0.000	1	107.3850	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|Cl<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2N)	107.1450	0.000	1	107.1450	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HI)(NSS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(NSS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|I<1>,3|H<1>}	H(C[6]C[6]2N)	106.0035	0.052	2	106.0035	0.003	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	108.2641	2.062	9	108.3395	3.439	11	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	108.6785	0.291	2	108.3395	3.439	11	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	106.6140	2.079	2	106.6140	4.322	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2N)	105.4770	1.478	2	106.7106	0.740	35	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	106.7993	0.808	28	106.7106	0.740	35	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	106.7074	0.725	5	106.7106	0.740	35	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2N)	106.1510	0.000	1	108.3415	0.799	135	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2N)	108.3790	0.376	7	108.3415	0.799	135	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	108.3566	0.919	120	108.3415	0.799	135	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	108.3566	0.390	7	108.3415	0.799	135	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	106.5398	1.077	6	106.5398	1.160	6	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[4]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[4]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	109.2505	0.521	2	109.2505	0.272	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[5a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[5a]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	108.6480	0.304	2	108.6480	0.092	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	106.9970	0.132	2	106.9970	0.017	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	108.0070	0.000	1	108.0070	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6a]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	108.1360	0.044	2	108.1360	0.002	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	107.4533	1.722	31	107.4419	2.706	34	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	107.3233	0.396	3	107.4419	2.706	34	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	108.1380	0.000	1	108.1380	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	107.4624	0.865	61	107.3933	1.231	63	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	105.2855	4.713	2	107.3933	1.231	63	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	107.7289	1.265	16	107.6646	1.449	18	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	107.1495	0.152	2	107.6646	1.449	18	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	108.2037	0.987	8	108.2272	0.846	11	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	108.2897	0.902	3	108.2272	0.846	11	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2N)	108.1570	0.000	1	109.2392	1.236	6	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	109.4556	1.093	5	109.2392	1.236	6	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2N)	108.2835	0.593	2	108.5731	0.291	8	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	108.6697	0.541	6	108.5731	0.291	8	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NIrC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NIrC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	107.4768	0.445	6	107.4768	0.198	6	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NIrH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NIrH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	108.3150	0.000	1	108.3150	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NLiC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NLiC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	109.1390	0.000	1	109.1390	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	107.4173	0.957	54	107.4804	0.994	56	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	109.1835	0.334	2	107.4804	0.994	56	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMoC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMoC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	107.7850	0.332	2	107.8417	0.065	3	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMoC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMoC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	107.9550	0.000	1	107.8417	0.065	3	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	107.1922	2.108	60	107.1938	4.369	61	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	107.2910	0.000	1	107.1938	4.369	61	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	108.2570	0.000	1	108.2570	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NOsC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NOsC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	106.9677	0.394	4	106.9677	0.155	4	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPdC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPdC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	104.6257	1.667	6	104.6257	2.777	6	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPtC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPtC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	101.0928	7.036	4	101.0928	49.509	4	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPtH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPtH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	100.3180	0.000	1	100.3180	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRhS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRhS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	108.3670	0.000	1	108.3670	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRuC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRuC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	106.5561	3.019	27	106.5561	9.113	27	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NSnC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NSnC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	104.1010	0.000	1	105.6180	7.204	3	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NSnC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NSnC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	106.3765	3.310	2	105.6180	7.204	3	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	107.3008	0.898	24	107.5176	0.849	32	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	108.1679	0.684	8	107.5176	0.849	32	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	106.5810	1.110	8	106.7349	0.996	19	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	107.4242	0.850	6	106.7349	0.996	19	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	106.1540	0.488	5	106.7349	0.996	19	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2N)	106.4950	0.248	4	106.4950	0.061	4	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2N)	106.0590	0.202	2	106.0590	0.041	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HN)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	109.7410	0.000	1	109.7410	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	108.5340	0.000	1	108.8362	0.081	5	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<4>,1|I<1>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	108.9295	0.455	2	108.8362	0.081	5	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	108.8940	0.031	2	108.8362	0.081	5	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|N<4>,4|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	108.8420	0.000	1	108.8420	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HN)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2N)	107.8340	0.000	1	107.8340	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	106.9300	0.000	1	106.9300	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2N)	106.9045	0.367	2	106.9045	0.135	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	108.9230	0.000	1	108.9230	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6a]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	108.1537	0.134	3	108.1537	0.018	3	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6a]S)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6a]S)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	107.5610	0.000	1	107.5610	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	108.1085	0.032	2	108.1085	0.001	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2N)	108.3880	0.000	1	108.3880	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(NRuC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(NRuC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2N)	107.1535	0.136	2	107.1535	0.019	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2N)	108.0670	0.765	2	108.0670	0.585	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]OO)(NCO)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(NCO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	106.3970	0.000	1	106.3970	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NC[6a]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NC[6a]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2N)	107.6390	0.000	1	107.6390	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NC[6a]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2N)	108.9860	0.000	1	108.9860	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2N)	108.1714	0.170	5	108.1714	0.029	5	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NCC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	107.0690	0.000	1	107.0690	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NCS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NCS)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	107.4180	0.000	1	107.4180	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NOO)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	115.7770	0.000	1	115.7770	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NAlC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NAlC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.1324	1.197	54	108.1324	1.432	54	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NAlC)(H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NAlC)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2N)	107.9536	0.401	9	107.9536	0.161	9	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NAlC)(H)	C[6](C[6]C[6]HN)2(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NAlC)(H){1|C<4>,2|H<1>,2|N<4>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.3902	0.050	4	108.3902	0.003	4	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NAuC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NAuC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.5265	0.335	4	108.5265	0.112	4	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NBC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NBC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.4700	0.000	1	106.4700	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	106.0797	0.262	3	106.8150	0.599	106	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.8490	0.786	99	106.8150	0.599	106	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	106.5240	0.192	4	106.8150	0.599	106	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCC)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCC)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2N)	110.3067	2.679	4	110.3067	7.175	4	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCH)(H){5|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	109.6572	1.443	6	109.6572	2.082	6	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.6135	0.049	2	107.6135	0.002	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.6175	0.054	2	108.2853	0.467	529	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]2N)	114.2440	0.000	1	108.2853	0.467	529	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6]2N)	108.2262	0.091	4	108.2853	0.467	529	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|I<1>,3|H<1>}	H(C[6]C[6]2N)	108.5600	0.028	2	108.2853	0.467	529	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	107.9737	0.067	6	108.2853	0.467	529	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	108.3574	1.220	5	108.2853	0.467	529	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.2758	0.636	503	108.2853	0.467	529	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2N)	108.5080	0.242	6	108.2853	0.467	529	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCH)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2N)	110.2806	1.320	17	110.0675	1.777	20	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCH)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2N)	108.1650	0.000	1	110.0675	1.777	20	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCH)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2N)	109.2065	0.019	2	110.0675	1.777	20	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2N)	108.4066	0.396	14	108.4379	0.143	16	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2N)	108.6565	0.030	2	108.4379	0.143	16	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6]HN)2(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	109.1783	0.074	6	109.1783	0.006	6	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCH)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCH)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HN)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2N)	107.8660	0.000	1	107.8660	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCN)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2N)	107.3505	0.046	2	107.3505	0.002	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.5110	0.000	1	108.5110	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.8353	0.802	71	106.8353	0.643	71	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.9691	0.354	21	106.9691	0.125	21	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCW)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCW)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.9165	0.016	2	107.9165	0.000	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCY)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCY)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.5885	0.661	36	108.5885	0.436	36	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[3]C[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[3]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.1029	0.528	14	107.1029	0.279	14	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[4]C[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[4]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	105.3386	0.487	61	105.3386	0.237	61	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[4a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[4a]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.3365	0.610	2	108.3365	0.372	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[4a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[4a]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.5000	0.011	2	107.5000	0.000	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[5]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[5]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.5965	0.015	2	106.5965	0.000	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[5]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[5]H)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.6300	0.141	2	108.0945	0.364	18	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[5]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[5]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.0276	0.606	16	108.0945	0.364	18	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[5]H)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[5]H)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2N)	108.5490	0.000	1	108.5490	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[5]H)(H)	C[6](C[6]C[6]HN)2(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[5]H)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.5730	0.156	2	108.5730	0.024	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[5a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[5a]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.2157	0.459	21	108.2157	0.211	21	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[5a]S)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[5a]S)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.5076	0.091	5	107.5076	0.008	5	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6]B)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6]B)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.5488	1.297	24	106.5488	1.683	24	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.2217	0.751	112	106.2217	0.564	112	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2N)	107.3225	0.662	4	107.3225	0.438	4	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	108.5563	0.097	4	108.4293	0.867	23	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.4025	1.027	19	108.4293	0.867	23	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6]H)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6]H)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2N)	108.9835	2.862	4	108.9835	8.189	4	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6]N)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6]N)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.1603	0.865	4	106.1603	0.748	4	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6]P)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6]P)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2N)	107.1120	0.000	1	106.2077	1.470	39	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6]P)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6]P)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.1839	1.219	38	106.2077	1.470	39	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6]S)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6]S)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.3671	1.026	8	106.3671	1.052	8	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6]S)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6]S)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2N)	107.2365	0.601	4	107.2365	0.362	4	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6]Ta)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6]Ta)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.8088	0.269	4	106.8088	0.072	4	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6]Zr)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6]Zr)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.7413	0.769	6	107.7413	0.591	6	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6a]2)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HH)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6a]2)(H){1|O<2>,4|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2N)	107.7330	0.040	2	107.7330	0.002	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.0927	0.400	26	107.0927	0.160	26	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2N)	107.2562	0.327	4	107.5768	0.126	12	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|N<4>,4|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2N)	107.7371	0.252	8	107.5768	0.126	12	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6a]C[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6a]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	105.9757	0.831	7	105.9757	0.690	7	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.3907	0.351	4	108.3978	0.154	33	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	108.3585	0.240	8	108.3978	0.154	33	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.3378	0.406	19	108.3978	0.154	33	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	109.1390	0.048	2	108.3978	0.154	33	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2N)	109.9077	0.179	8	109.4325	0.513	12	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2N)	108.4845	0.018	2	109.4325	0.513	12	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|N<4>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.4795	0.019	2	109.4325	0.513	12	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2N)	108.5105	0.013	2	108.5105	0.000	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HH)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|O<2>,4|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2N)	108.4440	0.297	3	108.4440	0.088	3	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6](C[6]C[6]HN)2(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.4052	0.349	4	108.4052	0.122	4	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6a]Zn)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6a]Zn)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.0819	1.425	8	108.0819	2.030	8	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCaC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCaC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.5180	0.129	4	108.5180	0.017	4	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCeC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCeC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.3769	2.043	26	107.3769	4.172	26	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCoC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCoC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.2540	0.674	32	108.2540	0.455	32	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCoC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCoC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.4775	0.021	2	108.4775	0.000	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCoC)(H)	C[6](C[6]C[6]HN)2(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCoC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.4055	0.063	2	108.4055	0.004	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCrC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCrC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.8702	0.062	4	106.8702	0.004	4	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCrH)(H)	C[6](C[6]C[6]HN)2(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCrH)(H){1|C<4>,2|H<1>,2|N<4>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	110.0215	3.136	2	110.0215	9.835	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCuC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCuC)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.6915	0.303	2	108.1862	0.631	29	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCuC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCuC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.2229	0.810	27	108.1862	0.631	29	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCuC)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCuC)(H){1|N<4>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|Cu<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2N)	109.0710	0.023	2	109.0710	0.001	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCuC)(H)	C[6](C[6]C[6]HN)2(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCuC)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.5565	0.367	2	108.5158	0.458	60	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCuC)(H)	C[6](C[6]C[6]HN)2(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCuC)(H){1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.5606	0.687	54	108.5158	0.458	60	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCuC)(H)	C[6](C[6]C[6]HN)2(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCuC)(H){1|C<4>,2|H<1>,2|N<4>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.8907	0.287	4	108.5158	0.458	60	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCuH)(H)	C[6](C[6]C[6]HN)2(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCuH)(H){1|C<4>,2|H<1>,2|N<4>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	111.0905	6.841	2	111.0905	46.803	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NDyC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NDyC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.9465	0.008	2	107.9465	0.000	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NErC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NErC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.3611	0.668	58	108.3611	0.446	58	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NEuC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NEuC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.1610	0.014	2	108.1610	0.000	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NFeC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NFeC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.8741	0.970	7	107.8741	0.941	7	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NFeC)(H)	C[6](C[6]C[6]HN)2(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NFeC)(H){1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.3153	0.353	18	108.3153	0.124	18	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NGeC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NGeC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	104.9557	0.149	4	104.9557	0.022	4	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NHH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.1830	0.000	1	107.1830	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NHH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	109.1650	0.000	1	108.6248	0.700	18	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	108.7855	0.406	8	108.6248	0.700	18	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	108.8268	1.152	6	108.6248	0.700	18	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2N)	107.8355	0.022	2	108.6248	0.700	18	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.1650	0.000	1	108.6248	0.700	18	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NHH)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NHH)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2N)	109.3220	0.614	2	109.1340	0.294	3	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NHH)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NHH)(H){1|N<4>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.7580	0.000	1	109.1340	0.294	3	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NHH)(H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NHH)(H){1|N<4>,4|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2N)	109.1363	0.170	3	109.1363	0.029	3	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NHH)(H)	C[6](C[6]C[6]HN)2(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NHH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	109.1290	0.000	1	109.1290	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NHN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.9455	0.021	2	107.9455	0.000	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NHP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NHP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	108.2941	0.211	8	107.7477	2.042	73	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NHP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NHP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.6804	1.500	65	107.7477	2.042	73	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NHS)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2N)	108.9140	0.014	2	108.9140	0.000	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NHS)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NHS)(H){5|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	109.1092	1.140	6	109.1092	1.301	6	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NHS)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.1055	0.344	4	108.2284	0.092	16	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.2693	0.292	12	108.2284	0.092	16	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NHS)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NHS)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2N)	109.4745	0.008	2	109.4745	0.000	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NHS)(H)	C[6](C[6]C[6]HN)(C[6]S[6]HH)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NHS)(H){1|S<3>,4|H<1>}	C[6](C[6]C[6]HN)(C[6]S[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2N)	108.8320	0.006	2	108.8320	0.000	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NHS)(H)	C[6](C[6]C[6]HN)2(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NHS)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.0457	0.367	4	108.0457	0.135	4	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NIrC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NIrC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	105.2732	1.511	6	105.2732	2.284	6	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NLiC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NLiC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.6881	0.213	8	108.6881	0.045	8	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NLuC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NLuC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.5410	0.094	4	108.5410	0.009	4	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NMgC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NMgC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.1202	0.707	47	108.1202	0.500	47	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NMgSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NMgSi)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.7617	0.067	4	106.7617	0.004	4	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NMoC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NMoC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.0815	0.057	2	108.0815	0.003	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NNb[3]C[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NNb[3]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.8596	0.622	8	106.8596	0.386	8	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NNdC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NNdC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.6950	0.324	21	108.6950	0.105	21	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NNiC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NNiC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.6890	1.318	31	107.6890	1.738	31	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NNiC)(H)	C[6](C[6]C[6]HN)2(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NNiC)(H){1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.5872	0.124	6	108.5872	0.015	6	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NPP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NPP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.7092	0.399	5	106.7092	0.159	5	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NP[4]P)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NP[4]P)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.0330	0.000	1	107.0330	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NP[5,6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NP[5,6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.3790	0.006	2	108.3790	0.000	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NP[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NP[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.3355	0.131	2	107.3355	0.017	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NP[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NP[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.2030	0.444	59	108.2030	0.197	59	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NP[6]Li)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NP[6]Li)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.7505	0.017	4	107.7505	0.000	4	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NP[6]Sb)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NP[6]Sb)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.1485	0.080	2	107.1485	0.006	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NPdC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NPdC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.1680	0.792	22	107.1680	0.628	22	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NPrC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NPrC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.1130	0.011	2	108.1130	0.000	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NPtH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NPtH)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	105.3740	0.000	1	105.3740	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NPtH)(H)	C[6](C[6]C[6]HN)2(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NPtH)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	110.6660	0.000	1	110.6660	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NReC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NReC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.4567	0.631	4	107.4567	0.398	4	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NRhC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NRhC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.6660	0.000	1	108.6660	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NRuC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NRuC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	107.2173	0.502	8	107.2919	0.221	10	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NRuC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NRuC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.5905	0.032	2	107.2919	0.221	10	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NSS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NSS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	105.5915	0.009	2	105.5915	0.000	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NSb2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NSb2)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	105.8955	0.301	2	105.8955	0.090	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NSbH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NSbH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.8945	0.086	2	107.8945	0.007	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NSiC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NSiC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.3434	0.178	5	106.3434	0.032	5	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NSi[4]C[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NSi[4]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.7438	0.527	4	106.7438	0.277	4	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NSmC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NSmC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.0745	0.512	11	108.0745	0.262	11	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NSnC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NSnC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.2133	0.605	63	108.2133	0.366	63	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NTaC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NTaC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.5713	1.123	12	106.5713	1.261	12	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NTiC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NTiC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.8678	1.444	38	107.8678	2.084	38	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NTiP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NTiP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.9998	0.250	4	106.9998	0.063	4	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NYbC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NYbC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.4103	0.789	55	108.4103	0.622	55	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NZnC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NZnC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.4933	0.637	51	108.4933	0.406	51	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NZnC)(H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NZnC)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2N)	108.8790	0.000	1	108.8790	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NZnC)(H)	C[6](C[6]C[6]HN)2(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NZnC)(H){1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.2293	0.227	6	108.2293	0.052	6	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NZrC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NZrC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.1481	0.577	48	108.1481	0.333	48	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NCC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	106.5010	0.000	1	106.5010	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC[5]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC[5]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	108.1010	0.000	1	108.1010	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	108.1500	0.000	1	108.1500	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NHS)(H){1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2N)	111.3550	0.000	1	111.3550	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NPdC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NPdC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	109.6645	0.039	2	109.6645	0.002	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H){1|In<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	106.4840	0.234	4	106.5704	0.045	7	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H){1|In<4>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	106.6385	0.151	2	106.5704	0.045	7	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H){1|In<5>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	106.7800	0.000	1	106.5704	0.045	7	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	109.4145	0.125	2	108.5359	0.681	7	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H){1|In<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	107.6927	0.127	3	108.5359	0.681	7	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	108.9220	0.250	2	108.5359	0.681	7	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NC[6a]H)(H){1|In<4>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	108.1600	0.000	1	108.1600	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NHS)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	108.7840	0.000	1	108.7840	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(NOO)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2N)	110.9620	0.000	1	109.9465	2.062	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(NOO)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	108.9310	0.000	1	109.9465	2.062	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NHN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NHN)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2N)	109.6390	0.000	1	109.6390	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NHS)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2N)	107.3760	0.014	2	107.3760	0.000	2	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	108.6740	0.000	1	108.6740	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2N)	112.5680	0.000	1	112.5680	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HN)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]2N)	108.2640	0.000	1	108.2640	0.000	1	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	108.4965	0.310	2	108.6533	0.122	3	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|N<2>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	108.9670	0.000	1	108.6533	0.122	3	107.7595	1.782	3047	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HI)(NCC)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(H)(I)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(NCC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(H)(I){1|C<3>,2|H<1>}	H(C[6]C[6]2N)	111.4230	0.000	1	111.4230	0.000	1	107.8737	9.453	3	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HI)(NSS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)(I)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(NSS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)(I){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.0990	0.095	2	106.0990	0.009	2	107.8737	9.453	3	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[3]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[3]C[3]2)(H)	C[6](C[6]C[6]N[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[3])	C[6](C[6]C[6]HH)2(N[3]C[3]2)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]N[3]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2N[3])	109.0920	0.555	4	109.0920	0.308	4	109.0920	0.308	4	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[4]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[4]C[4]2)(H)	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[4])	C[6](C[6]C[6]HH)2(N[4]C[4]2)(H){1|C<4>,1|N<2>,1|S<2>,6|H<1>}	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N[4])	107.9777	0.077	3	107.8987	0.160	9	107.8987	0.160	9	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[4]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[4]C[4]2)(H)	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[4])	C[6](C[6]C[6]HH)2(N[4]C[4]2)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N[4])	108.4985	0.025	2	107.8987	0.160	9	107.8987	0.160	9	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[4]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[4]C[4]2)(H)	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[4])	C[6](C[6]C[6]HH)2(N[4]C[4]2)(H){2|C<4>,2|N<2>,4|H<1>}	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[4])	107.5395	0.075	4	107.8987	0.160	9	107.8987	0.160	9	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N[5]H)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(N[5]C[5]2)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N[5]H)(H)2{2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	106.7795	1.264	2	106.7795	1.597	2	106.7795	1.597	2	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[3,6]HO)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>,2|O<2>}	C[6](C[6]C[6]N[5]H)(C[6]C[3,6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2N[5])	110.6950	0.000	1	110.6950	0.000	1	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2N[5])	108.3480	0.305	2	107.5580	1.420	4	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(N[5]C[5]2)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2N[5])	106.7680	1.293	2	107.5580	1.420	4	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2N[5])	107.6420	0.305	2	107.1109	0.136	9	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2N[5])	106.9650	0.000	1	107.1109	0.136	9	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2N[5])	107.2180	0.088	2	107.1109	0.136	9	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2N[5])	106.9860	0.000	1	107.1109	0.136	9	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2N[5])	106.7750	0.151	2	107.1109	0.136	9	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H){1|Rh<6>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2N[5])	106.7770	0.000	1	107.1109	0.136	9	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2N[5])	108.5910	0.000	1	106.0567	12.487	3	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2N[5])	104.7895	3.917	2	106.0567	12.487	3	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>,2|O<2>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2N[5])	108.4660	0.000	1	108.4660	0.000	1	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]N[5]H)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|N<3>,3|C<4>,3|H<1>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6]N[5]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6]2N[5])	107.6980	0.000	1	107.6980	0.000	1	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]O[6]CH)(N[5]C[5]2)(H){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HN)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2N[5])	107.4530	0.000	1	107.4530	0.000	1	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	107.5490	0.000	1	107.5490	0.000	1	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|B<4>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	108.2884	0.691	8	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<2>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2N[5])	108.5890	0.031	2	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	107.1145	0.834	4	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|C<4>,1|N<3>,1|S<1>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	108.2188	0.059	4	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	103.1380	5.658	11	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	107.8007	0.070	4	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	107.8590	0.059	2	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	107.4740	0.397	12	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	106.1463	0.921	3	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|O<1>,1|S<4>,2|C<4>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	107.5225	0.032	2	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|S<1>,1|S<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	107.7200	4.354	2	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	107.4710	0.000	1	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	107.8721	0.863	10	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	106.8538	0.044	4	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	107.2840	0.000	1	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	108.1564	0.418	30	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	107.2915	0.050	2	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	106.6265	0.035	2	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	107.9133	1.396	17	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Co<3>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	107.4353	0.241	10	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Co<4>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	107.7446	0.251	40	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Cu<2>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	107.3100	0.000	1	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Fe<8>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	108.4597	0.164	6	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	107.1265	0.066	2	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|N<2>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	107.3003	0.111	4	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|N<2>,1|S<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	104.9300	0.010	2	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	106.9145	0.422	8	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|N<3>,2|C<4>,7|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	107.7360	0.000	1	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Ni<7>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	107.5085	0.471	4	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|O<1>,1|S<1>,1|S<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	106.7350	0.000	1	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	107.6470	0.047	2	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	108.0806	0.253	16	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Pt<4>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	107.9818	0.368	26	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Pt<5>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	107.4857	0.138	4	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Rh<4>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	108.1038	0.403	15	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Rh<6>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	107.3042	0.250	4	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Rh<6>,1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	104.5690	0.034	2	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Ru<5>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	107.4407	0.207	7	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Ru<5>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	107.1675	0.006	2	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	107.7379	0.319	16	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Ru<8>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	109.3175	0.901	4	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Se<1>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	107.8593	0.369	4	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Se<2>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	107.8447	0.490	26	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	105.3847	0.159	6	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){2|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	106.8108	0.331	12	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){3|C<4>,8|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	108.2480	0.106	4	107.5430	2.213	350	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2N[5])	108.1440	0.000	1	107.5739	0.315	13	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2N[5])	108.2270	0.000	1	107.5739	0.315	13	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2N[5])	108.6450	0.000	1	107.5739	0.315	13	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2N[5])	107.4518	0.414	6	107.5739	0.315	13	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|O<1>,2|C<4>,3|C<3>,6|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2N[5])	107.2270	0.133	2	107.5739	0.315	13	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){5|C<4>,8|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2N[5])	107.1400	0.547	2	107.5739	0.315	13	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2N[5])	107.7630	0.204	2	107.7630	0.041	2	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|Ru<6>,1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2N[5])	105.8215	2.553	2	105.8215	6.520	2	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2N[5])	107.4530	0.000	2	107.4530	0.000	2	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2N[5])	107.8770	0.000	1	107.8770	0.000	1	107.5261	2.149	391	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]C[6]H)(C[6]C[3,6]HH)(N[6]C[6]S)(H)	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]N[6]H)(H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[3,6]C[6]H)(C[6]C[3,6]HH)(N[6]C[6]S)(H){1|N<3>,2|C<3>,4|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]N[6]H)(H)2{1|S<4>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2N[6])	108.1970	0.000	1	108.1970	0.000	1	108.1970	0.000	1	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2N[6])	106.2075	0.453	2	106.2075	0.205	2	106.6603	0.961	108	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,4|C<4>,5|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2N[6])	108.9760	0.000	1	108.9760	0.000	1	106.6603	0.961	108	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[6]C[6]2)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[6]C[6]2)(H){3|C<4>,7|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2N[6])	107.1975	0.132	2	107.1975	0.017	2	106.6603	0.961	108	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[6]2)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[6]2)(H){3|C<4>,8|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2N[6])	105.4995	0.971	2	105.4995	0.943	2	106.6603	0.961	108	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2N[6])	106.4850	0.028	2	106.9366	0.346	5	106.6603	0.961	108	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2N[6])	107.8960	0.000	1	106.9366	0.346	5	106.6603	0.961	108	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H){1|N<3>,2|C<4>,8|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2N[6])	107.0730	0.000	1	106.9366	0.346	5	106.6603	0.961	108	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H){1|N<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2N[6])	106.7440	0.000	1	106.9366	0.346	5	106.6603	0.961	108	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H)	C[6](C[6]C[6]N[6]H)(C[6]O[6]CO)(H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]O[6]CO)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2N[6])	107.3660	0.000	1	107.3660	0.000	1	106.6603	0.961	108	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[6]C[6]2)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[6]C[6]2)(H){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2N[6])	106.4910	0.000	1	106.4910	0.000	1	106.6603	0.961	108	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[6])	106.4110	0.220	24	106.6155	0.951	68	106.6603	0.961	108	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N[6])	107.4095	0.057	2	106.6155	0.951	68	106.6603	0.961	108	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N[6])	107.2665	0.043	2	106.6155	0.951	68	106.6603	0.961	108	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2N[6])	106.4810	0.033	2	106.6155	0.951	68	106.6603	0.961	108	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|P<3>,4|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[6])	105.4010	0.617	4	106.6155	0.951	68	106.6603	0.961	108	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2N[6])	108.5885	0.006	2	106.6155	0.951	68	106.6603	0.961	108	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[6])	106.0499	0.461	16	106.6155	0.951	68	106.6603	0.961	108	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|C<4>,2|N<3>,8|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2N[6])	108.6388	0.124	4	106.6155	0.951	68	106.6603	0.961	108	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N[6])	108.0230	0.686	2	106.6155	0.951	68	106.6603	0.961	108	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[6])	106.1675	0.467	4	106.6155	0.951	68	106.6603	0.961	108	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){3|C<4>,8|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2N[6])	108.6340	0.016	2	106.6155	0.951	68	106.6603	0.961	108	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){3|C<4>,8|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2N[6])	106.3897	1.376	4	106.6155	0.951	68	106.6603	0.961	108	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	C[6](C[6]C[6]N[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|N<3>,2|C<4>,8|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2N[6])	106.4425	0.021	2	106.4425	0.000	2	106.6603	0.961	108	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[6]C[6]2)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[6]C[6]2)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2N[6])	106.9010	0.472	2	106.9010	0.223	2	106.6603	0.961	108	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]2)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]2)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2N[6])	106.4281	0.539	8	106.6172	0.703	13	106.6603	0.961	108	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]2)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]2)(H){1|N<3>,1|N<4>,3|C<4>,8|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2N[6])	106.9196	1.189	5	106.6172	0.703	13	106.6603	0.961	108	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N[6])	108.9080	0.000	1	108.9080	0.000	1	106.6603	0.961	108	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(N[6]C[6]2)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(N[6]C[6]2)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2N[6])	106.5639	1.334	8	106.5639	1.780	8	106.6603	0.961	108	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OCuH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OCuH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2O)	109.3295	0.059	2	109.3295	0.003	2	108.4844	0.351	35	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OLiC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OLiC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<3>,3|H<1>}	H(C[6]C[6]2O)	109.0457	0.162	4	109.0457	0.026	4	108.4844	0.351	35	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OAl2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OAl2)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.4525	0.292	14	108.4525	0.085	14	108.4844	0.351	35	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OAlH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OAlH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.1380	0.000	1	108.1380	0.000	1	108.4844	0.351	35	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(ONi2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(ONi2)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2O)	107.2993	0.047	4	107.2993	0.002	4	108.4844	0.351	35	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OYbH)(H)	C[6](C[6]C[6]HO)2(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OYbH)(H){1|C<4>,2|H<1>,2|O<3>}	C[6](C[6]C[6]HO)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.6443	0.477	10	108.6443	0.227	10	108.4844	0.351	35	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PCC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2P)	105.6570	0.000	1	105.6570	0.000	1	107.4536	2.767	368	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.2779	1.180	7	107.2779	1.392	7	107.4536	2.767	368	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.5867	2.233	4	107.5867	4.984	4	107.4536	2.767	368	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PCP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PCP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	109.1924	0.519	5	109.1924	0.269	5	107.4536	2.767	368	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[5]C[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[5]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.5862	1.711	40	107.5862	2.928	40	107.4536	2.767	368	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[5a]C[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[5a]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.9040	1.459	3	107.9040	2.130	3	107.4536	2.767	368	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.2430	1.382	28	107.2430	1.911	28	107.4536	2.767	368	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]B)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]B)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.3919	1.722	27	107.3919	2.965	27	107.4536	2.767	368	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.1676	1.928	88	107.1676	3.719	88	107.4536	2.767	368	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]N)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]N)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.7412	1.405	18	107.7412	1.974	18	107.4536	2.767	368	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]P)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]P)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.7046	1.639	26	107.7046	2.686	26	107.4536	2.767	368	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]Pb)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]Pb)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.2685	1.654	4	107.2685	2.737	4	107.4536	2.767	368	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]Pd)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]Pd)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	108.3725	0.199	4	108.3725	0.040	4	107.4536	2.767	368	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]Pt)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]Pt)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.2330	0.595	11	107.2330	0.354	11	107.4536	2.767	368	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]Ru)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]Ru)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.8689	1.610	8	106.8689	2.592	8	107.4536	2.767	368	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]Se)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]Se)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.3233	1.081	4	107.3233	1.168	4	107.4536	2.767	368	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]Sn)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]Sn)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.1993	1.608	4	107.1993	2.586	4	107.4536	2.767	368	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]Te)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]Te)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.7782	1.805	4	107.7782	3.258	4	107.4536	2.767	368	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6a]2)(H)	C[6](C[6]C[6]HP)2(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6a]2)(H){1|C<4>,2|H<1>,2|P<3>}	C[6](C[6]C[6]HP)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	109.2567	0.151	6	109.2567	0.023	6	107.4536	2.767	368	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6a]C[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6a]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.5443	1.602	54	107.5443	2.566	54	107.4536	2.767	368	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PGe[6]C[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PGe[6]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.2739	1.425	12	106.2739	2.030	12	107.4536	2.767	368	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PIrC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PIrC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	109.8210	0.170	2	109.8210	0.029	2	107.4536	2.767	368	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PMn2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PMn2)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.1685	0.025	2	107.1685	0.001	2	107.4536	2.767	368	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PPP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PPP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	108.5943	1.746	6	108.5943	3.049	6	107.4536	2.767	368	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P[4]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H)	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2P[4])	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H){1|Cl<1>,1|P<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2{1|C<4>,1|P<3>,1|P<4>,4|H<1>}	H(C[6]C[6]2P[4])	109.4368	0.182	4	109.2297	1.757	29	109.2297	1.757	29	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P[4]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H)	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2P[4])	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H){1|Cr<6>,1|P<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2{1|C<4>,1|P<3>,1|P<4>,4|H<1>}	H(C[6]C[6]2P[4])	109.2830	1.618	4	109.2297	1.757	29	109.2297	1.757	29	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P[4]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H)	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2P[4])	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H){1|P<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2{1|C<4>,2|P<3>,4|H<1>}	H(C[6]C[6]2P[4])	108.7499	0.820	10	109.2297	1.757	29	109.2297	1.757	29	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P[4]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H)	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2P[4])	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H){1|P<3>,4|H<1>,5|C<4>}	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2{1|C<4>,2|P<4>,4|H<1>}	H(C[6]C[6]2P[4])	110.2097	0.035	3	109.2297	1.757	29	109.2297	1.757	29	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P[4]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H)	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2P[4])	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H){1|P<4>,3|C<4>,4|H<1>}	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2{1|C<4>,2|P<3>,4|H<1>}	H(C[6]C[6]2P[4])	108.3000	1.068	4	109.2297	1.757	29	109.2297	1.757	29	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P[4]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H)	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2P[4])	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H){2|Cl<1>,1|P<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2{1|C<4>,2|P<4>,4|H<1>}	H(C[6]C[6]2P[4])	110.3635	2.437	4	109.2297	1.757	29	109.2297	1.757	29	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(P[5]P[5]2)(H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2P[5])	C[6](C[6]C[6]HH)2(P[5]P[5]2)(H){1|As<2>,1|P<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|P<3>,4|H<1>}	H(C[6]C[6]2P[5])	108.6322	0.351	4	108.9006	1.927	30	108.9006	1.927	30	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(P[5]P[5]2)(H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2P[5])	C[6](C[6]C[6]HH)2(P[5]P[5]2)(H){1|As<3>,1|P<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|P<3>,4|H<1>}	H(C[6]C[6]2P[5])	108.8498	0.067	4	108.9006	1.927	30	108.9006	1.927	30	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(P[5]P[5]2)(H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2P[5])	C[6](C[6]C[6]HH)2(P[5]P[5]2)(H){1|P<3>,1|P<4>,3|C<4>,4|H<1>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|P<3>,4|H<1>}	H(C[6]C[6]2P[5])	108.1961	1.772	7	108.9006	1.927	30	108.9006	1.927	30	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(P[5]P[5]2)(H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2P[5])	C[6](C[6]C[6]HH)2(P[5]P[5]2)(H){1|P<3>,1|P<4>,4|C<4>,4|H<1>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|P<3>,1|P<4>,4|H<1>}	H(C[6]C[6]2P[5])	107.1208	0.116	4	108.9006	1.927	30	108.9006	1.927	30	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(P[5]P[5]2)(H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2P[5])	C[6](C[6]C[6]HH)2(P[5]P[5]2)(H){2|P<3>,4|C<4>,4|H<1>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|P<3>,1|P<4>,4|H<1>}	H(C[6]C[6]2P[5])	109.7291	0.342	7	108.9006	1.927	30	108.9006	1.927	30	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(P[5]P[5]2)(H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2P[5])	C[6](C[6]C[6]HH)2(P[5]P[5]2)(H){2|P<3>,4|H<1>,5|C<4>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|P<4>,4|H<1>}	H(C[6]C[6]2P[5])	111.1400	0.016	2	108.9006	1.927	30	108.9006	1.927	30	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(P[5]P[5]2)(H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2P[5])	C[6](C[6]C[6]HH)2(P[5]P[5]2)(H){4|H<1>,7|C<4>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|P<4>,4|H<1>}	H(C[6]C[6]2P[5])	110.4245	0.036	2	108.9006	1.927	30	108.9006	1.927	30	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2S)	106.5590	0.000	1	106.5590	0.000	1	108.5794	1.388	70	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SC[6]Ti)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SC[6]Ti)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|S<3>,3|H<1>}	H(C[6]C[6]2S)	107.2317	0.159	3	107.2317	0.025	3	108.5794	1.388	70	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SC[6]Zr)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SC[6]Zr)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|S<3>,3|H<1>}	H(C[6]C[6]2S)	106.7225	0.069	2	106.7225	0.005	2	108.5794	1.388	70	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SCuC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SCuC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|S<3>,3|H<1>}	H(C[6]C[6]2S)	110.1467	1.640	4	110.1467	2.691	4	108.5794	1.388	70	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SNiC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SNiC)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|S<3>,2|H<1>}	H(C[6]C[6]2S)	112.6470	0.000	1	109.2308	3.335	11	108.5794	1.388	70	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SNiC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SNiC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|S<3>,3|H<1>}	H(C[6]C[6]2S)	108.8892	1.510	10	109.2308	3.335	11	108.5794	1.388	70	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(SC[5a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)2(SC[5a]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2S)	108.5749	0.508	17	108.5749	0.258	17	108.5794	1.388	70	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(SFe2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)2(SFe2)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2S)	109.0175	0.015	2	109.0175	0.000	2	108.5794	1.388	70	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(SMo2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)2(SMo2)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2S)	109.0560	0.045	4	109.0560	0.002	4	108.5794	1.388	70	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(SOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)2(SOO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2S)	109.0835	0.653	2	109.0835	0.426	2	108.5794	1.388	70	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(SPdC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)2(SPdC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2S)	108.3021	0.662	14	108.3021	0.438	14	108.5794	1.388	70	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(SRe2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)2(SRe2)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2S)	109.0375	0.008	2	109.0375	0.000	2	108.5794	1.388	70	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(SRh2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)2(SRh2)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2S)	108.6210	0.285	4	108.6210	0.081	4	108.5794	1.388	70	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(SRhC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)2(SRhC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2S)	107.4365	1.208	4	107.4365	1.458	4	108.5794	1.388	70	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Si-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(SiCC)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2Si)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(SiCC)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2Si)	106.2450	0.000	1	106.2450	0.000	1	106.2450	0.000	1	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(CNO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(CNO)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]CH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	109.6120	0.007	2	109.6120	0.000	2	109.6120	0.000	2	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CCH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	108.0035	1.015	2	108.0035	1.030	2	108.8072	1.436	14	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CNO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	109.2775	1.087	2	109.2173	0.601	3	108.8072	1.436	14	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CNO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	109.0970	0.000	1	109.2173	0.601	3	108.8072	1.436	14	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CO)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]CO)(CNO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	108.5733	0.158	4	108.5733	0.025	4	108.8072	1.436	14	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	111.8670	0.000	1	111.8670	0.000	1	108.8072	1.436	14	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]N[6]C)	107.4890	0.000	1	108.5553	1.902	3	108.8072	1.436	14	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	109.0885	1.449	2	108.5553	1.902	3	108.8072	1.436	14	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	107.8160	0.000	1	107.8160	0.000	1	108.8072	1.436	14	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:P-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(PC[6a]2Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]PdH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)(PC[6a]2Pd)(C[6]C[6]H)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]PdH)(C[6]C[6]HP)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2P)	111.5080	0.000	1	111.5080	0.000	1	111.5080	0.000	1	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:Si-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(SiC[6a]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2Si)	C[6](C[6]C[6]HH)(SiC[6a]CC)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]SiH)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2Si)	106.8480	0.000	1	106.8480	0.000	1	106.8480	0.000	1	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]IrH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6]IrH)(C[6]C[6]HH)(COO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Ir<6>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	106.6140	0.000	1	106.6140	0.000	1	108.3196	9.267	8	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]MnC)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6]MnC)(C[6]C[6]HH)(COO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Mn<7>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	106.4605	1.064	2	106.4605	1.133	2	108.3196	9.267	8	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]OsH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6]OsH)(C[6]C[6]HH)(COO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Os<9>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	113.2740	0.000	1	113.2740	0.000	1	108.3196	9.267	8	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]PtH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6]PtH)(C[6]C[6]HH)(COO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Pt<4>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	106.7270	0.141	2	106.7270	0.020	2	108.3196	9.267	8	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]RuH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6]RuH)(C[6]C[6]HH)(COO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Ru<9>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	110.1470	4.195	2	110.1470	17.594	2	108.3196	9.267	8	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	Si-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](SiC[6a]2C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2Si)	C[6](SiC[6a]2C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2Si)	110.5620	0.000	1	110.5620	0.000	1	110.5620	0.000	1	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:1:1:	4:	Si[5]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](Si[5]N[5]2I)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]Si[5]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]Si[5]C[6]N[6])	C[6](Si[5]N[5]2I)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]Si[5]N[6]H)(C[6]C[6]HH)(H)2{1|I<1>,2|C<4>,2|H<1>,2|N<3>}	H(C[6]Si[5]C[6]N[6])	106.4350	0.000	1	106.4350	0.000	1	106.4350	0.000	1	107.7041	1.986	5659	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[3,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NCC)(H)	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(OH)(H)	H(C[6]C[3,6]C[6]N)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NCC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[3,6]C[6]N)	105.2460	0.052	2	105.2460	0.003	2	105.7037	0.630	3	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[3,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(OH)(H)	H(C[6]C[3,6]C[6]N)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NCH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[3,6]C[6]N)	106.6190	0.000	1	106.6190	0.000	1	105.7037	0.630	3	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HO)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HO)(COO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[5,6]C[6]C)	108.6140	0.000	1	108.6140	0.000	1	108.4603	1.319	15	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	109.8523	0.302	3	109.8523	0.091	3	108.4603	1.319	15	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]C)	106.4660	0.000	1	106.4660	0.000	1	108.4603	1.319	15	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]C)	109.2930	0.993	2	109.2930	0.986	2	108.4603	1.319	15	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	109.0250	0.000	1	108.6635	0.261	2	108.4603	1.319	15	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){3|C<4>,5|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H){1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	108.3020	0.000	1	108.6635	0.261	2	108.4603	1.319	15	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.5510	0.000	1	108.0703	0.166	4	108.4603	1.319	15	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){3|C<4>,5|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H){1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	108.2433	0.263	3	108.0703	0.166	4	108.4603	1.319	15	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(OH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){1|I<1>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	106.4940	0.000	1	107.0370	0.590	2	108.4603	1.319	15	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(OH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){1|I<1>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(OH)(H){1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.5800	0.000	1	107.0370	0.590	2	108.4603	1.319	15	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	H(C[6]C[5,6]C[6]N)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]N)	109.2175	0.384	2	108.9383	0.308	3	109.1612	0.404	4	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	H(C[6]C[5,6]C[6]N)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]N)	108.3800	0.000	1	108.9383	0.308	3	109.1612	0.404	4	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OSi)(H)	H(C[6]C[5,6]C[6]N)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OSi)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]N)	109.8300	0.000	1	109.8300	0.000	1	109.1612	0.404	4	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(N[5]C[5]2)(H)	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]N[5])	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]N[5])	105.9523	1.321	3	105.9523	1.745	3	105.9635	1.164	4	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(N[5]C[5]2)(H)	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OC)(H)	H(C[6]C[5,6]C[6]N[5])	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(N[5]C[5]2)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]N[5])	105.9970	0.000	1	105.9970	0.000	1	105.9635	1.164	4	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OPtH)(H)	C[6](C[6]C[5,6]HO)2(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OPtH)(H){1|C<4>,1|O<2>,1|O<3>,3|H<1>}	C[6](C[6]C[5,6]HO)2(OH)(H){1|C<4>,1|O<2>,1|O<3>,2|H<1>}	H(C[6]C[5,6]C[6]O)	109.6130	0.000	1	109.6130	0.000	1	109.7445	0.035	2	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:O-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OPtH)(H)	C[6](C[6]C[5,6]HO)2(OH)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OPtH)(H){1|H<1>,1|O<3>,2|C<4>}	C[6](C[6]C[5,6]HO)2(OH)(H){1|C<4>,1|O<2>,1|O<3>,2|H<1>}	H(C[6]C[5,6]C[6]O)	109.8760	0.000	1	109.8760	0.000	1	109.7445	0.035	2	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CCH)(H)	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(OC)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CCH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(OC)(H){3|C<3>}	H(C[6]C[6,6]C[6]C)	105.1530	0.000	1	105.1530	0.000	1	107.6488	1.922	11	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(COO)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	108.2422	1.069	4	108.2422	1.144	4	107.6488	1.922	11	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(COO)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	108.5340	1.087	3	108.5340	1.181	3	107.6488	1.922	11	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(COO)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	106.6735	1.092	2	106.6735	1.194	2	107.6488	1.922	11	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HO)(CCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]3)(C[6]C[6]HO)(CCH)(H){1|O<2>,3|C<4>,7|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	107.0660	0.000	1	107.0660	0.000	1	107.6488	1.922	11	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NHS)(H)	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NN)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NHS)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]N)	109.0800	0.000	1	109.0800	0.000	1	109.0800	0.000	1	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(NOO)(H)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(NOO)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]N)	108.2360	0.000	1	108.2360	0.000	1	108.2360	0.000	1	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(N[6]C[6]2)(H)	C[6](C[6]C[6,6]N[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(N[6]C[6]2)(H){6|C<4>,8|H<1>}	C[6](C[6]C[6,6]N[6]H)(C[6]C[6]HH)(OH)(H){3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]N[6])	106.1440	0.000	1	106.1440	0.000	1	106.1440	0.000	1	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[3,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HO)(C[6]C[6]HH)(CCC)(H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[3,6,6]HO)(C[6]C[6]HH)(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]CH)(OH)(H){2|H<1>,5|C<4>}	H(C[6]C[6]2C)	106.9360	0.000	1	106.9360	0.000	1	106.9360	0.000	1	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HO)(C[6]C[6]HH)(CCO)(H)	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,3x6]HO)(C[6]C[6]HH)(CCO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]CH)(OH)(H){1|O<1>,3|C<4>,3|H<1>,3|O<2>}	H(C[6]C[6]2C)	106.4345	1.802	2	106.4345	3.249	2	105.8293	1.626	4	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HO)(C[6]C[6]HH)(COO)(H)	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,3x6]HO)(C[6]C[6]HH)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]CH)(OH)(H){1|O<1>,3|C<4>,3|H<1>,3|O<2>}	H(C[6]C[6]2C)	105.2240	0.404	2	105.2240	0.164	2	105.8293	1.626	4	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CN)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCH)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CN)(H){2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.4240	0.000	1	108.4240	0.000	1	108.4240	0.000	1	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CCC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OSi)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OSi)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.3360	0.000	1	107.3360	0.000	1	107.3360	0.000	1	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6]2C)	106.2560	0.000	1	106.2560	0.000	1	106.7622	0.468	4	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2C)	106.1360	0.000	1	106.1360	0.000	1	106.7622	0.468	4	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OS)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OS)(H){3|H<1>,5|C<4>}	H(C[6]C[6]2C)	107.0880	0.000	1	107.0880	0.000	1	106.7622	0.468	4	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CCC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CCC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6]2C)	107.5690	0.000	1	107.5690	0.000	1	106.7622	0.468	4	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]CH)(CNO)(H)	C[6](C[6]C[6]CH)(CC[6a]CH)(O[6]C[6])(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(CNO)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(CC[6a]CH)(O[6]C[6])(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2C)	108.3540	0.000	1	108.3540	0.000	1	108.1795	0.061	2	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCO)(H)	C[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6])(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCO)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.0050	0.000	1	108.0050	0.000	1	108.1795	0.061	2	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OC)(H){1|C<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.3370	0.000	1	108.3370	0.000	1	107.5933	0.452	36	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CCC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CCC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OC)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2C)	107.5680	0.000	1	107.5680	0.000	1	107.5933	0.452	36	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CCH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.2180	0.000	1	107.2180	0.000	1	107.5933	0.452	36	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.3840	0.000	1	107.3595	0.001	2	107.5933	0.452	36	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.3350	0.000	1	107.3595	0.001	2	107.5933	0.452	36	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.2680	0.000	1	107.2680	0.000	1	107.5933	0.452	36	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(COO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.6470	0.000	1	107.6470	0.000	1	107.5933	0.452	36	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(H)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5a]C[6]O)(C[6]C[6]CH)(OH)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	107.4495	0.271	2	107.4495	0.073	2	107.5933	0.452	36	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.5805	0.252	2	107.5805	0.064	2	107.5933	0.452	36	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.5770	0.000	1	108.5770	0.000	1	107.5933	0.452	36	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCO)(H)	C[6](C[6]C[6]CH)2(OSi)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(OSi)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.6220	0.000	1	106.6220	0.000	1	107.5933	0.452	36	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.6330	0.000	1	107.6330	0.000	1	107.5933	0.452	36	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CNO)(H)	C[6](C[6]C[6]CH)2(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CNO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.2320	0.221	2	108.2320	0.049	2	107.5933	0.452	36	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.2100	0.000	1	106.2100	0.000	1	107.5933	0.452	36	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H)	C[6](C[6]C[6]CH)2(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.2715	0.882	2	108.2715	0.778	2	107.5933	0.452	36	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(CCH)(H)	C[6](C[6]C[6]CH)2(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(OH)(H){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.2160	0.000	1	107.2160	0.000	1	107.5933	0.452	36	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCC)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	107.5650	0.102	2	107.2915	0.239	8	107.5933	0.452	36	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCC)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	107.2043	0.525	3	107.2915	0.239	8	107.5933	0.452	36	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCC)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2C)	107.1963	0.674	3	107.2915	0.239	8	107.5933	0.452	36	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCH)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	108.5440	0.932	2	108.5440	0.869	2	107.5933	0.452	36	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(COO)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2C)	108.9400	0.000	1	108.9400	0.000	1	107.5933	0.452	36	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CCH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	108.0820	0.000	1	108.0820	0.000	1	107.5933	0.452	36	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(CCH)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)2(CCH)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(OH)(H){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	107.1570	0.000	1	107.1570	0.000	1	107.5933	0.452	36	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HO)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HO)(CCH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	107.2985	0.667	2	107.2985	0.445	2	107.5933	0.452	36	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HO)(CCH)(H)	C[6](C[6]C[6]CH)2(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HO)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)2(OH)(H){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.0810	0.000	1	107.0810	0.000	1	107.5933	0.452	36	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CN[5]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CN[5]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	109.8430	0.000	1	109.8430	0.000	1	109.2315	0.748	2	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HS)(C[6]N[6]HH)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a])(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HS)(C[6]N[6]HH)(COO)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a])(H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	108.6200	0.000	1	108.6200	0.000	1	109.2315	0.748	2	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]2H)(O[6]C[5,6])(H)	H(C[6]C[6]3)	C[6](C[6]C[5,6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]2H)(O[6]C[5,6])(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]3)	106.7015	1.995	2	106.7015	3.979	2	106.7015	3.979	2	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[5]O[6]H)(C[6]C[6]HO)(NOO)(H)	C[6](C[5]N[5,5]C[5]C)(C[6]C[6]HN)(O[6]C[6])(H)	H(C[6]C[6]2N)	C[6](C[6]C[5]O[6]H)(C[6]C[6]HO)(NOO)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[5]N[5,5]C[5]C)(C[6]C[6]HN)(O[6]C[6])(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.9680	0.099	2	107.9680	0.010	2	107.9680	0.010	2	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(NOO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(NOO)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(OH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2N)	109.5600	0.000	1	109.5600	0.000	1	107.4827	1.236	11	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[5a]H)(C[6]C[6,6]HO)(NOO)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]C[5a]H)(C[6]C[6,6]HO)(NOO)(H){2|C<3>,2|H<1>,3|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2N)	108.5110	0.000	1	108.5110	0.000	1	107.4827	1.236	11	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(NCH)(H)	C[6](C[6,6]C[6,6]C[6]Br)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(NCH)(H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]Br)(C[6]C[6]HN)(OH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2N)	107.3600	0.000	1	107.3600	0.000	1	107.4827	1.236	11	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(NCH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2N)	108.5860	0.000	1	108.5860	0.000	1	107.4827	1.236	11	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NCC)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NCC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	106.5517	0.663	3	106.5517	0.440	3	107.4827	1.236	11	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NCH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	106.1400	0.000	1	106.1400	0.000	1	107.4827	1.236	11	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NHH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NHH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	107.0230	0.000	1	107.0230	0.000	1	107.4827	1.236	11	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NHS)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OP)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NHS)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OP)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	107.7375	0.356	2	107.7375	0.127	2	107.4827	1.236	11	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.2465	1.016	2	107.2465	1.032	2	108.0721	0.830	13	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.0617	1.085	6	108.0617	1.177	6	108.0721	0.830	13	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.3570	0.000	1	108.3570	0.000	1	108.0721	0.830	13	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NP)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.1790	0.000	1	108.1790	0.000	1	108.0721	0.830	13	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.1900	0.617	2	108.1900	0.380	2	108.0721	0.830	13	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NCH)(H)	C[6](C[6]C[6]HN)2(NN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NCH)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HN)2(NN)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[6]C[6]2N)	109.1580	0.000	1	109.1580	0.000	1	108.0721	0.830	13	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(NCC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(NCC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2N)	109.6820	0.000	1	109.6820	0.000	1	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5]O[6]H)(C[6]C[6]HO)(NOO)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[5]O[6]H)(C[6]C[6]HO)(NOO)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	107.9505	0.086	2	107.9505	0.007	2	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NCC)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NCC)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(OH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2N)	106.8160	0.000	1	106.8160	0.000	1	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HN)(OP)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NCH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HN)(OP)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2N)	109.6730	0.000	1	109.6730	0.000	1	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NC[6]H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NC[6]H)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(OH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2N)	105.6080	0.000	1	105.6080	0.000	1	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(NOO)(H)	C[6](C[6]C[6]HN)2(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(NOO)(H){1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HN)2(OC)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2N)	108.8940	0.000	1	108.8940	0.000	1	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6]2N)	107.1515	0.452	2	107.1515	0.204	2	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	105.9993	0.335	8	105.9993	0.112	8	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.1605	0.553	4	106.1605	0.306	4	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.0710	0.000	1	106.0710	0.000	1	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	105.6393	0.709	6	105.6393	0.503	6	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2N)	106.0325	0.148	2	106.0325	0.022	2	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OC)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2N)	106.4950	0.000	1	106.4950	0.000	1	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2N)	106.5243	0.289	3	106.5243	0.083	3	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.1970	0.000	1	106.1970	0.000	1	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.8510	0.115	2	109.1197	0.223	3	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	109.6570	0.000	1	109.1197	0.223	3	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6]HI)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<4>,1|I<1>,3|H<1>}	C[6](C[6]C[6]HI)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.9275	0.484	2	108.9275	0.235	2	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2N)	103.3060	0.000	1	103.3060	0.000	1	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|N<4>,4|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.8690	0.000	1	108.8690	0.000	1	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2N)	107.8800	0.000	1	107.8800	0.000	1	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC[6a])(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC[6a])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.8600	0.000	1	106.8600	0.000	1	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2N)	107.1820	0.000	1	107.1820	0.000	1	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2N)	106.6120	0.000	1	106.6120	0.000	1	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.8620	0.000	1	108.8620	0.000	1	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6a]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.9550	0.373	3	107.9550	0.139	3	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6a]S)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6a]S)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.5270	0.000	1	107.5270	0.000	1	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.1095	0.047	2	108.1095	0.002	2	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(NCH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	106.9600	0.000	1	106.9600	0.000	1	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(NHS)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(NHS)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	109.3285	1.889	2	109.3285	3.567	2	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	108.8300	0.000	1	108.8300	0.000	1	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	108.2150	0.000	1	108.2150	0.000	1	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H)	C[6](C[6]C[6]HN)2(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HN)2(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[6]C[6]2N)	108.7890	0.000	1	108.7890	0.000	1	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NHO)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NHO)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	107.5540	0.000	1	107.5540	0.000	1	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2N)	108.3025	0.045	2	108.3025	0.002	2	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	108.2855	0.699	8	108.2855	0.489	8	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	108.0040	0.813	10	108.0040	0.661	10	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	C[6](C[6]C[6]HN)2(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HN)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	109.1400	0.000	1	109.1400	0.000	1	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NHS)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NHS)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	108.0090	0.000	1	108.0090	0.000	1	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NMoC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NMoC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	108.9650	0.000	1	108.9650	0.000	1	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]2N)	107.9230	0.000	1	107.9230	0.000	1	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]2N)	109.4360	0.000	1	109.4360	0.000	1	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)2(NCC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	106.3445	2.147	4	106.3445	4.609	4	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(NCC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)2(NCC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	105.2527	1.427	4	105.2527	2.038	4	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(NCC)(H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)2(NCC)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2N)	106.8845	5.071	2	106.8845	25.712	2	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)2(NCH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	107.9710	0.371	2	107.9710	0.137	2	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)2(NCH)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	108.3140	0.000	1	108.3140	0.000	1	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)2(NCH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	105.6475	0.910	2	105.6475	0.828	2	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(NCH)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)2(NCH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2N)	108.1090	1.554	2	108.1090	2.416	2	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(NCH)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)2(NCH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2N)	108.1080	1.549	2	108.1080	2.398	2	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(NCH)(H)	C[6](C[6]C[6]HN)2(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)2(NCH)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)2(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	108.3740	0.000	1	108.3740	0.000	1	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(NCS)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)2(NCS)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	106.6010	0.000	1	106.6010	0.000	1	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(NCS)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)2(NCS)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	106.5270	0.000	1	106.5270	0.000	1	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(NHH)(H)	C[6](C[6]C[6]HN)2(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)2(NHH)(H){1|C<4>,1|N<3>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HN)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	106.5594	0.950	7	106.4993	0.479	13	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(NHH)(H)	C[6](C[6]C[6]HN)2(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)2(NHH)(H){1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[6]HN)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	106.4292	0.235	6	106.4993	0.479	13	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(NOO)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)2(NOO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2N)	108.8820	0.020	2	108.8820	0.000	2	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(NOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(NOO)(H){3|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2N)	108.3840	0.000	1	108.3840	0.000	1	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(NCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	107.1100	1.287	2	107.1100	1.656	2	107.2805	2.148	125	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(SC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(SC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.6360	0.000	1	108.6360	0.000	1	108.0980	0.579	2	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(SC[6a])(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(SC[6a])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.5600	0.000	1	107.5600	0.000	1	108.0980	0.579	2	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]N[5]H)(OH)(H)	H(C[6]C[6]2N[5])	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]N[5]H)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2N[5])	110.2110	0.000	1	110.2110	0.000	1	110.2110	0.000	1	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N[5]H)(OH)(H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N[5]H)(OH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N[5])	106.1610	0.000	1	106.1610	0.000	1	106.6125	0.408	2	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(N[5]C[5]2)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N[5]H)(OH)(H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(N[5]C[5]2)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N[5]H)(OH)(H){1|O<2>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2N[5])	107.0640	0.000	1	107.0640	0.000	1	106.6125	0.408	2	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC)(H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	107.5795	0.257	2	107.1610	0.169	5	107.1610	0.169	5	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC)(H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	106.9630	0.000	1	107.1610	0.169	5	107.1610	0.169	5	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC)(H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	106.9370	0.000	1	107.1610	0.169	5	107.1610	0.169	5	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC)(H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H){1|Rh<6>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	106.7460	0.000	1	107.1610	0.169	5	107.1610	0.169	5	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	108.6060	0.000	1	106.0657	12.880	3	107.4382	3.961	10	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	104.7955	4.010	2	106.0657	12.880	3	107.4382	3.961	10	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>,2|O<2>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2N[5])	108.5340	0.000	1	108.5340	0.000	1	107.4382	3.961	10	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H)	C[6](C[6]N[5a]O[6]C)(C[6]C[6]N[5]H)(OC)(H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|N<3>,3|C<4>,3|H<1>}	C[6](C[6]N[5a]O[6]C)(C[6]C[6]N[5]H)(OC)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2N[5])	107.8800	0.000	1	107.8800	0.000	1	107.4382	3.961	10	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2N[5])	107.9285	0.723	2	108.0840	0.390	4	107.4382	3.961	10	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H){1|Rh<6>,1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2N[5])	108.2395	0.742	2	108.0840	0.390	4	107.4382	3.961	10	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HO)(C[6]O[6]HS)(N[5]C[5]2)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2N[5])	107.4350	0.000	1	107.4350	0.000	1	107.4382	3.961	10	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HO)(N[6]C[6]C)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]2H)(C[6]C[6]HO)(N[6]C[6]C)(H){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2N[6])	108.0590	0.000	1	108.0590	0.000	1	106.8667	0.634	4	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[6]C[6]2)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[6]C[6]2)(H){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H){3|C<4>,4|H<1>}	H(C[6]C[6]2N[6])	106.5320	0.000	1	106.5320	0.000	1	106.8667	0.634	4	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]HW)(N[6]C[6]2)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HO)(C[6]C[6]HW)(N[6]C[6]2)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<1>,1|W<7>,3|C<4>}	H(C[6]C[6]2N[6])	106.4380	0.000	2	106.4380	0.000	2	106.8667	0.634	4	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OCu2)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OCu2)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	106.1550	0.000	1	107.9470	2.527	10	107.9470	2.527	10	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-3:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OCu2)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OCu2)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.1461	1.548	9	107.9470	2.527	10	107.9470	2.527	10	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(ONiH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(ONiH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,1|S<3>,2|H<1>}	H(C[6]C[6]2O)	108.0190	0.164	2	108.0190	0.027	2	108.7203	0.196	11	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OCoC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OCoC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<3>}	H(C[6]C[6]2O)	108.4960	0.000	1	108.4960	0.000	1	108.7203	0.196	11	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OCu2)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OCu2)(H){1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.9373	0.309	4	108.9373	0.095	4	108.7203	0.196	11	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OCu2)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OCu2)(H){1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.9100	0.305	4	108.9100	0.093	4	108.7203	0.196	11	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OH)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2S)	106.6150	0.000	1	106.6150	0.000	1	106.6150	0.000	1	107.5301	1.879	292	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]OO)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(CCO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.6190	0.000	1	107.6190	0.000	1	107.6190	0.000	1	106.9128	0.221	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C-2:C-2:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6a]C[6]H)(CN)2	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6a]C[6]H)(CN)2{1|N<3>,1|O<1>,2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	107.3640	0.000	1	107.3640	0.000	1	107.3640	0.000	1	106.9128	0.221	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC)(OH)	H(C[6]C[6]2N)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.7265	0.159	2	106.7265	0.025	2	106.7265	0.025	2	106.9128	0.221	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]OO)(NCC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OC)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HH)(C[6]C[6]OO)(NCC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OC)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	106.5510	0.000	1	106.5510	0.000	1	106.5205	0.002	2	106.9128	0.221	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]OO)(NCO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(OC)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(NCO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(OC)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N)	106.4900	0.000	1	106.4900	0.000	1	106.5205	0.002	2	106.9128	0.221	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[3,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:N[5a]-3:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]N[5a]H)(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]C[6a]H)(N[5a]C[5a]N[5a])(H)	H(C[6]C[3,6]C[6a]C[6])	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]N[5a]H)(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]C[6a]H)(N[5a]C[5a]N[5a])(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>,3|C<4>}	H(C[6]C[3,6]C[6a]C[6])	108.5200	0.000	1	108.5200	0.000	1	108.5200	0.000	1	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[4,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[4,6]C[6a]H)(C[6]N[5,6]C[6a]H)(C[5]C[5]N[5])(H)	H(C[6]C[4,6]C[6a]C[6])	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[4,6]C[6a]H)(C[6]N[5,6]C[6a]H)(C[5]C[5]N[5])(H){1|H<1>,3|C<4>,8|C<3>}	H(C[6]C[4,6]C[6a]C[6])	106.5127	0.304	3	106.5127	0.092	3	106.5127	0.092	3	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]CH)(COO)(H)	C[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[5,5,6]C[6]C)	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]CH)(COO)(H){2|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(CCC)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,5,6]C[6]C)	105.5620	0.000	1	105.5620	0.000	1	105.5620	0.000	1	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[3]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3]C[6]H)(COO)(H)	C[6](C[6]C[5,6]CH)(C[3]C[3]2H)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3]C[6]H)(COO)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[3]C[3]2H)(C[6]C[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]C)	109.7205	3.143	2	109.7205	9.879	2	109.7205	9.879	2	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]CH)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]CH)(COO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[5,6]C[6]C)	106.2130	0.000	1	106.2130	0.000	1	107.9357	2.227	3	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(COO)(H){1|Si<4>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5,6]C[6]C)	108.8320	0.000	1	108.8320	0.000	1	107.9357	2.227	3	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(CN[5]O)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(CN[5]O)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]C)	108.7620	0.000	1	108.7620	0.000	1	107.9357	2.227	3	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(COO)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]H)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]C)	108.8965	0.820	2	108.8965	0.672	2	108.8965	0.672	2	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(COO)(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]C)	107.7920	0.000	1	107.7920	0.000	1	107.7920	0.000	1	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HN)(COO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CH)(NOO)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HN)(COO)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CH)(NOO)(H){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[5,6]C[6]C)	106.7880	0.000	1	106.7880	0.000	1	107.3565	0.646	2	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]HN)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(NOO)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]HN)(COO)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(NOO)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]C)	107.9250	0.000	1	107.9250	0.000	1	107.3565	0.646	2	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]Ca)(C[6]C[5,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]Ca)(C[6]C[5,6]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]2)	C[6](C[5,6]C[5,6,6]C[5]Ca)(C[6]C[5,6]C[6]H)(C[6]C[6]H)(H){2|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]Ca)(C[6]C[5,6]C[6]H)(C[6]C[6]H)(H){2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]2)	107.7060	0.245	4	107.7060	0.060	4	107.7060	0.060	4	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]2)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]H)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]2)	107.0925	1.036	2	107.0925	1.073	2	107.0925	1.073	2	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(CHO)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(CHO)(H){1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.8530	0.000	1	106.8530	0.000	1	106.8530	0.000	1	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]HN)(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(NOO)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]HN)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(NOO)(H){1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[5,6]C[6a]C[6])	107.4120	0.000	1	107.4120	0.000	1	107.2640	0.027	3	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HN)(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[5,6]C[6a]H)(NOO)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HN)(C[6a]C[6a]2)(H){1|C<4>,2|N<3>,2|O<1>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[5,6]C[6a]H)(NOO)(H){2|C<4>,6|C<3>}	H(C[6]C[5,6]C[6a]C[6])	107.1900	0.143	2	107.1900	0.020	2	107.2640	0.027	3	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:N[5a]-3:H-1:	C[3,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]C[6a]H)(N[5a]C[5a]N[5a])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]N[5a]H)(C[6a]C[6a]2)(H)	H(C[6]C[5,6]N[5a]C[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]C[6a]H)(N[5a]C[5a]N[5a])(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]N[5a]H)(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[5,6]N[5a]C[6])	106.4770	0.000	1	106.4770	0.000	1	106.4770	0.000	1	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5]C[5]2H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]2H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[5]C[6]2)	107.2840	0.000	1	107.2840	0.000	1	107.2840	0.000	1	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(CHO)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]2)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(CHO)(H){1|C<4>,1|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]C)	109.2870	0.000	1	109.2870	0.000	1	109.2870	0.000	1	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCH)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	109.0480	0.008	2	109.0480	0.000	2	109.0480	0.000	2	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	P[5,5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,3x6]P[6]H)(C[6]P[5,5,6]CH)(CCH)(H)	C[6](P[5,5,6]C[5,5,6,6]C[5,5,6]W)(C[6]C[6,6]CH)(CCH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,3x6]P[6]H)(C[6]P[5,5,6]CH)(CCH)(H){1|O<2>,2|C<3>,2|W<6>,3|C<4>}	C[6](P[5,5,6]C[5,5,6,6]C[5,5,6]W)(C[6]C[6,6]CH)(CCH)(H){1|C<4>,1|P<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]C)	106.2150	0.000	1	106.2150	0.000	1	106.2150	0.000	1	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:N[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]N)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6,6]HH)(C[6a]C[6a]2)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]O[6]N)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,2|H<1>,2|O<2>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.7670	0.000	1	106.7670	0.000	1	106.7670	0.000	1	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(NOO)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]HN)(C[6a]C[6a]2)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(NOO)(H){1|C<4>,1|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]HN)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]N)	108.7020	0.000	1	108.7020	0.000	1	109.6647	0.784	3	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[5,6]C[6a]H)(NOO)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HN)(C[6a]C[6a]2)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[5,6]C[6a]H)(NOO)(H){2|C<4>,6|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HN)(C[6a]C[6a]2)(H){1|C<4>,2|N<3>,2|O<1>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]N)	110.1460	0.423	2	110.1460	0.179	2	109.6647	0.784	3	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[3]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[3]C[3]2H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3]C[6]H)(COO)(H)	H(C[6]C[3]C[6]2)	C[6](C[6]C[5,6]CH)(C[3]C[3]2H)(C[6]C[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3]C[6]H)(COO)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[3]C[6]2)	105.3600	2.003	2	105.3600	4.010	2	105.3600	4.010	2	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:B[5]-3:H-1:	C[6]-4:C[6]-4:B[5]-3:H-1:	C[6]-4:	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(B[5]O[5]2)(H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(B[5]O[5]2)(H)	H(C[6]B[5]C[6]2)	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(B[5]O[5]2)(H){2|H<1>,2|O<2>,5|C<4>}	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(B[5]O[5]2)(H){3|C<4>,3|H<1>,3|O<2>}	H(C[6]B[5]C[6]2)	105.7680	0.000	1	106.2990	0.564	2	106.2990	0.564	2	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:B[5]-3:H-1:	C[6]-4:C[6]-4:B[5]-3:H-1:	C[6]-4:	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(B[5]O[5]2)(H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(B[5]O[5]2)(H)	H(C[6]B[5]C[6]2)	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(B[5]O[5]2)(H){3|C<4>,3|H<1>,3|O<2>}	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(B[5]O[5]2)(H){2|H<1>,2|O<2>,5|C<4>}	H(C[6]B[5]C[6]2)	106.8300	0.000	1	106.2990	0.564	2	106.2990	0.564	2	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5,5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(CCC)(H)	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]CH)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(CCC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]CH)(COO)(H){2|C<3>,2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2C)	108.3180	0.000	1	108.3180	0.000	1	108.3180	0.000	1	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]CH)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]CH)(COO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.6670	0.000	1	107.6670	0.000	1	107.5360	0.052	3	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(COO)(H){1|Si<4>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	107.6690	0.000	1	107.6690	0.000	1	107.5360	0.052	3	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(CN[5]O)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(CN[5]O)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.2720	0.000	1	107.2720	0.000	1	107.5360	0.052	3	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCC)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.5520	0.000	1	107.5520	0.000	1	107.5520	0.000	1	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(COO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCH)(H){1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2C)	108.5325	0.499	2	108.5325	0.249	2	108.5325	0.249	2	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){2|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.5480	0.320	4	107.5480	0.102	4	107.3529	2.184	134	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	107.3490	0.000	1	106.8115	0.578	2	107.3529	2.184	134	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.2740	0.000	1	106.8115	0.578	2	107.3529	2.184	134	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(CCH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){2|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.3070	0.000	1	107.3070	0.000	1	107.3529	2.184	134	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)(H){1|H<1>,2|C<2>,3|C<3>}	H(C[6]C[6]2C)	107.8910	0.000	1	107.8910	0.000	1	107.3529	2.184	134	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHO)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	106.7740	0.000	1	106.7740	0.000	1	107.3529	2.184	134	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(COO)(H)	C[6](C[6]C[6]CH)2(CCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(COO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(CCH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.2180	0.000	1	107.2180	0.000	1	107.3529	2.184	134	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(CCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){2|C<3>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	107.2340	0.065	4	107.2340	0.004	4	107.3529	2.184	134	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(CCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){2|C<3>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(CCH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.6610	0.000	1	107.6610	0.000	1	107.3529	2.184	134	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]CH)(CCO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]CH)(CCO)(H){3|C<3>,4|H<1>}	H(C[6]C[6]2C)	106.5660	0.000	1	106.5660	0.000	1	107.3529	2.184	134	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.5020	0.000	1	107.6720	2.738	2	107.3529	2.184	134	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.8420	0.000	1	107.6720	2.738	2	107.3529	2.184	134	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO)(H){3|C<3>,4|H<1>}	H(C[6]C[6]2C)	107.3460	0.167	2	107.3460	0.028	2	107.3529	2.184	134	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.5860	0.000	1	107.5860	0.000	1	107.3529	2.184	134	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.9860	0.000	1	107.9860	0.000	1	107.3529	2.184	134	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHO)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHO)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCO)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	106.3520	0.000	1	106.3520	0.000	1	107.3529	2.184	134	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.7801	0.702	27	108.7801	0.492	27	107.3529	2.184	134	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.6980	0.000	1	106.8119	3.930	7	107.3529	2.184	134	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.4975	1.971	6	106.8119	3.930	7	107.3529	2.184	134	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.9240	0.000	1	107.9240	0.000	1	107.3529	2.184	134	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2C)	106.0880	0.000	1	107.5980	0.667	7	107.3529	2.184	134	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.8497	0.518	6	107.5980	0.667	7	107.3529	2.184	134	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]O)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]O)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	105.8920	0.000	1	105.8920	0.000	1	107.3529	2.184	134	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	108.6910	0.000	1	107.1346	1.087	41	107.3529	2.184	134	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.9045	0.984	12	107.1346	1.087	41	107.3529	2.184	134	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.0722	1.168	6	107.1346	1.087	41	107.3529	2.184	134	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	107.2510	0.000	1	107.1346	1.087	41	107.3529	2.184	134	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	108.2305	0.184	4	107.1346	1.087	41	107.3529	2.184	134	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.9628	1.045	17	107.1346	1.087	41	107.3529	2.184	134	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	108.8230	0.000	1	108.8230	0.000	1	107.3529	2.184	134	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CH)2(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(COO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.3860	0.000	1	106.3860	0.000	1	107.3529	2.184	134	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HN)(COO)(H)	C[6](C[6]C[6]CH)2(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(COO)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(COO)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2C)	108.5950	1.109	2	108.5950	1.229	2	107.3529	2.184	134	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCC)(H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.4550	0.000	1	107.4235	0.002	2	107.3529	2.184	134	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCC)(H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.3920	0.000	1	107.4235	0.002	2	107.3529	2.184	134	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.2240	0.000	1	107.2240	0.000	1	107.3529	2.184	134	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(CCH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(COO)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	109.5760	0.000	1	109.5760	0.000	1	107.3529	2.184	134	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(COO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.5890	0.000	1	107.5890	0.000	1	107.3529	2.184	134	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(COO)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HN)(COO)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	107.9755	1.380	2	107.9755	1.903	2	107.3529	2.184	134	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(COO)(H)	C[6](C[6]C[6]CH)2(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(COO)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)2(COO)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	104.5139	1.170	12	104.5139	1.368	12	107.3529	2.184	134	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO)(H){3|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2C)	108.4010	0.373	2	108.4010	0.139	2	107.3529	2.184	134	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)(H){1|H<1>,2|C<2>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(H){1|H<1>,3|C<3>}	H(C[6]C[6]2C)	109.1760	0.000	1	109.1760	0.000	1	107.3529	2.184	134	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]CH)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2C)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]CH)(CCO)(H){3|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2C)	105.1700	0.000	1	105.1700	0.000	1	107.3529	2.184	134	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCC)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.2760	0.000	1	107.2760	0.000	1	107.6087	0.088	3	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.8470	0.000	1	107.7750	0.010	2	107.6087	0.088	3	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.7030	0.000	1	107.7750	0.010	2	107.6087	0.088	3	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HN)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(COO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.4550	0.000	1	107.4550	0.000	1	107.9757	0.407	47	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(NOO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(NOO)(H){3|C<3>,4|H<1>}	H(C[6]C[6]2C)	107.9308	0.755	4	107.9308	0.570	4	107.9757	0.407	47	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[4]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCS)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[4]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.6600	0.000	1	108.6600	0.000	1	107.9757	0.407	47	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CNO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CNO)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.3968	0.256	5	108.0028	0.268	33	107.9757	0.407	47	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CNO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CNO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.0197	0.573	21	108.0028	0.268	33	107.9757	0.407	47	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CNO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CNO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.6709	0.186	7	108.0028	0.268	33	107.9757	0.407	47	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(COO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.2980	0.497	4	108.2980	0.247	4	107.9757	0.407	47	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(NOO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(COO)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(NOO)(H){1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2C)	109.3120	0.000	1	109.3120	0.000	1	107.9757	0.407	47	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(CNO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(CNO)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	107.4510	0.000	1	107.4510	0.000	1	107.9757	0.407	47	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(COO)(H)	C[6](C[6]C[6]CH)2(NCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(COO)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)2(NCH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	106.4860	0.000	2	106.4860	0.000	2	107.9757	0.407	47	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	Si[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]Si[6]CH)(C[6]C[6]HH)(COO)(H)	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]CH)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]Si[6]CH)(C[6]C[6]HH)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]CH)(COO)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2C)	107.0720	0.000	1	107.0720	0.000	1	107.0720	0.000	1	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[4,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[4,6]C[6a]H)(C[6]N[5,6]C[6a]H)(C[5]C[5]N[5])(H)	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H)	H(C[6]C[5]C[6]2)	C[6](C[6]C[4,6]C[6a]H)(C[6]N[5,6]C[6a]H)(C[5]C[5]N[5])(H){1|H<1>,3|C<4>,8|C<3>}	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|C<4>,3|H<1>,5|C<3>}	H(C[6]C[5]C[6]2)	107.6713	1.300	3	107.6713	1.690	3	107.6713	1.690	3	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(COO)(H)	H(C[6]C[6]3)	C[6](C[6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]H)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(COO)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]3)	106.6045	1.520	2	106.6045	2.309	2	106.6045	2.309	2	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]H)(H)	H(C[6]C[6]3)	C[6](C[6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]H)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]3)	107.4325	1.354	2	107.4325	1.834	2	107.4325	1.834	2	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCC)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6]3)	105.9550	0.000	1	105.9550	0.000	1	106.3020	0.098	3	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]3)	106.3850	0.000	1	106.4755	0.016	2	106.3020	0.098	3	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]3)	106.5660	0.000	1	106.4755	0.016	2	106.3020	0.098	3	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|I<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|I<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]3)	106.0067	0.244	4	106.0067	0.060	4	106.4296	0.295	15	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]3)	106.3900	0.000	1	106.3900	0.000	1	106.4296	0.295	15	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6]3)	105.7410	0.000	1	105.7410	0.000	1	106.4296	0.295	15	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[6]3)	106.0750	0.000	1	106.6984	0.264	9	106.4296	0.295	15	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[6]3)	106.8220	0.000	1	106.6984	0.264	9	106.4296	0.295	15	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(C[6]C[6]3)	106.5490	0.000	1	106.6984	0.264	9	106.4296	0.295	15	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]3)	106.4483	0.137	4	106.6984	0.264	9	106.4296	0.295	15	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,3|C<4>,6|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,3|C<4>,6|H<1>}	H(C[6]C[6]3)	107.5235	0.124	2	106.6984	0.264	9	106.4296	0.295	15	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){3|C<4>,7|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,4|C<4>,5|H<1>}	H(C[6]C[6]3)	107.0210	0.000	1	107.0210	0.000	1	106.7555	0.141	2	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]O)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]3)	106.4900	0.000	1	106.4900	0.000	1	106.7555	0.141	2	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(COO)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(COO)(H){2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	105.8210	0.000	1	105.8210	0.000	1	105.8210	0.000	1	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(NOO)(H)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]HN)(COO)(H)	H(C[6]C[6]2N)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(NOO)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]HN)(COO)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	109.5560	0.000	1	109.5560	0.000	1	109.5905	0.002	2	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CH)(NOO)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HN)(COO)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CH)(NOO)(H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HN)(COO)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6]2N)	109.6250	0.000	1	109.6250	0.000	1	109.5905	0.002	2	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(COO)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HN)(COO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.3070	0.000	1	106.3070	0.000	1	107.4546	0.552	48	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CNO)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CNO)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2N)	107.4248	0.425	5	107.2841	0.278	34	107.4546	0.552	48	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CNO)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CNO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.3748	0.556	22	107.2841	0.278	34	107.4546	0.552	48	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CNO)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CNO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.8987	0.330	7	107.2841	0.278	34	107.4546	0.552	48	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(COO)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(COO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.2553	0.389	4	108.2553	0.152	4	107.4546	0.552	48	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(CNO)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(CNO)(H){1|C<3>,2|H<1>}	H(C[6]C[6]2N)	109.3880	0.000	1	109.3880	0.000	1	107.4546	0.552	48	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[4]H)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[4]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	105.2990	0.000	1	105.2990	0.000	1	107.4546	0.552	48	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(NOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(COO)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(NOO)(H){1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(COO)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]2N)	108.8060	0.000	1	108.8060	0.000	1	107.4546	0.552	48	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(NCH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(COO)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)2(NCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(COO)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2N)	107.8330	0.000	2	107.8330	0.000	2	107.4546	0.552	48	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(NOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(NOO)(H){3|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2N)	107.9190	0.137	4	107.9190	0.019	4	107.4546	0.552	48	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.7823	1.262	9	107.7823	1.592	9	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.1440	0.000	1	107.1440	0.000	1	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlP)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.6510	2.111	2	106.6510	4.458	2	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.9486	0.705	11	106.9486	0.498	11	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.6520	0.704	10	106.6520	0.496	10	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[4]H)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[4]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.6190	0.225	2	106.6190	0.051	2	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[5a]H)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[5a]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.3155	0.226	2	106.3155	0.051	2	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6]C)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.1575	0.786	2	106.1575	0.617	2	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.7530	0.000	1	106.7530	0.000	1	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.2520	0.653	10	108.2520	0.426	10	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2N)	106.1090	0.000	1	108.2172	0.817	113	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<3>,4|H<1>}	H(C[6]C[6]2N)	108.7690	0.000	1	108.2172	0.817	113	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.2313	0.888	111	108.2172	0.817	113	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.4350	0.000	1	108.4350	0.000	1	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<3>,1|H<1>,1|I<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NCH)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2N)	108.6430	0.000	1	108.6430	0.000	1	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCS)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.6100	1.094	6	106.6100	1.197	6	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[4]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[4]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	109.2105	0.585	2	109.2105	0.342	2	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[5a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[5a]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.6535	0.309	2	108.6535	0.095	2	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.0410	0.110	2	107.0410	0.012	2	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6]H)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.0690	0.000	1	108.0690	0.000	1	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6a]H)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6a]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6a]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.1680	0.096	2	108.1680	0.009	2	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.3737	1.689	30	107.3737	2.853	30	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.0190	0.000	1	108.0190	0.000	1	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.1790	0.000	1	108.1790	0.000	1	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.4610	0.797	61	107.4610	0.635	61	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.7706	1.283	16	107.7706	1.647	16	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	109.3250	0.000	1	109.3250	0.000	1	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.4297	0.857	6	108.4297	0.735	6	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.0820	0.000	1	107.0820	0.000	1	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHP)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	109.4810	1.081	5	109.4810	1.169	5	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	109.5260	0.000	1	109.5260	0.000	1	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.3670	0.000	1	108.3670	0.000	1	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.6773	0.497	4	108.6773	0.247	4	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NIrC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NIrC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NIrC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NIrC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.4015	0.401	6	107.4015	0.161	6	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NLiC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NLiC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NLiC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NLiC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	109.1660	0.000	1	109.1660	0.000	1	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.3636	0.932	53	107.3636	0.869	53	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMoC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMoC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMoC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMoC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.7785	0.383	2	107.7785	0.146	2	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.0088	2.778	59	108.0088	7.716	59	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.2410	0.000	1	107.2410	0.000	1	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.2540	0.000	1	108.2540	0.000	1	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NOsC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NOsC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NOsC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NOsC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.9140	0.493	4	106.9140	0.243	4	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPdC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPdC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPdC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPdC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	103.5375	2.537	6	103.5375	6.438	6	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPtC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPtC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPtC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPtC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	101.0558	7.021	4	101.0558	49.298	4	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRuC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRuC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRuC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRuC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.5342	3.030	27	106.5342	9.184	27	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.4570	0.000	1	108.4570	0.000	1	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.3728	1.113	23	107.3728	1.238	23	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NCH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<3>,1|H<1>,1|I<1>,1|O<2>}	H(C[6]C[6]2N)	107.7250	0.000	1	107.7250	0.000	1	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]S[6]HH)(NHS)(H)	C[6](C[6]C[6]HN)(C[6]S[6]HH)(NHS)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HN)(C[6]S[6]HH)(NHS)(H){1|S<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]S[6]HH)(NHS)(H){1|S<2>,2|H<1>}	H(C[6]C[6]2N)	107.3935	0.476	2	107.3935	0.226	2	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]Se[6]CH)(C[6]C[6]HN)(NHS)(H)	C[6](C[6]Se[6]CH)(C[6]C[6]HN)(NHS)(H)	H(C[6]C[6]2N)	C[6](C[6]Se[6]CH)(C[6]C[6]HN)(NHS)(H){1|Se<2>,1|C<4>,1|H<1>}	C[6](C[6]Se[6]CH)(C[6]C[6]HN)(NHS)(H){1|Se<2>,1|C<4>,1|H<1>}	H(C[6]C[6]2N)	106.3495	1.001	2	106.3495	1.001	2	107.5737	3.354	501	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NCC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	H(C[6]C[6]2N)	106.5460	0.000	1	106.5460	0.000	1	108.4586	1.687	5	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	H(C[6]C[6]2N)	108.1330	0.000	1	108.1330	0.000	1	108.4586	1.687	5	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(N[5]C[5]2)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NHS)(H){1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(N[5]C[5]2)(H){1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6]2N)	108.2950	0.000	1	108.2950	0.000	1	108.4586	1.687	5	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NPdC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NPdC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2N)	109.6595	0.269	2	109.6595	0.073	2	108.4586	1.687	5	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	H(C[6]C[6]2N)	109.4380	0.098	2	109.1623	0.128	4	109.0130	0.131	6	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H){1|N<3>,2|C<4>,8|H<1>}	H(C[6]C[6]2N)	108.6970	0.000	1	109.1623	0.128	4	109.0130	0.131	6	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H){1|N<3>,3|C<4>,7|H<1>}	H(C[6]C[6]2N)	109.0760	0.000	1	109.1623	0.128	4	109.0130	0.131	6	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NHS)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2N)	108.7340	0.000	1	108.7340	0.000	1	109.0130	0.131	6	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]O[6]CH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]N[6]H)(C[6]O[6]CH)(NCH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2N)	108.6950	0.000	1	108.6950	0.000	1	109.0130	0.131	6	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NCC)(H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NCC)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	107.0580	0.000	1	107.0580	0.000	1	106.3960	1.267	5	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC[6]H)(H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	107.2560	0.000	1	107.2560	0.000	1	106.3960	1.267	5	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NPdC)(H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NPdC)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	106.6005	0.276	2	106.6005	0.076	2	106.3960	1.267	5	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NHS)(H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HN)(C[6]N[6]HH)(N[5]C[5]2)(H){1|C<3>,4|C<4>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NHS)(H){1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	104.4650	0.000	1	104.4650	0.000	1	106.3960	1.267	5	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6]2N[5])	108.1910	0.000	1	107.6421	0.307	12	107.6421	0.307	12	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	H(C[6]C[6]2N[5])	108.1840	0.000	1	107.6421	0.307	12	107.6421	0.307	12	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[6]C[6]2N[5])	108.6430	0.000	1	107.6421	0.307	12	107.6421	0.307	12	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	107.5674	0.403	5	107.6421	0.307	12	107.6421	0.307	12	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|O<1>,2|C<4>,3|C<3>,6|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|O<1>,2|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6]2N[5])	107.2460	0.119	2	107.6421	0.307	12	107.6421	0.307	12	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){5|C<4>,8|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){5|C<4>,8|H<1>}	H(C[6]C[6]2N[5])	107.1790	0.593	2	107.6421	0.307	12	107.6421	0.307	12	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[6]C[6]2)(H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[6]C[6]2)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	107.8765	0.211	2	107.8765	0.045	2	107.8765	0.045	2	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]O)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]O)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2N[6])	106.5310	0.000	1	106.5310	0.000	1	107.7365	2.906	2	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,4|C<4>,5|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){3|C<4>,7|H<1>}	H(C[6]C[6]2N[6])	108.9420	0.000	1	108.9420	0.000	1	107.7365	2.906	2	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[6])	106.4620	0.072	2	106.6917	0.091	4	107.0122	0.320	6	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H){1|N<3>,2|C<4>,8|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H){3|C<4>,4|H<1>}	H(C[6]C[6]2N[6])	107.0880	0.000	1	106.6917	0.091	4	107.0122	0.320	6	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H){1|N<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H){3|C<4>,4|H<1>}	H(C[6]C[6]2N[6])	106.7550	0.000	1	106.6917	0.091	4	107.0122	0.320	6	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NHS)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NHS)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[6])	107.8740	0.000	1	107.8740	0.000	1	107.0122	0.320	6	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H)	C[6](C[6]C[6]N[6]H)(C[6]O[6]CH)(NCH)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]O[6]CH)(NCH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2N[6])	107.4320	0.000	1	107.4320	0.000	1	107.0122	0.320	6	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[6]C[6]2)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[6]C[6]2)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	H(C[6]C[6]2N[6])	106.8995	0.419	2	106.8995	0.176	2	106.8995	0.176	2	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]2)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]2)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]2)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]2)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	H(C[6]C[6]2N[6])	106.4460	0.525	8	106.6676	0.707	14	107.2131	2.645	17	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]2)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]2)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]2)(H){1|N<3>,1|N<4>,3|C<4>,8|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]2)(H){1|N<3>,1|N<4>,3|C<4>,8|H<1>}	H(C[6]C[6]2N[6])	106.9630	1.127	6	106.6676	0.707	14	107.2131	2.645	17	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6]2N[6])	108.9150	0.000	1	108.9150	0.000	1	107.2131	2.645	17	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]S)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2N[6])	110.1805	2.907	2	110.1805	8.450	2	107.2131	2.645	17	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-3:H-1:	C[6]-4:C[6]-4:O-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OLiC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OLiC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OLiC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OLiC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.0360	0.277	3	109.0360	0.077	3	109.0906	0.312	5	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-3:H-1:	C[6]-4:C[6]-4:O-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OCoC)(H)	C[6](C[6]C[6]HO)2(OCoC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OCoC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OCoC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.9050	0.000	1	109.9050	0.000	1	109.0906	0.312	5	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:O-3:H-1:	C[6]-4:C[6]-4:O-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OCoC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OCoC)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OCoC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OCoC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	108.4400	0.000	1	108.4400	0.000	1	109.0906	0.312	5	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SC[6]Ti)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SC[6]Ti)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SC[6]Ti)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SC[6]Ti)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2S)	107.2223	0.140	3	107.2223	0.020	3	109.1113	6.548	21	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SC[6]Zr)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SC[6]Zr)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SC[6]Zr)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SC[6]Zr)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2S)	106.8445	0.060	2	106.8445	0.004	2	109.1113	6.548	21	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SCuC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SCuC)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SCuC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SCuC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2S)	110.2567	1.027	4	110.2567	1.054	4	109.1113	6.548	21	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SNiC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SNiC)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SNiC)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SNiC)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2S)	112.7250	0.000	1	109.5796	8.991	12	109.1113	6.548	21	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SNiC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SNiC)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SNiC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SNiC)(H){1|C<3>,4|H<1>}	H(C[6]C[6]2S)	117.5770	0.000	1	109.5796	8.991	12	109.1113	6.548	21	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SNiC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SNiC)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SNiC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(SNiC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2S)	108.4653	1.185	10	109.5796	8.991	12	109.1113	6.548	21	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:N[6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]O[6]N)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,2|H<1>,2|O<2>,5|C<3>}	C[6](C[6,6]C[6,6]O[6]N)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	107.8030	0.000	1	107.8030	0.000	1	107.8030	0.000	1	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	P[5,5,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](P[5,5,6]C[5,5,6,6]C[5,5,6]W)(C[6]C[6,6]CH)(CCH)(H)	C[6](C[6,6]C[5,3x6]P[6]H)(C[6]P[5,5,6]CH)(CCH)(H)	H(C[6]P[5,5,6]C[6]C)	C[6](P[5,5,6]C[5,5,6,6]C[5,5,6]W)(C[6]C[6,6]CH)(CCH)(H){1|C<4>,1|P<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[5,3x6]P[6]H)(C[6]P[5,5,6]CH)(CCH)(H){1|O<2>,2|C<3>,2|W<6>,3|C<4>}	H(C[6]P[5,5,6]C[6]C)	105.5100	0.000	1	105.5100	0.000	1	105.5100	0.000	1	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:1:	4:	Si[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]CH)(COO)(H)	C[6](C[6]Si[6]CH)(C[6]C[6]HH)(COO)(H)	H(C[6]Si[6]C[6]C)	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]CH)(COO)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]Si[6]CH)(C[6]C[6]HH)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]Si[6]C[6]C)	108.5910	0.000	1	108.5910	0.000	1	108.5910	0.000	1	107.5765	2.743	896	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[3]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3]C[6]O)(CCH)(H)	C[6](C[3]C[3]O[3]C)(C[6]C[6,6]CH)(C[6]C[6]C)(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3]C[6]O)(CCH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[3]C[3]O[3]C)(C[6]C[6,6]CH)(C[6]C[6]C)(OH){3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	105.2417	0.440	3	105.2417	0.194	3	105.2417	0.194	3	106.3847	1.643	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:B[5]-3:H-1:	C[5]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(B[5]O[5]2)(H)	C[6](C[5]C[5]O[5]H)(C[6]B[5]C[6]H)(C[6]C[6]O)(OH)	H(C[6]B[5]C[6]2)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(B[5]O[5]2)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[5]C[5]O[5]H)(C[6]B[5]C[6]H)(C[6]C[6]O)(OH){2|C<4>,3|O<2>,6|H<1>}	H(C[6]B[5]C[6]2)	106.6500	0.000	1	106.6500	0.000	1	106.6500	0.000	1	106.3847	1.643	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)(CN)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)(CN){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	107.8910	0.000	1	107.8910	0.000	1	107.8910	0.000	1	106.3847	1.643	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(COO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CCO)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CCO)(OH){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.1275	0.005	2	106.1275	0.000	2	106.1275	0.000	2	106.3847	1.643	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCP)(OH)	H(C[6]C[6]2N)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NC[6a]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCP)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.5570	0.000	1	108.5570	0.000	1	108.5570	0.000	1	106.3847	1.643	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:3:	4:	C[6]-4:C[3]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[3]C[3]2H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3]C[6]H)(COO)2	H(C[6]C[3]C[6]2)	C[6](C[6]C[5,6]CC)(C[3]C[3]2H)(C[6]C[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3]C[6]H)(COO)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[3]C[6]2)	107.1720	0.000	1	107.1720	0.000	1	107.1720	0.000	1	106.4090	0.856	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CHO)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(COO)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CHO)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(COO)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	106.9240	0.000	1	106.9240	0.000	1	106.9240	0.000	1	106.4090	0.856	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6a]O)(CCH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6a]O)(CCH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.7650	0.000	1	106.7650	0.000	1	106.3330	0.373	2	106.4090	0.856	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6a]S[6]H)(C[6]C[6]CC)(CC[6a]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(COO)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]S[6]H)(C[6]C[6]CC)(CC[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(COO)2{1|C<3>,1|S<2>,3|H<1>}	H(C[6]C[6]2C)	105.9010	0.000	1	105.9010	0.000	1	106.3330	0.373	2	106.4090	0.856	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(NCH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(COO)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(NCH){1|C<3>,4|H<1>}	H(C[6]C[6]2C)	104.7470	0.000	1	104.7470	0.000	1	104.7470	0.000	1	106.4090	0.856	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]2H)2(CCO)2	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]C)(H){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[6]2H)2(CCO)2{2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6]3)	106.9450	0.000	1	106.9450	0.000	1	106.9450	0.000	1	106.4090	0.856	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:3:4:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(C[6]C[6]3)	C[6](C[6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[6]C[6]3)	105.9290	0.000	1	105.9290	0.000	1	105.9290	0.000	1	105.9290	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](CC[6a]N[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2C)	C[6](CC[6a]N[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	108.9370	0.000	1	108.9370	0.000	1	108.9370	0.000	1	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[4,6]C[6a]H)(C[6]N[5,6]C[6a]H)(C[5]C[5]N[5]H)(H)	H(C[6]C[4,6]C[6a]C[6])	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,2|N<3>,4|H<1>,5|C<3>}	C[6](C[6]C[4,6]C[6a]H)(C[6]N[5,6]C[6a]H)(C[5]C[5]N[5]H)(H){2|H<1>,3|C<4>,8|C<3>}	H(C[6]C[4,6]C[6a]C[6])	105.5210	0.000	1	105.5210	0.000	1	105.5210	0.000	1	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]CH)(CC[5a]C)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6,6]C[6]C)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]CH)(CC[5a]C)(H){1|O<2>,5|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	H(C[6]C[5,6,6]C[6]C)	103.2140	0.000	1	103.2140	0.000	1	103.2140	0.000	1	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]CH)(COO)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]CH)(CH3)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]CH)(COO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]CH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.3790	0.000	1	107.3790	0.000	1	107.3790	0.000	1	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]CH)(CCO)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(CCHH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]CH)(CCO)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(CCHH)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	106.1620	0.000	1	106.1620	0.000	1	106.1620	0.000	1	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(CCCH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(COO)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(CCCH)(H){1|H<1>,1|N<2>,2|C<4>}	H(C[6]C[5,6]C[6]C)	108.1340	0.000	1	108.1340	0.000	1	107.2890	0.461	6	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]CH)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]CH)(COO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[5,6]C[6]C)	106.5980	0.000	1	106.5980	0.000	1	107.2890	0.461	6	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(CC[6a]O)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(CC[6a]O)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.2830	0.000	1	107.2830	0.000	1	107.2890	0.461	6	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]O[6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(COO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]O[6]HH)(CH3)(H){1|C<4>,2|C<3>}	H(C[6]C[5,6]C[6]C)	107.6530	0.000	1	107.6530	0.000	1	107.2890	0.461	6	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]C[6]CH)(COO)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[5,6]CH)(CCHH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]C[6]CH)(COO)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[6](C[6]C[5a,6]CH)(C[6]C[5,6]CH)(CCHH)(H){4|C<3>}	H(C[6]C[5,6]C[6]C)	106.3820	0.000	1	106.3820	0.000	1	107.2890	0.461	6	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6]CH)(CCO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6]CH)(CCO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]C)	107.6840	0.000	1	107.6840	0.000	1	107.2890	0.461	6	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]SiH)(CC[6a]O)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(SiC[6a]CC)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]SiH)(CC[6a]O)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(SiC[6a]CC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	108.0180	0.000	1	108.0180	0.000	1	108.0180	0.000	1	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[5,6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]CH)(C[6a]C[6a]2)(H)	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]2)(CH3)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]2)(CH3)(H){2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.6905	0.087	2	106.6905	0.008	2	106.6905	0.008	2	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CC)(CCHH)(H)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]CH)(C[6]C[6]O)(H){2|C<3>,4|C<4>,5|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]CC)(CCHH)(H){1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[5]C[6]2)	107.3510	0.000	1	107.3510	0.000	1	107.3510	0.000	1	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(CHO)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]CH)(CH3)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(CHO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]CH)(CH3)(H){1|H<1>,1|N<2>,1|S<4>,2|C<4>}	H(C[6]C[6,6]C[6]C)	108.9850	0.000	1	108.9850	0.000	1	108.9850	0.000	1	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(COO)(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(COO)(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.7470	0.000	1	107.7470	0.000	1	107.7470	0.000	1	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[6]O)(C[6]C[6]CH)(COO)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]CH)(CH3)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5a,6,6]C[6]O)(C[6]C[6]CH)(COO)(H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]CH)(CH3)(H){2|C<3>,2|O<2>}	H(C[6]C[6,6]C[6]C)	108.4360	0.000	1	108.4360	0.000	1	107.8785	0.252	4	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]CH)(CC[5a]O)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]CH)(CC[5a]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]C)	107.2840	0.000	1	107.2840	0.000	1	107.8785	0.252	4	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(COO)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.6830	0.000	1	107.6830	0.000	1	107.8785	0.252	4	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(CC[6a]O)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(CC[6a]O)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	108.1110	0.000	1	108.1110	0.000	1	107.8785	0.252	4	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(O){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	105.0580	0.000	1	105.0580	0.000	1	105.0580	0.000	1	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(NCH)(H)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(NCH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]N)	109.2755	0.172	2	109.2755	0.030	2	109.2755	0.030	2	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[5]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:	C[6](C[6]C[6]SiH)(C[5]C[5]2H)(C[6]C[6]O)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(SiC[6a]CC)(H)	H(C[6]C[5]C[6]2)	C[6](C[6]C[6]SiH)(C[5]C[5]2H)(C[6]C[6]O)(H){1|O<2>,3|C<4>,7|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(SiC[6a]CC)(H){1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[5]C[6]2)	106.7330	0.000	1	106.7330	0.000	1	106.7330	0.000	1	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(CCH)(H)	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.4920	0.000	2	106.4920	0.000	2	107.8070	2.346	4	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CN[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CN[5]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CH3)(H){1|Si<4>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	108.8770	0.000	1	108.8770	0.000	1	107.8070	2.346	4	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(CHHN)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(CHHN)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	109.3670	0.000	1	109.3670	0.000	1	107.8070	2.346	4	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(COO)(H)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.2720	0.000	1	107.2720	0.000	1	107.2720	0.000	1	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(COO)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(COO)(H){2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[6]C[6]2C)	105.1630	0.000	1	105.1630	0.000	1	105.1630	0.000	1	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CCC)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CC3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CCC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CC3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	101.4260	0.000	1	101.4260	0.000	1	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CCC)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CCC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.0390	0.000	1	107.0390	0.000	1	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CCC)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(CHHO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CCC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.7760	0.000	1	106.7760	0.000	1	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(COW)(H)	C[6](C[6]C[6]CH)2(CHHO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(COW)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]CH)2(CHHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2C)	107.1280	0.000	1	107.1280	0.000	1	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CH)(CHO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CH)(CHO)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.2665	0.281	2	108.2665	0.079	2	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCC)(H)	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCC)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCHH)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2C)	105.9490	0.000	1	105.9490	0.000	1	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CC3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CC3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.9830	0.534	3	108.2920	0.572	4	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CC3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CC3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	109.2190	0.000	1	108.2920	0.572	4	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(COO)(H)	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(COO)(H){1|C<3>,1|N<4>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCHH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.4265	0.426	2	106.4265	0.182	2	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2C)	106.4900	0.000	1	106.4900	0.000	1	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(COO)(H)	C[6](C[6]C[6]CH)2(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(CH3)(H){1|O<1>,3|C<4>}	H(C[6]C[6]2C)	107.1110	0.000	1	107.1110	0.000	1	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CC[6a]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHN)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CC[6a]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHN)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.4300	0.000	1	107.4300	0.000	1	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.4320	0.000	1	107.6428	0.141	5	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.4410	0.000	1	107.6428	0.141	5	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.2760	0.000	1	107.6428	0.141	5	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.0325	0.206	2	107.6428	0.141	5	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.3030	0.000	1	108.3030	0.000	1	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H)	C[6](C[6]C[6]CH)2(CCCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)2(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.6740	0.000	1	108.6740	0.000	1	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.9030	0.000	1	106.9030	0.000	1	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHN)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	105.5950	0.000	1	105.5950	0.000	1	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.0120	0.000	1	106.0120	0.000	1	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHO)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHO)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.4620	0.000	1	108.4620	0.000	1	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.6275	0.284	6	108.6275	0.081	6	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHN)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.7090	0.000	1	108.7090	0.000	1	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHN)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.4667	0.119	3	107.4667	0.014	3	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]O)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.4860	0.000	1	106.4860	0.000	1	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.0535	0.268	2	108.0535	0.072	2	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHN)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.4225	0.463	2	108.4225	0.215	2	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	107.4580	0.000	1	107.4580	0.000	1	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHN)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.6105	0.547	2	107.6105	0.299	2	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|N<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.5160	0.000	1	108.5160	0.000	1	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CH)2(CC[5]HO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(CC[5]HO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.7225	0.112	2	106.7225	0.013	2	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CH)2(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	107.1215	0.019	2	107.1215	0.000	2	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CSiC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CSiC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.2180	0.000	1	107.2180	0.000	1	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(COO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	107.6730	0.000	1	107.6730	0.000	1	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(COO)(H)	C[6](C[6]C[6]CH)2(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(COO)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)2(CCHH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	103.7675	0.323	4	103.7675	0.104	4	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCC)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2C)	107.6020	0.000	1	107.6020	0.000	1	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]CH)(CNO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(CNO)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	108.2870	0.016	2	108.2870	0.000	2	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCH)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)(H){1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	105.5930	0.000	1	105.5930	0.000	1	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCO)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HH)(H){1|O<2>,4|H<1>}	H(C[6]C[6]2C)	108.2655	0.067	2	108.2655	0.005	2	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.2710	0.000	1	108.4180	2.631	2	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(CCH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	109.5650	0.000	1	108.4180	2.631	2	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CCO)(H)	C[6](C[6]C[6]CH)2(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(CCO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2C)	108.6810	0.000	1	106.9395	6.066	2	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CCO)(H)	C[6](C[6]C[6]CH)2(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(CCO)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	105.1980	0.000	1	106.9395	6.066	2	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CC[6a]O)(H)	C[6](C[6]C[6]CH)2(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(CC[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)2(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	107.3010	0.000	1	106.0695	3.033	2	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CC[6a]O)(H)	C[6](C[6]C[6]CH)2(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(CC[6a]O)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	104.8380	0.000	1	106.0695	3.033	2	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CNO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(CNO)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	108.9610	0.000	1	108.9610	0.000	1	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(COO)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	108.2605	0.092	4	108.2908	0.007	6	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(COO)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2C)	108.3515	0.016	2	108.2908	0.007	6	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(COO)(H)	C[6](C[6]C[6]CH)2(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(COO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	108.4390	0.000	1	108.4390	0.000	1	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]MoC)(C[6]C[6]CH)(CHN)(H)	C[6](C[6]C[6]MoP)(C[6]C[6]CH)(CC3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]MoC)(C[6]C[6]CH)(CHN)(H){1|C<4>,1|H<1>,1|P<4>}	C[6](C[6]C[6]MoP)(C[6]C[6]CH)(CC3)(H){3|C<4>}	H(C[6]C[6]2C)	108.4590	0.000	1	108.4590	0.000	1	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.4390	0.000	1	108.4390	0.000	1	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO)(H)	C[6](C[6]C[6]CH)(C[6]S[6]HH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO)(H){1|S<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]S[6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2C)	108.8150	0.000	1	108.8150	0.000	1	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CN[5]O)(H)	C[6](C[6]C[6]CH)2(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CN[5]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	108.9530	0.000	1	108.9530	0.000	1	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CH)(CC[6a]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CH)(CC[6a]O)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2C)	108.1370	0.000	1	108.1370	0.000	1	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(CHO)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(CHO)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2C)	107.6190	0.000	1	107.6190	0.000	1	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CHO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCCH)(H)	H(C[6]C[6]2C)	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CHO)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCCH)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	108.0770	0.000	1	108.0770	0.000	1	107.4701	2.056	83	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CC[6]O)(H)	C[6](C[6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CC[6]O)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6]2C)	106.4220	0.000	1	106.4220	0.000	1	106.4220	0.000	1	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(COO)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NH3)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.6320	0.117	2	107.5860	0.057	4	107.5860	0.057	4	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(COO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.5400	0.385	2	107.5860	0.057	4	107.5860	0.057	4	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HP)(COO)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(PO3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HP)(COO)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(PO3)(H){1|H<1>,3|C<3>}	H(C[6]C[6]2C)	110.3660	0.000	1	110.3660	0.000	1	110.3660	0.000	1	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:N[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HP)(COO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]HH)(PO3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HP)(COO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]HH)(PO3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.2670	0.000	1	107.2670	0.000	1	107.2670	0.000	1	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HO)(CCHH)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|I<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HO)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]3)	106.0045	0.293	4	106.0045	0.086	4	106.0045	0.086	4	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]2H)(C[6]O[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]CH)(C[6]C[6]2H)(C[6]O[6]O)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	H(C[6]C[6]3)	107.9583	0.186	3	107.9583	0.035	3	107.2259	1.128	9	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]2H)(C[6]O[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]2H)(C[6]O[6]O)(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]3)	108.2140	0.000	1	108.2140	0.000	1	107.2259	1.128	9	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]HN)(C[6]C[6]2H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[6]3)	105.6105	0.148	2	105.6105	0.022	2	107.2259	1.128	9	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]HO)(C[6]C[6]2H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){2|C<3>,2|O<2>,6|H<1>}	H(C[6]C[6]3)	106.7060	0.000	1	106.7060	0.000	1	107.2259	1.128	9	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]C)(H){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]3)	106.9180	0.000	1	106.9180	0.000	1	107.2259	1.128	9	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]O[6]CC)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]2H)(C[6]C[6]CH)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]O[6]CC)(C[6]C[6]O)(H){4|H<1>,5|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]2H)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,2|O<2>,5|C<4>}	H(C[6]C[6]3)	108.0990	0.000	1	108.0990	0.000	1	107.2259	1.128	9	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6a]C[6]H)(CH3)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[3,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6a]C[6]H)(CH3)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.9460	0.000	1	106.9460	0.000	1	106.9460	0.000	1	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6a]C[6]H)(CH3)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6a]C[6]H)(CH3)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	106.5110	0.000	1	106.5110	0.000	1	106.5110	0.000	1	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6a]C[6]H)(CCCH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|N<3>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6a]C[6]H)(CCCH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	106.9650	0.147	2	106.9650	0.022	2	106.7333	0.172	3	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(C[6a]C[6a]2)(H)	C[6](C[5,6]N[5,5,6]C[5,5]H)(C[6]C[6a]C[6]H)(CC[6a]ClH)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,5,6]C[5,5]H)(C[6]C[6a]C[6]H)(CC[6a]ClH)(H){1|I<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6a]C[6]2)	106.2700	0.000	1	106.2700	0.000	1	106.7333	0.172	3	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[6](C[5,6]C[5]2C[6])(C[5]C[5]2Fe)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(NOO)(H){1|Fe<10>,1|H<1>,4|C<3>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[5]C[5]2Fe)(C[6]C[6]HN)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.9080	0.000	1	108.9080	0.000	1	108.9080	0.000	1	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5]C[6]H)(NOO)(H)	C[6](C[5]C[5]2Fe)(C[6]C[6]CH)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5]C[6]H)(NOO)(H){1|Fe<10>,1|H<1>,4|C<3>,4|C<4>}	C[6](C[5]C[5]2Fe)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2N)	109.2510	0.000	1	109.2510	0.000	1	108.5685	0.932	2	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(NCH)(H)	C[6](C[5]C[5,6a]C[6a]C[5])(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5]C[5,6a]C[6a]C[5])(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6]2N)	107.8860	0.000	1	107.8860	0.000	1	108.5685	0.932	2	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(NCO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(CC[6a]HH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(NCO)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(CC[6a]HH)(H){2|C<4>,6|H<1>}	H(C[6]C[6]2N)	107.6060	0.204	2	107.6060	0.041	2	107.2007	0.514	3	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(NCH)(H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HN)(CH3)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(NCH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HN)(CH3)(H){4|H<1>,5|C<4>}	H(C[6]C[6]2N)	106.3900	0.000	1	106.3900	0.000	1	107.2007	0.514	3	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HS)(C[6]O[6]HO)(NCH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(SC[6a]OO)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HS)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(SC[6a]OO)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	106.9570	0.078	2	106.9570	0.006	2	106.9570	0.006	2	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:F-1:	C[6]-4:	C[6](C[6]C[6]CF)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(F)	H(C[6]C[6]2N)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(F){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.9730	0.000	1	107.9730	0.000	1	107.9730	0.000	1	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]CH)(NOO)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HN)(CCHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]CH)(NOO)(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2N)	107.9580	0.000	1	107.9580	0.000	1	107.4541	2.154	30	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(NOO)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HN)(CH3)(H)	H(C[6]C[6]2N)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(NOO)(H){2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HN)(CH3)(H){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2N)	108.6750	0.000	1	108.6750	0.000	1	107.4541	2.154	30	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(NCH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	H(C[6]C[6]2N)	106.4930	0.000	1	106.4930	0.000	1	107.4541	2.154	30	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.5678	0.406	5	107.5678	0.165	5	107.4541	2.154	30	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHO)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.1440	0.000	1	108.1440	0.000	1	107.4541	2.154	30	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]C)(H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(CH3)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]C)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(CH3)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2N)	106.3487	0.299	3	106.3487	0.089	3	107.4541	2.154	30	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HN)(CHHO)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HN)(CHHO)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2N)	106.4450	0.215	4	106.4450	0.046	4	107.4541	2.154	30	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]S)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]S)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.5000	0.000	1	108.5000	0.000	1	107.4541	2.154	30	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.1420	0.000	1	108.1420	0.000	1	107.4541	2.154	30	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.5920	0.000	1	107.5920	0.000	1	107.4541	2.154	30	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(CCHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHS)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(CCHH)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	105.2190	0.000	1	105.2190	0.000	1	107.4541	2.154	30	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(CH3)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHS)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	105.0470	0.000	1	105.0470	0.000	1	107.4541	2.154	30	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CBr3)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NOO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CBr3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	112.9270	0.000	1	112.9270	0.000	1	107.4541	2.154	30	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(NCC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2N)	105.9250	0.000	1	105.9250	0.000	1	107.4541	2.154	30	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(NC[6a]H)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2N)	108.8325	0.697	2	108.8325	0.485	2	107.4541	2.154	30	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]HH)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]P[6]CH)(CCCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(NCH)(H){1|C<4>,1|H<1>,1|P<4>}	C[6](C[6]C[6]HN)(C[6]P[6]CH)(CCCH)(H){1|O<1>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	106.8300	0.000	1	106.8300	0.000	1	107.4541	2.154	30	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(NCH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(CH3)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)2(NCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(CH3)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2N)	107.7670	0.000	2	107.7670	0.000	2	107.4541	2.154	30	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(NOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2N)	108.2410	0.000	1	108.2410	0.000	1	107.4541	2.154	30	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(NOO)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HH)(CCHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(NOO)(H){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2N)	108.0660	0.000	1	108.0660	0.000	1	107.4541	2.154	30	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(NOO)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2N)	107.7890	0.000	1	107.7890	0.000	1	107.6575	0.035	2	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(NOO)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.5260	0.000	1	107.5260	0.000	1	107.6575	0.035	2	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlCC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.6485	0.258	2	108.6485	0.067	2	108.0724	1.471	42	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.6283	1.015	3	107.6283	1.030	3	108.0724	1.471	42	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.6740	0.000	1	106.6740	0.000	1	108.0724	1.471	42	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.7620	0.000	1	106.7620	0.000	1	108.0724	1.471	42	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.2500	0.016	2	108.2500	0.000	2	108.0724	1.471	42	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.7430	0.379	2	108.7430	0.144	2	108.0724	1.471	42	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.0560	0.453	2	108.0560	0.205	2	108.0724	1.471	42	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.5110	0.532	2	107.5110	0.283	2	108.0724	1.471	42	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.2960	0.000	1	107.2960	0.000	1	108.0724	1.471	42	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	112.8980	0.000	1	112.8980	0.000	1	108.0724	1.471	42	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.1690	0.160	2	107.1690	0.026	2	108.0724	1.471	42	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.2893	0.895	3	108.2893	0.801	3	108.0724	1.471	42	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NIrH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NIrHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NIrH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NIrHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.3760	0.000	1	108.3760	0.000	1	108.0724	1.471	42	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	109.2235	0.347	2	109.2235	0.121	2	108.0724	1.471	42	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMoC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMoCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMoC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMoCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.8670	0.000	1	107.8670	0.000	1	108.0724	1.471	42	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.2500	0.000	1	107.2500	0.000	1	108.0724	1.471	42	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRhS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRhCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRhS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRhCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.3810	0.000	1	108.3810	0.000	1	108.0724	1.471	42	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NSnC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NSiSnC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NSnC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NSiSnC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.7150	0.000	1	108.7150	0.000	1	108.0724	1.471	42	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NSnC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NSnHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NSnC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NSnHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	103.9960	0.000	1	103.9960	0.000	1	108.0724	1.471	42	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.2757	0.603	7	108.2757	0.364	7	108.0724	1.471	42	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.4110	0.000	1	107.4110	0.000	1	108.0724	1.471	42	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NCH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2N)	108.1325	0.195	4	108.1325	0.038	4	108.0724	1.471	42	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(PO3)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(NCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(PO3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.4130	0.000	1	108.4130	0.000	1	107.5747	0.536	3	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(NRuC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(PC[6a]2Ru)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(NRuC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(PC[6a]2Ru)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.1555	0.135	2	107.1555	0.018	2	107.5747	0.536	3	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H)	C[6](N[6]In[4,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H){1|In<5>,2|C<4>,5|H<1>}	C[6](N[6]In[4,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|C<4>,1|I<1>,1|O<2>,2|O<3>,6|H<1>}	H(C[6]C[6]2N)	106.7900	0.000	1	106.7900	0.000	1	107.0470	0.486	4	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H)	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H){1|In<4>,2|C<4>,5|H<1>}	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6]2N)	106.6450	0.000	1	106.6550	0.000	2	107.0470	0.486	4	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H)	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H){1|In<4>,2|C<4>,5|H<1>}	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|O<3>,3|C<4>,6|H<1>}	H(C[6]C[6]2N)	106.6650	0.000	1	106.6550	0.000	2	107.0470	0.486	4	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NC[6a]H)(H)	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NC[6a]H)(H){1|In<4>,2|C<4>,5|H<1>}	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){2|Cl<1>,1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[6]C[6]2N)	108.0880	0.000	1	108.0880	0.000	1	107.0470	0.486	4	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6]C[6]HS)(C[6]O[6]HO)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(SC[6a]OO)(H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HS)(C[6]O[6]HO)(N[5]C[5]2)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(SC[6a]OO)(H){2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2N[5])	106.7900	0.006	2	106.7900	0.000	2	106.7900	0.000	2	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[3,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]C[6]H)(C[6]C[3,6]HH)(N[6]C[6]S)(H)	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6]N[6]H)(C[6]N[6]HH)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[3,6]C[6]H)(C[6]C[3,6]HH)(N[6]C[6]S)(H){1|N<3>,2|C<3>,4|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6]N[6]H)(C[6]N[6]HH)(H){2|C<3>,2|S<4>,3|C<4>,5|H<1>}	H(C[6]C[6]2N[6])	108.2650	0.000	1	108.2650	0.000	1	108.2650	0.000	1	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[6]C[6]2)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(BC[6a]2O)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[6]C[6]2)(H){3|C<4>,7|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(BC[6a]2O)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N[6])	107.2310	0.083	2	107.2310	0.007	2	107.2310	0.007	2	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[6]2)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(CC[6a]HN)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[6]2)(H){3|C<4>,8|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(CC[6a]HN)(H){3|C<4>,4|H<1>}	H(C[6]C[6]2N[6])	106.0795	2.186	2	106.0795	4.777	2	106.0795	4.777	2	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(N[6]S[6]H)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(N[6]S[6]H)(H){2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|S<4>,7|H<1>}	H(C[6]C[6]2N[6])	107.3935	1.146	2	107.3935	1.314	2	107.1580	1.256	4	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]HO)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]HO)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2N[6])	105.8660	0.000	1	105.8660	0.000	1	107.1580	1.256	4	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HO)(N[6]C[6]C)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]2H)(C[6]C[6]HO)(N[6]C[6]C)(H){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2N[6])	107.9790	0.000	1	107.9790	0.000	1	107.1580	1.256	4	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:O-3:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OCuH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCuCH)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OCuH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCuCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.2625	0.023	2	109.2625	0.001	2	109.2625	0.001	2	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	H(C[6]C[6]2P)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PCC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2P)	105.6810	0.000	1	105.6810	0.000	1	105.6810	0.000	1	107.5013	1.785	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[3,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCH)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCH)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[3,6]C[6]C)	106.7585	0.902	2	107.0793	1.700	4	107.1002	1.277	5	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[3,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCH)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCH)(H){1|O<2>,2|H<1>,6|C<4>}	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[3,6]C[6]C)	108.7920	0.000	1	107.0793	1.700	4	107.1002	1.277	5	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[3,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCH)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCH)(H){1|O<2>,2|H<1>,6|C<4>}	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[3,6]C[6]C)	106.0080	0.000	1	107.0793	1.700	4	107.1002	1.277	5	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[3,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[5]C[6]O)(CCH)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[5]C[6]O)(CCH)(H){1|O<2>,3|H<1>,6|C<4>}	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){2|O<2>,4|H<1>,5|C<4>}	H(C[6]C[3,6]C[6]C)	107.1840	0.000	1	107.1840	0.000	1	107.1002	1.277	5	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]C[6]O)(CCH)(H)	C[6](C[6]C[5,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]C[6]O)(CCH)(H){1|N<2>,1|N<3>,2|H<1>,6|C<4>}	C[6](C[6]C[5,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]C)	107.7680	0.177	4	107.7680	0.031	4	107.7680	0.031	4	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CO)(CCO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(OH)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CO)(CCO)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(OH){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	104.5100	0.000	1	104.5100	0.000	1	104.5100	0.000	1	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	105.2080	0.598	2	105.2080	0.358	2	105.8680	0.728	4	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHO)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]C)	106.7340	0.000	1	106.7340	0.000	1	105.8680	0.728	4	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CClHH)(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CCH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CClHH)(OH){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	106.3220	0.000	1	106.3220	0.000	1	105.8680	0.728	4	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(NCO)(H)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(NCO)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]N)	108.2140	0.000	1	108.2140	0.000	1	108.0587	0.026	3	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(NOO)(H)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(NOO)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]N)	107.9810	0.124	2	107.9810	0.015	2	108.0587	0.026	3	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(CC[5,6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(OC)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(CC[5,6]O)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(OC){3|C<4>,5|H<1>}	H(C[6]C[6]2C)	104.6720	0.000	1	104.6720	0.000	1	105.6230	5.243	3	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(CC[6a]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(CC[6a]O)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(OH){3|C<4>,5|H<1>}	H(C[6]C[6]2C)	103.9620	0.000	1	103.9620	0.000	1	105.6230	5.243	3	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CO)(CCO)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(CH3)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CO)(CCO)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(CH3)(OH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2C)	108.2350	0.000	1	108.2350	0.000	1	105.6230	5.243	3	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2C)	106.1940	0.000	1	107.1583	0.783	3	107.2392	0.548	4	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6]2C)	107.3480	0.000	1	107.1583	0.783	3	107.2392	0.548	4	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2C)	107.9330	0.000	1	107.1583	0.783	3	107.2392	0.548	4	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CCH)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CCH)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	H(C[6]C[6]2C)	107.4820	0.000	1	107.4820	0.000	1	107.2392	0.548	4	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]CO)(CCO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]CO)(CCO)(H){2|H<1>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)(OH){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2C)	106.9010	0.000	1	106.9010	0.000	1	107.6306	0.729	29	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CO)(CCO)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CO)(CCO)(H){2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH){1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6]2C)	106.6523	0.126	3	106.6523	0.016	3	107.6306	0.729	29	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CO)(COO)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CO)(COO)(H){2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH){1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6]2C)	107.5560	0.000	1	107.0910	0.333	3	107.6306	0.729	29	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CO)(COO)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CO)(COO)(H){2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2C)	106.8585	0.585	2	107.0910	0.333	3	107.6306	0.729	29	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CO)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CO)(COO)(H){1|S<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2C)	107.9360	0.000	1	107.9360	0.000	1	107.6306	0.729	29	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CO)(CCO)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CO)(CCO)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3)(OH){1|H<1>,3|C<3>}	H(C[6]C[6]2C)	107.5780	0.946	4	107.5780	0.896	4	107.6306	0.729	29	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CO)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]2H)(C[6]C[6]CO)(CCO)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2C)	107.9870	0.000	1	107.9870	0.000	1	107.6306	0.729	29	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CC[6a]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CC[6a]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.5550	0.000	1	107.5550	0.000	1	107.6306	0.729	29	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CClHH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(COO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CClHH)(OH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.1850	0.000	1	107.1850	0.000	1	107.6306	0.729	29	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCO)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.6780	0.000	1	107.6780	0.000	1	107.6306	0.729	29	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CHO)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.1030	0.000	1	108.1030	0.000	1	107.6306	0.729	29	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]CH)2(CCHH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(COO)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)2(CCHH)(OH){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	107.9500	0.000	1	107.9500	0.000	1	107.6306	0.729	29	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]CO)(CCO)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CH3)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]ClH)(C[6]C[6]CO)(CCO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CH3)(OH){1|Cl<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.2975	0.342	2	107.2975	0.117	2	107.6306	0.729	29	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(CCO)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2C)	107.8290	0.000	1	107.8290	0.000	1	107.6306	0.729	29	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(CC[6a]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(CC[6a]O)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.1790	0.000	1	107.1790	0.000	1	107.6306	0.729	29	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(CH3)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(CH3)(OH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	106.2310	0.000	1	106.2310	0.000	1	107.6306	0.729	29	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CH3)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<2>,2|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CH3)(OH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	109.2645	0.788	2	109.2645	0.622	2	107.6306	0.729	29	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2C)	108.1060	0.000	1	108.5217	0.103	4	107.6306	0.729	29	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(H){3|H<1>,4|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2C)	108.6603	0.198	3	108.5217	0.103	4	107.6306	0.729	29	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(C[6]C[6]2)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]3)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(C[6]C[6]2)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CH3)(OH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]3)	105.4780	0.000	1	105.4780	0.000	1	105.4780	0.000	1	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(OH)	H(C[6]C[6]3)	C[6](C[6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(H){4|C<4>,7|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(OH){1|O<1>,3|C<4>,6|H<1>}	H(C[6]C[6]3)	106.8963	0.193	3	106.8963	0.037	3	106.8963	0.037	3	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:S-2:	C[6]-4:	C[6](C[6]C[6]2S)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(SC)	H(C[6]C[6]3)	C[6](C[6]C[6]2S)(C[6]C[6]HH)(C[6]C[6]O)(H){3|C<4>,8|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(SC){1|O<1>,3|C<4>,6|H<1>}	H(C[6]C[6]3)	106.3465	0.022	2	106.3465	0.000	2	106.3465	0.000	2	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(CN)	H(C[6]C[6]2N)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NOO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(CN){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.7780	0.000	1	107.7780	0.000	1	107.7780	0.000	1	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CF3)(OH)	H(C[6]C[6]2N)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CF3)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	103.9500	0.000	1	103.9500	0.000	1	107.5247	1.043	18	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCH)(OH)	H(C[6]C[6]2N)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCH)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.3930	0.000	1	107.3930	0.000	1	107.5247	1.043	18	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]CH)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH)	H(C[6]C[6]2N)	C[6](C[6]C[6]CO)(C[6]O[6]CH)(NHS)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2N)	107.5030	0.000	1	107.5030	0.000	1	107.5247	1.043	18	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(NOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2N)	109.0830	0.000	1	109.0830	0.000	1	107.5247	1.043	18	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CO)(NOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH)	H(C[6]C[6]2N)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CO)(NOO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	107.5055	0.215	11	107.5055	0.046	11	107.5247	1.043	18	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]CO)(NOO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(CH3)(OH)	H(C[6]C[6]2N)	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]CO)(NOO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2N)	108.1865	0.196	2	108.1865	0.038	2	107.5247	1.043	18	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]CO)(NOO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(CH3)(OH)	H(C[6]C[6]2N)	C[6](C[6]N[6,6]HH)(C[6]C[6]CO)(NOO)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	108.5830	0.000	1	108.5830	0.000	1	107.5247	1.043	18	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(SC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(OH)	H(C[6]C[6]2S)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(SC[6a]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(OH){5|C<4>}	H(C[6]C[6]2S)	106.6760	0.000	1	106.6760	0.000	1	106.6760	0.000	1	107.2735	1.222	79	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:3:	4:	C[4x6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6]CC)(COO)(H)	C[6](C[6]C[4x6]CH)(C[6]C[6]HH)(CH3)(CCH)	H(C[6]C[4x6]C[6]C)	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6]CC)(COO)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[4x6]CH)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[4x6]C[6]C)	105.4150	0.000	1	105.4150	0.000	1	105.4150	0.000	1	105.9436	1.900	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]CC)(COO)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(CCH)	H(C[6]C[5,6,6]C[6]C)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]CC)(COO)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6,6]C[6]C)	105.9875	0.194	2	105.9875	0.038	2	105.9875	0.038	2	105.9436	1.900	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CC)(NCH)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]ClH)(CH3)(CCH)	H(C[6]C[5,6]C[6]N)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CC)(NCH)(H){1|Cl<1>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HN)(C[6]C[6]ClH)(CH3)(CCH){2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]N)	104.2690	0.000	1	104.2690	0.000	1	104.2690	0.000	1	105.9436	1.900	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CHO)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(COO)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CHO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	108.0590	0.000	1	108.0590	0.000	1	108.0590	0.000	1	105.9436	1.900	5	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(CH3)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(CH3){2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]C)	106.0540	0.000	1	106.0540	0.000	1	106.0540	0.000	1	106.6970	1.720	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]CC)(CCO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]CC)(CCO)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	106.3105	0.025	2	106.3105	0.001	2	106.3105	0.001	2	106.6970	1.720	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2C)(NCH)(H)	C[6](C[6]C[6,6]HN)(C[6]C[6]2C)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2C)(NCH)(H){1|C<3>,4|H<1>,6|C<4>}	C[6](C[6]C[6,6]HN)(C[6]C[6]2C)(C[6]C[6]HH)(CH3){5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]N)	105.7770	0.000	1	105.7770	0.000	1	105.7770	0.000	1	106.6970	1.720	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[6]-4:C-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(CC[5,6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHO)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(CC[5,6]HO)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHO)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	105.1190	0.000	1	105.1190	0.000	1	105.1190	0.000	1	106.6970	1.720	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[5,5,6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,5,6,6]CC)(C[6]C[5,6,6]HH)(CC[6]C)(H)	C[6](C[5,5,6,6]C[3x5,6,6]C[5,6]C[5])(C[6]C[6]CH)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[5,5,6,6]CC)(C[6]C[5,6,6]HH)(CC[6]C)(H){2|C<4>,3|C<3>}	C[6](C[5,5,6,6]C[3x5,6,6]C[5,6]C[5])(C[6]C[6]CH)(CCHH)(CH3){2|H<1>,2|O<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2C)	106.5210	0.000	1	106.5210	0.000	1	106.5210	0.000	1	106.6970	1.720	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CC[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CC[6]C)(H){1|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	105.0180	1.140	2	105.0180	1.299	2	105.8515	0.617	8	106.6970	1.720	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	105.6060	0.000	1	105.7687	0.028	3	105.8515	0.617	8	106.6970	1.720	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){4|C<4>,4|H<1>}	H(C[6]C[6]2C)	105.8500	0.127	2	105.7687	0.028	3	105.8515	0.617	8	106.6970	1.720	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCO)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){4|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.9610	0.000	1	106.9610	0.000	1	105.8515	0.617	8	106.6970	1.720	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]O)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.2460	0.000	1	106.2460	0.000	1	105.8515	0.617	8	106.6970	1.720	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(COO)(H)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.2630	0.000	1	106.2630	0.000	1	105.8515	0.617	8	106.6970	1.720	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]CC)(CCC)(H)	C[6](C[6]C[3x6]HO)(C[6]C[6]CH)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[4x6]HH)(C[6]C[6]CC)(CCC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[3x6]HO)(C[6]C[6]CH)(CH3)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	105.9035	0.515	2	105.9035	0.266	2	106.5829	0.615	12	106.6970	1.720	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CC)(CHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CC)(CHO)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	107.7770	0.000	1	107.7770	0.000	1	106.5829	0.615	12	106.6970	1.720	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]CC)(CCH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CC)(CCH)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(CCHH)(CH3){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2C)	106.0843	0.901	3	106.0843	0.812	3	106.5829	0.615	12	106.6970	1.720	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.4830	0.000	1	106.4830	0.000	1	106.5829	0.615	12	106.6970	1.720	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2C)	107.0590	0.000	1	107.0590	0.000	1	106.5829	0.615	12	106.6970	1.720	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[6]CH)2(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(CCHH)(CH3){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.0130	0.000	1	106.0130	0.000	1	106.5829	0.615	12	106.6970	1.720	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]O)(H)	C[6](C[6]C[6]CH)2(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.9900	0.000	1	106.9900	0.000	1	106.5829	0.615	12	106.6970	1.720	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CCH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(CH3){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	107.2460	0.000	1	107.2460	0.000	1	106.5829	0.615	12	106.6970	1.720	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CC)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CC)(COO)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2C)	107.3670	0.000	1	107.3670	0.000	1	106.5829	0.615	12	106.6970	1.720	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCC)(H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HN)(CH3)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HN)(CH3)2{4|C<4>,4|H<1>}	H(C[6]C[6]2N)	104.7710	0.000	1	104.7710	0.000	1	107.6817	2.838	10	106.6970	1.720	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCH)(H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HN)(CH3)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HN)(CH3)2{4|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.9050	0.817	3	106.9050	0.668	3	107.6817	2.838	10	106.6970	1.720	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(CH3)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.7390	0.000	1	106.7390	0.000	1	107.6817	2.838	10	106.6970	1.720	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NHS)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(CH3)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NHS)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.1960	0.000	1	107.1960	0.000	1	107.6817	2.838	10	106.6970	1.720	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6,6]CC)(NCoC)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HN)(CH3)2	H(C[6]C[6]2N)	C[6](C[6]C[6]N[6]H)(C[6]C[6,6]CC)(NCoC)(H){1|Co<4>,1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HN)(CH3)2{1|Co<4>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	110.4690	0.000	1	110.4690	0.000	1	107.6817	2.838	10	106.6970	1.720	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6,6]CC)(NCrC)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HN)(CH3)2	H(C[6]C[6]2N)	C[6](C[6]C[6]N[6]H)(C[6]C[6,6]CC)(NCrC)(H){1|Cr<4>,1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HN)(CH3)2{1|Cr<4>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	109.0135	0.059	2	109.0135	0.003	2	107.6817	2.838	10	106.6970	1.720	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6,6]CC)(NNiC)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HN)(CH3)2	H(C[6]C[6]2N)	C[6](C[6]C[6]N[6]H)(C[6]C[6,6]CC)(NNiC)(H){1|Ni<4>,1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HN)(CH3)2{1|Ni<4>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	108.9000	0.000	1	108.9000	0.000	1	107.6817	2.838	10	106.6970	1.720	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:3:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(SC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)2	H(C[6]C[6]2S)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(SC[6a]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)2{1|O<2>,4|C<4>}	H(C[6]C[6]2S)	109.0740	0.000	1	109.0740	0.000	1	109.0740	0.000	1	106.6970	1.720	37	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	2:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CCHH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CCHH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	107.8740	0.000	1	107.8740	0.000	1	108.1620	0.382	5	108.3309	0.339	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	2:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CO)(C[6]O[6]HH)(CHHN)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]CO)(C[6]O[6]HH)(CHHN)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6]2C)	107.8760	0.250	2	107.8760	0.063	2	108.1620	0.382	5	108.3309	0.339	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	2:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CHHO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CHHO)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2C)	109.2440	0.000	1	109.2440	0.000	1	108.1620	0.382	5	108.3309	0.339	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	2:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]O[6]HH)(CC[6a]HH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HO)(C[6]O[6]HH)(CC[6a]HH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2C)	107.9400	0.000	1	107.9400	0.000	1	108.1620	0.382	5	108.3309	0.339	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	2:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]S[6]HH)(NH3)(H)	C[6](S[6]C[6,6a])(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]HH)(C[6]S[6]HH)(NH3)(H){2|C<3>}	C[6](S[6]C[6,6a])(C[6]C[6]HN)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2N)	108.7530	0.068	2	108.7530	0.005	2	108.7530	0.005	2	108.3309	0.339	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	2:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]HO)(CCHH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]O[6]HO)(CCHH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(OC)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.3050	0.594	2	108.3050	0.353	2	108.3050	0.353	2	108.3050	0.353	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	2:4:3:3:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	O[6]-2:C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]O[6]N)(C[6]C[6,6]HH)2(H)	C[6](O[6]C[6,6a])(C[6]C[6]2H)(C[6]N[6]H)(NC[6]C)	H(C[6]C[6]3)	C[6](C[6]C[6]O[6]N)(C[6]C[6,6]HH)2(H){1|C<3>,1|N<2>,3|C<4>,3|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]2H)(C[6]N[6]H)(NC[6]C){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]3)	102.6540	0.000	1	102.6540	0.000	1	102.6540	0.000	1	102.6540	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	2:4:4:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]O[6]CH)(SC[6a]OO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CH3)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6,6a]HO)(C[6]O[6]CH)(SC[6a]OO)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2S)	107.1410	0.215	2	107.1410	0.046	2	107.1410	0.046	2	107.1410	0.046	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	2:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CO)(CCHH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CH3)(OC)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CO)(CCHH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CH3)(OC){2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.2350	0.000	1	107.2350	0.000	1	107.2350	0.000	1	107.2350	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	2:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CC)(CCHH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CC)(CCHH)(H){4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHH)(CH3){1|H<1>,3|C<3>}	H(C[6]C[6]2C)	105.7853	0.970	3	105.7853	0.941	3	106.7210	1.024	8	106.7210	1.024	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	2:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CCCH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CC[5]HO)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CCCH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CC[5]HO)(CH3){2|C<3>,2|H<1>}	H(C[6]C[6]2C)	106.3980	0.000	1	106.3980	0.000	1	106.7210	1.024	8	106.7210	1.024	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	2:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CCHH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHH)(CH3){2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.5620	0.179	3	107.5620	0.032	3	106.7210	1.024	8	106.7210	1.024	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	2:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CC[5]CH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHO)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CC[5]CH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHO)(CH3){2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.3280	0.000	1	107.3280	0.000	1	106.7210	1.024	8	106.7210	1.024	8	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:2:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(CCCH)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(CCCH)(H){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]CH)(H){1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6]2C)	106.8450	0.000	1	106.8450	0.000	1	106.8450	0.000	1	107.5185	0.907	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:2:4:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	N[5a,6]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a,6]O[6]H)(C[6]C[6]HH)2(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(O[6]C[6,6a])(C[6]C[6]2H)(H)	H(C[6]C[6]3)	C[6](C[6]N[5a,6]O[6]H)(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(O[6]C[6,6a])(C[6]C[6]2H)(H){2|C<4>,4|H<1>,5|C<3>}	H(C[6]C[6]3)	108.1920	0.000	1	108.1920	0.000	1	108.1920	0.000	1	107.5185	0.907	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(CH3)(H)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(CH3)(H){1|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,2|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6]2C)	108.0180	0.040	2	108.0180	0.002	2	108.0180	0.002	2	107.0052	2.182	41	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CHHO)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CHHO)(H){1|N<2>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6]2C)	107.3920	0.000	1	107.3920	0.000	1	107.3920	0.000	1	107.0052	2.182	41	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(CH3)(H){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,4|H<1>,5|C<3>}	H(C[6]C[6]2C)	107.5760	0.000	1	107.5760	0.000	1	106.4393	0.612	4	107.0052	2.182	41	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CC)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CC)(CCHH)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	H(C[6]C[6]2C)	106.0603	0.237	3	106.0603	0.056	3	106.4393	0.612	4	107.0052	2.182	41	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]HH)(CCCH)(H)	C[6](C[6a]C[6a]2)(N[6]C[5,6]C)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]HH)(CCCH)(H){5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[5,6]C)(C[6]C[6]CH)(H){1|N<3>,1|S<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2C)	107.3100	0.000	1	107.3100	0.000	1	107.3100	0.000	1	107.0052	2.182	41	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]CH)(CHHN)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]CH)(CHHN)(H){1|N<2>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.9870	0.000	1	108.9870	0.000	1	108.2470	0.335	4	107.0052	2.182	41	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]CH)(CHHO)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]CH)(CHHO)(H){1|N<2>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.2180	0.000	1	108.2180	0.000	1	108.2470	0.335	4	107.0052	2.182	41	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6a]N[6]H)(CHHO)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]S[5a])(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6a]N[6]H)(CHHO)(H){1|H<1>,1|S<2>,5|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]S[5a])(C[6]C[6]CH)(H){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6]2C)	107.8915	0.452	2	107.8915	0.204	2	108.2470	0.335	4	107.0052	2.182	41	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]HH)(CH3)(H)	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2C)	107.1910	0.000	1	107.1910	0.000	1	107.1910	0.000	1	107.0052	2.182	41	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(CH3)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(CH3)(H){1|H<1>,6|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){3|H<1>,5|C<3>}	H(C[6]C[6]2C)	107.5480	0.000	1	107.5480	0.000	1	105.8057	3.420	7	107.0052	2.182	41	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HN)(CHHO)(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HN)(CHHO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	H(C[6]C[6]2C)	104.3335	0.110	4	104.3335	0.012	4	105.8057	3.420	7	107.0052	2.182	41	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6a]N[6]H)(CHHO)(H)	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6a]N[6]H)(CHHO)(H){1|H<1>,1|S<2>,5|C<3>}	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.8790	0.423	2	107.8790	0.179	2	105.8057	3.420	7	107.0052	2.182	41	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6,6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2H)(H)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]C[6,6]H)(C[6]C[6]HH)2(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2H)(H){1|N<3>,1|O<1>,3|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6]3)	106.5900	0.000	1	106.5900	0.000	1	106.5900	0.000	1	107.0052	2.182	41	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]2H)(C[6]C[6]HH)2(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H){1|Cl<1>,3|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6]3)	103.3520	0.793	2	103.3520	0.629	2	103.3520	0.629	2	107.0052	2.182	41	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6,6a]-3:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HS)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)(H){2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HS)(H){1|C<4>,4|H<1>,5|C<3>}	H(C[6]C[6]2S)	106.9590	0.000	1	106.9590	0.000	1	106.9590	0.000	1	107.0052	2.182	41	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SCOO)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SCOO)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,4|H<1>,5|C<3>}	H(C[6]C[6]2S)	107.5750	0.000	1	107.5750	0.000	1	107.6262	0.626	17	107.0052	2.182	41	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6]2S)	108.5173	0.878	3	107.9149	0.741	8	107.6262	0.626	17	107.0052	2.182	41	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6]2S)	108.2780	0.000	2	107.9149	0.741	8	107.6262	0.626	17	107.0052	2.182	41	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){5|C<3>,5|H<1>}	H(C[6]C[6]2S)	107.0703	0.278	3	107.9149	0.741	8	107.6262	0.626	17	107.0052	2.182	41	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,4|H<1>,5|C<3>}	H(C[6]C[6]2S)	107.7173	0.182	6	107.3440	0.502	8	107.6262	0.626	17	107.0052	2.182	41	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H){5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){4|H<1>,6|C<3>}	H(C[6]C[6]2S)	106.2240	0.052	2	107.3440	0.502	8	107.6262	0.626	17	107.0052	2.182	41	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:3:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]C[6a]O)(C[6]C[6a]C[6]H)(CHHO)(H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]C[6a]O)(C[6]C[6a]C[6]H)(CHHO)(H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(OH){3|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2C)	106.9355	0.095	2	106.9355	0.009	2	106.9355	0.009	2	106.9355	0.009	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]HH)(CC[6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(H)2	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]HH)(CC[6a]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[3,6]C[6]C)	106.6500	0.000	1	106.6500	0.000	1	106.6500	0.000	1	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[4,6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]HH)(CHHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CH)(H)2	H(C[6]C[4,6]C[6]C)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]HH)(CHHO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]C)	108.0840	0.000	1	107.4220	0.876	2	107.4220	0.876	2	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[4,6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]HH)(CHHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CH)(H)2	H(C[6]C[4,6]C[6]C)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]HH)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]C)	106.7600	0.000	1	107.4220	0.876	2	107.4220	0.876	2	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[4x6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[4x6]C[6])(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[4x6]C[6])(C[6]C[4x6]CH)(H)2	H(C[6]C[4x6]C[6]C)	C[6](C[4x6]C[3x6]C[4x6]C[6])(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6,6]C[4x6]C[6])(C[6]C[4x6]CH)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[4x6]C[6]C)	106.8260	0.000	1	107.1550	0.216	2	107.1550	0.216	2	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[4x6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[4x6]C[6])(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[4x6]C[6])(C[6]C[4x6]CH)(H)2	H(C[6]C[4x6]C[6]C)	C[6](C[4x6]C[3x6]C[4x6]C[6])(C[6]C[6,6]HH)(CH3)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[4x6]C[6])(C[6]C[4x6]CH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[4x6]C[6]C)	107.4840	0.000	1	107.1550	0.216	2	107.1550	0.216	2	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(CHHO)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(CHHO)(H){1|C<4>,1|O<1>,2|C<3>,2|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]C)	106.6030	0.000	1	106.6030	0.000	1	106.9383	0.091	3	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5a,6]HH)(CCHH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5a,6]HH)(CCHH)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.0250	0.000	1	107.0250	0.000	1	106.9383	0.091	3	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]HH)(CCHH)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]HH)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[5,6]C[6]C)	107.1870	0.000	1	107.1870	0.000	1	106.9383	0.091	3	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CCCH)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CCCH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]C)	106.3530	0.000	1	106.3530	0.000	1	106.8922	0.346	4	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]C)	107.0720	0.570	3	107.0720	0.325	3	106.8922	0.346	4	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(CH3)(H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[5,6]CH)(H)2{1|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]C)	107.8460	0.000	1	107.8460	0.000	1	107.8460	0.000	1	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CHHO)(H){1|N<3>,2|O<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5,6]CH)(H)2{1|H<1>,5|C<3>}	H(C[6]C[5,6]C[6]C)	107.6590	0.000	1	107.6590	0.000	1	107.6590	0.000	1	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]N[5,6]HH)(CCHH)(H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]2C)(C[6]N[5,6]HH)(CCHH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[5,6]CH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]C)	105.6190	0.000	1	105.6190	0.000	1	105.6190	0.000	1	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(CCHH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]C)	108.7000	0.000	1	108.7000	0.000	1	108.2015	0.497	2	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	107.7030	0.000	1	107.7030	0.000	1	108.2015	0.497	2	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(CCHH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	107.6230	0.000	1	107.6230	0.000	1	107.9334	0.101	11	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]HH)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]HH)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[6]C[6,6]C[6]C)	107.4250	0.232	2	107.9644	0.100	10	107.9334	0.101	11	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]HH)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]HH)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2{1|C<4>,2|C<3>,3|O<2>}	H(C[6]C[6,6]C[6]C)	107.9290	0.105	2	107.9644	0.100	10	107.9334	0.101	11	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]HH)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]HH)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2{1|C<4>,2|C<3>,3|O<2>}	H(C[6]C[6,6]C[6]C)	108.1560	0.081	6	107.9644	0.100	10	107.9334	0.101	11	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HH)(CCHH)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]C)	105.0430	0.000	1	104.8573	0.225	3	107.5174	2.462	20	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HH)(CCHH)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HH)(CCHH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]C)	105.2110	0.000	1	104.8573	0.225	3	107.5174	2.462	20	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HH)(CCHH)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HH)(CCHH)(H){2|H<1>,5|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]C)	104.3180	0.000	1	104.8573	0.225	3	107.5174	2.462	20	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]N[5,6]HH)(CCHH)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]N[5,6]HH)(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]C)	104.6840	0.000	1	104.6840	0.000	1	107.5174	2.462	20	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(CH3)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	108.4170	0.000	1	108.4170	0.000	1	107.5174	2.462	20	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHH)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	107.5980	0.000	1	107.7880	0.072	2	107.5174	2.462	20	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHH)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHH)(H){1|O<1>,2|H<1>,3|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	107.9780	0.000	1	107.7880	0.072	2	107.5174	2.462	20	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHO)(H)	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHO)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|N<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]C)	106.6090	0.000	1	106.6090	0.000	1	107.5174	2.462	20	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHO)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	107.9105	0.350	2	107.9105	0.123	2	107.5174	2.462	20	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	108.6006	0.601	5	108.4669	0.641	10	107.5174	2.462	20	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,1|S<1>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	108.4860	0.000	1	108.4669	0.641	10	107.5174	2.462	20	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H){1|O<1>,2|H<1>,3|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	108.2950	1.171	4	108.4669	0.641	10	107.5174	2.462	20	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6,6]-4:C[6]-4:N-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(NH3)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]HN)(H)2	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(NH3)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]HN)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]N)	107.8260	0.000	1	107.8260	0.000	1	107.8260	0.000	1	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6,6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6,6]C[6]3)(CH3)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6]C[5a,6]HH)(C[6,6]C[6]3)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,2|N<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]CH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]C)	106.7245	0.704	2	106.7245	0.495	2	106.7245	0.495	2	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:B-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(BO3)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]BH)(H)2	H(C[6]C[6]2B)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(BO3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]BH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2B)	107.2877	0.511	3	107.2877	0.261	3	107.2877	0.261	3	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(CCCH)(H)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(CCCH)(H){1|H<1>,1|N<2>,2|C<4>}	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2C)	106.9540	0.000	1	106.9540	0.000	1	107.8788	0.415	22	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(H)2{1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.2710	0.000	1	107.2710	0.000	1	107.8788	0.415	22	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.9020	0.000	1	107.9020	0.000	1	107.8788	0.415	22	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<2>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.1890	0.016	3	108.0203	0.114	4	107.8788	0.415	22	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<2>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.5140	0.000	1	108.0203	0.114	4	107.8788	0.415	22	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6]2C)	107.5295	0.093	2	107.5295	0.009	2	107.8788	0.415	22	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.7630	0.428	4	108.7630	0.183	4	107.8788	0.415	22	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CCHO)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CCHO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.6530	0.000	1	106.6530	0.000	1	107.8788	0.415	22	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]CC)(CCHH)(H)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]O[6]CC)(CCHH)(H){1|C<3>,1|C<4>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,5|C<4>}	H(C[6]C[6]2C)	107.0760	0.363	2	107.0760	0.132	2	107.8788	0.415	22	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(CH3)(H)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)2(CH3)(H){1|H<1>,1|N<2>,2|C<4>}	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	108.0245	0.095	2	108.0245	0.009	2	107.8788	0.415	22	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HH)(CH3)(H){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2C)	108.0400	0.146	4	108.0400	0.021	4	107.8788	0.415	22	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]CH)(CH3)(H)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]CH)(CH3)(H){2|C<3>,2|O<2>}	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6]2C)	107.4930	0.000	1	107.4930	0.000	1	107.2398	1.326	12	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CH)(H)2{1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6]2C)	108.1430	0.000	1	108.1430	0.000	1	107.2398	1.326	12	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CHHN)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CHHN)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.4690	0.000	1	107.4690	0.000	1	107.2398	1.326	12	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CHHO)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CHHO)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.0820	0.000	1	108.0820	0.000	1	107.2398	1.326	12	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]ClC)(CCHH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]HH)(C[6]C[6]ClC)(CCHH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(H)2{1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2C)	105.9210	0.000	1	105.9210	0.000	1	107.2398	1.326	12	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	106.6280	0.000	1	106.6280	0.000	1	107.2398	1.326	12	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	107.4830	0.000	1	107.4830	0.000	1	107.2398	1.326	12	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	105.4375	0.622	2	105.4375	0.386	2	107.2398	1.326	12	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CHHN)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CHHN)(H){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.2620	0.868	2	108.2620	0.754	2	107.2398	1.326	12	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HN)(CH3)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HN)(CH3)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6]2C)	108.2600	0.000	1	108.2600	0.000	1	107.2398	1.326	12	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2C)	107.7490	0.348	2	107.0120	0.767	4	107.4351	0.404	17	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.2750	0.088	2	107.0120	0.767	4	107.4351	0.404	17	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[6]2C)	107.4930	0.000	1	107.1585	0.224	2	107.4351	0.404	17	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[6]2C)	106.8240	0.000	1	107.1585	0.224	2	107.4351	0.404	17	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]CH)(H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.0205	0.457	2	107.0205	0.209	2	107.4351	0.404	17	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.8980	0.000	1	107.9797	0.010	3	107.4351	0.404	17	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.0205	0.100	2	107.9797	0.010	3	107.4351	0.404	17	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,2|O<2>,3|C<4>}	H(C[6]C[6]2C)	107.4713	0.513	3	107.5228	0.142	5	107.4351	0.404	17	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2C)	107.7040	0.000	1	107.5228	0.142	5	107.4351	0.404	17	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2C)	107.4960	0.000	1	107.5228	0.142	5	107.4351	0.404	17	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(CH3)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(CH3)(H){2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2C)	108.4380	0.000	1	108.4380	0.000	1	107.4351	0.404	17	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(CH3)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(CH3)(H){2|C<3>,2|O<2>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.3790	0.000	1	107.3790	0.000	1	108.1307	4.935	29	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6]2C)	107.9110	0.000	1	107.9110	0.000	1	108.1307	4.935	29	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC3)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2C)	106.8530	0.000	1	106.8530	0.000	1	108.1307	4.935	29	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	109.9230	1.624	3	109.0281	1.644	7	108.1307	4.935	29	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.3570	0.358	4	109.0281	1.644	7	108.1307	4.935	29	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6a]N[6a,6a]C[6,6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6,6a]N[6a,6a]C[6,6a])(C[6]C[6]CH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]2C)	108.4110	0.000	1	108.4110	0.000	1	108.1307	4.935	29	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CHHN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CHHN)(H){2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	105.7365	1.719	2	105.7365	2.955	2	108.1307	4.935	29	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(CCCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(CCCO)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2C)	110.5050	0.000	1	110.5050	0.000	1	108.1307	4.935	29	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]MoH)(CC3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]C[6]MoH)(CC3)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|Mo<7>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	106.8790	0.000	1	106.8790	0.000	1	108.1307	4.935	29	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6,6a]CH)(CCHH)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]N[6,6a]CH)(CCHH)(H){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|N<3>}	H(C[6]C[6]2C)	117.1690	0.000	1	117.1690	0.000	1	108.1307	4.935	29	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CCCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CCCH)(H){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.7360	0.000	1	108.7360	0.000	1	108.1307	4.935	29	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CCCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CCCH)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2C)	106.3870	0.000	1	106.3870	0.000	1	108.1307	4.935	29	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CCHH)(H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6]2C)	107.6545	0.114	2	107.6545	0.013	2	108.1307	4.935	29	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6]2C)	107.4860	0.158	2	107.4860	0.025	2	108.1307	4.935	29	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CC[5]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CC[5]CH)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2C)	107.3400	0.000	1	107.3400	0.000	1	108.1307	4.935	29	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CO)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CO)(CCHH)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|O<2>}	H(C[6]C[6]2C)	107.2260	0.000	1	107.2260	0.000	1	108.1307	4.935	29	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]HO)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]O[6]HO)(CCHH)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|O<2>}	H(C[6]C[6]2C)	108.2595	0.606	2	108.2595	0.367	2	108.1307	4.935	29	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(CC[6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(CC[6a]HH)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]2C)	107.4300	0.000	1	107.4300	0.000	1	108.1307	4.935	29	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(CCCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(CCCO)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2C)	105.2420	0.000	1	105.2420	0.000	1	108.1307	4.935	29	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(CCCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(CCCH)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	H(C[6]C[6]2C)	106.8510	0.000	1	106.8510	0.000	1	108.1307	4.935	29	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	108.6390	0.000	1	108.6390	0.000	1	107.8491	0.924	59	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2C)	107.3680	0.000	1	107.3680	0.000	1	107.8491	0.924	59	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(H){1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.3040	0.000	1	108.3040	0.000	1	107.8491	0.924	59	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.3380	0.598	2	108.3380	0.358	2	107.8491	0.924	59	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,5,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[5,5,6]O)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	108.9633	0.755	6	108.9633	0.569	6	107.8491	0.924	59	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6,6]O)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.8200	0.000	1	107.8200	0.000	1	107.8491	0.924	59	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.8830	0.000	1	107.9670	0.312	10	107.8491	0.924	59	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.5570	0.243	2	107.9670	0.312	10	107.8491	0.924	59	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.4340	0.000	1	107.9670	0.312	10	107.8491	0.924	59	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	106.7440	0.000	1	107.9670	0.312	10	107.8491	0.924	59	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	108.2990	0.185	5	107.9670	0.312	10	107.8491	0.924	59	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<3>}	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2C)	107.4790	0.000	1	107.4790	0.000	1	107.8491	0.924	59	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[5a,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]N[5a,6]O)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2C)	105.4470	0.561	2	105.4470	0.315	2	107.8491	0.924	59	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6]C[6,6]N)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H){1|H<1>,1|N<2>,2|C<4>}	C[6](C[6]C[6,6]N)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2C)	105.0010	0.000	1	105.0010	0.000	1	107.8491	0.924	59	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2C)	106.1250	0.000	1	106.1250	0.000	1	107.8491	0.924	59	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2C)	107.5550	0.000	1	107.5953	0.167	3	107.8491	0.924	59	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2{4|C<4>}	H(C[6]C[6]2C)	107.6155	0.576	2	107.5953	0.167	3	107.8491	0.924	59	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2C)	106.9640	0.000	1	106.9640	0.000	1	107.8491	0.924	59	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]N[6,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]CH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.7810	0.000	1	107.7810	0.000	1	107.8491	0.924	59	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.5390	0.000	1	107.5390	0.000	1	107.8491	0.924	59	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	107.5870	0.000	1	107.5870	0.000	1	107.8491	0.924	59	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC3)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.5390	0.000	1	106.5390	0.000	1	107.8491	0.924	59	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.3180	0.000	1	108.3180	0.000	1	107.8491	0.924	59	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.7937	0.532	3	107.3998	0.565	6	107.8491	0.924	59	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.0060	0.167	3	107.3998	0.565	6	107.8491	0.924	59	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2C)	106.7940	0.000	1	106.7940	0.000	1	107.8491	0.924	59	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2C)	108.5280	0.000	1	108.5280	0.000	1	107.8491	0.924	59	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.4080	0.000	1	108.3790	0.086	5	107.8491	0.924	59	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.3718	0.339	4	108.3790	0.086	5	107.8491	0.924	59	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CHHO)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2C)	108.9640	0.000	1	108.9640	0.000	1	107.8491	0.924	59	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	108.2846	0.486	5	108.2846	0.237	5	107.8491	0.924	59	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H){1|C<4>,1|O<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2C)	108.0265	0.837	2	108.0265	0.700	2	107.8491	0.924	59	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.2900	0.000	1	107.2900	0.000	1	107.8491	0.924	59	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<3>}	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2C)	108.4830	0.000	1	108.4830	0.000	1	107.8491	0.924	59	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[4,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>}	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]CH)(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.3420	0.000	1	108.3420	0.000	1	108.3420	0.000	1	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]HH)(CH3)(H)	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]HH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.4340	0.000	1	107.4340	0.000	1	107.0390	1.052	7	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]HH)(CCCH)(H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]HH)(CCCH)(H){4|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2{1|H<1>,1|N<2>,1|S<2>,3|C<3>}	H(C[6]C[6]2C)	106.9300	0.000	1	107.1035	0.060	2	107.0390	1.052	7	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]HH)(CCCH)(H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]HH)(CCCH)(H){5|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,1|S<2>,3|C<3>}	H(C[6]C[6]2C)	107.2770	0.000	1	107.1035	0.060	2	107.0390	1.052	7	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2C)	105.2820	0.000	1	105.2820	0.000	1	107.0390	1.052	7	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HN)(CCHH)(H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[5,6]HH)(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6]2C)	108.5690	0.000	1	108.5690	0.000	1	107.0390	1.052	7	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.4460	0.000	1	106.8905	0.617	2	107.0390	1.052	7	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.3350	0.000	1	106.8905	0.617	2	107.0390	1.052	7	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]2C)	108.4040	0.000	1	108.4040	0.000	1	108.4040	0.000	1	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(CC[6a]HH)(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(CC[6a]HH)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2C)	108.4620	0.000	1	108.4620	0.000	1	108.1227	0.479	17	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]HH)(CH3)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.7750	0.891	3	108.7750	0.794	3	108.1227	0.479	17	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCHH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCHH)(H){2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2C)	107.8350	0.076	2	107.5727	0.209	3	108.1227	0.479	17	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCHH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCHH)(H){2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.0480	0.000	1	107.5727	0.209	3	108.1227	0.479	17	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CCHH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CCHH)(H){2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.6895	0.076	2	107.6895	0.006	2	108.1227	0.479	17	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.1260	0.000	1	108.0280	0.357	7	108.1227	0.479	17	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|N<4>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.6630	0.000	1	108.0280	0.357	7	108.1227	0.479	17	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.7760	0.000	2	108.0280	0.357	7	108.1227	0.479	17	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2C)	107.6183	0.432	3	108.0280	0.357	7	108.1227	0.479	17	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)2(CCHH)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[6,6]HH)2(CCHH)(H){4|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2{1|N<4>,2|C<4>,5|H<1>}	H(C[6]C[6]2C)	109.0060	0.000	1	109.0060	0.000	1	108.1227	0.479	17	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](N[6]C[5,6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](N[6]C[5,6]C)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.2760	0.000	1	108.2760	0.000	1	107.9554	2.581	11	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CHHO)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CHHO)(H){1|C<3>,1|O<2>,2|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	109.2165	2.777	2	109.2165	7.711	2	107.9554	2.581	11	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CCCH)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CCCH)(H){3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2C)	104.1700	0.000	1	104.1700	0.000	1	107.9554	2.581	11	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCHH)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.8550	0.000	1	107.8550	0.000	1	107.9554	2.581	11	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](N[6]C[5,6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5,6]C)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.7140	0.000	1	107.7140	0.000	1	107.9554	2.581	11	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<4>,3|H<1>}	C[6](N[6]C[5,6]H)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.3060	0.000	1	108.3060	0.000	1	107.9554	2.581	11	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2{1|C<4>,2|N<2>,4|H<1>}	H(C[6]C[6]2C)	108.3220	0.000	1	108.1703	0.036	3	107.9554	2.581	11	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2C)	108.0945	0.194	2	108.1703	0.036	3	107.9554	2.581	11	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(CH3)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(CH3)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2C)	108.2440	0.000	1	108.2440	0.000	1	107.9554	2.581	11	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]S[6]2)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[6]N[5,6]O)(C[6]C[6]2H)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6a]S[6]2)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]N[5,6]O)(C[6]C[6]2H)(H)2{1|C<3>,2|C<4>,2|H<1>,2|S<2>}	H(C[6]C[6]3)	106.8810	0.000	2	106.8810	0.000	2	106.8810	0.000	2	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCHH)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCHH)(H){2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2N)	107.9890	0.000	1	107.9890	0.000	1	107.9890	0.000	1	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(NCHH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(NCHH)(H){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2N)	108.0787	0.301	4	108.0787	0.090	4	108.0787	0.090	4	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC3)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2N)	106.2770	0.000	1	106.2770	0.000	1	106.2770	0.000	1	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(NH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(NH3)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2N)	112.5780	0.000	1	112.5780	0.000	1	110.0180	4.917	3	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]S[6]HH)(NH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]HH)(C[6]S[6]HH)(NH3)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|S<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2N)	108.7380	0.065	2	108.7380	0.004	2	110.0180	4.917	3	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NH3)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2N)	108.0500	0.000	1	108.0500	0.000	1	108.0500	0.000	1	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(N[5]C[5]2C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N[5]H)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(N[5]C[5]2C)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N[5]H)(H)2{3|H<1>,7|C<4>}	H(C[6]C[6]2N[5])	107.3540	0.000	1	107.3540	0.000	1	107.3540	0.000	1	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6]HH)(SC[6a]OO)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6]HH)(SC[6a]OO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HS)(H)2{1|C<3>,1|O<2>,5|C<4>}	H(C[6]C[6]2S)	108.0050	0.000	1	108.0050	0.000	1	108.0050	0.000	1	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6,6a]-3:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]FH)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(F)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6,6a]FH)(C[6]C[6]HH)(SC[6a]OO)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(F)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2S)	108.0250	0.000	1	108.0250	0.000	1	108.0250	0.000	1	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6]C[6,6a]C)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H){5|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]HS)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2S)	106.6928	0.519	5	106.6928	0.269	5	106.6928	0.269	5	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]HH)(SC[6a]OO)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]HH)(SC[6a]OO)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HS)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2S)	109.4110	0.000	1	109.4110	0.000	1	109.4110	0.000	1	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:Si-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(SiCCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SiH)(H)2	H(C[6]C[6]2Si)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(SiCCH)(H){1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SiH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2Si)	107.5915	0.400	2	107.5915	0.160	2	107.5915	0.160	2	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:Si-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(SiCCH)(H)	C[6](N[6]C[6,6a]S)(C[6]C[6]SiH)(H)2	H(C[6]C[6]2Si)	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(SiCCH)(H){1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]S)(C[6]C[6]SiH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2Si)	106.2570	0.000	1	106.2570	0.000	1	107.1627	0.712	3	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:Si-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(SiCCH)(H)	C[6](N[6]C[6,6a]S)(C[6]C[6]SiH)(H)2	H(C[6]C[6]2Si)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(SiCCH)(H){1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]S)(C[6]C[6]SiH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2Si)	107.6155	0.439	2	107.6155	0.193	2	107.1627	0.712	3	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]CC)(CHHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6]CC)(CHHO)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]N[6]C)	106.1400	0.000	1	106.1400	0.000	1	108.1957	3.211	3	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	109.2235	0.289	2	109.2235	0.084	2	108.1957	3.211	3	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]C)	107.6677	1.167	3	108.6873	0.970	13	108.6873	0.970	13	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]C)	108.9932	0.735	10	108.6873	0.970	13	108.6873	0.970	13	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:1:1:	4:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6,6]O)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]N[6,6]O)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	109.4000	0.000	1	109.4000	0.000	1	109.4000	0.000	1	107.7944	1.547	273	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[5a,6]HO)(C[6]C[6]HH)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5]C[6]H)(OH)(H)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[5a,6]HO)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5]C[6]H)(OH)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[5]C[6]2)	108.2320	0.000	1	108.2320	0.000	1	108.2320	0.000	1	107.8377	0.787	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6,6a]HO)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(OH)(H)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6,6a]HO)(C[6]C[6]HH)(H){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(OH)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[5]C[6]2)	107.6920	0.174	2	107.6920	0.030	2	107.6920	0.030	2	107.8377	0.787	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(OC)(H){1|C<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2C)	107.4820	0.000	1	107.4820	0.000	1	106.6830	1.277	2	107.8377	0.787	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2C)	105.8840	0.000	1	105.8840	0.000	1	106.6830	1.277	2	107.8377	0.787	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NS)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NS)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.7120	0.000	1	108.7120	0.000	1	108.7120	0.000	1	107.8377	0.787	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]BrH)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HO)(C[6]C[6]BrH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.2140	0.615	2	108.2140	0.378	2	108.2990	0.266	5	107.8377	0.787	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CHHO)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){3|C<3>,3|H<1>}	H(C[6]C[6]2C)	109.0170	0.000	1	109.0170	0.000	1	108.2990	0.266	5	107.8377	0.787	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CHOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CHOO)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.0730	0.000	1	108.0730	0.000	1	108.2990	0.266	5	107.8377	0.787	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]O[6]HH)(CC[6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HO)(C[6]O[6]HH)(CC[6a]HH)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2C)	107.9770	0.000	1	107.9770	0.000	1	108.2990	0.266	5	107.8377	0.787	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CO)(C[6]C[6]HO)(CH3)(H){1|O<1>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2C)	107.8375	0.070	2	107.8375	0.005	2	108.1972	0.436	5	107.8377	0.787	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(OC)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.0480	0.634	2	108.0480	0.401	2	108.1972	0.436	5	107.8377	0.787	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(OH)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2C)	109.2150	0.000	1	109.2150	0.000	1	108.1972	0.436	5	107.8377	0.787	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[5,6]C[6])(C[6]C[6]CH)(O[6]C[6])(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]CH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6]2C)	108.7410	0.369	2	108.7410	0.136	2	108.7410	0.136	2	107.8377	0.787	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]HH)(CCCH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[5,6])(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]HH)(CCCH)(H){4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[5,6])(H){1|N<3>,1|S<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2C)	106.9090	0.000	1	106.9090	0.000	1	107.0215	0.025	2	107.8377	0.787	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]HN)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[5,6])(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]HN)(CH3)(H){4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[5,6])(H){1|S<2>,2|C<3>,2|N<3>,3|H<1>}	H(C[6]C[6]2C)	107.1340	0.000	1	107.1340	0.000	1	107.0215	0.025	2	107.8377	0.787	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]O[6]H)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]O[6]H)(CH3)(H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6]2C)	107.9340	0.000	2	107.9340	0.000	2	108.1007	0.620	20	107.8377	0.787	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]O[6]H)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]O[6]H)(CH3)(H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.8745	0.322	2	108.8745	0.104	2	108.1007	0.620	20	107.8377	0.787	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CC)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]N[6])(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CC)(CH3)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]N[6])(H){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2C)	107.3625	0.931	2	107.3625	0.867	2	108.1007	0.620	20	107.8377	0.787	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CCCN)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CCCN)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.5090	0.000	1	107.5090	0.000	1	108.1007	0.620	20	107.8377	0.787	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CF3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CF3)(H){2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2C)	108.9965	0.333	2	108.9965	0.111	2	108.1007	0.620	20	107.8377	0.787	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.4108	0.146	4	108.4108	0.021	4	108.1007	0.620	20	107.8377	0.787	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	109.3110	0.000	1	107.9958	0.698	6	108.1007	0.620	20	107.8377	0.787	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6]2C)	107.4742	0.162	4	107.9958	0.698	6	108.1007	0.620	20	107.8377	0.787	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2C)	108.7670	0.000	1	107.9958	0.698	6	108.1007	0.620	20	107.8377	0.787	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]N[6]HH)(CBrHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]O[6]H)(C[6]N[6]HH)(CBrHH)(H){3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|N<2>,3|C<3>,4|H<1>}	H(C[6]C[6]2C)	106.5520	0.000	1	106.5520	0.000	1	108.1007	0.620	20	107.8377	0.787	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N[6]H)(C[6]C[6]N[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]S[6])(H)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]N[6]H)(C[6]C[6]N[6]H)(C[6]C[6]HH)(H){1|S<4>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]S[6])(H){1|N<4>,1|O<2>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	H(C[6]C[6]3)	105.7560	0.000	1	105.7560	0.000	1	105.7560	0.000	1	107.8377	0.787	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(NH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(NH3)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2N)	108.6110	0.000	1	108.6110	0.000	1	108.6110	0.000	1	107.8377	0.787	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(NH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(NH3)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H){1|F<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.7550	0.000	1	108.7550	0.000	1	108.7550	0.000	1	107.8377	0.787	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(PO3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(OH)(H)	H(C[6]C[6]2P)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(PO3)(H){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2P)	105.6580	0.000	1	105.6580	0.000	1	106.8625	2.902	2	107.8377	0.787	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(PC[6a]CO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(OH)(H)	H(C[6]C[6]2P)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(PC[6a]CO)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2P)	108.0670	0.000	1	108.0670	0.000	1	106.8625	2.902	2	107.8377	0.787	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]O[6]CH)(SC[6a]OO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(OH)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6,6a]HO)(C[6]O[6]CH)(SC[6a]OO)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2S)	107.1605	0.257	2	107.1605	0.066	2	107.1605	0.066	2	107.8377	0.787	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(SC[6a]OO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(O[6]C[6,6])(H)	H(C[6]C[6]2S)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(SC[6a]OO)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(O[6]C[6,6])(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2S)	107.0810	0.227	4	107.0810	0.051	4	107.1268	0.049	5	107.8377	0.787	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(O[6]C[6])(H)	H(C[6]C[6]2S)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(SC[6a]OO)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(O[6]C[6])(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2S)	107.3100	0.000	1	107.3100	0.000	1	107.1268	0.049	5	107.8377	0.787	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:2:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6]CH)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]P[6])(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]CH)(CH3)(H){1|P<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]P[6])(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	H(C[6]C[6]N[6]C)	106.8820	0.000	1	106.8820	0.000	1	106.8820	0.000	1	107.8377	0.787	53	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:2:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:C-2:C-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CC)(CCHH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(CN)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CC)(CCHH)(H){1|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(CN)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]2C)	108.5210	0.000	1	108.5210	0.000	1	108.5210	0.000	1	107.2766	1.392	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:2:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:	C[6](C[6]C[5a]O[6]O)(C[6]C[6]CH)(CCHO)(H)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]CH)(O[6]C[6])(OC)	H(C[6]C[6]2C)	C[6](C[6]C[5a]O[6]O)(C[6]C[6]CH)(CCHO)(H){1|C<4>,1|N<2>,1|S<2>,2|H<1>}	C[6](C[5a]N[5a]S[5a])(C[6]C[6]CH)(O[6]C[6])(OC){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	105.9040	0.047	2	105.9040	0.002	2	105.9040	0.002	2	107.2766	1.392	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:2:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:	C[6](C[6]C[6a]O[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(ONi)	H(C[6]C[6]2C)	C[6](C[6]C[6a]O[6]O)(C[6]C[6]HH)(CH3)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(ONi){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.4060	0.000	1	108.4060	0.000	1	108.4060	0.000	1	107.2766	1.392	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:2:2:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:S[6]-2:S[6]-2:	C[6]-4:	C[6](C[6]C[6a]S[6]2)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]2H)(S[6]C[6])2	H(C[6]C[6]3)	C[6](C[6]C[6a]S[6]2)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]2H)(S[6]C[6])2{10|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]3)	106.8660	0.000	2	106.8660	0.000	2	106.8660	0.000	2	107.2766	1.392	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:2:2:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:	C[6](C[6]C[6a]O[6]O)(N[6]C[6]HH)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(OH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]O[6]O)(N[6]C[6]HH)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(OH){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]N[6]C)	108.4690	0.000	1	108.4690	0.000	1	108.4690	0.000	1	107.2766	1.392	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HN)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(NHS)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HN)(CH3)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(NHS)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]C)	107.1730	0.000	1	107.1730	0.000	1	107.1730	0.000	1	107.3537	2.154	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[6,6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]2)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(N[6]C[6]2)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]2)(CCHH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(N[6]C[6]2)(H){2|C<4>,2|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]C)	107.5110	0.000	1	107.5110	0.000	1	107.5110	0.000	1	107.3537	2.154	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:B-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(BC[5]HH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]BH)(C[6]C[6]C)(H)	H(C[6]C[6]2B)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(BC[5]HH)(H){1|C<4>,1|S<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]BH)(C[6]C[6]C)(H){1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[6]2B)	108.3970	0.000	1	108.3970	0.000	1	108.3970	0.000	1	107.3537	2.154	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CHHO)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)(NHS)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CHHO)(H){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)(NHS)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2C)	103.9520	0.000	1	103.9520	0.000	1	105.9270	7.801	2	107.3537	2.154	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CHHO)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(NHS)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(NHS)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.9020	0.000	1	107.9020	0.000	1	105.9270	7.801	2	107.3537	2.154	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(CCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]CH)(C[6]C[6]CC)(CCHH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(CCH)(H){1|C<4>,5|C<3>}	H(C[6]C[6]2C)	105.8430	0.703	2	105.8430	0.494	2	105.8430	0.494	2	107.3537	2.154	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NCH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	106.3910	0.000	1	106.3910	0.000	1	108.0970	6.960	4	107.3537	2.154	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CHHO)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	109.5865	3.451	2	109.5865	11.912	2	108.0970	6.960	4	107.3537	2.154	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CHHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CHHO)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H){1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	106.8240	0.000	1	106.8240	0.000	1	108.0970	6.960	4	107.3537	2.154	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(COO)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.0950	0.000	1	108.0950	0.000	1	107.8123	0.069	3	107.3537	2.154	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CH3)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CCO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CCO)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]2C)	107.7680	0.000	1	107.7680	0.000	1	107.8123	0.069	3	107.3537	2.154	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CH3)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]O)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]O)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]2C)	107.5740	0.000	1	107.5740	0.000	1	107.8123	0.069	3	107.3537	2.154	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2C)	107.7945	0.206	2	107.7945	0.042	2	107.3697	0.558	7	107.3537	2.154	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)(H){3|C<3>,5|H<1>}	H(C[6]C[6]2C)	107.7710	0.000	1	107.7710	0.000	1	107.3697	0.558	7	107.3537	2.154	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHHO)(H){2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2C)	106.8120	0.000	1	106.8120	0.000	1	107.3697	0.558	7	107.3537	2.154	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CH3)(H){1|H<1>,1|S<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]2C)	107.3740	0.000	1	107.3740	0.000	1	107.3697	0.558	7	107.3537	2.154	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CH3)(H){1|C<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){2|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.0770	0.000	1	108.0770	0.000	1	107.3697	0.558	7	107.3537	2.154	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CSi2H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CSi2H)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){2|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	105.9650	0.000	1	105.9650	0.000	1	107.3697	0.558	7	107.3537	2.154	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(CC3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(CC3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2C)	104.6950	0.000	1	104.6950	0.000	1	107.5317	1.416	19	107.3537	2.154	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2C)	104.8450	0.000	1	104.8450	0.000	1	107.5317	1.416	19	107.3537	2.154	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2C)	107.0390	0.000	1	107.0390	0.000	1	107.5317	1.416	19	107.3537	2.154	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2C)	108.4930	0.000	1	108.4930	0.000	1	107.5317	1.416	19	107.3537	2.154	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2C)	107.8470	0.000	1	107.8470	0.000	1	107.5317	1.416	19	107.3537	2.154	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2C)	107.6675	0.467	2	107.9317	0.355	7	107.5317	1.416	19	107.3537	2.154	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2C)	107.9765	0.739	4	107.9317	0.355	7	107.5317	1.416	19	107.3537	2.154	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2C)	108.2810	0.000	1	107.9317	0.355	7	107.5317	1.416	19	107.3537	2.154	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2C)	108.0640	0.194	2	108.0640	0.038	2	107.5317	1.416	19	107.3537	2.154	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]O[6]H)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]O[6]H)(CH3)(H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|I<1>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	108.9170	0.252	2	108.9170	0.063	2	107.5317	1.416	19	107.3537	2.154	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CH)(CC[6a]HH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CH)(CC[6a]HH)(H){2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6]2C)	106.9000	0.065	3	106.9000	0.004	3	107.5317	1.416	19	107.3537	2.154	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]HN)(CH3)(H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(NCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]HN)(CH3)(H){4|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(NCH)(H){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	H(C[6]C[6]2C)	107.1860	0.000	1	107.1860	0.000	1	107.1860	0.000	1	107.3537	2.154	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C[5]-4:H-1:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[4,6]C[6a]H)(C[6]N[5,6]C[6a]H)(C[5]C[5]N[5]H)(H)	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H)	H(C[6]C[5]C[6]2)	C[6](C[6]C[4,6]C[6a]H)(C[6]N[5,6]C[6a]H)(C[5]C[5]N[5]H)(H){2|H<1>,3|C<4>,8|C<3>}	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,3|C<4>,4|H<1>,6|C<3>}	H(C[6]C[5]C[6]2)	106.3760	0.000	1	106.3760	0.000	1	106.3760	0.000	1	107.3537	2.154	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]H)(H)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]H)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6]3)	106.4340	0.000	1	106.4340	0.000	1	106.4340	0.000	1	107.3537	2.154	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]C[6]C)(H)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]N[6]H)(C[6]C[6]HH)2(H){1|C<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]C[6]C)(H){2|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6]3)	106.1655	0.346	2	105.9913	0.151	3	105.9913	0.151	3	107.3537	2.154	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]C[6]C)(H)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]N[6]H)(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]C[6]C)(H){2|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6]3)	105.6430	0.000	1	105.9913	0.151	3	105.9913	0.151	3	107.3537	2.154	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(PC[6a]2O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(COO)(H)	H(C[6]C[6]2P)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(PC[6a]2O)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(COO)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2P)	109.2670	0.000	1	109.2670	0.000	1	109.2670	0.000	1	107.3537	2.154	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(SC[6a]OO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(SC[6a]OO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2S)	106.2020	0.000	1	106.2020	0.000	1	108.6383	9.652	3	107.3537	2.154	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(SC[6a]OO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2S)	107.5760	0.000	1	109.8565	10.401	2	108.6383	9.652	3	107.3537	2.154	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(SC[6a]OO)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2S)	112.1370	0.000	1	109.8565	10.401	2	108.6383	9.652	3	107.3537	2.154	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:N[3,6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(N[3,6]C[3,6]O[3]C)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[3,6]CH)(C[6a]C[6a]2)(H)	H(C[6]N[3,6]C[6]C)	C[6](C[6]C[6,6a]C[6a]H)(N[3,6]C[3,6]O[3]C)(CH3)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[3,6]CH)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[6]N[3,6]C[6]C)	104.6790	0.000	1	104.6790	0.000	1	104.6790	0.000	1	107.3537	2.154	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:3:1:	4:	S[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]CH)(CCCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]CH)(CCH)(H)	H(C[6]C[6]S[6]C)	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]CH)(CCCH)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]CH)(CCH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	H(C[6]C[6]S[6]C)	107.3770	0.086	3	107.3770	0.007	3	107.3770	0.007	3	107.3537	2.154	54	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]O[3])(C[6]C[3]C[6]H)(CC3)(H)	H(C[6]C[3]C[6]2)	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]O[3])(C[6]C[3]C[6]H)(CC3)(H){1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[3]C[6]2)	100.7320	0.000	1	100.7320	0.000	1	100.7320	0.000	1	106.7459	2.705	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]CH)(CHHO)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(CCCO)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]CH)(CHHO)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(CCCO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5,6]C[6]C)	107.4410	0.000	1	107.4410	0.000	1	106.5065	1.747	2	106.7459	2.705	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5a,6]CH)(CCHH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(CCHH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5a,6]CH)(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]C)	105.5720	0.000	1	105.5720	0.000	1	106.5065	1.747	2	106.7459	2.705	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]C[5,6]CH)(CCHH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]CH)(C[6]C[5,6]CH)(CCHH)(H){4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]2C)	105.8570	0.000	1	105.8570	0.000	1	105.8570	0.000	1	106.7459	2.705	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CCCO)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CCCO)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]2C)	106.9340	0.000	1	106.9340	0.000	1	106.9340	0.000	1	106.7459	2.705	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]CH)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.5250	0.000	1	107.5250	0.000	1	106.2618	1.052	9	106.7459	2.705	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2C)	106.5457	1.048	3	106.5457	1.098	3	106.2618	1.052	9	106.7459	2.705	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(H){1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2C)	105.8388	0.934	5	105.8388	0.872	5	106.2618	1.052	9	106.7459	2.705	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC3)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	106.5867	0.117	3	106.5867	0.014	3	107.3266	1.187	5	106.7459	2.705	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]NiH)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CNiHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]CH)(C[6]C[6]NiH)(CH3)(H){1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CNiHH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.9900	0.000	1	108.9900	0.000	1	107.3266	1.187	5	106.7459	2.705	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CCHH)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H){1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.8830	0.000	1	107.8830	0.000	1	107.3266	1.187	5	106.7459	2.705	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CHHO)(H)	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CHHO)(H){1|N<2>,1|O<1>,3|C<3>}	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2C)	107.3340	0.000	1	107.3340	0.000	1	107.8295	0.491	2	106.7459	2.705	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CH3)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	108.3250	0.000	1	108.3250	0.000	1	107.8295	0.491	2	106.7459	2.705	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(CH3)(H){1|H<1>,2|C<4>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	109.8410	0.000	1	109.8410	0.000	1	108.2225	1.350	25	106.7459	2.705	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HO)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HO)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.5000	0.000	1	108.5000	0.000	1	108.2225	1.350	25	106.7459	2.705	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(CH3)(H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	105.4660	0.000	1	105.4660	0.000	1	108.2225	1.350	25	106.7459	2.705	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(H){2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2C)	111.7990	0.000	1	111.7990	0.000	1	108.2225	1.350	25	106.7459	2.705	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2C)	106.7900	0.000	1	106.7900	0.000	1	108.2225	1.350	25	106.7459	2.705	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH)(H){1|N<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2C)	107.3840	0.000	1	107.3840	0.000	1	108.2225	1.350	25	106.7459	2.705	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(CH3)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6]2C)	107.5020	0.000	2	107.5020	0.000	2	108.2225	1.350	25	106.7459	2.705	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CH3)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[6]2C)	108.3260	0.000	1	108.3260	0.000	1	108.2225	1.350	25	106.7459	2.705	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CH3)(H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2C)	107.9770	0.000	1	107.9770	0.000	1	108.2225	1.350	25	106.7459	2.705	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[6]2C)	107.8880	0.000	1	108.3243	0.439	13	108.2225	1.350	25	106.7459	2.705	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2C)	108.5571	0.388	9	108.3243	0.439	13	108.2225	1.350	25	106.7459	2.705	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[6]2C)	106.6330	0.000	1	108.3243	0.439	13	108.2225	1.350	25	106.7459	2.705	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2C)	108.3405	0.722	2	108.3243	0.439	13	108.2225	1.350	25	106.7459	2.705	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(CH3)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[6]C[6]2C)	108.0040	0.000	1	108.0040	0.000	1	108.2225	1.350	25	106.7459	2.705	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(CHHO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(CHHO)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6]2C)	108.2560	0.000	1	108.2560	0.000	1	108.2225	1.350	25	106.7459	2.705	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2C)	108.0290	0.000	1	108.0290	0.000	1	108.0290	0.000	1	106.7459	2.705	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(CCCH)(H)	C[6](N[5]C[5]N[5])(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](N[5]C[5]N[5])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|Pd<4>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	105.1773	0.441	24	105.1773	0.194	24	105.1773	0.194	24	106.7459	2.705	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]N[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(CH3)(H){1|N<3>,2|C<3>,4|H<1>}	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]N[6]HH)(H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.9360	0.000	1	106.9360	0.000	1	106.9360	0.000	1	106.7459	2.705	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(CCHH)(H){2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2C)	106.5970	0.000	1	106.5970	0.000	1	106.5970	0.000	1	106.7459	2.705	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6,6a]CH)(CCHH)(H)	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]N[6,6a]CH)(CCHH)(H){3|C<3>}	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CH)(CH3)(H){3|C<3>,3|H<1>}	H(C[6]C[6]2C)	106.0100	0.000	1	106.0100	0.000	1	106.0100	0.000	1	106.7459	2.705	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	P[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](P[6]C[6,6a]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](P[6]C[6,6a]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	105.9730	0.000	1	105.9730	0.000	1	105.9730	0.000	1	106.7459	2.705	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]CO)(H)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)2(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]CO)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]3)	107.1750	0.000	1	107.1750	0.000	1	107.1750	0.000	1	106.7459	2.705	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	N[5,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]C[6]H)(C[6]C[6]HH)2(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6]3)	C[6](C[6]N[5,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6]3)	108.1490	0.000	2	108.1490	0.000	2	108.1490	0.000	2	106.7459	2.705	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]C[6]H)(C[6]C[6]HH)2(H)	C[6](N[6,6]C[6,6]S[6])(C[6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6]3)	C[6](C[6]N[6,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|S<4>,2|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]S[6])(C[6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|O<1>,5|H<1>}	H(C[6]C[6]3)	108.1050	0.000	1	108.1050	0.000	1	108.1050	0.000	1	106.7459	2.705	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(PO3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]HP)(H)	H(C[6]C[6]2P)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(PO3)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]HP)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2P)	107.3990	0.000	1	107.3990	0.000	1	107.3990	0.000	1	106.7459	2.705	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:Si-4:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(SiCCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SiH)(CH3)(H)	H(C[6]C[6]2Si)	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(SiCCH)(H){1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SiH)(CH3)(H){1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2Si)	106.3300	0.000	1	106.3300	0.000	1	106.3300	0.000	1	106.7459	2.705	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	Si[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](Si[6]C[6,6a]CC)(C[6]C[6,6a]CH)(CCHH)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]Si[6]CH)(CCHH)(H)	H(C[6]Si[6]C[6]C)	C[6](Si[6]C[6,6a]CC)(C[6]C[6,6a]CH)(CCHH)(H){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]Si[6]CH)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[6]Si[6]C[6]C)	108.0275	0.073	2	108.0275	0.005	2	108.0275	0.005	2	106.7459	2.705	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[5]C[5,5]C[5])(C[6]C[6]CH)2(OH)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5]C[5,5]C[5])(C[6]C[6]CH)2(OH){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.5810	0.000	1	106.5810	0.000	1	106.5810	0.000	1	107.4283	2.008	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[5a,6]CO)(C[6]C[6]FF)(CH3)(H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]CH)(CCHH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]CO)(C[6]C[6]FF)(CH3)(H){1|N<2>,1|N<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]CH)(CCHH)(OH){1|C<4>,2|C<3>,2|F<1>}	H(C[6]C[6]2C)	106.9650	0.000	1	106.9650	0.000	1	106.9650	0.000	1	107.4283	2.008	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]CO)(C[6]O[6]HH)(CHHN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2H)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]CO)(C[6]O[6]HH)(CHHN)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2H)(OH){1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.9685	0.303	2	107.9685	0.092	2	107.9685	0.092	2	107.4283	2.008	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(CHHN)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(CHHN)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2C)	107.0410	2.449	5	107.0410	6.000	5	107.4592	2.943	10	107.4283	2.008	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]O[6]H)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]O[6]H)(CH3)(H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(OH){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.0810	0.000	2	108.0810	0.000	2	107.4592	2.943	10	107.4283	2.008	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(CH3)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(OH){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2C)	108.3730	0.000	1	108.3730	0.000	1	107.4592	2.943	10	107.4283	2.008	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]O[6]CO)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]O)(C[6]O[6]CO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(OH){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.4260	0.000	2	107.4260	0.000	2	107.4592	2.943	10	107.4283	2.008	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HS)(OH)	H(C[6]C[6]2S)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(SC[6a]OO)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HS)(OH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2S)	107.3490	0.000	1	107.3490	0.000	1	107.3490	0.000	1	107.4283	2.008	15	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:3:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]N[6]HH)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(COO)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(C[6]N[6]HH)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(COO){1|N<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2C)	108.3895	0.224	2	108.3895	0.050	2	108.3895	0.050	2	108.3895	0.050	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]C[6]C)(CCHH)(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]C[6]C)(CCHH)(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5a]N[5a]O[5a])(C[6]C[6,6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	105.8440	0.000	1	105.8435	0.000	2	105.8435	0.000	2	105.3557	4.712	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]C[6]C)(CCHH)(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]C[6]C)(CCHH)(H){1|N<2>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[5a]N[5a]O[5a])(C[6]C[6,6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	105.8430	0.000	1	105.8435	0.000	2	105.8435	0.000	2	105.3557	4.712	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5]C[6]C)(C[6]C[6]HO)(CCHH)(H)	C[6](C[5]C[5]N[5])(C[6]C[6]CH)(C[6]C[6]HO)(CCHH)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]C)(C[6]C[6]HO)(CCHH)(H){1|N<2>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5]C[5]N[5])(C[6]C[6]CH)(C[6]C[6]HO)(CCHH){1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2C)	106.8670	0.000	1	106.8670	0.000	1	106.8670	0.000	1	105.3557	4.712	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CHHO)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CHHO){3|C<4>,4|H<1>}	H(C[6]C[6]2C)	103.1200	0.000	1	103.1200	0.000	1	105.8825	3.409	4	105.3557	4.712	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.7660	0.000	1	106.8730	0.023	2	105.8825	3.409	4	105.3557	4.712	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.9800	0.000	1	106.8730	0.023	2	105.8825	3.409	4	105.3557	4.712	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)2{1|C<2>,1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.6640	0.000	1	106.6640	0.000	1	105.8825	3.409	4	105.3557	4.712	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	102.9883	3.124	4	102.9883	9.758	4	102.9883	9.758	4	105.3557	4.712	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]CC)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2C)	106.0320	0.000	1	106.0320	0.000	1	106.3308	0.034	5	105.3557	4.712	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(CH3)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]C)(C[6]C[6]CH)(CCHH)(CH3){2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.4840	0.000	2	106.4840	0.000	2	106.3308	0.034	5	105.3557	4.712	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(CH3)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(CCHH)(CH3){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.3270	0.000	2	106.3270	0.000	2	106.3308	0.034	5	105.3557	4.712	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[4x6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[4x6]CH)(O[6]Si[6])(H)2	H(C[6]C[4x6]C[6]C)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]O[6]HH)(CH3)(H){1|Si<4>,1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[4x6]CH)(O[6]Si[6])(H)2{1|C<3>,4|C<4>}	H(C[6]C[4x6]C[6]C)	107.1510	0.000	1	107.2430	0.006	3	107.2430	0.006	3	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[4x6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[4x6]CH)(O[6]Si[6])(H)2	H(C[6]C[4x6]C[6]C)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]O[6]HH)(CH3)(H){1|Si<4>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[4x6]CH)(O[6]Si[6])(H)2{1|C<3>,4|C<4>}	H(C[6]C[4x6]C[6]C)	107.2890	0.000	2	107.2430	0.006	3	107.2430	0.006	3	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(O[6]C[6])(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]C)	107.9390	0.000	1	107.9390	0.000	1	107.4260	0.526	2	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(O[6]C[6])(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[5,6]CH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[6]C[5,6]C[6]C)	106.9130	0.000	1	106.9130	0.000	1	107.4260	0.526	2	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]S[6]HH)(CC[6]HO)(H)	C[6](C[6]C[5,6]CH)(S[6]C[6])(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[6]O[5]2)(C[6]S[6]HH)(CC[6]HO)(H){1|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(S[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]C)	105.5360	0.000	1	105.5360	0.000	1	106.4915	1.826	2	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]S[6]HH)(CHHO)(H)	C[6](C[6]C[5,6]CH)(S[6]C[6])(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[6]O[5]2)(C[6]S[6]HH)(CHHO)(H){1|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(S[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]C)	107.4470	0.000	1	107.4470	0.000	1	106.4915	1.826	2	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5,6]-4:C[6]-4:S-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]O[6]HH)(SC[6a]OO)(H)	C[6](C[6]C[5,6]HS)(O[6]C[5,6])(H)2	H(C[6]C[5,6]C[6]S)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]O[6]HH)(SC[6a]OO)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]HS)(O[6]C[5,6])(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]S)	107.4990	0.000	1	107.4990	0.000	1	107.4990	0.000	1	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6](C[6]C[5]C[6]H)(O[6]C[6])(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[5]C[6]H)(O[6]C[6])(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[5]C[6]2)	109.2430	0.000	1	108.4113	0.529	3	108.1495	0.627	4	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6](C[6]C[5]C[6]H)(O[6]C[6])(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|O<2>,3|H<1>,5|C<4>}	C[6](C[6]C[5]C[6]H)(O[6]C[6])(H)2{4|C<4>,4|H<1>}	H(C[6]C[5]C[6]2)	107.9955	0.144	2	108.4113	0.529	3	108.1495	0.627	4	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6]HO)(C[6]O[6]HH)(H)	C[6](C[6]C[5]C[6]H)(O[6]C[6])(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6]HO)(C[6]O[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[5]C[6]2)	107.3640	0.000	1	107.3640	0.000	1	108.1495	0.627	4	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[5]C[5,6]C[5]H)(C[6]O[6]HH)(H)	C[6](C[6]C[6,6]C[5]H)(O[6]C[6,6])(H)2	H(C[6]C[6,6]C[5]C[6])	C[6](C[6,6]C[6,6]O[6]H)(C[5]C[5,6]C[5]H)(C[6]O[6]HH)(H){1|C<3>,4|H<1>,5|C<4>}	C[6](C[6]C[6,6]C[5]H)(O[6]C[6,6])(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[5]C[6])	107.5290	0.000	1	107.5290	0.000	1	107.5290	0.000	1	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(O[6]C[3x6])(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HH)(CH3)(H){1|C<3>,1|O<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(O[6]C[3x6])(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]C)	107.6250	0.000	1	107.6250	0.000	1	107.1200	1.347	4	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]HH)(CC[6a]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6]C[6]C)	107.5270	0.000	1	107.5270	0.000	1	107.1200	1.347	4	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(O[6]S[6])(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]O[6]HH)(CH3)(H){1|C<4>,1|S<3>,2|C<3>}	C[6](C[6]C[6,6]CH)(O[6]S[6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]C)	106.6640	1.790	2	106.6640	3.206	2	107.1200	1.347	4	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]N[5]H)(C[6]O[6]HH)(H)	C[6](C[6]C[6,6]C[6]H)(O[6]C[6])(H)2	H(C[6]C[6,6]C[6]2)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]N[5]H)(C[6]O[6]HH)(H){3|C<3>,5|C<4>,6|H<1>}	C[6](C[6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|N<4>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]2)	104.4470	0.000	1	104.4470	0.000	1	104.4470	0.000	1	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6])(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6])(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.1930	0.000	1	107.1930	0.000	1	106.9050	0.166	2	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]N[6]HH)(CBrHH)(H)	C[6](C[6]C[6]CH)(N[6]C[6])(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]O[6]H)(C[6]N[6]HH)(CBrHH)(H){3|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2C)	106.6170	0.000	1	106.6170	0.000	1	106.9050	0.166	2	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]O[6]HH)(CH3)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.6270	0.000	1	108.6270	0.000	1	108.1368	0.497	49	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]O[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CO)(C[6]O[6]HH)(CCHH)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2C)	108.7680	0.000	1	108.7680	0.000	1	108.1368	0.497	49	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]N[6])(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]CH)(O[6]N[6])(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	107.5190	0.000	1	107.5190	0.000	1	108.1368	0.497	49	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[5,6])(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(O[6]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.1150	0.000	1	108.2954	0.156	28	108.1368	0.497	49	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[5,6])(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H){1|C<4>,1|F<1>,1|H<1>}	C[6](C[6]C[6]CH)(O[6]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.6350	0.000	1	108.2954	0.156	28	108.1368	0.497	49	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[5,6])(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H){1|C<4>,1|O<1>}	C[6](C[6]C[6]CH)(O[6]C[5,6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	107.9890	0.805	2	108.2954	0.156	28	108.1368	0.497	49	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[5,6])(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.3143	0.374	24	108.2954	0.156	28	108.1368	0.497	49	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	108.9350	0.000	1	108.1420	0.482	3	108.1368	0.497	49	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.8480	0.000	1	108.1420	0.482	3	108.1368	0.497	49	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H){2|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.6430	0.000	1	108.1420	0.482	3	108.1368	0.497	49	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]N[6])(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HN)(C[6]O[6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]CH)(O[6]N[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|S<4>}	H(C[6]C[6]2C)	109.5180	0.000	1	109.5180	0.000	1	108.1368	0.497	49	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CH3)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	108.8510	0.000	1	108.8510	0.000	1	108.1368	0.497	49	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HS)(C[6]O[6]HH)(CCHN)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HS)(C[6]O[6]HH)(CCHN)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|S<4>}	H(C[6]C[6]2C)	106.9545	1.812	2	106.9545	3.284	2	108.1368	0.497	49	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(CH3)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2C)	108.2420	0.000	1	108.2420	0.000	1	108.1368	0.497	49	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(CHHO)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(CHHO)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.3290	0.000	1	108.3290	0.000	1	108.1368	0.497	49	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CCHS)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]2C)	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CCHS)(H){1|C<4>,1|S<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	107.1280	0.000	1	107.1280	0.000	1	108.1368	0.497	49	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)2(CC[6a]3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]2C)	C[6](C[6]O[6]HH)2(CC[6a]3)(H){1|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	107.3060	0.048	2	107.1868	0.102	6	108.1368	0.497	49	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)2(CC[6a]3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]2C)	C[6](C[6]O[6]HH)2(CC[6a]3)(H){1|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.1273	0.394	4	107.1868	0.102	6	108.1368	0.497	49	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(O[6]P[6,6])(H)2	H(C[6]C[6]2C)	C[6](C[6]O[6]HH)2(CH3)(H){1|P<4>}	C[6](C[6]C[6]CH)(O[6]P[6,6])(H)2{1|O<2>,2|H<1>,2|N<2>}	H(C[6]C[6]2C)	108.9970	0.014	2	108.9970	0.000	2	108.1368	0.497	49	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]S[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(S[6]C[6])(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]S[6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(S[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.5490	0.000	1	107.5490	0.000	1	107.2578	2.886	6	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]S[6]HH)(CC[6]HO)(H)	C[6](C[6]C[6]CH)(S[6]C[6])(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]S[6]HH)(CC[6]HO)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(S[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	107.0900	0.000	1	107.0900	0.000	1	107.2578	2.886	6	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)2(CC3)(H)	C[6](C[6]C[6]CH)(S[6]C[6])(H)2	H(C[6]C[6]2C)	C[6](C[6]S[6]HH)2(CC3)(H){1|C<4>}	C[6](C[6]C[6]CH)(S[6]C[6])(H)2{1|C<3>,1|S<2>,3|H<1>}	H(C[6]C[6]2C)	106.8475	0.033	2	106.8475	0.001	2	107.2578	2.886	6	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(S[6]C[6])(H)2	H(C[6]C[6]2C)	C[6](C[6]S[6]HH)2(CCHH)(H){1|C<4>}	C[6](C[6]C[6]CH)(S[6]C[6])(H)2{1|C<3>,1|S<2>,3|H<1>}	H(C[6]C[6]2C)	107.6065	3.706	2	107.6065	13.734	2	107.2578	2.886	6	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(NH3)(H)	C[6](C[6]C[6]HN)(O[6]P[6])(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(NH3)(H){1|F<1>,1|H<1>,1|P<4>}	C[6](C[6]C[6]HN)(O[6]P[6])(H)2{1|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6]2N)	107.5440	0.000	2	107.5440	0.000	2	107.5440	0.000	2	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2Pt)(H)	C[6](C[6]C[6]HP)(C[6]C[6])(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2Pt)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6])(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	105.2220	0.000	1	105.2220	0.000	1	106.0550	1.388	2	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2Rh)(H)	C[6](C[6]C[6]HP)(C[6]C[6])(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2Rh)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6])(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.8880	0.000	1	106.8880	0.000	1	106.0550	1.388	2	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(PSeOO)(H)	C[6](C[6]C[6]HP)(O[6]C[6])(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(PSeOO)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HP)(O[6]C[6])(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.5540	0.000	1	107.5540	0.000	1	108.7010	2.631	2	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(PC[6a]2O)(H)	C[6](C[6]C[6]HP)(O[6]C[6])(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(PC[6a]2O)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HP)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2P)	109.8480	0.000	1	109.8480	0.000	1	108.7010	2.631	2	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]HH)(N[6]C[6]HH)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]C)	108.7000	0.000	1	108.7000	0.000	1	108.7000	0.000	1	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:S[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(S[6]C[6]NO)(CH3)(H)	C[6](C[6]S[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]S[6]C)	C[6](C[6]O[6]HH)(S[6]C[6]NO)(CH3)(H){1|C<4>,2|H<1>}	C[6](C[6]S[6]CH)(O[6]C[6])(H)2{1|H<1>,1|N<1>,1|O<1>,2|C<4>}	H(C[6]C[6]S[6]C)	108.8780	0.000	1	108.8780	0.000	1	108.8780	0.000	1	107.8115	1.072	83	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]O[6]HO)(CH3)(H)	C[6](C[6]C[5,6]CH)(O[6]C[6,6])(OC)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]O[6]HO)(CH3)(H){3|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(O[6]C[6,6])(OC)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.3575	0.026	2	107.3575	0.001	2	106.7533	1.095	3	107.6747	1.230	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:2:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(CH3)(H)	C[6](C[6]C[5,6]CH)(O[6]C[6])(OH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(CH3)(H){1|O<2>,3|C<4>}	C[6](C[6]C[5,6]CH)(O[6]C[6])(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]C)	105.5450	0.000	1	105.5450	0.000	1	106.7533	1.095	3	107.6747	1.230	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:2:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HN)(CH3)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(NN)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HN)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(NN)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	105.6630	0.000	1	105.6630	0.000	1	105.6630	0.000	1	107.6747	1.230	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:2:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H)	C[6](C[6]C[6,6]CH)(O[6]C[3x6])(OH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H){1|O<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(O[6]C[3x6])(OH)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]C)	107.5070	0.000	1	107.5070	0.000	1	106.5987	0.963	11	107.6747	1.230	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:2:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	105.8566	0.266	5	105.8566	0.071	5	106.5987	0.963	11	107.6747	1.230	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:2:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC[6])(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	106.5595	1.010	2	106.5595	1.021	2	106.5987	0.963	11	107.6747	1.230	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:2:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	106.4650	0.000	1	106.4650	0.000	1	106.5987	0.963	11	107.6747	1.230	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:2:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HO)(CC[6a]CH)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6])(OH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HO)(CC[6a]CH)(H){3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(O[6]C[6])(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.8040	0.000	1	107.8040	0.000	1	106.5987	0.963	11	107.6747	1.230	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:2:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HO)(CH3)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6])(OC)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]CH)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	108.4080	0.000	1	108.4080	0.000	1	106.5987	0.963	11	107.6747	1.230	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]2H)(H)	C[6](C[6]C[6,6]C[6]H)(O[6]C[6])2(H)	H(C[6]C[6,6]C[6]2)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]2H)(H){2|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[6,6]C[6]H)(O[6]C[6])2(H){4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]2)	106.8770	0.000	1	106.8770	0.000	1	106.8770	0.000	1	107.6747	1.230	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-2:H-1:	C[6]-4:	C[6](C[6]O[6]CC)(C[6]O[6]CH)(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CC)(H)	H(C[6]C[6]2C)	C[6](C[6]O[6]CC)(C[6]O[6]CH)(CCHH)(H){1|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6])(CC)(H){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2C)	107.3370	0.000	1	107.3370	0.000	1	107.3370	0.000	1	107.6747	1.230	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]C[5,6])(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(CCHH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[5,6])(OH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.4640	0.000	1	108.4640	0.000	1	107.7885	0.531	14	107.6747	1.230	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[5,6])(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(CH3)(H){1|C<4>,3|C<3>}	C[6](C[6]C[6]CH)(O[6]C[5,6])(OH)(H){1|H<1>,3|C<3>}	H(C[6]C[6]2C)	107.9780	0.040	2	107.9780	0.002	2	107.7885	0.531	14	107.6747	1.230	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(CH3)(H){2|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.4200	0.000	1	108.4200	0.000	1	107.7885	0.531	14	107.6747	1.230	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HO)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(CC[6a]CH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.9970	0.000	1	107.9970	0.000	1	107.7885	0.531	14	107.6747	1.230	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CBrHH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CBrHH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.1410	0.000	1	108.1410	0.000	1	107.7885	0.531	14	107.6747	1.230	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHN)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHN)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.3207	0.632	3	107.3207	0.399	3	107.7885	0.531	14	107.6747	1.230	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.1395	0.199	2	108.1395	0.039	2	107.7885	0.531	14	107.6747	1.230	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CHHN)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CHHN)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.9930	0.000	1	107.9930	0.000	1	107.7885	0.531	14	107.6747	1.230	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CH3)(H){1|C<2>,3|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6])(OH)(H){1|H<1>,3|C<3>}	H(C[6]C[6]2C)	108.0300	0.000	1	108.0300	0.000	1	107.7885	0.531	14	107.6747	1.230	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CSi2H)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CSi2H)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){1|H<1>,3|C<3>}	H(C[6]C[6]2C)	105.7970	0.000	1	105.7970	0.000	1	107.7885	0.531	14	107.6747	1.230	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(C[6]O[6]2H)(H)	C[6](C[6]C[6]2H)(O[6]C[6])2(H)	H(C[6]C[6]3)	C[6](C[6]C[6]HH)2(C[6]O[6]2H)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(O[6]C[6])2(H){1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6]3)	108.1830	0.000	1	109.4800	3.364	2	109.4800	3.364	2	107.6747	1.230	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(C[6]O[6]2H)(H)	C[6](C[6]C[6]2H)(O[6]C[6])2(H)	H(C[6]C[6]3)	C[6](C[6]C[6]HH)2(C[6]O[6]2H)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(O[6]C[6])2(H){1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6]3)	110.7770	0.000	1	109.4800	3.364	2	109.4800	3.364	2	107.6747	1.230	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NIrHH)(H)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NIrHH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	108.5665	0.524	2	108.5665	0.275	2	108.4167	0.143	16	107.6747	1.230	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NRhHH)(H)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NRhHH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	108.1792	0.303	6	108.1792	0.092	6	108.4167	0.143	16	107.6747	1.230	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HO)(NH3)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(OC[6])(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(NH3)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]HN)(O[6]C[6])(OC[6])(H){2|C<3>,2|H<1>}	H(C[6]C[6]2N)	108.5598	0.395	4	108.5598	0.156	4	108.4167	0.143	16	107.6747	1.230	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NH3)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NH3)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	108.4190	0.000	1	108.4190	0.000	1	108.4167	0.143	16	107.6747	1.230	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NPdHH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NPdHH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	108.3585	0.175	2	108.3585	0.031	2	108.4167	0.143	16	107.6747	1.230	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NPdHH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(OPd)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NPdHH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(OPd)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	109.0850	0.000	1	109.0850	0.000	1	108.4167	0.143	16	107.6747	1.230	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:O[6]-2:Se-2:H-1:	C[6]-4:	C[6](C[6]O[6]SeH)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6]C[6]HS)(O[6]C[6])(SeC)(H)	H(C[6]C[6]2S)	C[6](C[6]O[6]SeH)(C[6]C[6]HH)(SC[6a]OO)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HS)(O[6]C[6])(SeC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2S)	108.3470	0.000	1	108.3470	0.000	1	108.3470	0.000	1	107.6747	1.230	50	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O[6]-2:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O[6]H)(C[6]C[6]CO)(H)	C[6](C[6]C[6,6]C[6]H)(O[6]C[6,6])(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]2)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O[6]H)(C[6]C[6]CO)(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]C[6]H)(O[6]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]2)	104.0950	0.000	1	104.0950	0.000	1	104.0950	0.000	1	106.8060	1.619	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCCH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCCH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.9770	0.358	3	106.9770	0.129	3	107.2578	0.228	6	106.8060	1.619	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCFF)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCFF)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.2950	0.232	2	107.2950	0.054	2	107.2578	0.228	6	106.8060	1.619	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.0260	0.000	1	108.0260	0.000	1	107.2578	0.228	6	106.8060	1.619	7	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:3:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-3:O-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CO)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(COO)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]O[6]CO)(CH3)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(COO)(OH){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.6330	0.000	1	107.6330	0.000	1	107.6330	0.000	1	107.6330	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[5,6]CH)(O[6]C[5,6])(CC[6]CH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]O[5,6]C[5]H)(C[6]O[6]CH)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(O[6]C[5,6])(CC[6]CH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]C)	107.4450	0.000	1	107.4450	0.000	1	107.4450	0.000	1	107.9328	0.981	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(CCCH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]CH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(CCCH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	107.2270	0.000	1	107.2270	0.000	1	107.1335	0.017	2	107.9328	0.981	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]O[6]O)(C[6]O[6]CH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]CH)(O[6]C[6])(CCHH)(H){1|C<4>,1|O<1>,2|O<2>}	H(C[6]C[6,6]C[6]C)	107.0400	0.000	1	107.0400	0.000	1	107.1335	0.017	2	107.9328	0.981	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2C)	106.6630	0.000	1	106.6630	0.000	1	107.8393	0.543	49	107.9328	0.981	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]O[6]CH)(CH3)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2C)	108.0200	0.000	1	108.0200	0.000	1	107.8393	0.543	49	107.9328	0.981	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	108.2580	0.679	2	108.2580	0.461	2	107.8393	0.543	49	107.9328	0.981	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.0675	0.259	6	108.2827	0.126	10	107.8393	0.543	49	107.9328	0.981	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.6055	0.189	4	108.2827	0.126	10	107.8393	0.543	49	107.9328	0.981	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.1920	0.000	1	107.1920	0.000	1	107.8393	0.543	49	107.9328	0.981	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2C)	106.8260	0.000	1	106.8260	0.000	1	107.8393	0.543	49	107.9328	0.981	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[3x6])(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[3x6])(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2C)	108.1490	0.000	1	108.1490	0.000	1	107.8393	0.543	49	107.9328	0.981	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2C)	107.5260	0.000	1	107.5260	0.000	1	107.8393	0.543	49	107.9328	0.981	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	107.6445	0.788	4	107.6445	0.622	4	107.8393	0.543	49	107.9328	0.981	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	106.9635	1.428	2	107.5842	0.590	13	107.8393	0.543	49	107.9328	0.981	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.5090	0.044	2	107.5842	0.590	13	107.8393	0.543	49	107.9328	0.981	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	107.7208	0.595	5	107.5842	0.590	13	107.8393	0.543	49	107.9328	0.981	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2C)	106.8805	0.052	2	107.5842	0.590	13	107.8393	0.543	49	107.9328	0.981	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2C)	107.6420	0.216	2	107.5842	0.590	13	107.8393	0.543	49	107.9328	0.981	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.1810	0.000	1	108.1810	0.000	1	107.8393	0.543	49	107.9328	0.981	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2C)	107.2170	0.000	1	107.2150	0.000	2	107.8393	0.543	49	107.9328	0.981	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2C)	107.2130	0.000	1	107.2150	0.000	2	107.8393	0.543	49	107.9328	0.981	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HS)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]P[6])(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HS)(C[6]O[6]CH)(CH3)(H){1|C<4>,1|H<1>,1|P<4>}	C[6](C[6]C[6]CH)(O[6]P[6])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<4>}	H(C[6]C[6]2C)	108.3700	0.000	1	108.3700	0.000	1	107.8393	0.543	49	107.9328	0.981	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CH)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CF3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CH)(CC[6a]HH)(H){2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(CF3)(H){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.0077	0.133	3	107.0077	0.018	3	107.8393	0.543	49	107.9328	0.981	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCO)(H)	H(C[6]C[6]2C)	C[6](C[6]N[6]CH)(C[6]O[6]CH)(CH3)(H){1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCCO)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.0700	0.000	1	108.0700	0.000	1	107.8393	0.543	49	107.9328	0.981	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)2(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	H(C[6]C[6]2C)	C[6](C[6]O[6]CH)2(CH3)(H){1|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	108.1840	0.000	1	108.4220	0.725	4	107.8393	0.543	49	107.9328	0.981	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)2(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	H(C[6]C[6]2C)	C[6](C[6]O[6]CH)2(CH3)(H){1|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2C)	108.5013	1.025	3	108.4220	0.725	4	107.8393	0.543	49	107.9328	0.981	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)2(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCN)(H)	H(C[6]C[6]2C)	C[6](C[6]O[6]CH)2(CH3)(H){1|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCCN)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	108.1500	0.000	1	108.1500	0.000	1	107.8393	0.543	49	107.9328	0.981	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)2(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CC[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]O[6]CH)2(CH3)(H){1|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(CC[6]CH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2C)	109.3230	0.000	1	109.3230	0.000	1	107.8393	0.543	49	107.9328	0.981	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NPdHH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NPdHH)(H){1|C<4>,1|H<1>,1|H<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2N)	107.3080	0.000	1	108.3755	0.761	4	109.0747	3.155	7	107.9328	0.981	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NPdHH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NPdHH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2N)	108.7313	0.618	3	108.3755	0.761	4	109.0747	3.155	7	107.9328	0.981	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NPtHH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NPtHH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2N)	108.5900	0.181	2	108.5900	0.033	2	109.0747	3.155	7	107.9328	0.981	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NH3)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NH3)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	112.8410	0.000	1	112.8410	0.000	1	109.0747	3.155	7	107.9328	0.981	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(SC[6a]OO)(H)	C[6](C[6]C[6]HS)(O[6]C[6])(CCHH)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(SC[6a]OO)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HS)(O[6]C[6])(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2S)	106.6080	0.000	1	106.6080	0.000	1	106.6080	0.000	1	107.9328	0.981	60	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CO)(CC[6a]HH)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6])(CH3)(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CO)(CC[6a]HH)(H){3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(O[6]C[6])(CH3)(OH){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	106.3750	0.000	1	106.3750	0.000	1	106.3750	0.000	1	106.7660	1.025	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]CO)(CCHO)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(OC)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]O[6]CO)(CCHO)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(OC){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	105.3840	0.000	1	105.3840	0.000	1	106.7160	1.246	7	106.7660	1.025	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CO)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CHHO)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]CO)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(CHHO)(OH){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.6685	0.394	2	107.6685	0.155	2	106.7160	1.246	7	106.7660	1.025	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CO)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(OH){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.3405	1.138	2	107.3405	1.294	2	106.7160	1.246	7	106.7660	1.025	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]O[6]CO)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]O)(C[6]O[6]CO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(OH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2C)	105.8050	0.000	2	105.8050	0.000	2	106.7160	1.246	7	106.7660	1.025	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:2:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(PO3)(H)	C[6](C[6]C[6]HP)(O[6]C[6])(CH3)(OH)	H(C[6]C[6]2P)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(PO3)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]HP)(O[6]C[6])(CH3)(OH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2P)	107.5070	0.000	1	107.5070	0.000	1	107.5070	0.000	1	106.7660	1.025	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]O[6]CC)(CCHH)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CCHH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]O[6]CC)(CCHH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]C)	107.1460	1.150	2	107.1460	1.322	2	107.3843	0.831	3	106.6525	0.809	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)(CCHH)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6])(CH3)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)(CCHH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.8610	0.000	1	107.8610	0.000	1	107.3843	0.831	3	106.6525	0.809	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]O[6]CC)(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[3x6]HH)(C[6]O[6]CC)(CCHH)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.4647	0.052	3	107.4647	0.003	3	106.5859	0.778	33	106.6525	0.809	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]O[6]CC)(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[5,6,6]HH)(C[6]O[6]CC)(CCHH)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.1260	0.000	1	108.1260	0.000	1	106.5859	0.778	33	106.6525	0.809	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]CC)(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]C[5,6])(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]O[6]CC)(CCHH)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]CH)(O[6]C[5,6])(CCHH)(CH3){2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.1385	0.334	2	107.1385	0.112	2	106.5859	0.778	33	106.6525	0.809	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	105.8126	0.982	5	106.0709	1.015	8	106.5859	0.778	33	106.6525	0.809	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	106.5013	1.085	3	106.0709	1.015	8	106.5859	0.778	33	106.6525	0.809	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.4342	0.396	4	107.4894	0.133	5	106.5859	0.778	33	106.6525	0.809	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3){2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.7100	0.000	1	107.4894	0.133	5	106.5859	0.778	33	106.6525	0.809	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.0216	0.322	12	106.0216	0.104	12	106.5859	0.778	33	106.6525	0.809	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(CC[3]CH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(CC[3]CH)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(CH3){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	106.9250	0.000	1	106.9250	0.000	1	106.5859	0.778	33	106.6525	0.809	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]O[6]CC)(C[6]O[6]CH)(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CC[5]HH)(CCHH)	H(C[6]C[6]2C)	C[6](C[6]O[6]CC)(C[6]O[6]CH)(CCHH)(H){1|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6])(CC[5]HH)(CCHH){1|C<2>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	107.3410	0.000	1	107.3410	0.000	1	106.5859	0.778	33	106.6525	0.809	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	B[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](B[5,6]C[6]N[5]O[5])(C[6]N[6]HH)(CCCH)(H)	C[6](C[6]B[5,6]CH)(N[6]C[6]S)(H)2	H(C[6]B[5,6]C[6]C)	C[6](B[5,6]C[6]N[5]O[5])(C[6]N[6]HH)(CCCH)(H){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	C[6](C[6]B[5,6]CH)(N[6]C[6]S)(H)2{1|C<4>,1|N<4>,1|O<2>,2|H<1>}	H(C[6]B[5,6]C[6]C)	105.7470	1.334	2	105.7470	1.778	2	105.7470	1.778	2	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	B[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](B[6]C[6]N[6]H)(C[6]N[6]HH)(CCCH)(H)	C[6](C[6]B[6]CH)(N[6]C[6]S)(H)2	H(C[6]B[6]C[6]C)	C[6](B[6]C[6]N[6]H)(C[6]N[6]HH)(CCCH)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[6](C[6]B[6]CH)(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]B[6]C[6]C)	104.7005	1.040	2	104.7005	1.082	2	104.7005	1.082	2	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6]N[6]H)(C[6]N[6]HH)(H)	C[6](C[6]C[3,6]C[6]H)(N[6]C[6]S)(H)2	H(C[6]C[3,6]C[6]2)	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6]N[6]H)(C[6]N[6]HH)(H){2|C<3>,2|S<4>,3|C<4>,5|H<1>}	C[6](C[6]C[3,6]C[6]H)(N[6]C[6]S)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[3,6]C[6]2)	90.7651	0.000	1	90.7651	0.000	1	90.7651	0.000	1	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3]C[3]2C)(C[6]C[6]HH)2(H)	C[6](C[6]C[3]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[3]C[6]2)	C[6](C[3]C[3]2C)(C[6]C[6]HH)2(H){2|Cl<1>,1|C<3>,1|O<1>,3|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[3]C[6]2)	107.4590	0.000	1	107.4590	0.000	1	107.6108	0.109	5	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3]C[3]2C)(C[6]C[6]HH)2(H)	C[6](C[6]C[3]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[3]C[6]2)	C[6](C[3]C[3]2C)(C[6]C[6]HH)2(H){2|Cl<1>,1|C<3>,1|O<1>,3|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[3]C[6]2)	107.4160	0.000	1	107.4160	0.000	1	107.6108	0.109	5	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3]C[3]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[3]C[6]H)(C[6]N[6]O)(H)2	H(C[6]C[3]C[6]2)	C[6](C[3]C[3]2H)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]N[6]O)(H)2{1|S<4>,3|C<4>,3|H<1>}	H(C[6]C[3]C[6]2)	108.1810	0.000	1	108.1810	0.000	1	107.6108	0.109	5	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3]C[3]N[3]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H)	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]O)(H)2	H(C[6]C[3]C[6]2)	C[6](C[3]C[3]N[3]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,1|S<4>,3|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]O)(H)2{1|N<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[3]C[6]2)	107.4990	0.156	2	107.4990	0.024	2	107.6108	0.109	5	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[3x6]CH)(C[6]C[6]H)(H)2	H(C[6]C[3x6]C[6]C)	C[6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3x6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]C)	106.9970	0.000	1	106.9970	0.000	1	106.9970	0.000	1	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[4,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[4,6]CH)(C[6]C[6]H)(H)2	H(C[6]C[4,6]C[6]C)	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[4,6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	H(C[6]C[4,6]C[6]C)	107.5780	0.025	2	107.5780	0.001	2	107.5780	0.001	2	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,5,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[5,5,6]C[6]C)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|O<2>,2|O<1>,3|C<4>}	C[6](C[6]C[5,5,6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5,5,6]C[6]C)	107.4770	0.000	1	107.4770	0.000	1	107.3525	0.031	2	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,5,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[5,5,6]C[6]C)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|O<1>,3|C<4>}	C[6](C[6]C[5,5,6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5,5,6]C[6]C)	107.2280	0.000	1	107.2280	0.000	1	107.3525	0.031	2	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[3x6]C[5,6]C[5])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6,6]O)(H)2	H(C[6]C[5,6,6]C[6]C)	C[6](C[5,6,6]C[3x6]C[5,6]C[5])(C[6]C[6]HH)(CCCH)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6,6]O)(H)2{1|C<3>,4|C<4>}	H(C[6]C[5,6,6]C[6]C)	105.9330	0.000	1	105.9330	0.000	1	107.2668	2.452	5	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]H)(H)2	H(C[6]C[5,6,6]C[6]C)	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	H(C[6]C[5,6,6]C[6]C)	108.9020	0.000	1	108.9020	0.000	1	107.2668	2.452	5	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6,6]C)(H)2	H(C[6]C[5,6,6]C[6]C)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(CH3)(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6,6]C)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[5,6,6]C[6]C)	105.3240	0.000	1	105.3240	0.000	1	107.2668	2.452	5	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[5,6,6]C[6]C)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6,6]C[6]C)	108.0875	0.484	2	108.0875	0.235	2	107.2668	2.452	5	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[3]C[3]2H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[3]C[6])	C[6](C[5,6]C[5,6]C[5]O)(C[3]C[3]2H)(C[6]C[6]HH)(H){2|H<1>,3|C<3>,5|C<4>}	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[3]C[6])	107.5945	0.018	2	107.5945	0.000	2	107.5945	0.000	2	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[5]C[5]2H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2	H(C[6]C[5,6]C[5]C[6])	C[6](C[5,6]C[5,6,6]O[5]H)(C[5]C[5]2H)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,7|C<4>}	C[6](C[6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[5]C[6])	103.8440	0.000	1	103.8440	0.000	1	103.8440	0.000	1	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]C)	107.5610	0.000	1	107.5610	0.000	1	107.2403	1.311	55	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]C)	107.3950	0.177	2	107.3950	0.031	2	107.2403	1.311	55	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(CCHH)(H){1|O<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	105.3080	0.815	2	105.3080	0.664	2	107.2403	1.311	55	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5,5]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6,6]C[5,5]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	108.1780	0.000	1	108.1780	0.000	1	107.2403	1.311	55	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]H)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]H)(H)2{1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]C)	107.5635	1.546	2	107.5635	2.391	2	107.2403	1.311	55	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]C)	108.9070	2.335	2	108.9070	5.452	2	107.2403	1.311	55	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]O[6]O)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]O[6]O)(H)2{1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]C)	107.8160	0.000	1	107.8160	0.000	1	107.2403	1.311	55	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,5|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(H)2{1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]C)	105.0915	0.194	2	105.0915	0.038	2	107.2403	1.311	55	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]C)	107.6883	0.522	3	107.6883	0.272	3	107.2403	1.311	55	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	111.2910	0.000	1	111.2910	0.000	1	107.2403	1.311	55	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]C)	108.0930	0.000	1	108.0930	0.000	1	107.2403	1.311	55	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(CH3)(H){1|O<1>,3|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5,6]C[6]C)	106.9900	0.000	1	106.9900	0.000	1	107.2403	1.311	55	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(CCCH)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]C[6]C)	106.2880	0.165	2	106.2880	0.027	2	107.2403	1.311	55	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]C)	104.9940	0.000	1	104.9940	0.000	1	107.2403	1.311	55	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]O)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]HH)(CCHH)(H){1|O<2>,6|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]O)(H)2{4|C<3>}	H(C[6]C[5,6]C[6]C)	107.1420	0.000	1	107.1420	0.000	1	107.2403	1.311	55	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6a]O)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]HH)(CCHH)(H){1|O<1>,6|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6a]O)(H)2{4|C<3>}	H(C[6]C[5,6]C[6]C)	106.3469	0.435	7	106.3469	0.189	7	107.2403	1.311	55	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.9370	0.000	1	107.9370	0.000	1	107.2403	1.311	55	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.7690	0.000	1	107.7690	0.000	1	107.2403	1.311	55	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(H){1|O<2>,2|O<1>,3|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5,6]C[6]C)	107.3204	0.252	19	107.3204	0.064	19	107.2403	1.311	55	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]O)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]O)(H)2{2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]C)	107.4360	0.000	1	107.4360	0.000	1	107.2403	1.311	55	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCCH)(H){1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]C)	108.5170	0.000	1	108.5170	0.000	1	107.2403	1.311	55	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]O)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(H){1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]O)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	108.4030	0.000	2	108.4030	0.000	2	107.2403	1.311	55	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]N[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(N[6]C[5,6]H)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]N[6]HH)(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(N[6]C[5,6]H)(H)2{5|C<4>}	H(C[6]C[5,6]C[6]C)	105.5730	0.127	2	105.5730	0.016	2	107.1366	2.818	5	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(CHHO)(H)	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(CHHO)(H){1|C<3>,1|N<3>,3|C<4>}	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]C)	106.7480	0.000	1	106.7480	0.000	1	107.1366	2.818	5	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]N[5]O[5])(C[6]N[6]HH)(CC[6a]HS)(H)	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[6]N[5]O[5])(C[6]N[6]HH)(CC[6a]HS)(H){1|N<2>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]C)	108.8945	0.189	2	108.8945	0.036	2	107.1366	2.818	5	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]2)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,4|C<4>,7|H<1>}	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]O)(H)2{4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]2)	107.0340	0.000	1	107.0340	0.000	1	107.0340	0.000	1	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(PC[6a]2O)(H)	C[6](C[6]C[5,6]HP)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]P)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(PC[6a]2O)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[5,6]HP)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]P)	108.0440	0.000	1	108.0440	0.000	1	108.0440	0.000	1	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(SiC[6a]CC)(H)	C[6](C[6]C[5,6]SiH)(C[6]C[5,6,6]O)(H)2	H(C[6]C[5,6]C[6]Si)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(SiC[6a]CC)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]SiH)(C[6]C[5,6,6]O)(H)2{5|C<4>}	H(C[6]C[5,6]C[6]Si)	105.4760	0.000	1	105.4760	0.000	1	105.4760	0.000	1	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5]C[5,6a]C[5,6]C)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]C[5,6]C)(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)2{1|C<2>,1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5]C[6]2)	106.8890	0.000	1	106.8890	0.000	1	107.4114	0.605	10	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)2(H){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5]C[6]2)	107.4110	0.000	1	107.3590	0.005	2	107.4114	0.605	10	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5]C[6]2)	107.3070	0.000	1	107.3590	0.005	2	107.4114	0.605	10	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)2(H){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5]C[6]2)	107.3900	0.000	1	107.4025	0.000	2	107.4114	0.605	10	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5]C[6]2)	107.4150	0.000	1	107.4025	0.000	2	107.4114	0.605	10	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]O[5]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]O[5]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5]C[6]2)	109.3830	0.000	1	109.3830	0.000	1	107.4114	0.605	10	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]C)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5]C[6]2)	107.4145	0.124	2	107.4145	0.015	2	107.4114	0.605	10	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]S[5]C)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]S[5]C)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|S<2>,2|C<4>,4|H<1>}	H(C[6]C[5]C[6]2)	106.3140	0.000	1	106.3140	0.000	1	107.4114	0.605	10	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[5]N[5]S[5]C)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]N[5]S[5]C)(C[6]C[6]HH)2(H){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)2{1|N<3>,1|S<2>,2|H<1>,3|C<4>}	H(C[6]C[5]C[6]2)	107.1760	0.000	1	107.1760	0.000	1	107.4114	0.605	10	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:Br-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]BrH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(Br)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]BrH)(CH3)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(Br)(H){1|Br<1>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	107.6100	0.136	2	107.6100	0.018	2	107.6100	0.018	2	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6a]O)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6a]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]C)	108.1650	0.000	1	108.1650	0.000	1	106.8313	4.529	21	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]B[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]B[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|B<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	107.5120	0.000	1	107.5120	0.000	1	106.8313	4.529	21	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]C)	107.3060	0.000	1	107.3060	0.000	1	106.8313	4.529	21	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]C)	106.7310	0.000	1	106.7310	0.000	1	106.8313	4.529	21	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]C)	106.7745	0.016	2	106.7251	0.415	9	106.8313	4.529	21	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<2>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]C)	107.7090	0.000	2	106.7251	0.415	9	106.8313	4.529	21	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]C)	106.5190	0.316	3	106.7251	0.415	9	106.8313	4.529	21	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|H<1>,2|O<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]C)	106.0010	0.000	2	106.7251	0.415	9	106.8313	4.529	21	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	107.8730	0.000	1	107.8730	0.000	1	106.8313	4.529	21	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	107.2780	0.731	2	107.2780	0.535	2	106.8313	4.529	21	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	98.1523	0.000	1	103.1017	48.992	2	106.8313	4.529	21	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	108.0510	0.000	1	103.1017	48.992	2	106.8313	4.529	21	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]C)	108.5830	0.000	1	108.5830	0.000	1	106.8313	4.529	21	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CC[5]HH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CC[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]C)	108.1500	0.000	1	108.1500	0.000	1	106.8313	4.529	21	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<3>,3|O<2>}	H(C[6]C[6,6]C[6]C)	107.8510	0.000	1	107.8510	0.000	1	106.8313	4.529	21	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(N[6]C[6,6]H)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]HH)(CH3)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]CH)(N[6]C[6,6]H)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	108.2950	0.000	1	108.2950	0.000	1	105.4283	4.206	4	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]2)(C[6]N[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6]C[6]2)(C[6]N[6]HH)(CCHH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	105.0280	0.000	1	105.0280	0.000	1	105.4283	4.206	4	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(N[6]C[6,6]S)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]HH)(CCHH)(H){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(N[6]C[6,6]S)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	104.1950	1.095	2	104.1950	1.198	2	105.4283	4.206	4	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]2Cl)(C[6]C[6]HO)(C[6]N[6]HH)(H)	C[6](C[6]C[6,6]C[6]H)(N[6]C[6]S)(H)2	H(C[6]C[6,6]C[6]2)	C[6](C[6,6]C[3x6]2Cl)(C[6]C[6]HO)(C[6]N[6]HH)(H){1|S<4>,4|H<1>,5|C<4>}	C[6](C[6]C[6,6]C[6]H)(N[6]C[6]S)(H)2{1|Cl<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]2)	105.7930	1.360	2	105.7930	1.851	2	105.7930	1.851	2	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(BC[5]HH)(H)	C[6](C[6]C[6]BH)(N[6]C[6]S)(H)2	H(C[6]C[6]2B)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(BC[5]HH)(H){1|C<4>,1|S<4>,3|C<3>}	C[6](C[6]C[6]BH)(N[6]C[6]S)(H)2{2|C<3>,3|H<1>}	H(C[6]C[6]2B)	108.3200	0.000	1	108.3200	0.000	1	108.3200	0.000	1	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6]2C)	107.7570	0.000	1	107.7652	0.014	4	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2C)	107.7190	0.000	1	107.7652	0.014	4	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2C)	107.9310	0.000	1	107.7652	0.014	4	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.6540	0.000	1	107.7652	0.014	4	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.1670	0.000	1	106.1670	0.000	1	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2C)	107.4720	0.000	1	107.4720	0.000	1	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{4|C<4>}	H(C[6]C[6]2C)	106.1290	0.000	1	106.1290	0.000	1	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.1970	0.000	1	106.9277	0.055	3	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	106.7930	0.037	2	106.9277	0.055	3	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CHHN)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	108.0090	0.000	1	108.0090	0.000	1	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CHHO)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<2>}	H(C[6]C[6]2C)	104.6085	1.259	2	104.6085	1.586	2	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	107.9460	0.000	1	107.9460	0.000	1	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCoCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCoCH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.6830	0.000	1	107.6830	0.000	1	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(H){1|N<3>,2|O<1>}	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	107.2283	0.081	6	107.2283	0.006	6	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2C)	106.7925	0.009	2	106.7925	0.000	2	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	110.7120	0.000	1	110.7120	0.000	1	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.3355	1.309	2	107.3355	1.713	2	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2C)	108.5290	0.000	1	108.2905	0.148	4	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.7450	0.000	1	108.2905	0.148	4	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.4440	0.209	2	108.2905	0.148	4	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.1800	0.000	1	107.1800	0.000	1	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CP)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CP)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|P<4>}	H(C[6]C[6]2C)	107.9690	0.000	1	107.9690	0.000	1	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CBrHS)(H)	C[6](C[6]C[6]CH)(C[6]C[6]S)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CBrHS)(H){1|C<3>,1|S<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]2C)	105.5890	0.000	1	105.5890	0.000	1	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[5]CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[5]CC)(H){1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	106.2020	0.000	1	106.2020	0.000	1	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]2C)	108.2330	0.000	1	108.2330	0.000	1	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HW)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HW)(CC3)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|W<7>,2|H<1>}	H(C[6]C[6]2C)	106.5390	0.000	1	106.5390	0.000	1	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6]HH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	107.1530	0.000	2	107.1530	0.000	2	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H){2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	107.6830	0.000	1	107.6830	0.000	1	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	107.7870	0.000	1	107.7870	0.000	1	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CB[5]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CB[5]CH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.6750	0.000	2	108.6750	0.000	2	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC3)(H){3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|Cl<1>,1|C<3>,2|H<1>}	H(C[6]C[6]2C)	103.0303	1.978	3	103.0303	3.914	3	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC3)(H){1|Br<1>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	106.2585	0.035	2	106.2585	0.001	2	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCCF)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCCF)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2C)	110.5870	0.000	1	110.5870	0.000	1	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCCH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.8355	0.050	2	107.6530	0.101	3	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCCH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.2880	0.000	1	107.6530	0.101	3	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCCN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCCN)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.3450	0.000	1	106.3450	0.000	1	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCCN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCCN)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.5800	0.000	1	106.5800	0.000	1	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHH)(H){3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	108.0435	0.080	2	108.0435	0.006	2	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.8440	0.068	2	112.5503	29.536	4	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2C)	117.2565	0.087	2	112.5503	29.536	4	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.8010	0.086	2	107.7258	0.168	5	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.6757	0.569	3	107.7258	0.168	5	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,2|O<1>}	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2C)	109.2970	0.000	1	109.2970	0.000	1	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.9470	0.000	1	108.9470	0.000	1	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[3]CO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[3]CO)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.5853	0.222	3	106.5853	0.049	3	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6a]CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[6a]CC)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.7320	0.000	1	108.2263	0.185	3	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6a]CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[6a]CC)(H){1|O<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.4735	0.057	2	108.2263	0.185	3	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6a]CS)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[6a]CS)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	104.5795	0.902	2	104.5795	0.813	2	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CClCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CClCC)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.5640	0.000	1	106.4375	0.032	2	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CClCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CClCC)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.3110	0.000	1	106.4375	0.032	2	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CClCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CClCC)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.5580	0.000	1	106.5580	0.000	1	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	106.7020	0.020	2	100.4188	52.638	4	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2C)	94.1356	0.025	2	100.4188	52.638	4	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.9880	0.000	1	107.3430	3.223	5	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.2250	0.000	1	107.3430	3.223	5	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	104.1370	0.000	1	107.3430	3.223	5	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.2470	0.000	1	107.3430	3.223	5	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.1180	0.000	1	107.3430	3.223	5	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	111.6450	0.000	1	108.1502	3.485	6	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	108.0790	0.000	1	108.1502	3.485	6	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.6810	0.491	3	108.1502	3.485	6	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.1340	0.000	1	108.1502	3.485	6	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.3080	0.000	1	107.4316	3.993	28	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	108.0640	0.000	1	107.4316	3.993	28	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.0810	0.000	1	107.4316	3.993	28	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,2|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2C)	105.6830	2.426	4	107.4316	3.993	28	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.4025	1.002	2	107.4316	3.993	28	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.9496	0.320	5	107.4316	3.993	28	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	101.9370	0.000	1	107.4316	3.993	28	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.0715	3.513	4	107.4316	3.993	28	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.0075	0.281	6	107.4316	3.993	28	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2C)	108.3300	0.000	1	107.4316	3.993	28	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|Si<4>,1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.5150	0.000	1	107.4316	3.993	28	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|Si<4>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.2330	0.000	1	107.4316	3.993	28	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHHI)(H)	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CHHI)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.9330	0.660	2	108.9330	0.436	2	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CHHN)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	109.2750	0.000	1	109.2750	0.000	1	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]N[6]S)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CHHN)(H){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C[6](C[6]C[6]CH)(C[6]N[6]S)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.9160	0.000	1	108.9160	0.000	1	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.6360	0.000	1	107.6360	0.000	1	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]O[6]O)(C[6]C[6]HH)(CH3)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|O<2>}	H(C[6]C[6]2C)	108.3570	0.000	1	108.3570	0.000	1	107.3055	6.893	126	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CHHO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CHHO)(H){2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	109.1760	0.429	3	109.1760	0.184	3	107.5171	0.881	50	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CHHO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CHHO)(H){2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	108.3120	0.000	1	108.3120	0.000	1	107.5171	0.881	50	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]N[6]HH)(CF3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]N[6]HH)(CF3)(H){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	105.7780	0.000	1	105.7780	0.000	1	107.5171	0.881	50	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.9490	0.142	4	106.9490	0.020	4	107.5171	0.881	50	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(H){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.0040	0.000	1	106.0040	0.000	1	107.5171	0.881	50	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.8310	0.000	1	107.8310	0.000	1	107.5171	0.881	50	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6]HH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.6690	0.000	1	107.0430	0.105	3	107.5171	0.881	50	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6]HH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6]HH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.2300	0.000	2	107.0430	0.105	3	107.5171	0.881	50	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.9365	0.179	8	107.9715	0.054	11	107.5171	0.881	50	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){2|C<4>,2|F<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.3660	0.000	1	107.9715	0.054	11	107.5171	0.881	50	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.9145	0.375	2	107.9715	0.054	11	107.5171	0.881	50	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|Br<1>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.4995	0.141	2	107.9803	0.765	6	107.5171	0.881	50	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.8575	0.062	2	107.9803	0.765	6	107.5171	0.881	50	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.5840	0.098	2	107.9803	0.765	6	107.5171	0.881	50	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHO)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.5810	0.264	2	107.5810	0.070	2	107.5171	0.881	50	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	107.2677	0.098	3	107.2677	0.010	3	107.5171	0.881	50	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCCO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCCO)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	106.8190	0.000	1	106.8190	0.000	1	107.5171	0.881	50	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCHH)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	106.1343	0.565	6	106.1343	0.319	6	107.5171	0.881	50	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]O[6]H)(C[6]N[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	107.9730	0.000	1	107.9730	0.000	1	107.5171	0.881	50	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CH3)(H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2C)	107.9280	0.000	1	107.9280	0.000	1	107.5171	0.881	50	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CH3)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.3570	0.000	1	107.8635	0.487	2	107.5171	0.881	50	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CH3)(H){1|H<1>,1|S<4>,3|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.3700	0.000	1	107.8635	0.487	2	107.5171	0.881	50	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.6940	0.000	1	106.6940	0.000	1	107.5171	0.881	50	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.8640	0.000	1	107.8640	0.000	1	107.5171	0.881	50	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]S[6]C)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[6]CH)(C[6]N[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]CH)(N[6]S[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,2|O<1>}	H(C[6]C[6]2C)	109.1310	0.000	1	109.1310	0.000	1	107.5171	0.881	50	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]3)	105.1850	0.000	1	105.1850	0.000	1	107.7041	2.053	11	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]2H)(C[6]N[6]O)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,2|O<1>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]3)	107.1645	0.221	2	107.1645	0.049	2	107.7041	2.053	11	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]3)	108.5613	0.182	3	108.5613	0.033	3	107.7041	2.053	11	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]C)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]N[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2{1|C<3>,1|N<2>,2|C<4>,4|H<1>}	H(C[6]C[6]3)	110.6120	0.000	1	109.0525	4.864	2	107.7041	2.053	11	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]C)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]N[6]C)(C[6]C[6]HH)2(H){1|O<1>,3|C<4>,6|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2{1|N<4>,3|C<4>,4|H<1>}	H(C[6]C[6]3)	107.4930	0.000	1	109.0525	4.864	2	107.7041	2.053	11	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]3)	106.0480	0.000	1	106.0480	0.000	1	107.7041	2.053	11	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6]3)	107.8360	0.000	1	107.8360	0.000	1	107.7041	2.053	11	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]O[6]O)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H){1|C<4>,2|H<1>,2|O<1>,2|O<2>}	C[6](C[6]C[6]2H)(C[6]O[6]O)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]3)	107.5580	0.000	1	107.5580	0.000	1	107.7041	2.053	11	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NH3)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NH3)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2N)	108.1575	0.936	2	108.1575	0.875	2	108.7284	1.890	14	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H)	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2N)	107.9930	0.145	4	107.9930	0.021	4	108.7284	1.890	14	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HO)(NH3)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(NH3)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|O<2>}	H(C[6]C[6]2N)	108.5653	0.404	4	108.5653	0.163	4	108.7284	1.890	14	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCuCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCuCH)(H){1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	109.9125	2.207	4	109.9125	4.872	4	108.7284	1.890	14	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2Ir)(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2Ir)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2P)	106.4260	0.000	1	106.4260	0.000	1	106.5757	4.412	3	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2Pt)(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2Pt)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	104.5540	0.000	1	104.5540	0.000	1	106.5757	4.412	3	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]BH)(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]BH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	108.7470	0.000	1	108.7470	0.000	1	106.5757	4.412	3	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6]C[6]HS)(C[6]O[6]O)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HS)(C[6]O[6]O)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2S)	108.2595	0.852	2	108.2595	0.726	2	105.4315	24.356	3	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(SC[6a]OO)(H)	C[6](C[6]C[6]HS)(C[6]C[6]C)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)2(SC[6a]OO)(H){2|C<3>,2|N<3>}	C[6](C[6]C[6]HS)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2S)	99.7755	0.000	1	99.7755	0.000	1	105.4315	24.356	3	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(SFOO)(H)	C[6](C[6]C[6]HS)(N[6]S[6]C)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(SFOO)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HS)(N[6]S[6]C)(H)2{1|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6]2S)	107.3540	0.000	1	107.3540	0.000	1	107.3540	0.000	1	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(SiC[6a]CC)(H)	C[6](C[6]C[6]SiH)(C[6]C[6,6]O)(H)2	H(C[6]C[6]2Si)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(SiC[6a]CC)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]SiH)(C[6]C[6,6]O)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2Si)	107.8940	0.000	1	107.8940	0.000	1	107.4110	0.467	2	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SiC[6a]CC)(H)	C[6](C[6]C[6]SiH)(C[6]C[6,6]O)(H)2	H(C[6]C[6]2Si)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SiC[6a]CC)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]SiH)(C[6]C[6,6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2Si)	106.9280	0.000	1	106.9280	0.000	1	107.4110	0.467	2	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]N[6]C)	104.1210	0.000	1	104.1210	0.000	1	107.5100	5.336	4	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	109.2930	0.000	1	109.2930	0.000	1	107.5100	5.336	4	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.4790	0.000	1	108.4790	0.000	1	107.5100	5.336	4	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]Zn)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|Zn<4>,1|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]Zn)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.1470	0.000	1	108.1470	0.000	1	107.5100	5.336	4	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:P[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(P[6]C[6]CW)(CCCH)(H)	C[6](C[6]P[6]CH)(C[6]C[6]C)(H)2	H(C[6]C[6]P[6]C)	C[6](C[6]C[6]HH)(P[6]C[6]CW)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]P[6]CH)(C[6]C[6]C)(H)2{1|W<6>,3|C<4>}	H(C[6]C[6]P[6]C)	107.7520	0.000	1	107.7520	0.000	1	107.7520	0.000	1	107.2437	4.727	341	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[3]C[3]2H)(C[6]C[6]HO)(H)	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]C)(OH)(H)	H(C[6]C[5,6]C[3]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[3]C[3]2H)(C[6]C[6]HO)(H){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]C)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[3]C[6])	108.6250	0.000	1	108.6250	0.000	1	108.6250	0.000	1	107.3388	0.950	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O[6]H)(C[6]C[6]CC)(H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]H)(O[6]O[6])(H)	H(C[6]C[5,6]C[6]2)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O[6]H)(C[6]C[6]CC)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]H)(O[6]O[6])(H){1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]2)	106.6747	0.157	3	106.6747	0.025	3	106.6747	0.025	3	107.3388	0.950	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(O[6]C[6])(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)(CH3)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(O[6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]C)	109.9060	0.000	1	109.9060	0.000	1	109.9060	0.000	1	107.3388	0.950	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]2H)(C[6]C[6]HO)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|I<1>}	H(C[6]C[6]2C)	108.3430	0.539	4	108.3430	0.291	4	107.4596	0.770	17	107.3388	0.950	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.8920	0.000	1	106.8920	0.000	1	107.4596	0.770	17	107.3388	0.950	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.6970	0.000	1	107.9790	0.159	2	107.4596	0.770	17	107.3388	0.950	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	108.2610	0.000	1	107.9790	0.159	2	107.4596	0.770	17	107.3388	0.950	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6a]HH)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2C)	106.6653	0.556	4	106.6653	0.309	4	107.4596	0.770	17	107.3388	0.950	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]O[6]O)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2C)	107.1310	0.000	1	107.1310	0.000	1	107.4596	0.770	17	107.3388	0.950	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.4200	0.000	1	106.4200	0.000	1	107.4596	0.770	17	107.3388	0.950	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(H){1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.8720	0.000	1	107.8720	0.000	1	107.4596	0.770	17	107.3388	0.950	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HN)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.9520	0.000	1	106.9520	0.000	1	107.4596	0.770	17	107.3388	0.950	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2C)	108.7870	0.000	1	108.7870	0.000	1	107.4596	0.770	17	107.3388	0.950	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]I)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)2(CH3)(H){1|C<3>,1|I<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]I)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	106.7680	0.000	1	106.7680	0.000	1	107.4596	0.770	17	107.3388	0.950	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]2)(O[6]C[6])(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.8350	0.000	1	107.8350	0.000	1	107.8350	0.000	1	107.3388	0.950	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:C-2:H-1:	C[6]-4:	C[6](C[6]C[6]HW)(C[6]N[6]CH)(CC3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CN)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HW)(C[6]N[6]CH)(CC3)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(CN)(H){1|C<4>,1|W<7>,3|H<1>}	H(C[6]C[6]2C)	107.0900	0.000	1	107.0900	0.000	1	107.0900	0.000	1	107.3388	0.950	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)(OC)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]H)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]3)	105.7490	0.000	1	105.7490	0.000	1	105.7490	0.000	1	107.3388	0.950	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H)	H(C[6]C[6]3)	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<1>,2|O<2>}	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]3)	107.6093	0.091	4	107.3036	0.473	5	107.0787	0.706	9	107.3388	0.950	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H)	H(C[6]C[6]3)	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]3)	106.0810	0.000	1	107.3036	0.473	5	107.0787	0.706	9	107.3388	0.950	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)2(H)	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H)	H(C[6]C[6]3)	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)2(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6]3)	106.1390	0.000	1	106.1390	0.000	1	107.0787	0.706	9	107.3388	0.950	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H)	H(C[6]C[6]3)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H){1|N<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]3)	105.7060	0.000	1	105.7060	0.000	1	107.0787	0.706	9	107.3388	0.950	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H)	H(C[6]C[6]3)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H){1|C<4>,2|H<1>,2|O<1>,2|O<2>}	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]3)	107.5480	0.000	1	107.6725	0.031	2	107.0787	0.706	9	107.3388	0.950	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H)	H(C[6]C[6]3)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]3)	107.7970	0.000	1	107.6725	0.031	2	107.0787	0.706	9	107.3388	0.950	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]HO)(H)	C[6](C[6]C[6]2H)(N[6]C[6]C)(OH)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]HO)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]2H)(N[6]C[6]C)(OH)(H){1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6]3)	106.2400	0.000	1	106.2400	0.000	1	106.2400	0.000	1	107.3388	0.950	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6]N[6]O[6]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(N[6]O[6]C)(O[6]C[6])(H)	H(C[6]C[6]3)	C[6](C[6]N[6]O[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(N[6]O[6]C)(O[6]C[6])(H){3|C<4>,6|H<1>}	H(C[6]C[6]3)	108.2060	0.000	1	108.2060	0.000	1	108.2060	0.000	1	107.3388	0.950	36	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:2:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:O-2:O-2:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]OO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(OC)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]OO)(CH3)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(OC)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2C)	107.2840	0.000	1	107.2840	0.000	1	107.2840	0.000	1	107.2840	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:2:4:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:N[6]-2:C-4:	C[6]-4:	C[6](C[6]C[6]N[6]C)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]O[6]O)(N[6]C[6])(CH3)	H(C[6]C[6]3)	C[6](C[6]C[6]N[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	C[6](C[6]C[6]2H)(C[6]O[6]O)(N[6]C[6])(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]3)	105.5270	0.000	1	105.5270	0.000	1	105.5270	0.000	1	105.5270	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[3x6]CH)(C[6]O[6]O)(CCO)(H)	H(C[6]C[3x6]C[6]C)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6]C[3x6]CH)(C[6]O[6]O)(CCO)(H){1|H<1>,2|C<4>}	H(C[6]C[3x6]C[6]C)	108.8820	0.000	1	108.8820	0.000	1	108.8820	0.000	1	107.6724	0.699	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(COO)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(COO)(H){1|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]C)	107.3830	0.000	1	107.3830	0.000	1	107.3830	0.000	1	107.6724	0.699	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[5]C[5]2Fe)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[5]C[6]H)(C[6]O[6]O)(NCH)(H)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]2Fe)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]O[6]O)(NCH)(H){1|Fe<10>,2|H<1>,3|C<4>}	H(C[6]C[5]C[6]2)	108.6530	0.000	1	108.6530	0.000	1	108.6530	0.000	1	107.6724	0.699	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6]H)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6]H)(CCCH)(H){1|H<1>,2|C<4>,5|C<3>}	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]C)	107.0260	0.266	2	107.0260	0.071	2	106.9457	0.055	3	107.6724	0.699	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CCCH)(H){1|H<1>,2|C<4>,5|C<3>}	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]C)	106.7850	0.000	1	106.7850	0.000	1	106.9457	0.055	3	107.6724	0.699	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2C)	107.1880	0.000	1	107.1880	0.000	1	107.5678	1.152	5	107.6724	0.699	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(COO)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.6135	0.555	2	108.6135	0.308	2	107.5678	1.152	5	107.6724	0.699	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6a]O)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	107.2130	0.000	1	107.2130	0.000	1	107.5678	1.152	5	107.6724	0.699	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CNO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CNO)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	106.2110	0.000	1	106.2110	0.000	1	107.5678	1.152	5	107.6724	0.699	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HN)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(NC[6a]O)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]C[6]HN)(CH3)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(NC[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2C)	106.8390	0.000	1	106.8390	0.000	1	106.8390	0.000	1	107.6724	0.699	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]S[6]H)(CCO)(H)	H(C[6]C[6]2C)	C[6](C[6]N[6]CH)(C[6]N[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]CH)(N[6]S[6]H)(CCO)(H){1|N<3>,2|H<1>,2|O<1>}	H(C[6]C[6]2C)	109.1030	0.000	1	109.1030	0.000	1	109.1030	0.000	1	107.6724	0.699	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]2H)(C[6]N[6]O)(CNO)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,2|O<1>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]N[6]O)(CNO)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]3)	107.1495	0.081	2	107.1495	0.007	2	107.1495	0.007	2	107.6724	0.699	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]O)(N[6]C[6]C)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,2|O<1>,4|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]O)(N[6]C[6]C)(H){1|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6]3)	108.0470	0.000	2	108.0470	0.000	2	107.9850	0.013	4	107.6724	0.699	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]C)(N[6]C[6]S)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)2(H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]C)(N[6]C[6]S)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]3)	107.9230	0.151	2	107.9230	0.023	2	107.9850	0.013	4	107.6724	0.699	19	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:3:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:C-3:C-2:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]N[6]CC)(CCHH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(COO)(CN)	H(C[6]C[6]2C)	C[6](C[6]C[6]CN)(C[6]N[6]CC)(CCHH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(COO)(CN){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.4830	0.000	1	106.4830	0.000	1	106.4830	0.000	1	106.4830	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:3:4:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]N[6]O)2(CCHH)	H(C[6]C[6]3)	C[6](C[6]C[6]2C)(C[6]C[6]HH)2(H){1|C<4>,2|N<3>,2|O<1>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]N[6]O)2(CCHH){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]3)	106.1250	0.241	3	106.1250	0.058	3	106.1250	0.058	3	106.1250	0.058	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:B[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]B[6a]C[6]H)(CC3)(H)	C[6](C[6]C[3,6]CH)(B[6a]O[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3]2C[6])(C[6]B[6a]C[6]H)(CC3)(H){2|Cl<1>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[3,6]CH)(B[6a]O[6a]2)(C[6]C[6]CH)(H){2|B<3>,2|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]C)	106.1937	0.566	3	106.1937	0.320	3	106.1937	0.320	3	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[3x6]C[6,6]2O[6,6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[3x6]C[6]H)(C[6]C[6]O)(CCHH)(H)	H(C[6]C[3x6]C[6]2)	C[6](C[3x6]C[6,6]2O[6,6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[6](C[6]C[3x6]C[6]H)(C[6]C[6]O)(CCHH)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[3x6]C[6]2)	106.8630	0.000	1	106.8630	0.000	1	106.8630	0.000	1	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CC[6]HH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(CCHH)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CC[6]HH)(H){2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]C)	106.4100	0.000	1	106.4100	0.000	1	107.6728	0.613	5	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CCHH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CCHH)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	108.4350	0.000	1	108.4350	0.000	1	107.6728	0.613	5	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CC[6a]HH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CC[6a]HH)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.8245	0.439	2	107.8245	0.193	2	107.6728	0.613	5	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.8700	0.000	1	107.8700	0.000	1	107.6728	0.613	5	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(CC[6a]ClH)(H)	C[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]HS)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(CC[6a]ClH)(H){1|C<4>,1|O<2>,1|S<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[5,6]C[6]C)	107.4450	0.000	1	107.4450	0.000	1	107.4450	0.000	1	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(CCHH)(H)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[5]C[6]2)	109.1075	0.108	4	109.1075	0.012	4	108.1520	2.198	6	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(CC[3]HH)(H)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(CC[3]HH)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[5]C[6]2)	106.2410	0.000	2	106.2410	0.000	2	108.1520	2.198	6	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CCHH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CCHH)(H){1|C<3>,1|N<2>,2|C<4>}	H(C[6]C[6,6]C[6]C)	106.6340	0.000	1	106.6340	0.000	1	106.8900	0.185	9	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CH3)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CH3)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	107.2080	0.000	1	107.2080	0.000	1	106.8900	0.185	9	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	107.0180	0.000	1	106.7350	0.084	6	106.8900	0.185	9	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	106.6784	0.284	5	106.7350	0.084	6	106.8900	0.185	9	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[3x6]H)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(CH3)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6a]C[3x6]H)(C[6]C[6]CH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]C)	107.7580	0.000	1	107.7580	0.000	1	106.8900	0.185	9	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6a]C[6]H)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6a]C[6]H)(CCHH)(H){1|H<1>,2|C<4>,2|N<3>,3|C<3>}	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]C)	106.6830	0.000	1	106.6830	0.000	1	106.6830	0.000	1	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[5]S[5]2C)(C[6]C[6]CH)(H)	C[6](C[6]C[5]C[6]H)(C[6]N[6,6]O)(CCHH)(H)	H(C[6]C[5]C[6]2)	C[6](C[6]C[6,6]HH)(C[5]S[5]2C)(C[6]C[6]CH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]C[5]C[6]H)(C[6]N[6,6]O)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>,2|S<2>}	H(C[6]C[5]C[6]2)	105.6130	0.000	1	105.6130	0.000	1	105.6130	0.000	1	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[5,6]C[5]N[5]O[6])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5]N[5]O[6])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2C)	108.1260	0.000	1	108.1260	0.000	1	108.1260	0.000	1	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(CH3)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(CH3)(H){1|C<4>,1|N<2>,2|O<2>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]CH)(H){2|C<4>,2|H<1>,2|O<1>,5|C<3>}	H(C[6]C[6]2C)	105.3580	0.000	1	105.3580	0.000	1	106.9020	4.768	2	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(CCHH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(CCHH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|O<2>,4|C<3>,6|H<1>}	H(C[6]C[6]2C)	108.4460	0.000	1	108.4460	0.000	1	106.9020	4.768	2	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(CH3)(H)	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(CH3)(H){1|H<1>,2|C<4>,6|C<3>}	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|C<4>,2|O<2>,4|H<1>,5|C<3>}	H(C[6]C[6]2C)	109.7550	0.000	1	109.7550	0.000	1	109.7550	0.000	1	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:B[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]B[6a]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[3,6]CH)(B[6a]O[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]B[6a]C[6]H)(C[6]C[6]HH)(CH3)(H){2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[3,6]CH)(B[6a]O[6a]2)(C[6]C[6]CH)(H){2|B<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	108.1050	0.156	3	108.1050	0.024	3	108.1050	0.024	3	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,3|C<4>}	H(C[6]C[6]2C)	106.8870	0.233	2	106.8870	0.054	2	106.9410	1.127	43	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHO)(H){1|C<4>,2|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2C)	107.6040	0.000	1	107.6040	0.000	1	106.9410	1.127	43	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHO)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.6310	0.000	1	106.8455	1.234	2	106.9410	1.127	43	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHO)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.0600	0.000	1	106.8455	1.234	2	106.9410	1.127	43	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCO)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC3)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2C)	105.5760	0.000	1	105.5760	0.000	1	106.9410	1.127	43	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.7190	0.000	1	108.7190	0.000	1	106.9410	1.127	43	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.8823	0.193	3	106.8823	0.037	3	106.9410	1.127	43	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.4460	0.000	1	107.4460	0.000	1	106.9410	1.127	43	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCHH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.2600	0.000	1	108.2600	0.000	1	106.9410	1.127	43	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCo2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCo2C)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.7495	1.252	2	106.7495	1.568	2	106.9410	1.127	43	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCo2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCo2C)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.9295	1.003	2	106.9295	1.007	2	106.9410	1.127	43	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]O)(CCHO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(H){1|N<3>,2|O<1>}	C[6](C[6]C[6]CH)(C[6]N[6]O)(CCHO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.2243	0.068	6	107.2243	0.005	6	106.9410	1.127	43	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|Br<1>,1|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.4600	0.000	1	108.4600	0.000	1	106.9410	1.127	43	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CC3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]O[6]O)(CC3)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2C)	105.1540	0.000	1	105.1540	0.000	1	106.9410	1.127	43	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCCH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2C)	105.3440	0.000	1	105.3440	0.000	1	106.9410	1.127	43	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2C)	103.1730	0.000	1	103.1730	0.000	1	106.9410	1.127	43	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	107.6350	0.000	1	107.7380	0.021	2	106.9410	1.127	43	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	107.8410	0.000	1	107.7380	0.021	2	106.9410	1.127	43	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6a]HH)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|H<1>,2|O<2>}	H(C[6]C[6]2C)	106.6242	0.484	5	106.6242	0.235	5	106.9410	1.127	43	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CHHO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHHO)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	105.8865	0.026	2	105.8865	0.001	2	106.9410	1.127	43	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]OO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]OO)(CH3)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)(H){1|C<3>,3|O<2>}	H(C[6]C[6]2C)	107.3110	0.000	1	107.3110	0.000	1	106.9410	1.127	43	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	109.4200	0.000	1	109.4200	0.000	1	106.9410	1.127	43	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.6430	0.153	2	107.3493	0.270	3	106.9410	1.127	43	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(CH3)(H){1|O<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.7620	0.000	1	107.3493	0.270	3	106.9410	1.127	43	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]CH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.1890	0.000	1	106.1890	0.000	1	106.9410	1.127	43	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CHHI)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(CHHI)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)(H){1|H<1>,2|C<4>}	H(C[6]C[6]2C)	107.2320	0.000	1	107.2320	0.000	1	106.9410	1.127	43	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(CHHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.3430	0.000	1	107.3430	0.000	1	106.9410	1.127	43	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCHH)(H){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]2)(C[6]C[6]CH)(H){1|C<4>,2|N<3>,4|C<3>,4|H<1>}	H(C[6]C[6]2C)	108.4340	0.000	1	108.4340	0.000	1	108.4340	0.000	1	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]HS)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(SC[6a]OO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]C[6]HS)(CHHO)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(SC[6a]OO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	106.1730	0.000	1	106.1730	0.000	1	106.1730	0.000	1	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]O)(C[6]C[6a]C[6]H)(CHHO)(H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]C[6a]O)(C[6]C[6a]C[6]H)(CHHO)(H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6]2C)	106.8915	0.054	2	106.8915	0.003	2	107.6674	2.215	7	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CC)(CCHH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CC)(CCHH)(H){1|H<1>,5|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,2|C<2>,2|H<1>,5|C<3>}	H(C[6]C[6]2C)	108.4690	0.000	1	108.4690	0.000	1	107.6674	2.215	7	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(CCCO)(H)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(CCCO)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]CH)(H){4|C<3>,4|H<1>}	H(C[6]C[6]2C)	105.1660	0.000	1	105.1660	0.000	1	107.6674	2.215	7	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]HH)(CH3)(H)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]2C)	109.4440	0.000	1	108.7513	0.830	3	107.6674	2.215	7	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]HH)(CH3)(H)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[6]2C)	108.4050	0.970	2	108.7513	0.830	3	107.6674	2.215	7	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(CH3)(H){1|S<4>,3|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(CH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.8535	0.745	2	106.8535	0.554	2	106.9355	0.459	8	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]H)(CH3)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	105.8280	0.000	1	105.8280	0.000	1	106.9355	0.459	8	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CHHO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]H)(CHHO)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.8020	0.000	1	106.8020	0.000	1	106.9355	0.459	8	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]N[6]CH)(CCHH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]ClH)(C[6]N[6]CH)(CCHH)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(CCHH)(H){1|Cl<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.2390	0.000	1	107.2390	0.000	1	106.9355	0.459	8	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.7650	0.000	1	106.7650	0.000	1	106.9355	0.459	8	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CCCH)(H)	H(C[6]C[6]2C)	C[6](C[6]N[6]CH)(C[6]O[6]CH)(CH3)(H){1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]H)(CCCH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.0570	0.000	1	108.0570	0.000	1	106.9355	0.459	8	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CCHS)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(CC[6a]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CCHS)(H){1|C<4>,1|S<4>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(CC[6a]HH)(H){1|O<2>,4|H<1>}	H(C[6]C[6]2C)	107.0860	0.000	1	107.0860	0.000	1	106.9355	0.459	8	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HP)(CCHH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(PO3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]N[6]HP)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(PO3)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.9710	0.000	1	106.9710	0.000	1	106.9710	0.000	1	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](N[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6]2C)	108.5370	0.000	1	108.5370	0.000	1	108.5370	0.000	1	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]2H)(C[6]N[6]O)(CHHO)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|N<4>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]N[6]O)(CHHO)(H){3|H<1>,4|C<4>}	H(C[6]C[6]3)	104.9280	0.000	1	104.9280	0.000	1	107.1472	1.057	9	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]O)(CC[6]HH)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,2|O<1>,4|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]O)(CC[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]3)	108.0470	0.000	2	107.5853	0.639	3	107.1472	1.057	9	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]O)(CC[6]HH)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]O)(CC[6]HH)(H){1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]3)	106.6620	0.000	1	107.5853	0.639	3	107.1472	1.057	9	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]2H)(C[6]O[6]O)(CC[6a]CH)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<1>,2|O<2>}	C[6](C[6]C[6]2H)(C[6]O[6]O)(CC[6a]CH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]3)	107.5550	0.000	1	107.5550	0.000	1	107.1472	1.057	9	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]2H)(C[6]O[6]O)(CC[6a]HO)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<1>,2|O<2>}	C[6](C[6]C[6]2H)(C[6]O[6]O)(CC[6a]HO)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]3)	107.6160	0.117	3	107.6160	0.014	3	107.1472	1.057	9	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]O)(CCHO)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)2(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6]2H)(C[6]C[6]O)(CCHO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]3)	106.2380	0.000	1	106.2380	0.000	1	107.1472	1.057	9	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]B[6]HH)(C[6]C[6]CH)(PC[6a]3)(H)	C[6](C[6]C[6]HP)(C[6]C[6]C)(CC[6a]HH)(H)	H(C[6]C[6]2P)	C[6](C[6]B[6]HH)(C[6]C[6]CH)(PC[6a]3)(H){1|C<4>,3|C<3>}	C[6](C[6]C[6]HP)(C[6]C[6]C)(CC[6a]HH)(H){1|B<4>,4|H<1>}	H(C[6]C[6]2P)	106.8600	0.000	1	106.8600	0.000	1	106.8600	0.000	1	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]HH)(SC[6a]OO)(H)	C[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]HS)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]HH)(SC[6a]OO)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]2S)	109.3680	0.000	1	109.3680	0.000	1	109.3680	0.000	1	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]C)	107.9590	0.000	1	107.4670	0.484	2	107.4670	0.484	2	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H){1|H<1>,3|C<4>}	H(C[6]C[6]N[6]C)	106.9750	0.000	1	107.4670	0.484	2	107.4670	0.484	2	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]S)(CCHH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]CH)(N[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]S)(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	107.8990	0.000	1	107.8990	0.000	1	107.8990	0.000	1	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:1:	4:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]C)	107.6310	0.847	2	107.6310	0.718	2	107.6310	0.718	2	107.2041	1.194	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O[6]H)(C[6]C[6]CO)(H)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(OH)	H(C[6]C[6,6]C[6]2)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O[6]H)(C[6]C[6]CO)(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(OH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]2)	104.0330	0.000	1	104.0330	0.000	1	104.0330	0.000	1	106.3150	4.275	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HN)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(OC)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]C[6]HN)(CH3)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(OC){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2C)	106.8480	0.000	1	106.8480	0.000	1	106.8480	0.000	1	106.3150	4.275	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:2:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6]HH)(SC[6a]OO)(H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HS)(OH)	H(C[6]C[6]2S)	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6]HH)(SC[6a]OO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HS)(OH){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2S)	108.0640	0.000	1	108.0640	0.000	1	108.0640	0.000	1	106.3150	4.275	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:3:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)(CCH)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	106.3010	0.000	1	106.3010	0.000	1	106.3010	0.000	1	106.1585	0.539	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:3:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)(CCO)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)(CCO){1|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.7450	0.000	1	106.7450	0.000	1	106.6210	0.031	2	106.1585	0.539	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:3:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(COO)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(COO){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.4970	0.000	1	106.4970	0.000	1	106.6210	0.031	2	106.1585	0.539	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:3:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(CCHH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(CCH)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(CCH){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	105.0910	0.000	1	105.0910	0.000	1	105.0910	0.000	1	106.1585	0.539	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CCHH)(CH3)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CC)(CCHH)(H){1|O<1>,2|O<2>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CCHH)(CH3){2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]C)	106.8180	0.000	1	106.8180	0.000	1	106.5790	5.239	7	106.3530	5.102	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]C)	111.6190	0.000	1	106.8360	7.181	5	106.5790	5.239	7	106.3530	5.102	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]C)	105.5315	0.211	2	106.8360	7.181	5	106.5790	5.239	7	106.3530	5.102	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CC)(CCHH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]C)	105.7490	0.194	2	106.8360	7.181	5	106.5790	5.239	7	106.3530	5.102	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CC)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]C)	105.0550	0.000	1	105.0550	0.000	1	106.5790	5.239	7	106.3530	5.102	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[5,6]O)(CCHH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[5,6]O)(CCHH)(CH3){2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]C)	102.9680	0.000	1	102.9680	0.000	1	104.3208	1.499	4	106.3530	5.102	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(CH3)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHO)(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	104.6070	0.000	1	104.6070	0.000	1	104.3208	1.499	4	106.3530	5.102	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]C)	103.8500	0.000	1	103.8500	0.000	1	104.3208	1.499	4	106.3530	5.102	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(CH3)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H){2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	105.8580	0.000	1	105.8580	0.000	1	104.3208	1.499	4	106.3530	5.102	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[5a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]N[5a])(C[6]C[6]CH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]N[5a])(C[6]C[6]CH)(CH3){2|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6]2C)	106.5360	0.000	1	106.5360	0.000	1	106.5360	0.000	1	106.3530	5.102	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	104.2730	0.000	1	104.2730	0.000	1	106.9511	5.930	21	106.3530	5.102	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	105.5387	0.521	3	105.5387	0.272	3	106.9511	5.930	21	106.3530	5.102	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	106.8730	0.182	2	106.8730	0.033	2	106.9511	5.930	21	106.3530	5.102	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHO)(H){1|C<4>,2|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2C)	107.5960	0.000	1	107.5960	0.000	1	106.9511	5.930	21	106.3530	5.102	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[5]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[5]HH)(H){1|C<4>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	105.4560	0.000	1	105.4560	0.000	1	106.9511	5.930	21	106.3530	5.102	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2{2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.3320	0.000	1	107.5410	2.923	2	106.9511	5.930	21	106.3530	5.102	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.7500	0.000	1	107.5410	2.923	2	106.9511	5.930	21	106.3530	5.102	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2{2|C<4>,2|H<1>}	H(C[6]C[6]2C)	116.5920	0.000	1	116.5920	0.000	1	106.9511	5.930	21	106.3530	5.102	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CHHO)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CHHO)(CH3){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	105.4690	0.000	1	105.4690	0.000	1	106.9511	5.930	21	106.3530	5.102	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(CH3){1|C<3>,3|H<1>}	H(C[6]C[6]2C)	106.8215	0.013	2	106.8215	0.000	2	106.9511	5.930	21	106.3530	5.102	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]I)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|I<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]I)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.0400	0.000	1	107.0400	0.000	1	106.9511	5.930	21	106.3530	5.102	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HH)(CH3){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.9760	0.000	1	106.9760	0.000	1	106.9511	5.930	21	106.3530	5.102	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HO)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HO)(CH3){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.1310	0.000	1	107.1310	0.000	1	106.9511	5.930	21	106.3530	5.102	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCl2H)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CHHN)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCl2H)(CH3){1|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.9810	0.000	1	107.9810	0.000	1	106.9511	5.930	21	106.3530	5.102	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CC[6]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CC[6]HO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2C)	106.5350	0.000	1	106.5350	0.000	1	106.9511	5.930	21	106.3530	5.102	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]N[6]HH)(CF3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]N[6]HH)(CF3)(H){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2{1|N<3>,4|H<1>}	H(C[6]C[6]2C)	105.8870	0.000	1	105.8870	0.000	1	106.9511	5.930	21	106.3530	5.102	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]In[6]HH)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]In[6]HH)(C[6]C[6]CC)(CCHH)(H){2|Br<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)2{1|In<4>,2|H<1>}	H(C[6]C[6]2C)	105.9500	0.000	1	105.9500	0.000	1	106.9511	5.930	21	106.3530	5.102	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:S-4:C-4:	C[6]-4:	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)(CCHH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)(CCHH){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.8960	0.148	2	105.4650	2.738	4	105.1250	1.920	6	106.3530	5.102	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:S-4:C-4:	C[6]-4:	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)(CCHH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)(CCHH){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	104.0340	0.000	2	105.4650	2.738	4	105.1250	1.920	6	106.3530	5.102	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:S-4:C-4:	C[6]-4:	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)(CC[5]HH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)(CC[5]HH){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	104.4450	0.000	2	104.4450	0.000	2	105.1250	1.920	6	106.3530	5.102	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:3:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(CC[6a]HH)(H)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(CBrCH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(CC[6a]HH)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(CBrCH){4|C<3>,4|H<1>}	H(C[6]C[6]2C)	107.5260	0.000	1	107.5260	0.000	1	107.5260	0.000	1	106.3530	5.102	40	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](BC[5]C[6]Cl)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2B)	C[6](BC[5]C[6]Cl)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2B)	106.2483	0.371	3	106.2483	0.138	3	106.1360	0.137	9	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](BC[6a]C[6]F)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2B)	C[6](BC[6a]C[6]F)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2B)	106.0798	0.392	6	106.0798	0.153	6	106.1360	0.137	9	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[4]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[4]C[6]N[4]2)(C[6]C[6]HH)2(H)	C[6](C[6]B[4]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]B[4]C[6]2)	C[6](B[4]C[6]N[4]2)(C[6]C[6]HH)2(H){2|C<3>,4|C<4>,5|H<1>}	C[6](C[6]B[4]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6]B[4]C[6]2)	106.2365	0.018	4	106.2365	0.000	4	106.2365	0.000	4	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[5]C[5,6a]C[6]N[5])(C[6]C[6]HH)2(H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]B[5]C[6]2)	C[6](B[5]C[5,6a]C[6]N[5])(C[6]C[6]HH)2(H){2|C<3>,5|H<1>,6|C<4>}	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,4|H<1>}	H(C[6]B[5]C[6]2)	104.3015	2.555	4	105.0125	5.463	8	105.0125	5.463	8	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[5]C[5,6a]C[6]N[5])(C[6]C[6]HH)2(H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]B[5]C[6]2)	C[6](B[5]C[5,6a]C[6]N[5])(C[6]C[6]HH)2(H){3|C<3>,4|C<4>,5|H<1>}	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]B[5]C[6]2)	105.7235	2.207	4	105.0125	5.463	8	105.0125	5.463	8	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[5a]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[5a]C[5a]N[5a]C[6])(C[6]C[6]HH)2(H)	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]B[5a]C[6]2)	C[6](B[5a]C[5a]N[5a]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|N<2>,1|N<3>,4|C<4>,4|H<1>}	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]B[5a]C[6]2)	105.2550	0.041	2	105.6108	0.183	5	106.2856	0.691	21	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[5a]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[5a]C[5a]N[5a]C[6])(C[6]C[6]HH)2(H)	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]B[5a]C[6]2)	C[6](B[5a]C[5a]N[5a]C[6])(C[6]C[6]HH)2(H){1|N<2>,1|N<3>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]B[5a]C[6]2)	105.8480	0.391	3	105.6108	0.183	5	106.2856	0.691	21	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[5a]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[5a]N[5,5a]N[5a]C[6])(C[6]C[6]HH)2(H)	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]B[5a]C[6]2)	C[6](B[5a]N[5,5a]N[5a]C[6])(C[6]C[6]HH)2(H){1|B<4>,1|C<3>,1|N<2>,1|N<3>,3|C<4>,5|H<1>}	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6]B[5a]C[6]2)	105.5680	0.156	4	105.9405	0.434	8	106.2856	0.691	21	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[5a]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[5a]N[5,5a]N[5a]C[6])(C[6]C[6]HH)2(H)	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]B[5a]C[6]2)	C[6](B[5a]N[5,5a]N[5a]C[6])(C[6]C[6]HH)2(H){1|B<4>,1|N<3>,2|N<2>,3|C<4>,5|H<1>}	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6]B[5a]C[6]2)	106.3130	0.786	4	105.9405	0.434	8	106.2856	0.691	21	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	B[5a]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[5a]N[5,5a]O[5a]C[6])(C[6]C[6]HH)2(H)	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]B[5a]C[6]2)	C[6](B[5a]N[5,5a]O[5a]C[6])(C[6]C[6]HH)2(H){1|N<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]B[5a]C[6]2)	107.0525	0.551	8	107.0525	0.303	8	106.2856	0.691	21	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](CB[6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](CB[6]C[6]C)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.9960	0.262	4	106.9960	0.069	4	106.9960	0.069	4	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[3,5,6]CH)(H)2	H(C[6]C[3,5,6]C[6]C)	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6]C[6,6]HH)(CH3)(H){1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[3,5,6]CH)(H)2{1|C<3>,1|O<2>,5|C<4>}	H(C[6]C[3,5,6]C[6]C)	107.7580	0.000	1	107.7580	0.000	1	107.7580	0.000	1	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[3,5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[3,5,6]C[6]C)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CCCH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[3,5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[3,5,6]C[6]C)	105.1840	0.000	1	105.1840	0.000	1	106.7934	1.973	8	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[3,5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[3,5,6]C[6]C)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CH3)(H){1|C<3>,1|S<4>,2|C<4>,5|H<1>}	C[6](C[6]C[3,5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[3,5,6]C[6]C)	106.0295	2.329	2	107.0233	1.808	7	106.7934	1.973	8	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[3,5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[3,5,6]C[6]C)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CH3)(H){3|C<4>,6|H<1>}	C[6](C[6]C[3,5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[3,5,6]C[6]C)	107.4208	0.816	5	107.0233	1.808	7	106.7934	1.973	8	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]HH)(CCCH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[3,6]CH)(H)2	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[3,6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[3,6]C[6]C)	107.7225	0.315	4	107.7225	0.099	4	107.7225	0.099	4	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]C)	108.6445	0.491	2	107.3116	1.091	7	107.8772	1.850	13	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CCCH)(H){3|C<4>,3|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]C)	106.7784	0.576	5	107.3116	1.091	7	107.8772	1.850	13	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]C)	108.1760	0.000	1	108.1760	0.000	1	107.8772	1.850	13	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,5,6]O[3]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[5,6]HN)(H)2	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3,5,6]O[3]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[3,6]CH)(C[6]C[5,6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]C)	110.7230	0.000	1	110.7230	0.000	1	107.8772	1.850	13	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(CCHO)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(CCHO)(H){1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[3,6]C[6]C)	109.4510	0.000	1	109.4510	0.000	1	107.8772	1.850	13	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CC3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CC3)(H){4|C<4>,5|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[3,6]C[6]C)	106.4440	0.000	1	106.4440	0.000	1	107.8772	1.850	13	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[3,6]CH)(C[6]O[6]HH)(H)2	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[6]C[3,6]CH)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[3,6]C[6]C)	108.6980	0.000	1	108.6980	0.000	1	107.8772	1.850	13	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]C)	107.7300	0.000	1	107.7300	0.000	1	107.8772	1.850	13	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3]C[3]N[3]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(H)2	H(C[6]C[3]C[6]2)	C[6](C[3]C[3]N[3]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,1|S<4>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[3]C[6]2)	107.4995	0.132	2	107.4995	0.017	2	109.3520	10.304	3	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]HH)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(H)2	H(C[6]C[3]C[6]2)	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,5|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[3]C[6]2)	113.0570	0.000	1	113.0570	0.000	1	109.3520	10.304	3	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3]C[3]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[3]C[6]H)(C[6]N[6]CH)(H)2	H(C[6]C[3]C[6]2)	C[6](C[3]C[3]2H)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]N[6]CH)(H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[6]C[3]C[6]2)	108.1710	0.000	1	108.1710	0.000	1	107.9703	9.245	7	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2	H(C[6]C[3]C[6]2)	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,5|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[3]C[6]2)	111.8210	0.000	1	107.9368	11.085	6	107.9703	9.245	7	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2	H(C[6]C[3]C[6]2)	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,5|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	H(C[6]C[3]C[6]2)	103.4600	0.000	1	107.9368	11.085	6	107.9703	9.245	7	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2	H(C[6]C[3]C[6]2)	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[3]C[6]2)	107.4930	0.000	1	107.9368	11.085	6	107.9703	9.245	7	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2	H(C[6]C[3]C[6]2)	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	H(C[6]C[3]C[6]2)	110.0790	0.610	2	107.9368	11.085	6	107.9703	9.245	7	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2	H(C[6]C[3]C[6]2)	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[3]C[6]2)	104.6890	0.000	1	107.9368	11.085	6	107.9703	9.245	7	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x4]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x4]C[4,4]3)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3x4]C[6]H)(H)2	H(C[6]C[3x4]C[6]2)	C[6](C[3x4]C[4,4]3)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){3|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3x4]C[6]H)(H)2{4|H<1>,7|C<4>}	H(C[6]C[3x4]C[6]2)	108.8000	0.000	1	108.8000	0.000	1	108.8000	0.000	1	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x4]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x4]C[4,4]3)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6]C[3x4]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[3x4]C[6]2)	C[6](C[3x4]C[4,4]3)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){3|C<4>,9|H<1>}	C[6](C[6]C[3x4]C[6]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[3x4]C[6]2)	105.9460	0.000	1	105.9460	0.000	1	105.9460	0.000	1	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]C)	C[6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[3x6]C[6]C)	107.1770	0.000	1	107.1770	0.000	1	106.8377	0.946	3	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[3x6]CH)(C[6]C[3x6]HH)(H)2	H(C[6]C[3x6]C[6]C)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[6](C[6]C[3x6]CH)(C[6]C[3x6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[3x6]C[6]C)	107.5950	0.000	1	107.5950	0.000	1	106.8377	0.946	3	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[5,4x6]N[3x6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[3x6]CH)(C[6]C[3x6]HH)(H)2	H(C[6]C[3x6]C[6]C)	C[6](C[3x6]C[5,4x6]N[3x6]H)(C[6]C[6]HH)(CCCH)(H){2|H<1>,5|C<4>}	C[6](C[6]C[3x6]CH)(C[6]C[3x6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[3x6]C[6]C)	105.7410	0.000	1	105.7410	0.000	1	106.8377	0.946	3	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[6,6,6a]C[6,6]O[6,6])(C[6]C[6]HH)2(H)	C[6](C[6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]2)	C[6](C[3x6]C[6,6,6a]C[6,6]O[6,6])(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[3x6]C[6]2)	106.9795	0.230	4	106.9795	0.053	4	106.9656	0.041	5	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[6,6]2O[6,6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]2)	C[6](C[3x6]C[6,6]2O[6,6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[6](C[6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]2)	106.9100	0.000	1	106.9100	0.000	1	106.9656	0.041	5	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6]C[3x6]HS)(C[6]C[6,6]HH)(H)2	H(C[6]C[3x6]C[6]S)	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]HH)(SC[6a]OO)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[3x6]HS)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[3x6]C[6]S)	111.6090	0.000	1	111.6090	0.000	1	111.6090	0.000	1	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[4,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]C)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(CH3)(H){1|S<4>,3|C<4>,3|H<1>}	C[6](C[6]C[4,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]C)	106.3720	0.000	1	106.3720	0.000	1	106.3720	0.000	1	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[4]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4]B[5]C[4]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[4]C[6]2)	C[6](C[4]B[5]C[4]2)(C[6]C[6]HH)2(H){2|C<4>,2|O<2>,8|H<1>}	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2{1|B<3>,3|C<4>,4|H<1>}	H(C[6]C[4]C[6]2)	107.0377	0.218	11	107.0377	0.048	11	107.5826	2.706	24	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[4]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4]C[4]N[4]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[4]C[6]2)	C[6](C[4]C[4]N[4]H)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[4]C[6]2)	108.6137	4.087	4	108.5714	12.534	5	107.5826	2.706	24	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[4]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4]C[4]N[4]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[4]C[6]2)	C[6](C[4]C[4]N[4]H)(C[6]C[6]HH)2(H){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[4]C[6]2)	108.4020	0.000	1	108.5714	12.534	5	107.5826	2.706	24	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[4]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4]C[4]O[4]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[4]C[6]2)	C[6](C[4]C[4]O[4]H)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[4]C[6]2)	106.7705	0.025	2	106.7705	0.001	2	107.5826	2.706	24	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[4]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4]C[4]P[4]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[4]C[6]2)	C[6](C[4]C[4]P[4]H)(C[6]C[6]HH)2(H){1|B<4>,3|C<4>,6|H<1>}	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2{1|P<4>,2|C<4>,5|H<1>}	H(C[6]C[4]C[6]2)	107.7290	0.013	2	108.0283	0.192	6	107.5826	2.706	24	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[4]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4]C[4]P[4]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[4]C[6]2)	C[6](C[4]C[4]P[4]H)(C[6]C[6]HH)2(H){1|Ru<9>,3|C<4>,6|H<1>}	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2{1|P<4>,2|C<4>,5|H<1>}	H(C[6]C[4]C[6]2)	108.1780	0.479	4	108.0283	0.192	6	107.5826	2.706	24	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,5,6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6,6]C[6]C)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<4>,3|O<2>,4|H<1>}	C[6](C[6]C[5,5,6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,5,6,6]C[6]C)	108.0845	0.018	2	108.0845	0.000	2	108.0845	0.000	2	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,5,6]CH)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,5,6]C[6]C)	C[6](C[5,5,6]C[5,5,6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H){1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[5,5,6]CH)(C[6]C[5,6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,5,6]C[6]C)	106.4560	0.000	1	106.4560	0.000	1	106.2635	0.074	2	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,5,6]CH)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,5,6]C[6]C)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]HH)(CCCH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,5,6]CH)(C[6]C[5,6]HO)(H)2{1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5,5,6]C[6]C)	106.0710	0.000	1	106.0710	0.000	1	106.2635	0.074	2	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5]C[5,5,6,6]C[5]2)(C[6]C[3x6]HO)(C[6]C[6]HH)(H)	C[6](C[6]C[5,5]C[6]H)(C[6]C[3x6]HH)(H)2	H(C[6]C[5,5]C[6]2)	C[6](C[5,5]C[5,5,6,6]C[5]2)(C[6]C[3x6]HO)(C[6]C[6]HH)(H){1|O<1>,2|O<2>,5|C<4>,5|H<1>}	C[6](C[6]C[5,5]C[6]H)(C[6]C[3x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,5]C[6]2)	105.0860	0.000	1	105.0860	0.000	1	106.7033	1.963	3	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,5]C[5,5]C[5]O[5])(C[6]C[6]HH)2(H)	C[6](C[6]C[5,5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,5]C[6]2)	C[6](C[5,5]C[5,5]C[5]O[5])(C[6]C[6]HH)2(H){3|C<4>,3|O<2>,6|H<1>}	C[6](C[6]C[5,5]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,5]C[6]2)	107.5120	0.047	2	107.5120	0.002	2	106.7033	1.963	3	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6]HH)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]CH)(H)2	H(C[6]C[5,6,6]C[6]C)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]CH)(H)2{2|C<4>,3|H<1>,3|O<2>}	H(C[6]C[5,6,6]C[6]C)	104.4480	0.000	1	104.4480	0.000	1	104.4480	0.000	1	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]S)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6,6]C[6]C)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]S)(C[6]C[6]HH)(CCHH)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6]CH)(H)2{1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]C)	107.1010	0.000	1	107.1010	0.000	1	106.6558	1.150	15	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]C)	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6,6]C[6]C)	107.0020	0.000	1	107.0020	0.000	1	106.6558	1.150	15	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]O[5,6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]C)	C[6](C[5,6,6]C[5,6]C[6,6]O[5,6])(C[6]C[6]HH)(CH3)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6,6]C[6]C)	108.6190	0.000	1	108.6190	0.000	1	106.6558	1.150	15	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]C)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(H){1|O<2>,3|H<1>,5|C<4>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6,6]C[6]C)	105.9470	0.000	1	105.9470	0.000	1	106.6558	1.150	15	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[5,6,6]C[6]C)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(H){1|O<2>,3|H<1>,5|C<4>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6,6]C[6]C)	105.1750	0.000	1	105.6612	0.282	5	106.6558	1.150	15	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[5,6,6]C[6]C)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(H){2|H<1>,2|O<2>,5|C<4>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6,6]C[6]C)	105.7827	0.527	4	105.6612	0.282	5	106.6558	1.150	15	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]N[6,6]O[5])(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]C)	C[6](C[5,6,6]C[5,6]N[6,6]O[5])(C[6]C[6]HH)(CHHO)(H){4|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[5,6,6]C[6]C)	106.6493	0.974	3	106.6493	0.949	3	106.6558	1.150	15	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]C)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(CH3)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5,6,6]C[6]C)	108.2500	0.000	1	108.2500	0.000	1	106.6558	1.150	15	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]C)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(CHHO)(H){4|H<1>,5|C<4>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6,6]C[6]C)	107.3320	0.038	2	107.3320	0.001	2	106.6558	1.150	15	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[3x4]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[3x4]C[4,4]3)(C[6]C[6]HH)(H)	C[6](C[6]C[3x4]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[3x4]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[3x4]C[4,4]3)(C[6]C[6]HH)(H){11|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[3x4]C[5,6]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[3x4]C[5,6]C[6])	106.9080	0.000	1	106.9080	0.000	1	106.9080	0.000	1	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[5]C[5]N[5]H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[5]C[6])	C[6](C[5,6]C[6]O[5]2)(C[5]C[5]N[5]H)(C[6]C[6]HH)(H){1|N<2>,1|S<4>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[5,6]C[5]C[6])	105.8890	0.000	1	105.8890	0.000	1	105.8890	0.000	1	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[5,5,6]HH)(CH3)(H)	C[6](C[5,5,6]C[3x5,6]C[5]O[5])(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[5,5,6]HH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,5,6]C[3x5,6]C[5]O[5])(C[6]C[5,6]CH)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]C)	107.5025	0.025	2	107.5025	0.001	2	107.5025	0.001	2	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[5,6,6]HH)(CH3)(H)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[5,6,6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[5,6]CH)(H)2{2|C<4>,3|C<3>,3|O<2>}	H(C[6]C[5,6]C[6]C)	106.3810	0.000	1	106.3810	0.000	1	106.3810	0.000	1	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[5,6]HH)(CH3)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[5,6]HH)(CH3)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]CH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]C)	106.7120	0.000	1	106.7120	0.000	1	106.8962	2.405	14	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(CH3)(H)	C[6](C[5,6]C[5,5,6]O[5]O)(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(CH3)(H){1|H<1>,2|O<2>,5|C<4>}	C[6](C[5,6]C[5,5,6]O[5]O)(C[6]C[5,6]CH)(H)2{1|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]C)	105.3787	0.307	4	105.3787	0.094	4	106.8962	2.405	14	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[6]O[5])(C[6]C[5,6]HH)(CCCH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,5]C[6]O[5])(C[6]C[5,6]HH)(CCCH)(H){1|C<3>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]CH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]C)	107.3730	0.000	1	107.3730	0.000	1	106.8962	2.405	14	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[5,6]HH)(CH3)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[5,6]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]CH)(H)2{1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]C)	108.0210	0.000	1	108.0210	0.000	1	106.8962	2.405	14	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[5,6]HH)(CH3)(H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]2C)(C[6]C[5,6]HH)(CH3)(H){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[5,6]CH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]C)	105.3670	0.291	2	105.3670	0.085	2	106.8962	2.405	14	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(CH3)(H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(CH3)(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[5,6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	108.9630	0.000	1	109.2995	0.226	2	106.8962	2.405	14	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(CH3)(H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(CH3)(H){1|H<1>,2|O<2>,5|C<4>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[5,6]CH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]C)	109.6360	0.000	1	109.2995	0.226	2	106.8962	2.405	14	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(CH3)(H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(CH3)(H){1|H<1>,2|O<2>,5|C<4>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[5,6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]C)	108.2500	0.000	2	108.2500	0.000	2	106.8962	2.405	14	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[5,6]HH)(CH3)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[5,6]HH)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]CH)(H)2{1|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]C)	107.0930	0.000	1	107.0930	0.000	1	106.8962	2.405	14	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H){1|C<2>,1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]C)	106.5180	0.000	1	106.5180	0.000	1	107.3193	1.458	3	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H){1|C<2>,1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]C)	108.7080	0.000	1	107.7200	1.952	2	107.3193	1.458	3	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H){1|C<2>,1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]C)	106.7320	0.000	1	107.7200	1.952	2	107.3193	1.458	3	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]CH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]C)	107.1040	0.000	1	107.1040	0.000	1	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[3x6]HH)(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(CHHO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[5,6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.1200	0.000	1	107.1200	0.000	1	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]C)	106.7100	0.000	1	106.7100	0.000	1	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]C)	107.5330	0.000	1	107.5330	0.000	1	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]C)	108.2230	0.000	1	108.2230	0.000	1	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]C)	105.4220	0.000	1	105.4220	0.000	1	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[6]O[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,5]C[6]O[5])(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<4>,2|N<3>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]C)	108.2145	0.592	2	108.2145	0.350	2	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CC3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CC3)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2{5|C<4>}	H(C[6]C[5,6]C[6]C)	105.0480	0.000	1	105.0480	0.000	1	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CCCH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[5,6]C[6]C)	105.8440	0.281	3	105.8440	0.079	3	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CCHH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]CH)(H)2{2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]C)	106.2150	0.000	2	106.2150	0.000	2	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]C)	107.5050	0.000	1	107.5050	0.000	1	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]C)	106.7930	0.000	1	106.7930	0.000	1	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]O[6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]C)	109.0180	0.000	1	109.0180	0.000	1	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]C)	104.8205	0.028	2	104.7836	0.224	17	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]C)	104.7045	0.070	2	104.7836	0.224	17	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H){1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]C)	105.4128	0.120	4	104.7836	0.224	17	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]C)	104.6090	0.523	5	104.7836	0.224	17	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H){2|C<4>,6|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]C)	104.3937	0.163	4	104.7836	0.224	17	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]HO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]HO)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]C)	105.2180	0.000	1	105.2180	0.000	1	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]C)	107.2370	0.000	1	107.0275	0.088	2	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[6a]HH)(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]C)	106.8180	0.000	1	107.0275	0.088	2	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]C)	106.5400	0.000	1	106.5400	0.000	1	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]C)	106.6320	0.000	1	106.8421	0.137	7	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]C)	106.5140	0.000	1	106.8421	0.137	7	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	106.6450	0.000	1	106.8421	0.137	7	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|Si<4>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]C)	107.3720	0.000	1	106.8421	0.137	7	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|N<2>,3|C<4>}	H(C[6]C[5,6]C[6]C)	107.3830	0.000	1	106.8421	0.137	7	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){3|C<3>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]C)	106.6880	0.000	1	106.8421	0.137	7	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]C)	106.6610	0.000	1	106.8421	0.137	7	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.3220	0.204	3	107.3220	0.042	3	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]C)	107.5240	0.321	2	107.0099	0.156	7	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]C)	106.6835	0.153	2	107.0099	0.156	7	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]C)	106.9430	0.000	1	107.0099	0.156	7	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]C)	106.9410	0.000	1	107.0099	0.156	7	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]C)	106.7700	0.000	1	107.0099	0.156	7	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H){1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]C)	107.9175	0.409	2	107.9175	0.168	2	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]C)	107.8366	0.229	5	107.8366	0.052	5	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]C)	106.3800	0.315	2	106.3800	0.099	2	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]C)	108.7210	0.519	2	108.7210	0.269	2	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHO)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[5,6]C[6]C)	106.1320	0.000	1	106.1320	0.000	1	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHO)(H)	C[6](C[6]C[5,6]CH)2(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHO)(H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]CH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]C)	108.2783	0.524	3	108.2783	0.274	3	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]C)	107.3810	0.000	1	107.3810	0.000	1	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]C)	108.9177	0.125	3	108.7126	0.093	7	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]C)	108.5588	0.320	4	108.7126	0.093	7	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]C)	107.9200	0.083	2	107.9200	0.007	2	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.4150	0.000	1	107.4150	0.000	1	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	108.7490	0.000	1	108.7490	0.000	1	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[5,6]CH)2(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]CH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]C)	108.2080	0.000	1	108.2080	0.000	1	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(CH3)(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]C)	106.5590	0.000	1	106.5590	0.000	1	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]HH)(CCHH)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	108.7200	0.000	1	108.7200	0.000	1	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]C)	107.9810	0.000	2	107.9810	0.000	2	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(CH3)(H){1|C<3>,3|H<1>,5|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	105.6490	1.447	2	105.6490	2.093	2	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]C)	104.9520	0.000	1	104.9520	0.000	1	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CH3)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[5,6]C[6]C)	108.3720	0.154	2	108.3720	0.024	2	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(CCHH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	106.3400	0.000	1	106.3400	0.000	1	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.2715	0.070	2	107.2715	0.005	2	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CC[5]CC)(H)	C[6](C[6]C[5,6]ClH)(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CC[5]CC)(H){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5,6]ClH)(C[6]C[5,6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.2570	0.000	1	107.2570	0.000	1	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(CHHN)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]C)	105.1040	0.000	1	105.1040	0.000	1	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CHHO)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]C)	106.8750	0.000	1	106.8750	0.000	1	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]HH)(CHHO)(H){1|C<2>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]C)	106.5010	0.000	1	106.5010	0.000	1	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]N[5,6]O)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]N[5,6]O)(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]C)	108.2300	0.000	1	108.2300	0.000	1	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H){1|C<2>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]C)	105.0815	0.156	4	104.4199	0.629	10	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]C)	103.4645	1.012	2	104.4199	0.629	10	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H){1|Ga<4>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]C)	103.6250	0.000	1	104.4199	0.629	10	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H){1|N<3>,1|P<3>,2|C<4>,7|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]C)	104.2370	0.322	2	104.4199	0.629	10	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H){2|C<4>,2|N<3>,7|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]C)	104.8450	0.000	1	104.4199	0.629	10	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<1>,2|N<3>,6|H<1>}	C[6](C[6]C[5,6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>}	H(C[6]C[5,6]C[6]C)	108.4920	0.000	1	108.4920	0.000	1	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	106.5100	0.000	1	106.5100	0.000	1	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]C)	107.5030	0.000	1	107.1995	0.184	2	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(H){1|O<2>,4|C<4>,6|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]C)	106.8960	0.000	1	107.1995	0.184	2	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CHHO)(H){1|O<2>,4|C<4>,6|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]C)	106.7770	0.000	1	106.7770	0.000	1	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(CC[5a]CH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(CC[5a]CH)(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]C)	108.2420	0.000	1	108.2420	0.000	1	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CC3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CC3)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	104.7980	0.238	2	104.7980	0.056	2	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCHH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	106.8100	0.000	1	106.8100	0.000	1	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	106.4120	0.000	1	106.4120	0.000	1	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(CH3)(H){3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2{2|C<4>,3|O<2>}	H(C[6]C[5,6]C[6]C)	107.2590	0.000	1	107.2590	0.000	1	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CCCO)(H){2|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(H)2{1|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]C)	105.9650	0.000	1	105.9650	0.000	1	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3)(H){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]CH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]C)	106.4800	0.000	1	106.4800	0.000	1	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(H)2{2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]C)	107.0860	0.737	3	107.0860	0.543	3	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]C)	105.7127	0.142	3	107.0728	0.862	11	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]C)	107.6539	0.333	7	107.0728	0.862	11	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H){4|H<1>,5|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]C)	107.0860	0.000	1	107.0728	0.862	11	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6,6a]C[5]S[5])(C[6]C[6]HH)(CF3)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[6,6a]C[5]S[5])(C[6]C[6]HH)(CF3)(H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]CH)(H)2{1|C<4>,1|S<2>,2|C<3>}	H(C[6]C[5,6]C[6]C)	107.4770	0.000	1	107.4770	0.000	1	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(CC3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(CC3)(H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[5,6]C[6]C)	105.0520	0.349	2	105.0520	0.122	2	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.4860	0.194	2	107.4860	0.038	2	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCCH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]C)	105.9760	0.136	3	105.9760	0.019	3	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[5,6]C[6]C)	104.9780	0.157	2	104.9780	0.025	2	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,5]C[6]N[5])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]N[5,5]C[6]N[5])(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|N<3>}	H(C[6]C[5,6]C[6]C)	106.1605	1.462	2	106.1605	2.136	2	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]CI)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(H){1|I<1>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]CI)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	108.6590	0.000	1	108.6590	0.000	1	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(CHHO)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	108.4685	3.625	2	108.4685	13.143	2	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	109.0210	0.000	1	109.0210	0.000	1	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[6a]O[5])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]N[5,6]C[6a]O[5])(C[6]C[6]HH)(CCHH)(H){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[5,6]C[6]C)	107.4675	0.127	2	107.4675	0.016	2	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HO)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]C)	108.6050	0.000	1	108.6050	0.000	1	106.7173	2.075	156	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,3x6]C[5,6]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]2)	C[6](C[5,6]C[5,3x6]C[5,6]H)(C[6]C[6]HH)2(H){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]2)	108.2635	0.073	2	108.2635	0.005	2	107.3934	1.014	5	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6]O)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]2)	C[6](C[5,6]C[5,5,6]C[5,6]O)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,5|C<4>,5|H<1>}	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]2)	107.8220	0.000	1	107.8220	0.000	1	107.3934	1.014	5	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)2(H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]2)	C[6](C[5,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,3|C<4>,9|H<1>}	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]2)	106.3090	0.027	2	106.3090	0.001	2	107.3934	1.014	5	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(NRuCC)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]N)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(NRuCC)(H){1|P<4>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2{1|Fe<10>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]N)	104.7560	0.000	1	104.7560	0.000	1	104.7560	0.000	1	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(PC[6a]2S)(H)	C[6](C[6]C[5,6]HP)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]P)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(PC[6a]2S)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HP)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]P)	106.2973	0.177	3	106.2973	0.031	3	106.2973	0.031	3	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:S-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(SC[6a]OO)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HS)(H)2	H(C[6]C[5,6]C[6]S)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(SC[6a]OO)(H){3|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HS)(H)2{1|N<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]S)	108.1030	0.000	1	108.1030	0.000	1	108.1030	0.000	1	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(SiC[6a]CC)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]SiH)(H)2	H(C[6]C[5,6]C[6]Si)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(SiC[6a]CC)(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]SiH)(H)2{5|C<4>}	H(C[6]C[5,6]C[6]Si)	104.3220	0.000	2	104.3220	0.000	2	105.4803	0.852	9	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(SiC[6a]CC)(H)	C[6](C[6]C[5,6]SiH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]Si)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(SiC[6a]CC)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]SiH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]Si)	106.8955	0.275	2	106.8955	0.076	2	105.4803	0.852	9	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(SiC3)(H)	C[6](C[6]C[5,6]SiH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]Si)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(SiC3)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]SiH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]Si)	105.3640	0.000	3	105.3776	0.000	5	105.4803	0.852	9	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(SiC3)(H)	C[6](C[6]C[5,6]SiH)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]Si)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(SiC3)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]SiH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[5,6]C[6]Si)	105.3980	0.000	2	105.3776	0.000	5	105.4803	0.852	9	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]O[5]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5]C[6]H)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]O[5]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|O<2>,4|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5]C[6]H)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5]C[6]2)	107.9050	0.000	1	107.9050	0.000	1	107.9050	0.000	1	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]O[5]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6]S[6]2)(C[6]C[5]C[6]H)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]O[5]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|S<2>,3|H<1>}	C[6](C[6,6]C[6]S[6]2)(C[6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[5]C[6]2)	107.2020	0.000	1	107.2020	0.000	1	107.2020	0.000	1	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]B[5]C[5]C)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]B[5]C[5]C)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,1|P<4>,2|C<4>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|B<3>,1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5]C[6]2)	107.5390	0.020	2	107.5390	0.000	2	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]B[5]N[5]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]B[5]N[5]H)(C[6]C[6]HH)2(H){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|B<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[5]C[6]2)	107.6410	0.000	1	107.6410	0.000	1	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[3x5]C[5]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[3x5]C[5]H)(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[5]C[6]2)	107.8967	0.392	3	107.8967	0.154	3	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[4,5]O[5]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[4,5]O[5]H)(C[6]C[6]HH)2(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[5]C[6]2)	108.0225	0.035	2	108.0225	0.001	2	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5]C[6]2)	107.7017	1.097	6	107.7017	1.204	6	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]HH)2(H){1|N<3>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[5]C[6]2)	107.4705	0.087	2	107.4705	0.008	2	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5,6]C[5]Co)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6]C[5]Co)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Co<10>,3|C<4>,4|H<1>}	H(C[6]C[5]C[6]2)	107.6617	0.046	3	107.6617	0.002	3	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5,6]C[5]Fe)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6]C[5]Fe)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Fe<10>,3|C<4>,4|H<1>}	H(C[6]C[5]C[6]2)	107.4613	0.914	7	107.4613	0.836	7	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CO)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]CO)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[5]C[6]2)	109.1460	0.000	1	109.1460	0.000	1	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|O<2>,3|H<1>,5|C<4>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5]C[6]2)	107.9625	0.204	2	107.9625	0.042	2	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[5]C[6]2)	108.4630	0.016	2	108.4630	0.000	2	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5,6]C[5]Mn)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6]C[5]Mn)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Mn<10>,3|C<4>,4|H<1>}	H(C[6]C[5]C[6]2)	107.3755	0.475	13	107.3755	0.226	13	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5,6]C[5]Rh)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6]C[5]Rh)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2{1|Rh<8>,3|H<1>,4|C<4>}	H(C[6]C[5]C[6]2)	105.7420	0.000	1	105.7420	0.000	1	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5,6]C[5]Zr)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6]C[5]Zr)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Zr<12>,3|C<4>,4|H<1>}	H(C[6]C[5]C[6]2)	107.2472	0.104	8	107.2472	0.011	8	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[5]C[6]2)	106.4830	0.000	1	106.4830	0.000	1	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5,6a]C[5,6]C)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]C[5,6]C)(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5]C[6]2)	106.2855	0.874	6	105.0098	12.029	7	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5,6a]C[5,6]C)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]C[5,6]C)(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[5]C[6]2)	97.3555	0.000	1	105.0098	12.029	7	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5,6a]C[5]C[6])(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]C[5]C[6])(C[6]C[6]HH)2(H){3|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5]C[6]2)	106.7138	0.285	4	106.7138	0.081	4	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)2(H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[5]C[6]2)	107.0583	0.284	4	107.2067	0.101	6	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)2(H){1|S<4>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[5]C[6]2)	107.5035	0.005	2	107.2067	0.101	6	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5,6a]C[6a]C[5])(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]C[6a]C[5])(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[5]C[6]2)	107.5720	0.000	1	107.5720	0.000	1	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[5a,6]HO)(C[6]C[6]HH)(H)	C[6](C[6]C[5]C[6]H)(C[6]N[5a,6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[5a,6]HO)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,5|C<3>}	C[6](C[6]C[5]C[6]H)(C[6]N[5a,6]HH)(H)2{1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5]C[6]2)	108.2050	0.000	1	108.2050	0.000	1	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6,6a]HO)(C[6]C[6]HH)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6,6a]HO)(C[6]C[6]HH)(H){2|H<1>,6|C<3>}	C[6](C[6]C[5]C[6]H)(C[6]C[6,6a]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5]C[6]2)	107.6405	0.087	2	107.6405	0.008	2	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[5]C[6]2)	107.9110	0.000	1	107.9110	0.000	1	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6]C[5]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[5]C[6]2)	107.1320	0.000	1	107.1320	0.000	1	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5,6a]N[5]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]N[5]H)(C[6]C[6]HH)2(H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[5]C[6]2)	106.6875	0.025	2	106.6875	0.001	2	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]2C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]2C)(C[6]C[6]HH)(C[6]C[6]HO)(H){3|C<4>,8|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5]C[6]2)	106.2875	0.841	2	106.2875	0.707	2	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]2Cr)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]2Cr)(C[6]C[6]HH)2(H){1|N<4>,2|C<4>,6|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2{1|Cr<8>,2|H<1>,4|C<4>}	H(C[6]C[5]C[6]2)	108.4875	0.028	2	108.4875	0.001	2	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]2Fe)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[5]C[6]H)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]2Fe)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]N[5a]O[6]H)(C[6]C[5]C[6]H)(H)2{1|Fe<10>,1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[5]C[6]2)	108.6160	0.000	1	108.6160	0.000	1	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]2Fe)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]2Fe)(C[6]C[6]HH)2(H){1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2{1|Fe<10>,2|H<1>,4|C<4>}	H(C[6]C[5]C[6]2)	108.0480	0.036	4	107.9491	0.438	10	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]2Fe)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]2Fe)(C[6]C[6]HH)2(H){1|N<4>,2|C<4>,6|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2{1|Fe<10>,3|H<1>,4|C<4>}	H(C[6]C[5]C[6]2)	107.8832	0.880	6	107.9491	0.438	10	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]2H)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[5]C[6]2)	107.9485	3.842	2	107.6780	5.552	4	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]2H)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,2|F<1>,6|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[5]C[6]2)	107.4075	1.266	2	107.6780	5.552	4	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]2Hf)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]2Hf)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2{1|Hf<12>,3|H<1>,4|C<4>}	H(C[6]C[5]C[6]2)	107.8800	0.222	2	107.8800	0.049	2	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]2Mo)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]2Mo)(C[6]C[6]HH)2(H){3|C<4>,6|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Mo<9>,3|C<4>,4|H<1>}	H(C[6]C[5]C[6]2)	107.4940	0.008	2	107.6097	0.023	6	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]2Mo)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]2Mo)(C[6]C[6]HH)2(H){4|C<4>,5|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Mo<9>,3|C<4>,4|H<1>}	H(C[6]C[5]C[6]2)	107.6675	0.160	4	107.6097	0.023	6	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]2Ti)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]2Ti)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2{1|Ti<12>,3|H<1>,4|C<4>}	H(C[6]C[5]C[6]2)	107.9245	0.383	2	107.9245	0.146	2	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]2Ti)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]2Ti)(C[6]C[6]HH)2(H){1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2{1|Ti<12>,2|H<1>,4|C<4>}	H(C[6]C[5]C[6]2)	108.0590	0.416	4	108.1573	0.138	8	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]2Ti)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]2Ti)(C[6]C[6]HH)2(H){1|N<4>,2|C<4>,6|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2{1|Ti<12>,3|H<1>,4|C<4>}	H(C[6]C[5]C[6]2)	108.2555	0.351	4	108.1573	0.138	8	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]2V)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]2V)(C[6]C[6]HH)2(H){1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2{1|V<10>,2|H<1>,4|C<4>}	H(C[6]C[5]C[6]2)	107.2320	0.033	4	107.6593	0.107	14	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]2V)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]2V)(C[6]C[6]HH)2(H){1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2{1|V<11>,2|H<1>,4|C<4>}	H(C[6]C[5]C[6]2)	107.7810	0.197	8	107.6593	0.107	14	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]2V)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]2V)(C[6]C[6]HH)2(H){1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2{1|V<9>,2|H<1>,4|C<4>}	H(C[6]C[5]C[6]2)	108.0270	0.025	2	107.6593	0.107	14	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]2Zr)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]2Zr)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2{1|Zr<12>,3|H<1>,4|C<4>}	H(C[6]C[5]C[6]2)	107.7340	0.158	2	107.6495	0.018	4	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]2Zr)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]2Zr)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2{1|Zr<14>,3|H<1>,4|C<4>}	H(C[6]C[5]C[6]2)	107.5650	0.020	2	107.6495	0.018	4	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H){1|C<2>,1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[5]C[6]2)	107.8640	0.931	2	107.0452	0.413	21	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[5]C[6]2)	106.4122	0.457	5	107.0452	0.413	21	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H){1|C<3>,1|S<4>,3|C<4>,5|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[5]C[6]2)	106.6610	0.021	2	107.0452	0.413	21	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[5]C[6]2)	107.7845	0.015	2	107.0452	0.413	21	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H){1|N<3>,1|P<4>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[5]C[6]2)	107.4510	0.512	4	107.0452	0.413	21	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(H){1|S<4>,4|C<4>,5|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[5]C[6]2)	106.9108	0.235	6	107.0452	0.413	21	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]O[5]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[3,6]HO)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]O[5]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|O<2>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[3,6]HO)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5]C[6]2)	107.8950	0.000	1	107.8950	0.000	1	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5]C[6]2)	106.7720	0.020	2	106.7720	0.000	2	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]O[5]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]O[5]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|S<2>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[5]C[6]2)	107.1220	0.000	1	107.1220	0.000	1	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)2(H){1|B<4>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[5]C[6]2)	107.7487	0.042	3	108.1714	0.336	5	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)2(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[5]C[6]2)	108.8055	0.021	2	108.1714	0.336	5	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]P[5]Os)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]P[5]Os)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Os<11>,1|P<5>,2|C<4>,4|H<1>}	H(C[6]C[5]C[6]2)	106.8763	1.058	7	107.3595	1.088	19	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]P[5]Os)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]P[5]Os)(C[6]C[6]HH)2(H){3|C<4>,5|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Os<10>,1|P<3>,2|C<4>,4|H<1>}	H(C[6]C[5]C[6]2)	107.1942	1.540	4	107.3595	1.088	19	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]P[5]Os)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]P[5]Os)(C[6]C[6]HH)2(H){3|C<4>,5|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Os<11>,1|P<3>,2|C<4>,4|H<1>}	H(C[6]C[5]C[6]2)	107.8649	0.530	8	107.3595	1.088	19	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]P[5]Ru)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]P[5]Ru)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Ru<11>,1|P<5>,2|C<4>,4|H<1>}	H(C[6]C[5]C[6]2)	107.3510	0.780	4	107.5279	0.450	8	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]P[5]Ru)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]P[5]Ru)(C[6]C[6]HH)2(H){3|C<4>,5|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Ru<11>,1|P<3>,2|C<4>,4|H<1>}	H(C[6]C[5]C[6]2)	107.7048	0.598	4	107.5279	0.450	8	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]S[5]C)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]S[5]C)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,4|H<1>}	H(C[6]C[5]C[6]2)	106.2940	0.000	1	106.2940	0.000	1	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]N[5]O[5]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]N[5]O[5]H)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(C[6]C[5]C[6]2)	108.4705	0.228	2	108.4705	0.052	2	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]N[5]S[5]C)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]N[5]S[5]C)(C[6]C[6]HH)2(H){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[5]C[6]2)	107.1400	0.000	1	107.1400	0.000	1	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]O[5]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[5]O[5]2H)(C[6]C[6]HH)2(H){3|C<4>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|O<2>,5|H<1>}	H(C[6]C[5]C[6]2)	108.0350	0.013	3	108.0350	0.000	3	107.4352	1.158	198	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5]O[5]C)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[5]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5]O[5]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	C[6](C[6]C[6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[5]C[6])	106.8190	0.000	1	106.8190	0.000	1	106.2695	0.604	2	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[5]O[5]2H)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[5]C[6])	C[6](C[6,6]C[6]2O[6])(C[5]O[5]2H)(C[6]C[6]HH)(H){5|H<1>,6|C<4>}	C[6](C[6]C[6,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>,3|O<2>}	H(C[6]C[6,6]C[5]C[6])	105.7200	0.000	1	105.7200	0.000	1	106.2695	0.604	2	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[3,6]HH)(CH3)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[3,6]HH)(CH3)(H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]C)	108.4430	0.000	1	108.4430	0.000	1	107.9800	0.429	2	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(CCCH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(CCCH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	107.5170	0.000	1	107.5170	0.000	1	107.9800	0.429	2	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(CH3)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]CH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.7170	0.000	1	107.7170	0.000	1	107.8443	0.019	3	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]2O[5])(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(CH3)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]2O[5])(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]C)	107.9080	0.113	2	107.9080	0.013	2	107.8443	0.019	3	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.4650	0.000	1	107.9718	0.277	4	107.0470	3.839	13	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	108.7020	0.000	1	107.9718	0.277	4	107.0470	3.839	13	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]CH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	107.8600	0.127	2	107.9718	0.277	4	107.0470	3.839	13	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	107.5387	0.390	3	107.5387	0.152	3	107.0470	3.839	13	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CH3)(H){2|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]C)	108.3630	0.000	1	108.3630	0.000	1	107.0470	3.839	13	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	108.7780	0.008	2	108.7780	0.000	2	107.0470	3.839	13	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(CCCH)(H){1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(H)2{2|C<4>,3|H<1>,3|O<2>}	H(C[6]C[6,6]C[6]C)	103.7297	0.151	3	103.7297	0.023	3	107.0470	3.839	13	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CHHN)(H)	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6]CH)(Br)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CHHN)(H){2|C<3>,3|H<1>,3|O<2>}	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6]CH)(Br)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]C)	108.1875	0.274	2	108.1875	0.075	2	108.1875	0.075	2	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(CH3)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(Cl)(H){1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]C)	106.8483	0.074	3	106.8483	0.005	3	106.8483	0.005	3	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]C)	106.3700	0.000	1	106.3700	0.000	1	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	106.9140	0.000	1	106.9140	0.000	1	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[3x6]HO)(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[3x6]HO)(C[6]C[6,6]CH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]C)	106.5600	0.000	1	106.5600	0.000	1	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]C)	107.5200	0.000	1	107.0760	0.394	2	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]C)	106.6320	0.000	1	107.0760	0.394	2	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]Cr)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]Cr)(C[6]C[6]HH)(CCHH)(H){3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|Cr<9>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	108.1815	0.292	4	108.1815	0.085	4	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]CH)2(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	107.4000	0.000	1	107.4000	0.000	1	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<2>,3|C<4>}	H(C[6]C[6,6]C[6]C)	108.0360	0.000	1	108.2850	0.124	2	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	108.5340	0.000	1	108.2850	0.124	2	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)2(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	111.4470	0.000	1	111.4470	0.000	1	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]N)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]N)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<2>,3|C<4>}	H(C[6]C[6,6]C[6]C)	107.0210	0.000	1	107.0210	0.000	1	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]N[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]N[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]CH)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6,6]C[6]C)	106.2740	0.000	1	106.2740	0.000	1	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]C)	107.2620	0.000	1	106.6870	0.248	3	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CCCH)(H){1|S<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]C)	106.3995	0.026	2	106.6870	0.248	3	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	106.7290	0.000	1	106.7290	0.000	1	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]C)	106.5980	0.000	1	106.5980	0.000	1	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(CCCH)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]C)	103.3410	0.000	1	103.3410	0.000	1	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]C)	106.9950	0.649	2	106.8890	0.244	3	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]C)	106.6770	0.000	1	106.8890	0.244	3	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	108.5980	0.344	2	107.0519	0.691	10	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	106.4865	0.001	2	107.0519	0.691	10	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	106.6490	0.000	1	107.0519	0.691	10	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	106.7402	0.095	5	107.0519	0.691	10	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	106.7970	0.000	1	106.7970	0.000	1	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	105.3350	0.000	1	105.3350	0.000	1	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]O[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]O[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]CH)(H)2{2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]C)	107.0080	0.000	2	107.0080	0.000	2	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]C)	107.2700	0.000	1	107.2700	0.000	1	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]C)	107.6830	0.441	2	107.6830	0.195	2	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CCCH)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]C)	103.3207	0.183	3	103.3207	0.034	3	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CCHH)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	105.8450	0.000	1	105.8450	0.000	1	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.5850	0.000	1	107.5850	0.000	1	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]C)	105.8120	0.000	1	105.8120	0.000	1	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH)(H){1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	106.0560	0.000	1	106.0560	0.000	1	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]C)	106.8410	0.000	1	107.1785	0.228	2	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	107.5160	0.000	1	107.1785	0.228	2	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	106.8815	0.004	2	106.8452	0.123	20	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]C)	106.0990	0.000	1	106.8452	0.123	20	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]C)	106.5655	0.363	2	106.8452	0.123	20	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	106.9390	0.000	1	106.8452	0.123	20	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]C)	107.5560	0.000	1	106.8452	0.123	20	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6]C[6]C)	106.9557	0.251	4	106.8452	0.123	20	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]C)	106.6430	0.154	4	106.8452	0.123	20	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	107.0030	0.008	2	106.8452	0.123	20	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	107.2330	0.000	1	106.8452	0.123	20	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]C)	107.2740	0.000	1	106.8452	0.123	20	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){3|C<3>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]C)	106.5080	0.000	1	106.8452	0.123	20	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]C)	107.1410	0.000	1	107.2475	0.023	2	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]C)	107.3540	0.000	1	107.2475	0.023	2	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]O[6]HO)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<3>,3|O<2>}	C[6](C[6]C[6,6]CH)(C[6]O[6]HO)(H)2{1|C<3>,1|C<4>,1|F<1>}	H(C[6]C[6,6]C[6]C)	108.2430	0.000	1	108.2430	0.000	1	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	106.9110	0.000	1	106.3168	0.665	12	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	104.4770	0.000	1	106.3168	0.665	12	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	106.1940	0.448	2	106.3168	0.665	12	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]C)	106.6160	0.000	1	106.3168	0.665	12	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	106.9350	0.000	1	106.3168	0.665	12	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	106.4435	0.585	2	106.3168	0.665	12	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]C)	106.5810	0.052	2	106.3168	0.665	12	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	107.2940	0.000	1	106.3168	0.665	12	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	105.1320	0.000	1	106.3168	0.665	12	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]C)	107.0510	0.000	1	107.0510	0.000	1	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]C)	106.8475	0.199	2	106.8475	0.039	2	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<2>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	106.6280	0.000	1	106.6280	0.000	1	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	108.0690	0.000	1	108.2145	0.153	4	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	107.7850	0.000	1	108.2145	0.153	4	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	108.5020	0.297	2	108.2145	0.153	4	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6]HH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6]HH)(H){1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	106.9380	0.000	1	106.9380	0.000	1	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(H){1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	106.4320	0.000	1	106.4320	0.000	1	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	105.5650	0.000	1	105.5650	0.000	1	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	108.4190	0.000	1	108.4190	0.000	1	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]C)	108.3000	0.000	1	107.8734	1.632	12	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	107.6660	0.000	1	107.8734	1.632	12	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	107.9085	0.462	2	107.8734	1.632	12	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	108.1720	0.000	1	107.8734	1.632	12	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	107.9430	0.000	1	107.8734	1.632	12	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	104.3550	0.000	1	107.8734	1.632	12	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	107.5560	0.045	2	107.8734	1.632	12	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	109.0387	0.615	3	107.8734	1.632	12	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]C)	108.3820	0.000	1	107.6547	0.397	3	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.2910	0.000	2	107.6547	0.397	3	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	107.7860	0.000	1	107.7860	0.000	1	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|O<2>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]C)	107.0390	0.000	1	107.0390	0.000	1	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	108.0710	0.410	2	108.0710	0.168	2	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]Ir)(C[6]C[6]HH)(CHHP)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]Ir)(C[6]C[6]HH)(CHHP)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|Ir<5>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	106.6647	1.381	3	106.7420	1.253	5	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]Ir)(C[6]C[6]HH)(CHHP)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]Ir)(C[6]C[6]HH)(CHHP)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|Ir<7>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	107.6170	0.000	1	106.7420	1.253	5	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]Ir)(C[6]C[6]HH)(CHHP)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]Ir)(C[6]C[6]HH)(CHHP)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|Ir<6>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	106.0990	0.000	1	106.7420	1.253	5	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CCCH)(H){3|H<1>,5|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]C)	105.2970	0.000	1	105.2970	0.000	1	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CCCH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]C)	105.8030	0.000	1	105.8030	0.000	1	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]C)	107.5190	0.000	1	105.5927	5.481	11	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]C)	107.5090	0.000	1	105.5927	5.481	11	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]C)	107.6610	0.000	1	105.5927	5.481	11	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]C)	101.3440	0.000	1	105.5927	5.481	11	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]C)	104.1780	4.190	2	105.5927	5.481	11	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]C)	106.0430	0.000	1	105.5927	5.481	11	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]C)	107.1590	0.000	1	105.5927	5.481	11	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]C)	104.6820	0.000	1	105.5927	5.481	11	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	105.6235	0.214	2	105.5927	5.481	11	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(CH3)(H){4|H<1>,5|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]C)	106.8410	0.004	2	106.8410	0.000	2	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.2820	0.000	1	107.2820	0.000	1	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	106.0170	0.000	1	106.0170	0.000	1	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CN[6]HH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CN[6]HH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.3010	0.000	1	107.3010	0.000	1	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CCCH)(H){3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	107.1610	0.372	2	107.1610	0.138	2	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCCO)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]C)	105.7760	0.000	1	105.7760	0.000	1	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]C)	107.5210	0.000	1	107.5210	0.000	1	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]S[6])(C[6]C[6]HH)(CF3)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6a]C[6]S[6])(C[6]C[6]HH)(CF3)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]CH)(H)2{1|C<4>,1|S<2>,2|C<3>}	H(C[6]C[6,6]C[6]C)	107.8450	0.000	1	107.8450	0.000	1	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]C)	107.8480	0.000	1	107.8480	0.000	1	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	H(C[6]C[6,6]C[6]C)	108.8470	0.000	1	108.8470	0.000	1	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(CH3)(H){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	107.0900	0.000	1	107.0900	0.000	1	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(CHHO)(H){3|C<4>,7|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	106.2350	0.089	2	106.2350	0.008	2	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CCCH)(H){4|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]C)	105.3220	0.000	1	105.3220	0.000	1	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]C)	106.6240	0.190	2	106.9580	0.353	3	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CH3)(H){4|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	107.6260	0.000	1	106.9580	0.353	3	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCCH)(H){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	106.1900	0.057	2	106.1900	0.003	2	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCHH)(H){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	106.9500	0.000	1	106.9500	0.000	1	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]N[6]O[6])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]N[6]O[6])(C[6]C[6]HH)(CCCH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]C)	106.4890	0.000	1	106.4890	0.000	1	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]C)	105.5123	0.118	3	105.5918	0.035	4	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CCCH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]C)	105.8300	0.000	1	105.5918	0.035	4	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]C)	107.4750	0.000	1	107.4750	0.000	1	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(CCCH)(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|S<2>,1|S<3>,2|C<4>}	H(C[6]C[6,6]C[6]C)	105.1887	0.217	4	105.1887	0.047	4	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	108.3165	0.105	2	108.3165	0.011	2	106.8141	1.684	168	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]2)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]2)	106.2095	0.019	2	106.2095	0.000	2	107.2394	0.754	8	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[4,6,6]O[6,6]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]2)	C[6](C[6,6]C[4,6,6]O[6,6]H)(C[6]C[6]HH)2(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]2)	107.2475	0.032	2	107.2475	0.001	2	107.2394	0.754	8	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]2)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)2(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]2)	108.4670	0.035	2	108.4670	0.001	2	107.2394	0.754	8	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]2H)(H)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]2)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]2H)(H){2|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]2)	106.8680	0.000	1	106.8680	0.000	1	107.2394	0.754	8	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]O[6])(C[6]C[6]HH)2(H)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]2)	C[6](C[6,6]C[6,6a]C[6,6]O[6])(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]2)	107.1990	0.000	1	107.1990	0.000	1	107.2394	0.754	8	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:P-4:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]B[6]HH)(PC[6a]3)(H)	C[6](B[6]C[6a]2C[6])(C[6]C[6,6]HP)(H)2	H(C[6]C[6,6]C[6]P)	C[6](C[6,6]C[6,6]C[6]H)(C[6]B[6]HH)(PC[6a]3)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]C[6,6]HP)(H)2{1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]P)	107.7290	0.000	1	107.7290	0.000	1	107.7290	0.000	1	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]CH)(C[3]C[3]2C)(C[6]C[6]HH)(H)	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2	H(C[6]C[3]C[6]2)	C[6](C[6]C[3,6]CH)(C[3]C[3]2C)(C[6]C[6]HH)(H){2|Br<1>,2|C<4>,5|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[3]C[6]2)	105.8920	0.000	1	107.2540	3.710	2	107.2540	3.710	2	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]CH)(C[3]C[3]2C)(C[6]C[6]HH)(H)	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2	H(C[6]C[3]C[6]2)	C[6](C[6]C[3,6]CH)(C[3]C[3]2C)(C[6]C[6]HH)(H){2|Cl<1>,2|C<4>,5|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[3]C[6]2)	108.6160	0.000	1	107.2540	3.710	2	107.2540	3.710	2	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[5]S[5]2C)(C[6]C[6]CH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[5]C[6]H)(H)2	H(C[6]C[5]C[6]2)	C[6](C[6]C[6,6]HH)(C[5]S[5]2C)(C[6]C[6]CH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[5]C[6]H)(H)2{1|H<1>,1|N<3>,2|C<4>,2|S<2>,3|C<3>}	H(C[6]C[5]C[6]2)	105.9130	0.000	1	105.9130	0.000	1	105.9130	0.000	1	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[5]O[5]2H)(C[6]C[6]HH)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5]C[6]2)	C[6](C[6]C[6,6]CH)(C[5]O[5]2H)(C[6]C[6]HH)(H){2|H<1>,5|C<4>}	C[6](C[6]C[5]C[6]H)(C[6]C[6,6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5]C[6]2)	107.9470	0.000	1	107.9470	0.000	1	107.9470	0.000	1	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:As-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(AsC[6]2Cl)(H)	C[6](C[6]C[6]AsH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2As)	C[6](C[6]C[6]HH)2(AsC[6]2Cl)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]AsH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2As)	106.8172	0.494	5	106.8172	0.244	5	106.8172	0.244	5	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(BO3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]BH)(H)2	H(C[6]C[6]2B)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(BO3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]BH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2B)	107.2147	0.486	3	107.2147	0.236	3	106.6860	1.014	28	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(BC[6]CC)(H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2B)	C[6](C[6]C[6]HH)2(BC[6]CC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2B)	106.3535	0.356	4	106.3535	0.126	4	106.6860	1.014	28	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(BC[6]CN)(H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2B)	C[6](C[6]C[6]HH)2(BC[6]CN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2B)	105.4780	0.133	4	105.4780	0.018	4	106.6860	1.014	28	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(BC[6]CO)(H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2B)	C[6](C[6]C[6]HH)2(BC[6]CO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2B)	105.6315	0.499	4	105.6315	0.249	4	106.6860	1.014	28	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(BC[6]OO)(H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2B)	C[6](C[6]C[6]HH)2(BC[6]OO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2B)	106.5370	0.238	4	106.5370	0.057	4	106.6860	1.014	28	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(BC[6a]2H)(H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2B)	C[6](C[6]C[6]HH)2(BC[6a]2H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2B)	108.5810	0.037	2	108.5810	0.001	2	106.6860	1.014	28	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(BHHN)(H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2B)	C[6](C[6]C[6]HH)2(BHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2B)	108.3105	0.189	2	108.3105	0.036	2	106.6860	1.014	28	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(BC[6a]2H)(H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2B)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(BC[6a]2H)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2B)	107.4870	0.000	1	107.4870	0.000	1	106.6860	1.014	28	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(BC[6a]2C)(H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2B)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(BC[6a]2C)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2B)	107.3860	0.000	1	107.3860	0.000	1	106.6860	1.014	28	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(BC[6a]2H)(H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2B)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(BC[6a]2H)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2B)	107.0100	0.000	1	107.0100	0.000	1	106.6860	1.014	28	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(BC[6a]2O)(H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2B)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(BC[6a]2O)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2B)	106.9495	0.135	2	106.9495	0.018	2	106.6860	1.014	28	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(CCHO)(H)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]CH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.4850	0.000	1	106.4850	0.000	1	106.4850	0.000	1	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CC3)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CC3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	111.3230	0.000	1	111.3230	0.000	1	107.7978	3.410	12	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CN)(CF3)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[3,6]HH)(C[6]C[6]CN)(CF3)(H){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{1|H<1>,1|N<2>,4|C<4>}	H(C[6]C[6]2C)	107.7870	0.000	1	107.7870	0.000	1	107.7978	3.410	12	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CO)(CH3)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[3,6]HH)(C[6]C[6]CO)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{1|C<2>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2C)	107.3620	0.000	1	107.3620	0.000	1	107.7978	3.410	12	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]FF)(CH3)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[3,6]HH)(C[6]C[6]FF)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|F<1>,4|H<1>}	H(C[6]C[6]2C)	107.6680	0.000	1	107.6680	0.000	1	107.7978	3.410	12	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CC3)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CC3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.5960	0.000	1	106.5960	0.000	1	107.7978	3.410	12	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CClCC)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CClCC)(H){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{2|Cl<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.5940	0.000	1	106.5940	0.000	1	107.7978	3.410	12	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.7400	0.645	2	106.7400	0.416	2	107.7978	3.410	12	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(CC3)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(CC3)(H){2|H<1>,2|O<2>,4|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2C)	111.8090	0.000	1	111.8090	0.000	1	107.7978	3.410	12	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HH)(CH3)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HH)(CH3)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2C)	106.6730	0.000	1	106.6730	0.000	1	107.7978	3.410	12	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HH)(CH3)(H)	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HH)(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2C)	107.1405	1.056	2	107.1405	1.115	2	107.7978	3.410	12	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]CC)(CCHH)(H)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]CC)(CCHH)(H){2|C<4>,3|C<3>}	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2C)	105.5947	1.059	3	105.5947	1.122	3	107.0444	1.437	14	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[3x6]C[3x6]C[6,6]N[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[3x6]C[3x6]C[6,6]N[6])(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2C)	108.1300	0.000	1	107.1913	1.413	3	107.0444	1.437	14	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[3x6]C[3x6]C[6,6]N[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[3x6]C[3x6]C[6,6]N[6])(C[6]C[6]CH)(H)2{2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2C)	106.7220	1.226	2	107.1913	1.413	3	107.0444	1.437	14	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.7990	0.000	1	108.1390	0.138	3	107.0444	1.437	14	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2C)	108.0830	0.000	1	108.1390	0.138	3	107.0444	1.437	14	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]CH)(H)2{2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2C)	108.5350	0.000	1	108.1390	0.138	3	107.0444	1.437	14	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[3x6]C[3x6]N[6]O[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[3x6]C[3x6]N[6]O[6])(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2C)	107.8820	0.000	1	107.8820	0.000	1	107.0444	1.437	14	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[3x6]C[6,6a]C[3x6]N[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<4>,2|C<4>}	C[6](C[3x6]C[6,6a]C[3x6]N[6])(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	105.5800	0.000	1	105.5800	0.000	1	107.0444	1.437	14	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]O[6]CC)(CCHH)(H)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[3x6]HH)(C[6]O[6]CC)(CCHH)(H){1|C<4>,2|C<3>}	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2C)	107.4617	0.031	3	107.4617	0.001	3	107.0444	1.437	14	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CHHN)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CHHN)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]CH)(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.7110	0.000	1	107.7110	0.000	1	106.7777	0.795	3	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HO)(CCHO)(H)	C[6](C[4,6]C[4]2C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[4,6]HH)(C[6]C[6]HO)(CCHO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4]2C[6])(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2C)	106.3110	0.533	2	106.3110	0.284	2	106.7777	0.795	3	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[4x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6]C[6]CH)(H)2{3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.2950	0.000	1	108.1036	0.086	5	108.1036	0.086	5	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[4x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6]2C)	107.9360	0.000	1	108.1036	0.086	5	108.1036	0.086	5	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[4x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2C)	108.5160	0.000	1	108.1036	0.086	5	108.1036	0.086	5	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[4x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6]C[6]CH)(H)2{2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.8855	0.121	2	108.1036	0.086	5	108.1036	0.086	5	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(C[6]C[5,6,6]CC)(CCHH)(H)	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,3x6]HH)(C[6]C[5,6,6]CC)(CCHH)(H){2|C<4>,3|C<3>}	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[6]C[6]CH)(H)2{1|O<1>,2|H<1>,2|O<2>,5|C<4>}	H(C[6]C[6]2C)	107.4320	0.000	1	107.4320	0.000	1	107.6882	0.060	5	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[5,3x6]C[3x6]C[5,6]N[5,6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|C<4>,1|H<1>,1|N<4>,2|C<3>}	C[6](C[5,3x6]C[3x6]C[5,6]N[5,6])(C[6]C[6]CH)(H)2{1|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6]2C)	107.9620	0.000	1	107.7523	0.052	4	107.6882	0.060	5	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[5,3x6]C[3x6]C[5,6]N[5,6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,3x6]C[3x6]C[5,6]N[5,6])(C[6]C[6]CH)(H)2{1|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6]2C)	107.4270	0.000	1	107.7523	0.052	4	107.6882	0.060	5	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[5,3x6]C[3x6]C[5,6]N[5,6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,3x6]C[3x6]C[5,6]N[5,6])(C[6]C[6]CH)(H)2{1|Cl<1>,2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2C)	107.8000	0.000	1	107.7523	0.052	4	107.6882	0.060	5	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[5,3x6]C[3x6]C[5,6]N[5,6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,3x6]C[3x6]C[5,6]N[5,6])(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2C)	107.8200	0.000	1	107.7523	0.052	4	107.6882	0.060	5	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]N[5,6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]N[5,6])(C[6]C[6]CH)(H)2{1|C<3>,3|H<1>,6|C<4>}	H(C[6]C[6]2C)	108.5535	0.681	2	108.5535	0.464	2	108.5535	0.464	2	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,5,4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,4x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[5,5,4x6]C[5,5,6,6]C[5,3x6]N[5,6,6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,5,4x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<4>,3|C<4>}	C[6](C[5,5,4x6]C[5,5,6,6]C[5,3x6]N[5,6,6])(C[6]C[6]CH)(H)2{4|H<1>,7|C<4>}	H(C[6]C[6]2C)	107.9330	0.000	1	107.9330	0.000	1	107.9330	0.000	1	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,5,6,6]C[5,6,6]O[5,5]O[5,6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,5,6,6]C[5,6,6]O[5,5]O[5,6])(C[6]C[6]CH)(H)2{1|S<4>,2|H<1>,4|C<4>}	H(C[6]C[6]2C)	106.7540	0.000	1	106.7540	0.000	1	106.7540	0.000	1	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(CH3)(H)	C[6](C[5,6,6]C[5,6,6]N[5,6,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]N[5,6,6]H)(C[6]C[6]CH)(H)2{1|I<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2C)	107.4350	0.383	14	107.4350	0.147	14	107.3329	0.670	25	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(CH3)(H)	C[6](C[5,6,6]N[5,6]O[5,6]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(CH3)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[5,6,6]N[5,6]O[5,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.9760	0.000	1	108.0243	0.007	3	107.3329	0.670	25	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(CH3)(H)	C[6](C[5,6,6]N[5,6]O[5,6]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(CH3)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[5,6,6]N[5,6]O[5,6]C[6])(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.0485	0.104	2	108.0243	0.007	3	107.3329	0.670	25	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]CC)(CCHH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]CC)(CCHH)(H){1|C<4>,4|C<3>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2C)	106.1587	1.410	4	106.1587	1.989	4	107.3329	0.670	25	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]CH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.0050	0.000	1	107.0050	0.000	1	107.3329	0.670	25	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6]2C)	107.9170	0.000	1	107.9170	0.000	1	107.3329	0.670	25	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]HH)(CH3)(H)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]HH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6,6]C[3x5,6,6]C[5,6]H)(C[6]C[6]CH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.4680	0.000	1	107.4680	0.000	1	107.3329	0.670	25	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]O[6]CC)(CCHH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6,6]HH)(C[6]O[6]CC)(CCHH)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]CH)(H)2{2|C<3>,2|O<2>,4|C<4>}	H(C[6]C[6]2C)	108.1340	0.000	1	108.1340	0.000	1	107.3329	0.670	25	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(Br)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(Br)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.1373	0.641	3	107.1373	0.411	3	107.1373	0.411	3	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(Cl)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(Cl)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.4540	0.000	1	106.4540	0.000	1	106.4540	0.000	1	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(CH3)(H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6]CH)(H)2{1|I<1>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.4346	0.379	16	107.4346	0.144	16	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(CH3)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(CH3)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2C)	108.0790	0.109	3	108.0790	0.012	3	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(CCHH)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(CCHH)(H){1|N<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]CH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2C)	105.9350	0.000	1	106.0390	0.022	2	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(CCHH)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(CCHH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]CH)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]2C)	106.1430	0.000	1	106.0390	0.022	2	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HI)(CH3)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HI)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2{1|I<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.7350	0.000	1	108.7350	0.000	1	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	109.9670	0.000	1	107.9486	1.328	5	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.8300	0.000	1	107.9486	1.328	5	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.3740	0.011	2	107.9486	1.328	5	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.1980	0.000	1	107.9486	1.328	5	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]CH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.5880	0.000	1	108.5880	0.000	1	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)(H)	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2C)	108.1130	0.000	2	108.1130	0.000	2	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(CCCH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(CCCH)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	105.7270	0.027	2	105.7270	0.001	2	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]FeH)(CC[6a]FeO)(H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]FeH)(CC[6a]FeO)(H){1|Fe<7>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]CH)(H)2{1|Fe<6>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.8360	1.970	2	106.8360	3.881	2	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]2C)	107.3520	0.000	1	107.3520	0.000	1	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	104.3390	0.000	1	104.3390	0.000	1	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(H){1|N<3>,1|O<1>,2|C<4>}	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.2490	0.000	1	108.2490	0.000	1	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2{1|N<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.0290	0.000	1	107.0290	0.000	1	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.3175	0.644	2	108.3175	0.415	2	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.4650	0.097	5	108.4368	0.031	10	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.4740	0.000	1	108.4368	0.031	10	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.3923	0.274	4	108.4368	0.031	10	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.8120	0.000	1	107.8120	0.000	1	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.7270	0.694	2	107.8740	0.306	3	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.1680	0.000	1	107.8740	0.306	3	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.6630	0.000	1	107.5258	0.109	6	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.1970	0.000	1	107.5258	0.109	6	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.5738	0.370	4	107.5258	0.109	6	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6]C[6]2C)	108.1840	0.000	1	109.5893	19.353	10	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.3200	0.146	5	109.5893	19.353	10	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{4|C<3>,4|H<1>}	H(C[6]C[6]2C)	108.5980	0.000	1	109.5893	19.353	10	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	112.5037	8.295	3	109.5893	19.353	10	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.4750	0.000	1	108.1350	0.231	2	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.7950	0.000	1	108.1350	0.231	2	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.3940	0.000	1	108.5065	0.025	2	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]CH)(H)2{1|S<4>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	108.6190	0.000	1	108.5065	0.025	2	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	109.9450	0.000	1	109.9450	0.000	1	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]CH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	109.4860	0.000	1	109.4860	0.000	1	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|C<2>,1|N<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2C)	109.2940	0.000	2	108.4257	0.673	9	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2C)	108.4460	0.017	2	108.4257	0.673	9	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|Ga<4>,1|N<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2C)	108.5370	0.000	1	108.4257	0.673	9	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|Ni<4>,1|N<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2C)	108.6060	0.000	1	108.4257	0.673	9	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|N<3>,1|P<3>,3|C<4>,6|H<1>}	H(C[6]C[6]2C)	108.3645	0.172	2	108.4257	0.673	9	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{2|N<3>,3|C<4>,6|H<1>}	H(C[6]C[6]2C)	106.4790	0.000	1	108.4257	0.673	9	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(H)2{1|C<4>,4|H<1>,5|C<3>}	H(C[6]C[6]2C)	108.3155	0.432	2	108.3155	0.187	2	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,1|S<2>,2|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]CH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2C)	107.9670	0.383	2	107.9670	0.147	2	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2C)	108.4067	0.555	3	108.4067	0.308	3	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]N[5,5]C[5]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,5]C[5]C[6])(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2C)	107.8215	0.323	2	107.8215	0.104	2	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]N[5,5]C[6]N[5])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,2|N<3>}	C[6](C[5,6]N[5,5]C[6]N[5])(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2C)	108.3630	0.474	2	108.3630	0.224	2	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2C)	108.6430	0.000	1	108.6430	0.000	1	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CCHO)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CCHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.7800	0.000	1	106.7800	0.000	1	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2C)	108.5300	0.000	1	108.5300	0.000	1	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HW)(CF3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HW)(CF3)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,1|W<7>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.2690	1.656	2	107.2690	2.742	2	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	108.2500	0.000	1	108.2500	0.000	1	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CHHO)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CHHO)(H){2|C<3>,2|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|C<4>,2|N<3>,2|O<1>,4|H<1>}	H(C[6]C[6]2C)	109.1640	0.540	3	109.1640	0.292	3	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(CCHH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)2(CCHH)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2C)	107.6935	2.947	2	107.6935	8.682	2	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(CH3)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)2(CH3)(H){1|H<1>,1|N<2>,2|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.0035	0.142	2	108.0035	0.020	2	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(CH3)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)2(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.2170	0.189	4	108.2170	0.036	4	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(CH3)(H)	C[6](C[5,6]C[5,6,6]O[5]2)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)2(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6,6]O[5]2)(C[6]C[6]CH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[6]2C)	108.2475	0.190	4	108.2475	0.036	4	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(CHHO)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)2(CHHO)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|B<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.6985	0.032	2	106.6985	0.001	2	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HH)(CCHH)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HH)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2C)	106.5990	0.000	1	106.5990	0.000	1	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(CH3)(H)	C[6](C[5,6]C[5,6,6a]O[5]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(CH3)(H){2|C<3>,2|O<2>}	C[6](C[5,6]C[5,6,6a]O[5]O)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.3990	0.000	1	107.3990	0.000	1	108.0307	2.498	121	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HI)(CH3)(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]CH)(H)(I)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HI)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]CH)(H)(I){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.7010	0.000	1	108.7010	0.000	1	107.5577	0.731	6	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(CCCH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)(I)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)(I){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.3290	0.722	5	107.3290	0.522	5	107.5577	0.731	6	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.1450	0.000	1	107.4269	1.189	8	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2C)	106.6890	1.270	2	107.4269	1.189	8	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<4>,2|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	105.6310	0.000	1	107.4269	1.189	8	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.8960	0.000	1	107.4269	1.189	8	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.8230	0.000	1	107.4269	1.189	8	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2C)	108.2710	0.280	2	107.4269	1.189	8	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]HS)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[3x6]HS)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	110.7220	0.000	3	110.7220	0.000	3	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[4x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2C)	108.3420	0.000	1	108.1132	0.098	5	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[4x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.1950	0.467	2	108.1132	0.098	5	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[4x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2C)	107.9170	0.173	2	108.1132	0.098	5	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|C<4>,1|H<1>,1|N<4>,2|C<3>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.9990	0.000	1	107.8107	0.036	3	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2C)	107.7165	0.134	2	107.8107	0.036	3	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.3995	0.455	2	108.3995	0.207	2	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2C)	108.6120	0.000	1	108.6120	0.000	1	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.8100	0.000	1	107.5270	0.061	3	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]CH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6]2C)	107.3855	0.033	2	107.5270	0.061	3	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[5,6,6]N[6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6,6]C[5,6,6]N[6]O)(C[6]C[6]CH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[6]2C)	106.5990	0.000	1	106.5990	0.000	1	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]CH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[6]2C)	107.0870	0.000	1	107.0870	0.000	1	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2C)	106.6260	0.000	1	106.3521	1.372	16	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,2|O<1>,3|C<4>}	H(C[6]C[6]2C)	107.2625	0.122	2	106.3521	1.372	16	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){1|C<4>,1|I<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,2|O<1>,3|C<4>}	H(C[6]C[6]2C)	107.3240	0.000	1	106.3521	1.372	16	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){1|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,2|O<1>,3|C<4>}	H(C[6]C[6]2C)	107.1248	0.288	4	106.3521	1.372	16	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2C)	106.4553	0.226	3	106.3521	1.372	16	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2C)	105.8090	2.202	2	106.3521	1.372	16	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,2|O<1>,3|C<4>}	H(C[6]C[6]2C)	104.5583	0.108	3	106.3521	1.372	16	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CC[5]HH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CC[5]HH)(H){1|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{2|O<1>,4|C<4>}	H(C[6]C[6]2C)	104.6513	0.654	3	104.6513	0.427	3	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6]2C)	106.3200	0.000	1	106.3200	0.000	1	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CCCO)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CCCO)(H){1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.1460	0.000	1	106.1460	0.000	1	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2C)	111.8520	0.000	2	111.8520	0.000	2	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2C)	109.1540	0.000	1	109.1540	0.000	1	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(CH3)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2C)	106.5290	0.000	2	105.7535	0.802	4	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(CH3)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[6]2C)	104.9780	0.000	2	105.7535	0.802	4	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CC3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CC3)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.9948	0.218	5	106.9948	0.048	5	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CC3)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CC3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.6220	0.000	1	106.6220	0.000	1	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCCH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCCH)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6]2C)	107.7660	0.000	1	107.7660	0.000	1	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2C)	108.3375	0.039	2	108.3375	0.002	2	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.4890	0.000	1	106.4890	0.000	1	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2C)	107.6210	0.543	2	107.6210	0.295	2	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6,6]C[6]2N[6])(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	109.8080	0.000	1	109.8080	0.000	1	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.3300	0.000	1	107.3300	0.000	1	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.9940	0.000	1	107.9940	0.000	1	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]FF)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]FF)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<2>,2|F<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.6495	0.231	2	107.6495	0.053	2	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	106.6150	0.000	1	106.6150	0.000	1	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.1240	0.387	2	107.1240	0.150	2	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2C)	107.3485	0.695	2	107.3485	0.483	2	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCO)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6]2C)	104.9995	0.417	4	104.9995	0.174	4	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	106.4260	0.000	1	106.4260	0.000	1	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.5320	0.000	1	108.0963	0.597	3	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2C)	108.5530	0.000	1	108.0963	0.597	3	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.2040	0.000	1	108.0963	0.597	3	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.4240	0.000	1	107.4240	0.000	1	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.4870	0.000	1	107.4870	0.000	1	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.2480	0.000	1	107.9250	0.210	24	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.7483	0.367	14	107.9250	0.210	24	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2C)	108.0243	0.132	3	107.9250	0.210	24	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2C)	108.5400	1.097	2	107.9250	0.210	24	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.2527	0.159	3	107.9250	0.210	24	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.5640	0.000	1	107.9250	0.210	24	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2C)	107.7749	0.430	10	107.8686	0.177	13	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.1810	0.197	3	107.8686	0.177	13	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<2>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6]CH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2C)	108.5970	0.000	1	108.5970	0.000	1	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<2>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.8010	0.000	1	107.5208	0.103	6	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.9900	0.000	1	107.5208	0.103	6	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.3370	0.000	1	107.5208	0.103	6	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2C)	107.5260	0.000	1	107.5208	0.103	6	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.2355	0.142	2	107.5208	0.103	6	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.9380	0.000	1	107.2450	1.931	3	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.8985	1.773	2	107.2450	1.931	3	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.7920	0.000	1	107.7920	0.000	1	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6]C[6]2N[6])(C[6]C[6]CH)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.0970	0.000	1	107.0970	0.000	1	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)(H)2{4|H<1>,5|C<4>}	H(C[6]C[6]2C)	108.2390	0.000	1	108.2390	0.000	1	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6]N[6]O[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6]N[6]O[6])(C[6]C[6]CH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.1870	0.000	1	108.1870	0.000	1	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.1060	1.310	3	107.3397	1.362	4	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]CH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2C)	108.0410	0.000	1	107.3397	1.362	4	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|S<2>,1|S<3>,2|H<1>}	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]CH)(H)2{1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[6]2C)	108.1645	0.422	4	108.1645	0.178	4	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2C)	108.4050	0.000	1	108.6180	0.611	3	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.9650	0.000	1	108.6180	0.611	3	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	109.4840	0.000	1	108.6180	0.611	3	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CPdCC)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CPdCC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.4945	0.391	2	107.4945	0.153	2	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CCCH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|H<1>,2|O<2>,5|C<4>}	H(C[6]C[6]2C)	107.0150	0.000	1	107.0150	0.000	1	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(H){1|C<2>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CH)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2C)	105.8070	0.000	1	105.8070	0.000	1	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.3737	0.837	3	108.3737	0.700	3	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(CC[6a]HH)(H)	C[6](C[6,6]C[6,6]Si[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(CC[6a]HH)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]Si[6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2C)	108.4590	0.000	1	108.4590	0.000	1	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(CH3)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(CH3)(H){1|S<4>,3|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]CH)(H)2{1|N<3>,3|C<4>,7|H<1>}	H(C[6]C[6]2C)	106.8445	0.647	2	106.8445	0.419	2	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CHHO)(H)	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CHHO)(H){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	106.9750	0.537	2	106.9750	0.289	2	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CHHO)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CHHO)(H){2|C<3>,2|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]CH)(H)2{1|C<4>,2|N<3>,2|O<1>,4|H<1>}	H(C[6]C[6]2C)	108.1840	0.000	1	108.1840	0.000	1	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CHHS)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CHHS)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|N<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	109.0480	0.000	1	109.0480	0.000	1	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CO)(CH3)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]O[6]CO)(CH3)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2C)	107.6530	0.000	1	107.6530	0.000	1	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(CC3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)2(CC3)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6]C[6]2C)	106.4490	0.041	2	106.9235	1.739	4	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(CC3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)2(CC3)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2C)	107.3980	2.077	2	106.9235	1.739	4	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(CCHH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)2(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.1850	0.000	1	106.1850	0.000	1	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)2(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{2|C<4>,6|H<1>}	H(C[6]C[6]2C)	106.1410	0.000	1	106.8438	0.499	5	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)2(CCHH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|B<4>,1|C<4>,6|H<1>}	H(C[6]C[6]2C)	107.0195	0.678	4	106.8438	0.499	5	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(CC[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)2(CC[6]HH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{2|C<4>,6|H<1>}	H(C[6]C[6]2C)	105.4590	0.000	1	105.4590	0.000	1	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(CH3)(H)	C[6](C[6,6]C[3,6]C[3x6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)2(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3,6]C[3x6]H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.5480	0.000	1	108.5480	0.000	1	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)2(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2C)	108.9590	0.000	2	108.9590	0.000	2	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(CH3)(H)	C[6](C[6,6]C[3x6]N[5,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)2(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]N[5,6]H)(C[6]C[6]CH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2C)	110.4630	0.000	2	110.4630	0.000	2	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(CH3)(H)	C[6](C[6,6]C[3x6]N[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)2(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]N[6]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2C)	109.7980	0.000	1	109.7980	0.000	1	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)2(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.3810	0.000	1	108.0135	0.061	4	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)2(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6]C[6]2C)	107.8910	0.033	3	108.0135	0.061	4	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(CH3)(H)	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)2(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.3620	0.000	1	108.3620	0.000	1	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(CH3)(H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)2(CH3)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.5510	0.000	1	108.5510	0.000	1	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(CHHO)(H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)2(CHHO)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.8080	0.011	2	106.8080	0.000	2	107.5394	1.628	189	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]BrH)(CH3)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(Br)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HO)(C[6]C[6]BrH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(Br)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2C)	108.2115	0.617	2	108.2115	0.381	2	108.2115	0.381	2	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]CO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]ClH)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(Cl)(H){1|O<2>,4|C<4>}	H(C[6]C[6]2C)	107.6330	0.000	1	107.6330	0.000	1	107.5892	0.137	4	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(Cl)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(Cl)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.3710	0.000	1	107.3710	0.000	1	107.5892	0.137	4	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(Cl)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(Cl)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.0930	0.000	1	108.0930	0.000	1	107.5892	0.137	4	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]N[6]CH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(Cl)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]ClH)(C[6]N[6]CH)(CCHH)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(Cl)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	107.2600	0.000	1	107.2600	0.000	1	107.5892	0.137	4	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]FF)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2	H(C[6]C[6]2C)	C[6](C[6]C[3,6]HH)(C[6]C[6]FF)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.6610	0.000	1	107.6610	0.000	1	107.6053	0.106	9	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[5a,6]CO)(C[6]C[6]FF)(CH3)(H)	C[6](C[6]N[5a,6]FF)(C[6]C[6]CH)(F)2	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]CO)(C[6]C[6]FF)(CH3)(H){1|N<2>,1|N<3>,2|F<1>}	C[6](C[6]N[5a,6]FF)(C[6]C[6]CH)(F)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6]2C)	107.0090	0.000	1	107.0090	0.000	1	107.6053	0.106	9	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]FF)(CH3)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(F)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]FF)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(F)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.5215	0.230	2	107.5215	0.053	2	107.6053	0.106	9	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2	H(C[6]C[6]2C)	C[6](C[6]C[6]FF)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	107.9120	0.000	1	107.7470	0.081	5	107.6053	0.106	9	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2	H(C[6]C[6]2C)	C[6](C[6]C[6]FF)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.5887	0.249	3	107.7470	0.081	5	107.6053	0.106	9	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2	H(C[6]C[6]2C)	C[6](C[6]C[6]FF)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	108.0570	0.000	1	107.7470	0.081	5	107.6053	0.106	9	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[6a]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]B[6a]C[6]H)(C[6]C[6]HH)(CH3)(H){2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{1|B<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2C)	108.0427	0.177	3	108.0427	0.031	3	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(CCHO)(H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.4290	0.000	1	106.4290	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[6]2C)	107.8850	0.000	1	107.8850	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CC[6]HH)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CC[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2C)	105.9300	0.000	1	105.9300	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2C)	106.5370	0.000	1	106.5370	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CC3)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CC3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.5750	0.000	1	106.5750	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CClCC)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CClCC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.6320	0.000	1	106.6320	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.7300	0.000	1	107.9730	0.203	29	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.9817	0.457	28	107.9730	0.203	29	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[4,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CHHN)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.6640	0.000	1	107.6640	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6]CH)(H)2{1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	109.7570	0.000	1	109.7570	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2C)	107.8715	0.103	2	107.8715	0.011	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,2|N<3>}	H(C[6]C[6]2C)	107.3380	0.000	1	107.3380	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.8180	0.051	2	107.8180	0.003	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.6200	0.000	1	106.6200	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.0810	0.000	1	107.0810	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.9580	0.000	1	107.9580	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2C)	108.0925	0.245	2	108.0925	0.060	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.6660	0.000	1	106.6660	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|Br<1>,1|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.1420	0.617	3	107.1420	0.381	3	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	105.7245	0.073	2	105.7245	0.005	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<2>,1|C<3>,3|C<4>}	H(C[6]C[6]2C)	105.9630	0.000	1	106.0788	2.269	15	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	H(C[6]C[6]2C)	106.0273	1.856	10	106.0788	2.269	15	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2C)	106.0475	0.606	2	106.0788	2.269	15	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	H(C[6]C[6]2C)	106.4255	0.320	2	106.0788	2.269	15	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2C)	106.1700	0.000	1	106.1700	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2C)	108.2580	0.000	1	108.2580	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2C)	106.9560	0.000	1	106.9560	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6]HH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2C)	108.2122	0.362	4	108.2122	0.131	4	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.9770	0.000	1	107.5370	0.387	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.0970	0.000	1	107.5370	0.387	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2C)	108.0280	0.000	1	108.0280	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|Cl<1>,1|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.4570	0.023	2	106.4570	0.001	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	107.3710	0.000	1	107.3710	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[6]CH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	107.6490	0.000	1	107.6490	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2C)	107.0450	0.000	1	107.0450	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,5,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,5,6]HO)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	108.4483	0.257	4	108.4483	0.066	4	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.9280	0.000	1	107.8539	0.345	8	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.8813	0.545	3	107.8539	0.345	8	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.5648	0.333	4	107.8539	0.345	8	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	108.1600	0.000	1	107.9092	1.106	11	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	105.5280	0.000	1	107.9092	1.106	11	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.1710	0.051	3	107.9092	1.106	11	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.5350	0.000	1	107.9092	1.106	11	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.8260	0.000	1	107.9092	1.106	11	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.3880	0.000	1	107.9092	1.106	11	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2C)	110.0100	0.000	1	107.9092	1.106	11	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	107.4060	0.000	1	107.9092	1.106	11	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.6350	0.000	1	107.9092	1.106	11	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	105.2233	4.437	3	105.2233	19.684	3	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.7136	0.302	8	108.3756	0.351	22	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,1|S<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.0000	0.311	2	108.3756	0.351	22	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.8380	0.222	2	108.3756	0.351	22	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.4087	0.487	3	108.3756	0.351	22	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.3145	0.425	2	108.3756	0.351	22	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.9105	0.301	2	108.3756	0.351	22	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.7340	1.126	3	108.3756	0.351	22	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.5600	0.000	1	108.6984	0.170	5	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.7330	0.468	4	108.6984	0.170	5	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|I<1>,3|C<4>}	H(C[6]C[6]2C)	107.3190	0.702	5	107.3190	0.493	5	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2C)	106.6070	0.000	1	106.6070	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.5070	0.000	1	107.5070	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|Hf<12>,3|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.9190	0.184	2	106.6688	0.095	8	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|Rh<8>,3|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.0730	0.000	1	106.6688	0.095	8	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|Ti<12>,3|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.2780	0.140	2	106.6688	0.095	8	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|Zr<12>,3|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.7170	0.000	1	106.6688	0.095	8	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|Zr<14>,3|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.5830	0.042	2	106.6688	0.095	8	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CC[6a]CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CC[6a]CC)(H){1|Zr<12>,3|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.6410	0.000	1	106.6410	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(H)2{2|O<2>,3|C<4>}	H(C[6]C[6]2C)	107.4520	0.000	1	107.4520	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2C)	108.3840	0.062	2	108.3840	0.004	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.0160	0.000	1	108.0160	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2C)	106.6140	0.000	1	106.9400	0.213	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2C)	107.2660	0.000	1	106.9400	0.213	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]O[6]C)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5]O[6]C)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2C)	105.4780	0.000	1	105.4780	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)2(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2C)	108.2730	0.369	2	108.2730	0.136	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2C)	106.5680	0.000	1	106.5680	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CHHN)(H){2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2C)	108.2835	0.880	2	108.2835	0.775	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CHHO)(H){2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|S<2>}	H(C[6]C[6]2C)	111.6820	0.000	1	111.6820	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2C)	107.8060	0.000	1	107.8060	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CCCO)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.0310	0.000	1	107.0310	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	H(C[6]C[6]2C)	104.8630	0.000	1	104.8630	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2C)	109.4320	0.000	1	106.2712	4.760	4	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2C)	104.5710	0.000	1	106.2712	4.760	4	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	H(C[6]C[6]2C)	105.5410	0.576	2	106.2712	4.760	4	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2C)	105.2170	0.000	1	105.2530	0.003	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{5|C<4>}	H(C[6]C[6]2C)	105.2890	0.000	1	105.2530	0.003	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2C)	106.9500	0.000	1	106.9500	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2C)	105.5640	0.000	1	105.4430	0.029	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	H(C[6]C[6]2C)	105.3220	0.000	1	105.4430	0.029	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2C)	106.9736	2.303	5	106.9736	5.305	5	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2C)	107.4610	0.887	2	107.4610	0.786	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2C)	106.5000	0.000	1	106.5000	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|C<2>,1|C<3>,3|C<4>}	H(C[6]C[6]2C)	106.6270	0.000	1	106.6270	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2C)	106.9040	0.000	1	107.1219	1.437	24	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2C)	107.0970	1.339	18	107.1219	1.437	24	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	H(C[6]C[6]2C)	107.2550	0.777	5	107.1219	1.437	24	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2C)	106.7870	0.000	1	106.9545	0.056	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2C)	107.1220	0.000	1	106.9545	0.056	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2C)	107.9190	0.000	1	107.8440	0.011	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.7690	0.000	1	107.8440	0.011	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.9210	0.321	5	107.4597	4.730	12	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2C)	107.6763	0.287	3	107.4597	4.730	12	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2C)	104.5000	5.197	2	107.4597	4.730	12	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	108.9415	1.153	2	107.4597	4.730	12	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2C)	108.1610	0.338	2	107.6082	1.030	4	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2C)	107.0555	1.324	2	107.6082	1.030	4	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	105.9180	0.000	1	105.9180	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CCHH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2C)	107.5980	0.000	1	107.5980	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CC[5a]HH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CC[5a]HH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2C)	106.9380	0.000	1	106.9380	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2C)	107.3303	0.398	3	107.3303	0.159	3	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CS)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CS)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|S<2>,3|C<4>}	H(C[6]C[6]2C)	106.2740	0.000	1	106.2740	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[3]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]C[3]H)(C[6]C[6]HH)(CCCH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.1610	0.000	1	106.1610	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2C)	106.9190	0.000	1	106.9190	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{5|C<4>}	H(C[6]C[6]2C)	107.8947	2.558	3	107.8947	6.546	3	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.5940	0.000	1	106.5940	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.6070	0.000	1	106.6070	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2C)	107.0053	0.126	6	107.0053	0.016	6	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.2860	0.034	2	107.1265	0.438	8	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.8150	0.386	2	107.1265	0.438	8	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.3045	0.572	2	107.1265	0.438	8	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.1005	0.404	2	107.1265	0.438	8	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.8110	0.000	1	105.3332	0.823	5	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	104.9638	0.433	4	105.3332	0.823	5	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.5270	0.000	1	107.5270	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.5290	1.458	2	107.7067	1.023	4	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.5230	0.000	1	107.7067	1.023	4	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.2460	0.000	1	107.7067	1.023	4	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<2>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.5990	0.000	1	107.6280	0.332	5	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.4980	0.000	1	107.6280	0.332	5	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.5110	0.000	1	107.6280	0.332	5	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.2660	0.307	2	107.6280	0.332	5	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.0010	0.105	2	107.7544	0.825	43	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.7612	0.355	15	107.7544	0.825	43	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.7190	0.000	1	107.7544	0.825	43	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.6820	0.492	2	107.7544	0.825	43	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.2113	3.126	3	107.7544	0.825	43	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.9073	0.434	13	107.7544	0.825	43	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.4670	0.000	1	107.7544	0.825	43	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.0028	0.442	4	107.7544	0.825	43	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	108.5155	1.081	2	107.7544	0.825	43	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.2200	0.000	1	107.8601	0.718	10	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|S<2>,1|S<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.1360	0.340	4	107.8601	0.718	10	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.4052	1.256	4	107.8601	0.718	10	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.2160	0.000	1	107.8601	0.718	10	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.1300	0.000	1	107.1300	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	110.9660	0.000	1	110.9660	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.3810	0.000	1	108.1840	0.078	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.9870	0.000	1	108.1840	0.078	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CPdCC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CPdCC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.5270	0.322	2	107.5270	0.104	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2C)	106.4310	0.263	2	106.4310	0.069	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCF)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCF)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2C)	105.8020	0.000	1	105.8020	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2C)	106.8555	0.076	2	106.9628	0.127	5	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2C)	107.0343	0.483	3	106.9628	0.127	5	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2C)	106.3490	0.000	1	106.1240	0.101	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2C)	105.8990	0.000	1	106.1240	0.101	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCl3)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCl3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2C)	106.4750	0.000	1	106.4750	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.0267	0.288	4	107.9997	0.067	6	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.9455	0.275	2	107.9997	0.067	6	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2C)	108.6400	0.105	2	108.6400	0.011	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CHHO)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2C)	106.6560	0.000	1	106.6560	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.8960	0.000	1	106.8960	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HS)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HS)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]2C)	106.7115	0.356	2	106.7115	0.127	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2C)	102.9014	3.086	4	102.9014	9.524	4	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC3)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC3)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	106.5883	0.113	3	106.5883	0.013	3	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC3)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC3)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]2C)	106.8490	0.000	1	106.8490	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.0047	1.652	3	108.0047	2.729	3	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CHHN)(H){2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2C)	105.7285	1.737	2	105.7285	3.018	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2C)	106.4100	0.000	1	106.4100	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6]2C)	108.7910	0.000	1	108.7910	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CHHO)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2C)	107.3060	8.270	2	107.3060	68.398	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CHOO)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CHOO)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2C)	105.5660	0.000	1	105.5660	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2C)	104.4600	0.000	1	106.3250	2.946	3	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCCH)(H){1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2C)	107.8380	0.000	1	106.3250	2.946	3	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCCH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.6770	0.000	1	106.3250	2.946	3	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]BrC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCHH)(H){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]BrC)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.4210	0.000	1	108.4210	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]AuH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]AuH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Au<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.3720	0.000	1	106.3720	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCCO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2C)	105.5420	0.000	1	105.5420	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2C)	107.5010	0.000	1	107.5010	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<2>,3|C<4>}	H(C[6]C[6]2C)	104.7010	0.000	1	105.6370	1.418	4	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.6635	0.153	2	105.6370	1.418	4	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2C)	104.5200	0.000	1	105.6370	1.418	4	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[5]HH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[5]HH)(H){1|C<4>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2C)	105.4350	0.000	1	105.4350	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2C)	106.8130	0.000	1	106.8130	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2C)	106.4610	0.000	1	106.4610	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]2C)	105.5310	0.000	1	105.5310	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CFeHH)(H)	C[6](C[6]C[6]FeH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CFeHH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]FeH)(C[6]C[6]CH)(H)2{4|C<4>}	H(C[6]C[6]2C)	110.7340	0.346	3	110.7340	0.120	3	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.9555	0.267	2	106.6399	0.544	18	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	106.7340	0.000	1	106.6399	0.544	18	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.0405	0.071	2	106.6399	0.544	18	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.5680	1.026	8	106.6399	0.544	18	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2C)	106.5618	0.520	4	106.6399	0.544	18	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<2>,2|C<3>}	H(C[6]C[6]2C)	106.0010	0.000	1	106.6399	0.544	18	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|I<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2C)	106.9990	0.000	1	106.7300	0.145	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2C)	106.4610	0.000	1	106.7300	0.145	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	105.4590	0.000	1	105.4590	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC3)(H)	C[6](C[6]C[6]ClC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC3)(H){1|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]ClC)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.5760	0.000	1	106.5760	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	106.3230	0.000	1	106.5048	0.994	13	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.0350	0.000	1	106.5048	0.994	13	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.6180	0.000	1	106.5048	0.994	13	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	103.4260	0.000	1	106.5048	0.994	13	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.7957	0.155	9	106.5048	0.994	13	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<2>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	107.0880	0.000	1	107.0880	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.0530	0.000	1	106.0530	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCO)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	105.5310	0.000	1	105.5310	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]CO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.6690	0.000	1	107.6690	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	105.9700	0.642	2	106.8098	1.229	4	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2C)	108.1260	0.000	1	106.8098	1.229	4	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.1730	0.000	1	106.8098	1.229	4	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|N<3>,1|P<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	107.2580	0.000	1	107.2580	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]2C)	108.5100	0.000	1	108.5100	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2C)	106.3835	0.040	2	107.0062	0.795	4	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2C)	108.2740	0.000	1	107.0062	0.795	4	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2C)	106.9840	0.000	1	107.0062	0.795	4	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<2>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.4890	0.000	1	106.6748	0.873	9	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.8960	0.243	3	106.6748	0.873	9	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.5020	0.000	1	106.6748	0.873	9	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	105.8485	0.072	4	106.6748	0.873	9	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2C)	107.2680	0.000	1	107.2680	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.6570	1.282	3	107.6570	1.642	3	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.3680	0.000	1	108.3680	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HH)(H){1|O<2>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2C)	107.6545	0.170	2	107.6545	0.029	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	105.3812	0.106	4	105.3812	0.011	4	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.1785	0.149	2	106.1785	0.022	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.2480	0.000	1	106.2480	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.3990	1.759	2	106.3990	3.095	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CClCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CClCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.2980	0.000	1	106.2980	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCo2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCo2C)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.9303	0.969	4	106.9303	0.939	4	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	H(C[6]C[6]2C)	109.2520	0.000	1	109.2520	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	109.5810	0.000	1	108.1463	1.753	3	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.4290	0.646	2	108.1463	1.753	3	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.3005	0.416	2	107.3005	0.173	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	107.2440	0.000	1	107.2440	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.0880	0.000	1	107.9485	0.039	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|Pt<4>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.8090	0.000	1	107.9485	0.039	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	107.4310	0.625	2	107.4310	0.391	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2C)	105.9690	0.000	2	105.9690	0.000	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2C)	110.2770	0.000	1	110.2770	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2C)	109.7020	0.078	2	109.7020	0.006	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.0762	0.861	6	107.0941	0.619	7	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHN)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.2020	0.000	1	107.0941	0.619	7	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.6470	0.000	1	107.7503	0.756	3	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.8020	1.223	2	107.7503	0.756	3	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.3120	0.000	1	108.3120	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	108.0470	0.000	1	108.0470	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHP)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.8497	0.321	3	108.8497	0.103	3	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.3680	0.000	1	108.3680	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[6]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.7810	0.000	1	107.7810	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|N<3>}	H(C[6]C[6]2C)	106.8620	0.000	1	106.8620	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2C)	108.3480	0.000	1	108.3480	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2C)	105.9768	0.878	10	105.9768	0.771	10	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.9050	0.000	1	107.3813	1.921	3	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.6195	0.600	2	107.3813	1.921	3	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.2110	0.000	1	107.2110	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>}	H(C[6]C[6]2C)	108.2770	0.000	1	108.2770	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|O<2>,3|C<3>}	H(C[6]C[6]2C)	108.1840	0.000	1	108.1840	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CC[6a]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.3180	0.078	2	107.3180	0.006	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.3920	0.000	1	107.3920	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	109.4280	0.000	1	109.4280	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2C)	106.9500	0.133	2	106.9500	0.018	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2C)	109.6960	1.276	4	109.6960	1.628	4	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.3370	0.000	1	107.3370	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.0560	0.000	1	108.0560	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CoH)(C[6]C[6]HH)(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CoH)(C[6]C[6]HH)(CCHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Co<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.3540	0.000	1	106.3540	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]FF)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|F<1>}	H(C[6]C[6]2C)	108.0410	0.000	1	108.0410	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]FF)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|F<1>}	H(C[6]C[6]2C)	107.8870	0.000	1	107.6778	0.081	4	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]FF)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|F<1>}	H(C[6]C[6]2C)	107.6080	0.305	3	107.6778	0.081	4	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FeC)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]FeC)(C[6]C[6]HH)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Fe<6>,1|H<1>,3|C<4>}	H(C[6]C[6]2C)	105.9718	0.868	4	105.9718	0.753	4	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CBr3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CBr3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	109.3110	0.000	1	109.3110	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	106.9064	0.338	7	106.9064	0.114	7	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	106.2630	0.000	1	106.2630	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2C)	108.2660	0.000	1	107.7840	0.465	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	107.3020	0.000	1	107.7840	0.465	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	108.3170	0.000	1	108.3170	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	107.1060	0.000	1	107.1060	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2C)	108.4190	0.000	1	108.4280	0.000	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2C)	108.4370	0.000	1	108.4280	0.000	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2C)	106.3360	0.000	1	107.4490	1.288	3	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2C)	108.0055	0.848	2	107.4490	1.288	3	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	106.6840	0.000	1	106.9178	0.522	171	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.9192	0.724	170	106.9178	0.522	171	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2C)	107.1805	0.268	2	107.1805	0.072	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	106.2430	0.000	1	106.9185	0.913	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	107.5940	0.000	1	106.9185	0.913	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.4105	0.204	2	107.4105	0.042	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHO)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHO)(H){1|H<1>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	106.4300	0.000	1	106.4300	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	105.4680	0.451	2	105.4680	0.204	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6]HO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	106.9020	0.000	1	106.9020	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	107.6480	0.000	1	107.6480	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	106.2795	1.077	4	107.0039	0.865	20	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.1850	0.830	16	107.0039	0.865	20	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	106.9850	0.470	3	106.9850	0.221	3	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(H){1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2C)	104.0470	0.000	1	104.0470	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HN)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	107.0030	0.000	1	107.0030	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H){1|H<1>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	105.6800	0.000	1	105.6800	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	107.5785	0.207	2	106.7157	1.015	7	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H){1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	106.6100	0.000	1	106.7157	1.015	7	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	106.3107	1.139	4	106.7157	1.015	7	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2C)	107.8410	0.000	1	107.8410	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2C)	107.9200	0.000	1	108.1560	0.111	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2C)	108.3920	0.000	1	108.1560	0.111	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	108.0422	0.257	4	108.1822	0.147	5	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.7420	0.000	1	108.1822	0.147	5	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2C)	107.9110	0.000	1	107.9110	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	107.1580	0.000	1	107.1580	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	108.5486	1.010	5	108.2518	0.639	9	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	107.8808	0.113	4	108.2518	0.639	9	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	107.1590	0.000	1	107.1590	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2C)	108.4540	0.000	1	108.4540	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2C)	107.5490	0.000	1	107.5490	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|P<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.4400	0.000	1	106.4350	0.424	29	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|P<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.4349	0.663	28	106.4350	0.424	29	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HW)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HW)(CC3)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|W<7>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.5080	0.000	1	107.5080	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HW)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HW)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|W<10>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	109.0320	0.000	1	109.0320	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HW)(CF3)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HW)(CF3)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<4>,1|W<7>,3|H<1>}	H(C[6]C[6]2C)	107.7210	0.000	1	107.7210	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HW)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HW)(CH3)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|W<7>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.7790	0.000	1	107.7790	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]NN)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]NN)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<4>}	H(C[6]C[6]2C)	106.0250	0.000	1	106.0250	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]OO)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2C)	106.1588	2.299	5	106.1588	5.285	5	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6]2C)	104.8410	0.000	1	104.8410	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCHH)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2C)	107.1020	0.000	1	107.1020	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	106.8170	0.000	1	106.8170	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(H){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2C)	106.0150	0.000	1	106.0150	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,3|H<1>}	H(C[6]C[6]2C)	108.8070	0.000	1	108.3085	0.497	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	107.8100	0.000	1	108.3085	0.497	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	106.6320	0.000	1	106.6320	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	107.7010	0.000	1	108.0165	0.199	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	108.3320	0.000	1	108.0165	0.199	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|Br<1>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	108.4965	0.086	2	108.4965	0.007	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]FF)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){2|C<4>,2|F<1>}	C[6](C[6]C[6]CH)(C[6]C[6]FF)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2C)	108.3690	0.000	1	108.3690	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2C)	108.3420	0.000	1	108.1291	0.235	10	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2C)	107.1800	0.000	1	108.1291	0.235	10	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	108.5955	0.046	2	108.1291	0.235	10	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2C)	108.2198	0.345	4	108.1291	0.235	10	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2C)	107.8495	0.428	2	108.1291	0.235	10	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	106.8420	0.078	2	106.8420	0.006	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|Au<2>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2C)	108.4780	0.641	2	108.0464	0.105	12	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2C)	108.0685	0.204	2	108.0464	0.105	12	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)2(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2C)	107.9330	0.181	8	108.0464	0.105	12	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2C)	104.2523	27.061	6	104.2523	732.294	6	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHO)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[6]2C)	107.6015	0.278	2	107.6015	0.077	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CN[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CN[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2C)	108.7090	0.000	1	108.7090	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2C)	105.9665	0.370	11	105.9665	0.137	11	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(CC[3]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(CC[3]CH)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2C)	107.0110	0.000	1	107.0110	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCCH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2C)	107.0000	0.383	3	107.0000	0.147	3	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCFF)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCFF)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	108.0245	1.248	2	108.0245	1.558	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2C)	108.3090	0.628	2	108.3090	0.394	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.9200	0.428	6	107.9200	0.183	6	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	108.5927	0.248	4	108.5927	0.062	4	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CO)(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]CO)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2C)	107.6460	0.387	2	107.6460	0.150	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2C)	108.0700	0.000	1	108.0700	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[5,6]FH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H){1|C<4>,1|F<1>,1|H<1>}	C[6](C[6]C[5,6]FH)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2C)	108.7220	0.000	1	108.7220	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H){1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2C)	108.3029	0.381	23	108.3029	0.145	23	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	108.9280	0.000	1	108.9280	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HO)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(CC[6a]CH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|O<2>,3|H<1>}	H(C[6]C[6]2C)	108.0010	0.000	1	108.0010	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CBHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CBHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.0840	0.000	1	107.0840	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CB[5,5]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CB[5,5]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.9945	0.029	2	106.9945	0.001	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CB[5]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CB[5]CH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2C)	105.7830	0.000	2	105.7830	0.000	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CBrCH)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CBrCH)(H){1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2{1|Br<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.0080	0.000	1	107.0080	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CBrCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CBrCH)(H){1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.9750	0.000	1	106.9750	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CBrHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CBrHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.3880	0.000	1	108.3880	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[4,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.7330	0.030	2	106.7330	0.001	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[5,6]CC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC3)(H){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.6680	0.000	1	106.6680	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2C)	106.5765	0.042	2	106.6262	0.007	4	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.7410	0.000	1	106.6262	0.007	4	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC3)(H){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.6110	0.000	1	106.6262	0.007	4	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.4090	0.040	2	106.4090	0.002	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.3170	0.027	2	106.3170	0.001	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC3)(H){1|Br<1>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	106.2930	0.052	2	106.2930	0.003	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC3)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2C)	105.8360	0.000	1	105.8360	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	106.9623	1.150	3	106.5817	0.727	70	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC3)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.5780	0.011	2	106.5817	0.727	70	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.3687	0.067	3	106.5817	0.727	70	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	106.6210	0.000	1	106.5817	0.727	70	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	106.6440	0.875	31	106.5817	0.727	70	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2C)	106.6164	0.239	5	106.5817	0.727	70	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.2500	1.673	8	106.5817	0.727	70	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.5380	0.214	12	106.5817	0.727	70	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.9920	1.500	2	106.5817	0.727	70	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.4555	0.026	2	106.5817	0.727	70	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC3)(H){1|C<5>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Ti<11>,1|C<4>,1|C<5>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	106.5490	0.000	1	106.5817	0.727	70	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC3)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2C)	105.8570	0.000	1	105.8570	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HW)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC3)(H){1|W<7>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HW)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.2610	0.000	1	107.2610	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	108.4360	0.000	1	107.8505	0.686	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC3)(H){1|W<7>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<4>,1|W<7>,3|H<1>}	H(C[6]C[6]2C)	107.2650	0.000	1	107.8505	0.686	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCCF)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCCF)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	100.9010	0.000	1	100.9010	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCCH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.3160	0.000	1	107.2278	0.500	30	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCCH)(H){1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.0020	0.175	2	107.2278	0.500	30	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.5903	0.387	7	107.2278	0.500	30	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.3992	0.392	6	107.2278	0.500	30	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.4991	0.815	14	107.2278	0.500	30	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCCH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.8205	1.183	2	106.7153	0.733	3	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCCH)(H){1|Si<4>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.5050	0.000	1	106.7153	0.733	3	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCCH)(H){1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.0015	0.262	2	107.0015	0.069	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCCH)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCCH)(H){1|Si<4>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.0340	0.000	1	108.0340	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCCH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	107.2525	0.045	2	107.2525	0.002	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCCN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCCN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.8300	0.000	1	106.8300	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCCN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCCN)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.3380	0.000	1	106.3380	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCCN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCCN)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]2C)	106.5810	0.000	1	106.5810	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCCO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Cl<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.5280	0.000	1	106.5474	0.438	5	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCCO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.9040	0.004	2	106.5474	0.438	5	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCCO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.2005	1.121	2	106.5474	0.438	5	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCCO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|Cl<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.4730	0.000	1	106.4730	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCFH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCFH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.2518	0.302	4	107.2518	0.091	4	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCFH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCFH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.6920	1.096	3	107.6920	1.202	3	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[4,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.2380	0.030	2	107.2380	0.001	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2C)	107.7830	0.177	4	107.7830	0.031	4	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2C)	108.0217	0.044	3	108.0217	0.002	3	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	107.3860	0.000	1	107.6820	1.364	123	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2C)	106.9515	0.056	2	107.6820	1.364	123	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	108.4660	0.024	2	107.6820	1.364	123	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2C)	107.6327	0.567	3	107.6820	1.364	123	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	108.0455	0.373	2	107.6820	1.364	123	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]2C)	107.9310	0.078	3	107.6820	1.364	123	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.4846	1.937	25	107.6820	1.364	123	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	108.4005	1.636	2	107.6820	1.364	123	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]2C)	108.9370	0.000	1	107.6820	1.364	123	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.6973	0.866	68	107.6820	1.364	123	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.1355	1.387	2	107.6820	1.364	123	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.6123	1.123	12	107.6820	1.364	123	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.2905	0.001	2	107.2905	0.000	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2C)	108.0760	0.000	1	107.8398	0.412	63	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.4682	1.146	6	107.8398	0.412	63	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.9323	0.210	6	107.8398	0.412	63	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.9791	0.581	42	107.8398	0.412	63	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.2879	0.327	8	107.8398	0.412	63	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]S[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHH)(H){1|S<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]S[6]HH)(H)2{1|B<5>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.4440	0.426	2	107.3628	0.762	5	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]S[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHH)(H){1|S<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]S[6]HH)(H)2{1|B<6>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.9753	0.165	3	107.3628	0.762	5	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	107.3190	0.000	1	109.6590	4.117	3	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	110.8290	0.140	2	109.6590	4.117	3	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	107.2805	0.083	2	107.5423	0.209	3	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.0660	0.000	1	107.5423	0.209	3	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.4403	0.384	3	107.6640	1.005	74	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.6735	1.021	71	107.6640	1.005	74	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHN)(H){1|O<2>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.5150	0.018	2	108.5150	0.000	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHN)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.4900	0.400	3	107.4900	0.160	3	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2C)	108.7230	0.000	1	107.5783	0.320	101	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.2000	0.000	1	107.5783	0.320	101	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.5604	0.556	99	107.5783	0.320	101	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.0880	0.000	1	108.0880	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[3]CO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[3]CO)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.5330	0.222	3	106.5330	0.049	3	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[3]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[3]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.8555	2.506	4	106.8555	6.278	4	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[3]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[3]HO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.8143	0.305	6	107.8143	0.093	6	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[5]BrH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[5]BrH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.2690	0.008	2	106.2690	0.000	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[5]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[5]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.8601	1.038	18	106.8601	1.077	18	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[5]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[5]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]2C)	108.2230	0.054	2	107.9317	0.052	6	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[5]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[5]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.7860	0.029	4	107.9317	0.052	6	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[5]HH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[5]HH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.8067	0.144	4	107.9245	0.032	10	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[5]HH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[5]HH)(H){1|N<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.0030	0.161	6	107.9245	0.032	10	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[5]HN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[5]HN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.6226	1.330	8	107.6226	1.769	8	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[5a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[5a]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.8500	0.000	1	107.8500	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6]CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[6]CC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	106.5770	0.045	3	106.5770	0.002	3	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[6]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.2297	4.207	4	108.2297	17.703	4	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6]CO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[6]CO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.2310	0.730	8	107.2310	0.533	8	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[6]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2C)	107.5528	1.322	4	107.9376	0.497	22	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[6]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.0231	0.513	18	107.9376	0.497	22	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[6]HO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.8187	0.567	6	107.8187	0.321	6	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6a]2O)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[6a]2O)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2C)	107.6005	0.025	2	107.6005	0.001	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6a]CC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[6a]CC)(H){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2C)	108.4360	0.016	2	108.4360	0.000	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6a]CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[6a]CC)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2C)	107.7260	0.000	1	107.3608	0.064	6	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6a]CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[6a]CC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.3480	0.257	3	107.3608	0.064	6	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6a]CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[6a]CC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.1975	0.032	2	107.3608	0.064	6	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6a]CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[6a]CC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.3257	0.232	3	107.3257	0.054	3	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.0280	0.371	10	108.0280	0.138	10	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6a]CO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[6a]CO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.7940	0.016	2	107.7940	0.000	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6a]CS)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[6a]CS)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2C)	110.1650	2.920	2	110.1650	8.528	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.5550	0.015	4	107.5550	0.000	4	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2C)	107.4940	0.000	1	107.4940	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2C)	107.4890	0.000	1	107.7617	0.468	7	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.5187	0.758	4	107.7617	0.468	7	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|N<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.3840	0.008	2	107.7617	0.468	7	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CC[6a]HS)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CC[6a]HS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.0675	0.021	2	107.0675	0.000	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCdOO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCdOO)(H){1|N<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.1855	0.094	2	108.1855	0.009	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CClCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CClCC)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.2810	0.000	1	106.2810	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCoOO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCoOO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.1065	0.008	2	107.1065	0.000	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CF3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CF3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.5385	0.506	2	108.5385	0.256	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CF3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CF3)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.6985	0.025	2	107.6985	0.001	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[4,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.8275	0.012	2	107.8275	0.000	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.9940	0.000	1	107.9940	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.0210	0.000	1	107.8438	0.436	13	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2C)	107.9243	0.040	4	107.8438	0.436	13	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	107.4490	1.181	4	107.8438	0.436	13	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2C)	108.1140	0.149	4	107.8438	0.436	13	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2{1|Hf<12>,3|H<1>,4|C<4>}	H(C[6]C[6]2C)	108.3995	0.305	2	108.1900	0.100	9	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2{1|Rh<8>,3|H<1>,4|C<4>}	H(C[6]C[6]2C)	107.7490	0.000	1	108.1900	0.100	9	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2{1|Ti<12>,3|H<1>,4|C<4>}	H(C[6]C[6]2C)	108.1160	0.226	2	108.1900	0.100	9	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2{1|Zr<12>,3|H<1>,4|C<4>}	H(C[6]C[6]2C)	108.5020	0.119	2	108.1900	0.100	9	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2{1|Zr<14>,3|H<1>,4|C<4>}	H(C[6]C[6]2C)	107.9630	0.219	2	108.1900	0.100	9	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.1540	0.000	1	107.9647	0.018	4	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2C)	107.8710	0.000	2	107.9647	0.018	4	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.9630	0.000	1	107.9647	0.018	4	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]AuH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|Au<2>,1|C<4>,3|H<1>}	C[6](C[6]C[6]AuH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.6640	0.000	1	107.6640	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	108.5257	0.043	3	108.5257	0.002	3	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]CN)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]CH)(C[6]C[6]CN)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.9080	0.000	1	108.0795	0.059	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]CN)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]CH)(C[6]C[6]CN)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.2510	0.000	1	108.0795	0.059	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<2>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	109.3540	0.000	1	108.5576	0.296	12	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{1|C<3>,1|S<2>,3|H<1>}	H(C[6]C[6]2C)	108.3560	0.000	1	108.5576	0.296	12	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.4981	0.532	10	108.5576	0.296	12	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|Au<2>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.6620	0.000	1	107.8958	1.459	358	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.4040	0.382	2	107.8958	1.459	358	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	107.1637	0.470	4	107.8958	1.459	358	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.7270	0.000	1	107.8958	1.459	358	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.0304	0.169	10	107.8958	1.459	358	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2C)	106.9930	0.000	1	107.8958	1.459	358	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.8200	0.000	1	107.8958	1.459	358	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.0870	0.000	1	107.8958	1.459	358	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2C)	106.8882	0.295	4	107.8958	1.459	358	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	107.8223	0.142	7	107.8958	1.459	358	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.5270	0.000	1	107.8958	1.459	358	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.8917	0.125	3	107.8958	1.459	358	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.3310	0.000	1	107.8958	1.459	358	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.9821	0.173	7	107.8958	1.459	358	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.1981	0.350	24	107.8958	1.459	358	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.7748	0.325	5	107.8958	1.459	358	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2C)	107.4190	0.980	2	107.8958	1.459	358	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	111.9620	0.000	1	107.8958	1.459	358	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.0960	0.058	2	107.8958	1.459	358	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.0365	0.904	183	107.8958	1.459	358	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|P<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.7985	0.281	2	107.8958	1.459	358	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.9049	0.361	34	107.8958	1.459	358	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.8676	0.693	5	107.8958	1.459	358	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.9300	0.097	3	107.8958	1.459	358	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	107.5110	2.151	4	107.8958	1.459	358	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	107.4855	0.030	2	107.8958	1.459	358	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.1060	0.016	2	107.8958	1.459	358	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	105.5575	4.160	14	107.8958	1.459	358	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.6620	0.970	2	107.8958	1.459	358	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|Fe<6>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.2403	0.282	4	107.8958	1.459	358	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.0652	0.648	10	107.8958	1.459	358	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|Pt<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.0940	0.000	1	107.8958	1.459	358	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|Sn<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.0420	0.000	1	107.8958	1.459	358	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|Sn<5>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.1190	0.594	3	107.8958	1.459	358	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.1654	0.318	10	107.8958	1.459	358	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.0178	0.205	6	108.0178	0.042	6	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.2560	0.000	1	108.0345	0.704	185	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<2>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.7680	0.000	1	108.0345	0.704	185	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.0590	0.168	2	108.0345	0.704	185	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.0367	0.849	180	108.0345	0.704	185	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.6200	0.000	1	108.0345	0.704	185	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|P<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.6230	0.000	1	107.9119	0.141	29	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.9222	0.378	28	107.9119	0.141	29	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]NN)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]NN)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.4920	0.000	1	108.4920	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]OO)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]OO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.2140	0.227	5	108.2140	0.051	5	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.2780	0.000	1	107.3915	0.026	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2C)	107.5050	0.000	1	107.3915	0.026	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.7230	0.000	1	108.0504	0.116	100	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2C)	108.6520	0.000	1	108.0504	0.116	100	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2C)	107.5780	0.000	1	108.0504	0.116	100	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.0131	0.350	49	108.0504	0.116	100	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[6]C[6]2C)	108.2538	0.333	10	108.0504	0.116	100	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.9032	0.110	12	108.0504	0.116	100	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.0358	0.409	13	108.0504	0.116	100	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|N<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.2003	0.241	13	108.0504	0.116	100	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<2>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	109.0450	0.000	1	108.0964	0.504	29	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.3730	0.273	2	108.0964	0.504	29	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	107.1197	0.443	4	108.0964	0.504	29	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.0312	0.112	8	108.0964	0.504	29	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	108.4820	0.041	3	108.0964	0.504	29	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.3830	0.037	2	108.0964	0.504	29	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2C)	108.5775	1.440	4	108.0964	0.504	29	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.0593	0.366	3	108.0964	0.504	29	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.4550	0.000	1	108.0964	0.504	29	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|Pt<4>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.1200	0.000	1	108.0964	0.504	29	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]FeC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|Fe<6>,2|C<4>,2|H<1>}	C[6](C[6]C[6]FeC)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.2615	0.263	4	108.2615	0.069	4	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.1746	0.365	24	108.1746	0.133	24	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.6040	0.000	1	107.6040	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|P<3>,3|H<1>}	C[6](C[6]C[6]P[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.9850	0.000	1	107.8780	0.013	6	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]P[6]H)(C[6]C[6]CH)(H)2{1|B<4>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.8053	0.119	3	107.8780	0.013	6	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]P[6]H)(C[6]C[6]CH)(H)2{1|Pd<4>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.9335	0.029	2	107.8780	0.013	6	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]PtC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|Pt<4>,1|H<1>,3|C<4>}	C[6](C[6]C[6]PtC)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.1130	0.000	1	108.1130	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]PtH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|Pt<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]PtH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.1790	0.000	1	108.1790	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|Si<4>,1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.5030	0.000	1	108.3750	0.033	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|Si<4>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.2470	0.000	1	108.3750	0.033	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]SnH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|Sn<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]SnH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.1180	0.000	1	107.8457	0.066	3	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]SnH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|Sn<5>,1|C<4>,3|H<1>}	C[6](C[6]C[6]SnH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.7095	0.141	2	107.8457	0.066	3	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{3|C<3>,4|H<1>}	H(C[6]C[6]2C)	108.3470	0.000	1	107.6233	0.660	3	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2C)	106.7450	0.000	1	107.6233	0.660	3	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.7780	0.000	1	107.6233	0.660	3	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.6960	0.000	1	108.2020	0.488	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	107.7080	0.000	1	108.2020	0.488	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHHI)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CHHI)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.6095	0.025	2	108.6095	0.001	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHHI)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CHHI)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	108.9270	0.666	2	108.9270	0.444	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.8119	1.203	23	107.9033	0.837	49	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	108.3740	0.074	4	107.9033	0.837	49	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.8892	0.380	12	107.9033	0.837	49	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.9100	0.291	6	107.9033	0.837	49	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CHHN)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	109.3690	0.000	1	107.9033	0.837	49	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CHHN)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.5313	1.156	3	107.9033	0.837	49	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CHHN)(H){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.8910	0.000	1	108.8910	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CHHN)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.2927	0.241	4	109.8027	7.073	16	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CHHN)(H){1|N<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	110.3060	2.920	12	109.8027	7.073	16	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHHN)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CHHN)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.4887	1.157	3	107.4550	0.737	5	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHHN)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CHHN)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.4045	0.513	2	107.4550	0.737	5	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CHHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.0883	0.231	8	107.9397	0.066	28	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CHHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.9559	0.228	10	107.9397	0.066	28	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CHHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.8047	0.251	10	107.9397	0.066	28	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CHHO)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.0340	0.052	2	108.0340	0.003	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CHHO)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.2620	0.065	2	108.2740	0.259	6	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CHHO)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.2800	0.656	4	108.2740	0.259	6	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CHHP)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CHHP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.7404	0.443	40	107.7404	0.196	40	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CMgNN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CMgNN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	105.2308	1.834	4	105.2308	3.364	4	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CMnOO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CMnOO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.1415	0.021	2	107.1415	0.000	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CNPU)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CNPU)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	105.8090	0.031	2	105.8090	0.001	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CN[5]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CN[5]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.0330	0.124	2	108.0330	0.015	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CN[5]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CN[5]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.8592	0.302	5	107.9818	0.413	24	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CN[5]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CN[5]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.0141	0.709	19	107.9818	0.413	24	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CN[5a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CN[5a]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.0923	0.225	6	108.0923	0.050	6	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CN[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CN[6]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.9250	1.751	2	107.9250	3.065	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(COsCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(COsCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.2985	0.033	2	108.2985	0.001	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CThCP)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CThCP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	105.6185	0.073	2	105.6185	0.005	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]IrH)(C[6]C[6]HH)(CHHP)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]IrH)(C[6]C[6]HH)(CHHP)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Ir<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	104.8995	0.545	2	105.6941	2.526	14	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]IrH)(C[6]C[6]HH)(CHHP)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]IrH)(C[6]C[6]HH)(CHHP)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Ir<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	104.5828	1.570	6	105.6941	2.526	14	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]IrH)(C[6]C[6]HH)(CHHP)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]IrH)(C[6]C[6]HH)(CHHP)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Ir<5>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.0703	0.186	6	105.6941	2.526	14	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	105.1650	0.444	23	105.1650	0.197	23	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(CC[6a]HN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(CC[6a]HN)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	107.2980	2.232	2	107.2980	4.980	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|P<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.7350	0.000	1	106.7350	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(CCCH)(H){1|B<4>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|P<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.4147	0.180	3	106.5185	0.164	6	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|P<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.0750	0.000	1	106.5185	0.164	6	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(CCCH)(H){1|Pd<4>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|P<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.8960	0.489	2	106.5185	0.164	6	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]PdH)(C[6]C[6]HH)(CHHP)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]PdH)(C[6]C[6]HH)(CHHP)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Pd<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.9257	1.136	6	106.9257	1.290	6	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]PtH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]PtH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Pt<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.7100	0.000	1	106.7100	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]PtH)(C[6]C[6]HH)(CHHP)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]PtH)(C[6]C[6]HH)(CHHP)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Pt<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.2995	0.343	2	107.2995	0.118	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(CHHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.6020	0.000	1	106.6020	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]SnH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]SnH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Sn<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.7190	0.000	1	106.3825	0.105	4	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]SnH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]SnH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Sn<5>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.2703	0.287	3	106.3825	0.105	4	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.7060	0.000	1	106.7060	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.7865	0.210	2	107.7865	0.044	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH)(H){1|N<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.3790	0.000	1	107.3790	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHHO)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.3680	0.000	1	108.3680	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(CHHN)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	108.4840	0.791	5	108.4840	0.625	5	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	104.8840	0.000	1	104.8840	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.0450	0.000	1	107.0450	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.8390	0.000	1	108.2290	0.304	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.6190	0.000	1	108.2290	0.304	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,3|H<1>}	H(C[6]C[6]2C)	107.9570	0.000	1	107.8925	0.213	4	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.6415	0.562	2	107.8925	0.213	4	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.3300	0.000	1	107.8925	0.213	4	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6]CH)2(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.9940	0.743	4	108.0893	0.324	7	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.0710	0.279	2	108.0893	0.324	7	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2C)	108.5070	0.000	1	108.0893	0.324	7	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CCCN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CCCN)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	107.5470	0.000	1	107.5470	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CF3)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CF3)(H){2|C<4>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	109.0070	0.361	2	109.0070	0.130	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	108.4267	0.102	3	108.4267	0.010	3	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[4,6]CC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>}	C[6](C[6]C[4,6]CC)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	108.3260	0.000	1	108.3260	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2C)	108.5160	0.000	1	108.5160	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	107.9480	0.000	1	107.9480	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(CH3)(H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2C)	106.9990	0.000	1	106.9990	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(CCHH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2C)	106.5950	0.000	1	106.5950	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.1540	0.000	1	107.1540	0.000	1	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CCHH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	107.6515	0.067	2	107.6515	0.005	2	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	108.7750	0.000	2	107.8781	0.496	8	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|N<3>,1|N<4>,3|H<1>}	H(C[6]C[6]2C)	107.6400	0.000	1	107.8781	0.496	8	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|N<3>,3|H<1>}	H(C[6]C[6]2C)	108.1480	0.000	1	107.8781	0.496	8	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	107.6307	0.434	3	107.8781	0.496	8	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2C)	106.7950	0.000	1	107.8781	0.496	8	107.5391	2.716	2747	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.7430	0.000	1	108.7430	0.000	1	108.9132	46.379	26	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.7820	0.000	1	108.7820	0.000	1	108.9132	46.379	26	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.6800	0.610	4	108.6800	0.372	4	108.9132	46.379	26	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN)(H)	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	109.8699	15.150	6	109.8699	229.532	6	108.9132	46.379	26	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CN[6]HH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CN[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.6660	0.000	1	108.6660	0.000	1	108.9132	46.379	26	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(C[6]N[6]HH)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.7170	1.444	2	108.7170	2.085	2	108.9132	46.379	26	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.8080	0.011	2	108.8080	0.000	2	108.9132	46.379	26	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.5069	0.388	9	108.5069	0.151	9	108.9132	46.379	26	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	In[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]In[6]HH)(C[6]C[6]CC)(CCHH)(H)	C[6](In[6]O[6]Br2)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]In[6]HH)(C[6]C[6]CC)(CCHH)(H){2|Br<1>,2|O<2>}	C[6](In[6]O[6]Br2)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]2C)	105.9710	0.000	1	105.9710	0.000	1	105.9710	0.000	1	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2C)	108.5170	0.000	1	108.5170	0.000	1	108.4945	0.001	2	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H)	C[6](N[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](N[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.4720	0.000	1	108.4720	0.000	1	108.4945	0.001	2	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCHH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.3820	0.014	2	107.3820	0.000	2	107.6295	0.852	4	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2C)	106.8020	0.000	1	106.8020	0.000	1	107.6295	0.852	4	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)2(CCHH)(H)	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]N[6,6]HH)2(CCHH)(H){4|C<4>}	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2C)	108.9520	0.000	1	108.9520	0.000	1	107.6295	0.852	4	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CHHS)(H)	C[6](N[6]C[6,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CHHS)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6,6]CH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	109.7670	0.000	1	109.7670	0.000	1	108.8810	0.798	3	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](N[6]C[6a]C[6]Au)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|Au<2>,1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6a]C[6]Au)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2C)	108.4380	0.646	2	108.4380	0.418	2	108.8810	0.798	3	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	Si[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]Si[5,6,6]HH)(C[6]Si[6]CH)(CH3)(H)	C[6](Si[5,6,6]C[5,6]2C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]Si[5,6,6]HH)(C[6]Si[6]CH)(CH3)(H){2|C<3>,3|C<4>}	C[6](Si[5,6,6]C[5,6]2C[6])(C[6]C[6]CH)(H)2{2|Si<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.4292	0.277	4	107.4292	0.077	4	107.4292	0.077	4	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[4]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(C[4]C[4]2Fe)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4]C[6]H)(H)2	H(C[6]C[4]C[6]2)	C[6](C[6]C[6,6]HH)2(C[4]C[4]2Fe)(H){2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4]C[6]H)(H)2{1|Fe<7>,4|C<4>,6|H<1>}	H(C[6]C[4]C[6]2)	109.1322	0.254	16	109.1322	0.064	16	109.1322	0.064	16	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[5]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(C[5]C[5]2Cl)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	H(C[6]C[5]C[6]2)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2Cl)(H){2|H<1>,3|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{1|Cl<1>,2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[5]C[6]2)	106.9025	0.042	2	106.9025	0.002	2	107.0698	0.036	9	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[5]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(C[5]C[5]2H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	H(C[6]C[5]C[6]2)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2H)(H){2|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[5]C[6]2)	107.1852	0.077	4	107.1853	0.004	6	107.0698	0.036	9	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[5]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(C[5]C[5]2H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	H(C[6]C[5]C[6]2)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2H)(H){2|H<1>,3|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[5]C[6]2)	107.1855	0.016	2	107.1853	0.004	6	107.0698	0.036	9	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[5]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)2(C[5]C[5]2O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	H(C[6]C[5]C[6]2)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2O)(H){2|H<1>,3|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[5]C[6]2)	106.7110	0.000	1	106.7110	0.000	1	107.0698	0.036	9	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]S[6]2)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]2H)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6a]S[6]2)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]2H)(H)2{2|C<3>,2|C<4>,2|H<1>,2|S<2>}	H(C[6]C[6]3)	106.8470	0.000	2	106.8470	0.000	2	106.8470	0.000	2	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]N)(C[6]C[6,6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]O[6]N)(C[6]C[6,6]HH)2(H){1|C<3>,1|N<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6]3)	107.5170	2.628	2	107.5170	6.904	2	107.5170	6.904	2	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]3)	106.3050	0.000	1	106.3050	0.000	1	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]2H)(H)2	H(C[6]C[6]3)	C[6](C[6]C[5,6]HO)(C[6]C[6]2C)(C[6]C[6]HH)(H){5|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]2H)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[6]3)	106.4720	0.000	1	106.4720	0.000	1	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6,6a]2H)(C[6]C[6]HH)2(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]3)	107.6295	0.665	4	107.6295	0.442	4	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6,6]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6,6a]C[6,6]H)(C[6]C[6]HH)2(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]3)	106.5840	0.031	2	106.5840	0.001	2	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)2(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]3)	107.1535	0.026	2	106.8063	0.161	4	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]3)	106.4590	0.025	2	106.8063	0.161	4	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N[6]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6,6a]N[6]H)(C[6]C[6]HH)2(H){1|C<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]3)	106.0772	0.246	4	106.1083	0.045	6	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N[6]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6,6a]N[6]H)(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]3)	106.1705	0.170	2	106.1083	0.045	6	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N[6]H)(C[6]C[6]N[6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6,6a]N[6]H)(C[6]C[6]N[6]H)(C[6]C[6]HH)(H){1|S<4>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<4>,4|H<1>}	H(C[6]C[6]3)	105.6090	0.000	1	105.6090	0.000	1	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]2C)(C[6]C[6]HH)2(H){1|C<4>,2|N<3>,2|O<1>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]3)	106.0705	0.187	4	106.5140	0.493	6	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]2C)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]3)	107.4010	0.011	2	106.5140	0.493	6	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){5|C<4>,6|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]3)	106.8650	0.000	1	106.8650	0.000	1	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|N<4>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]3)	104.9510	0.000	1	104.9510	0.000	1	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]3)	105.4220	0.000	1	105.4220	0.000	1	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]CH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]CH)(H){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,4|H<1>}	H(C[6]C[6]3)	107.3040	0.000	1	107.3040	0.000	1	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]2H)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){3|C<4>,8|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]2H)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6]3)	107.4690	0.035	2	107.4690	0.001	2	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]3)	108.4747	0.211	3	107.5515	0.544	39	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,8|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]3)	108.2820	0.000	1	107.5515	0.544	39	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,8|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]3)	108.1498	0.441	12	107.5515	0.544	39	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]3)	107.9695	0.086	2	107.5515	0.544	39	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,7|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]3)	106.8615	0.297	4	107.5515	0.544	39	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]3)	107.4810	0.048	2	107.5515	0.544	39	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]3)	106.4940	0.035	2	107.5515	0.544	39	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){3|C<4>,8|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<2>,3|C<4>,4|H<1>}	H(C[6]C[6]3)	106.4560	0.020	2	107.5515	0.544	39	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){3|C<4>,8|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]3)	107.1438	0.450	6	107.5515	0.544	39	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){3|C<4>,8|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]3)	107.1790	0.541	5	107.5515	0.544	39	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|N<3>,2|C<4>,8|H<1>}	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]3)	107.7477	0.272	4	108.1225	0.692	40	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|N<4>,2|C<4>,8|H<1>}	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]3)	108.1512	0.888	34	108.1225	0.692	40	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|N<4>,2|C<4>,8|H<1>}	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]3)	108.3850	0.037	2	108.1225	0.692	40	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]O[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){2|C<3>,2|O<2>,6|H<1>}	C[6](C[6]C[6]2H)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]3)	108.0160	0.000	1	108.0160	0.000	1	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2N)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]2N)(C[6]C[6]CN)(C[6]C[6]HH)(H){3|C<4>,8|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|N<3>,3|C<4>}	H(C[6]C[6]3)	105.9810	0.000	1	105.9810	0.000	1	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(H){3|C<4>,8|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]3)	106.3893	0.190	3	106.3893	0.036	3	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(C[6]O[6]2H)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]HH)2(C[6]O[6]2H)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,2|O<2>,5|H<1>}	H(C[6]C[6]3)	107.1470	3.147	3	107.1470	9.904	3	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]C)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]N[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6]C[6]3)	106.3010	0.000	1	106.7330	0.373	2	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]C)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]N[6]C)(C[6]C[6]HH)2(H){1|O<1>,3|C<4>,6|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,4|H<1>}	H(C[6]C[6]3)	107.1650	0.000	1	106.7330	0.373	2	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,2|O<1>,4|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]3)	108.0070	0.000	2	107.5657	0.584	3	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]3)	106.6830	0.000	1	107.5657	0.584	3	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]HO)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]HO)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|N<3>,3|H<1>}	H(C[6]C[6]3)	106.1990	0.000	1	106.1990	0.000	1	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|S<4>,7|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]3)	106.6105	0.219	4	107.2731	0.532	8	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)2(H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]3)	107.9357	0.150	4	107.2731	0.532	8	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]2H)(C[6]O[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<1>,2|O<2>}	C[6](C[6]C[6]2H)(C[6]O[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]3)	107.6218	0.083	4	107.6218	0.007	4	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6]3)	105.7100	0.000	1	105.7100	0.000	1	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H){1|Br<1>,3|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]3)	107.9000	0.092	2	108.2140	1.879	15	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]3)	107.6780	0.027	4	108.2140	1.879	15	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]3)	107.7970	0.000	1	108.2140	1.879	15	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]3)	111.3015	1.911	2	108.2140	1.879	15	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H){1|S<4>,2|C<4>,6|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]3)	107.2925	0.006	2	108.2140	1.879	15	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]3)	107.8495	0.071	2	108.2140	1.879	15	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H){3|C<4>,6|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]3)	108.0070	0.018	2	108.2140	1.879	15	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]O[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H){1|C<4>,2|H<1>,2|O<1>,2|O<2>}	C[6](C[6]C[6]2H)(C[6]O[6]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]3)	107.5920	0.000	1	107.5296	0.011	5	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]O[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H){2|C<4>,3|O<2>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]3)	107.5140	0.113	4	107.5296	0.011	5	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]C[6]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]N[5,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]3)	108.1100	0.021	4	108.1100	0.000	4	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]O[6]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]N[5a,6]O[6]H)(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(C[6]C[6]3)	108.1775	0.029	2	108.1775	0.001	2	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6,6]C[6]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]N[6,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|S<4>,2|C<4>,6|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]3)	108.0690	0.007	2	108.0690	0.000	2	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]O[6]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]3)	C[6](C[6]N[6]O[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(C[6]C[6]3)	108.2130	0.017	2	108.2130	0.000	2	107.5299	1.099	167	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(NH3)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[5,6]HH)2(NH3)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HN)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2N)	106.5935	0.026	2	106.5935	0.001	2	106.5935	0.001	2	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC3)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.2190	0.000	2	107.2190	0.000	2	107.2190	0.000	2	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(NCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(F)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(NCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(F)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.9100	0.000	1	108.9100	0.000	1	108.9100	0.000	1	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCHH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCHH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]2N)	108.0820	0.000	1	108.0820	0.000	1	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(NCHH)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(NCHH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2N)	108.1017	0.304	4	108.1017	0.092	4	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	106.2490	0.059	2	106.7270	0.306	4	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2N)	107.2050	0.000	2	106.7270	0.306	4	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(NH3)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(NH3)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2N)	109.4960	0.000	1	109.4960	0.000	1	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(NH3)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(NH3)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2N)	108.6270	0.000	1	108.6270	0.000	1	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2N)	107.9450	0.776	2	107.9450	0.603	2	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	106.0860	0.000	1	106.0860	0.000	1	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2N)	107.7790	0.124	2	107.7790	0.015	2	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(NCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(NCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6]2N)	108.9540	0.000	1	108.9540	0.000	1	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	106.2885	0.194	2	106.2885	0.038	2	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	107.7618	0.640	18	107.7618	0.409	18	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	107.8632	1.624	5	107.8347	2.115	6	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	107.6920	0.000	1	107.8347	2.115	6	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	108.1383	0.338	3	108.6894	1.658	23	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	108.7720	1.361	20	108.6894	1.658	23	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6a]CoC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6a]CoC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	107.2285	0.274	2	107.2285	0.075	2	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6a]FeC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6a]FeC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	107.2135	1.225	2	107.2135	1.502	2	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6a]MnC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6a]MnC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	106.8905	0.395	2	106.8905	0.156	2	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCdCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCdCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	105.1076	4.288	5	105.1076	18.384	5	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCdCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCdCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	108.3340	0.541	3	108.3340	0.292	3	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCdHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCdHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	107.5950	0.000	1	107.5950	0.000	1	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	107.4550	0.000	1	107.4550	0.000	1	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	108.0793	0.124	3	108.2658	0.043	12	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	108.3279	0.193	9	108.2658	0.043	12	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCrHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCrHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	108.1300	0.268	14	108.1300	0.072	14	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	106.6102	1.241	43	106.6102	1.540	43	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	110.6340	0.000	1	108.4005	0.684	11	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	108.1772	0.388	10	108.4005	0.684	11	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	104.6920	0.000	1	107.5437	1.027	11	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	107.8289	0.384	10	107.5437	1.027	11	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	106.5899	0.936	16	106.5899	0.876	16	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	108.0140	0.460	2	108.0140	0.211	2	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	108.2080	0.035	2	108.0520	0.217	4	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	107.8960	0.744	2	108.0520	0.217	4	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2N)	108.6330	0.000	1	108.6677	0.720	43	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	108.5927	0.147	6	108.6677	0.720	43	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	108.6811	0.927	36	108.6677	0.720	43	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHgCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHgCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	106.6475	0.675	8	106.6475	0.455	8	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHgCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHgCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	107.8230	0.000	1	107.8230	0.000	1	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHgHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHgHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	106.7930	0.000	1	106.7930	0.000	1	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NIrCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NIrCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	108.9580	0.529	2	108.9580	0.280	2	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NIrHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NIrHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	107.8500	0.000	1	108.2400	0.184	10	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NIrHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NIrHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	108.2833	0.431	9	108.2400	0.184	10	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NLi2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NLi2C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	108.6830	0.539	2	108.6830	0.290	2	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NLiCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NLiCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	106.6020	0.504	47	106.6020	0.254	47	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NLiSiH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NLiSiH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	107.8490	0.530	2	107.8490	0.281	2	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMgCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMgCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	106.8210	0.194	2	106.8210	0.038	2	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	107.0349	0.652	12	107.0349	0.426	12	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	107.3990	0.308	2	107.8167	0.297	7	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	107.9838	0.547	5	107.8167	0.297	7	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMoCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMoCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	106.3290	0.000	1	106.3290	0.000	1	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	106.9995	0.526	4	106.9995	0.277	4	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	107.7532	0.638	16	107.7532	0.407	16	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	108.1600	0.000	1	107.9232	0.251	10	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	107.8969	0.524	9	107.9232	0.251	10	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPdCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPdCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	107.9535	1.734	4	107.9535	3.007	4	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPdHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPdHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	107.4785	0.121	2	107.4785	0.015	2	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPdHH)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPdHH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|N<4>}	H(C[6]C[6]2N)	109.4523	0.748	3	109.4523	0.559	3	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPtHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPtHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	106.8129	3.371	47	106.8129	11.364	47	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPtHH)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPtHH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|N<4>}	H(C[6]C[6]2N)	109.0430	0.810	2	109.0430	0.657	2	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRhCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRhCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	107.6540	0.000	1	107.6540	0.000	1	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRuCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRuCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	106.8975	0.353	4	106.8975	0.125	4	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRuCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRuCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	108.2913	0.328	3	108.2913	0.107	3	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRuHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRuHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	107.8478	0.612	9	107.8478	0.374	9	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NSiSnC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NSiSnC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	105.6310	0.000	1	105.6310	0.000	1	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NSnHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NSnHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	103.8460	0.000	1	103.8460	0.000	1	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	106.6166	0.183	7	106.7430	0.278	57	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	106.7607	0.558	50	106.7430	0.278	57	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	108.8100	0.076	2	108.5483	0.251	12	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	108.4960	0.537	10	108.5483	0.251	12	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	109.0950	0.290	4	109.0950	0.084	4	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	106.3930	0.000	1	106.3930	0.000	1	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	107.3760	0.000	1	107.3760	0.000	1	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	108.3900	0.000	1	108.3900	0.000	1	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	107.9060	1.022	2	107.9060	1.045	2	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCuCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCuCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<3>,3|H<1>}	H(C[6]C[6]2N)	108.0220	0.151	2	108.0220	0.023	2	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	109.0570	0.000	1	109.0570	0.000	1	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2N)	108.4675	0.170	2	108.4675	0.029	2	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H)	C[6](C[6]C[6]HN)2(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	108.6098	0.635	4	108.7195	0.246	10	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H)	C[6](C[6]C[6]HN)2(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	108.7927	0.430	6	108.7195	0.246	10	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2N)	108.0410	0.000	1	109.1178	3.353	4	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2N)	109.4767	2.063	3	109.1178	3.353	4	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(NH3)(H)	C[6](C[6]C[6]HN)(C[6]P[6]FH)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(NH3)(H){1|F<1>,1|H<1>,1|P<4>}	C[6](C[6]C[6]HN)(C[6]P[6]FH)(H)2{1|O<2>,2|H<1>,2|O<1>}	H(C[6]C[6]2N)	107.5560	0.000	2	107.5560	0.000	2	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NAl2C)(H)	C[6](C[6]C[6]HN)2(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NAl2C)(H){1|C<4>,1|N<3>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.1773	0.098	8	108.1773	0.010	8	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.9635	0.028	2	106.9635	0.001	2	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC3)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC3)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2N)	107.8558	0.331	5	107.8558	0.110	5	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.9663	0.524	12	107.9663	0.274	12	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCCH)(H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCCH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2N)	108.8310	0.033	2	108.8310	0.001	2	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	108.9403	0.051	4	108.4294	0.644	49	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.3840	0.822	45	108.4294	0.644	49	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCHH)(H)	C[6](C[6]C[6]HN)2(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCHH)(H){1|C<4>,2|H<1>,2|N<4>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.3280	0.092	6	108.3280	0.008	6	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6]CH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.7602	0.799	4	107.7602	0.638	4	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6]HH)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2N)	109.1865	0.052	2	108.5682	0.200	300	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.5641	0.446	298	108.5682	0.200	300	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6]HH)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6]HH)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2N)	109.5670	0.068	2	109.5670	0.005	2	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6]PdC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6]PdC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.5723	0.604	3	106.5723	0.365	3	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6]PdH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6]PdH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.9950	0.341	2	107.9950	0.116	2	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCoCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCoCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.8030	0.013	2	106.8030	0.000	2	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCrHH)(H)	C[6](C[6]C[6]HN)2(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCrHH)(H){1|C<4>,1|N<3>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.3095	2.504	4	108.3095	6.271	4	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCuCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCuCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.5383	0.416	7	106.5383	0.173	7	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCuCH)(H)	C[6](C[6]C[6]HN)2(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCuCH)(H){1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HN)2(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2N)	110.8900	2.701	4	108.1034	4.558	21	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCuCH)(H)	C[6](C[6]C[6]HN)2(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCuCH)(H){1|C<4>,2|H<1>,2|N<4>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.4477	1.390	17	108.1034	4.558	21	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCuHH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCuHH)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.0621	0.129	8	108.0621	0.017	8	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCuHH)(H)	C[6](C[6]C[6]HN)2(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCuHH)(H){1|C<4>,1|N<3>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.4067	1.372	12	108.2726	1.128	20	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCuHH)(H)	C[6](C[6]C[6]HN)2(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCuHH)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.0716	0.165	8	108.2726	1.128	20	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NFeHH)(H)	C[6](C[6]C[6]HN)2(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NFeHH)(H){1|C<4>,2|H<1>,2|N<4>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.3708	0.302	5	108.3708	0.091	5	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NH3)(H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HN)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2N)	108.2593	0.032	3	108.2593	0.001	3	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NH3)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NH3)(H){5|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	110.2412	2.057	6	110.2412	4.232	6	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.6830	0.000	1	108.6830	0.000	1	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.7460	0.000	1	108.2098	5.103	245	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<2>,1|C<4>,3|H<1>}	H(C[6]C[6]2N)	107.9420	0.088	2	108.2098	5.103	245	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2N)	108.4416	0.608	14	108.2098	5.103	245	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	109.9102	1.051	6	108.2098	5.103	245	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	108.4566	0.981	53	108.2098	5.103	245	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	108.4973	1.122	6	108.2098	5.103	245	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.0231	2.698	159	108.2098	5.103	245	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2N)	108.5705	0.169	4	108.2098	5.103	245	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NH3)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NH3)(H){1|N<4>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	109.9866	1.688	5	109.9866	2.849	5	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NH3)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HH)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NH3)(H){1|O<2>,4|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2N)	107.8563	0.737	4	107.8563	0.543	4	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NH3)(H)	C[6](C[6]C[6]HN)2(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NH3)(H){1|C<4>,2|H<1>,2|N<4>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.8503	0.405	8	108.8503	0.164	8	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NHHO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NHHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.9015	0.026	2	108.9015	0.001	2	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NHHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NHHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.2360	0.016	2	108.2360	0.000	2	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NLi2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NLi2C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.4477	0.354	6	108.4477	0.125	6	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NLiPrC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NLiPrC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.2297	0.579	6	108.2297	0.335	6	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NMg2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NMg2C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.2858	0.152	5	108.2858	0.023	5	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NMn2Sb)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NMn2Sb)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.1080	0.048	2	108.1080	0.002	2	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NMnSb2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NMnSb2)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.0940	0.034	2	107.0940	0.001	2	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NNiCC)(H)	C[6](C[6]C[6]HN)2(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NNiCC)(H){1|C<4>,2|H<1>,2|N<4>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.4080	0.034	4	107.4080	0.001	4	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NNiCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NNiCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.5200	0.000	1	106.5200	0.000	1	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NPdHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NPdHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.0307	0.470	6	108.0307	0.221	6	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NPdHH)(H)	C[6](C[6]C[6]HN)2(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NPdHH)(H){1|C<4>,2|H<1>,2|N<4>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.8930	0.599	36	107.8930	0.359	36	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NPtCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NPtCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.6138	0.304	6	107.6138	0.092	6	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NPtHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NPtHH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.9990	0.000	1	108.1834	0.070	13	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NPtHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NPtHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	108.1485	0.057	2	108.1834	0.070	13	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NPtHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NPtHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.2088	0.297	10	108.1834	0.070	13	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NPtHH)(H)	C[6](C[6]C[6]HN)2(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NPtHH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.0150	0.000	1	108.0150	0.000	1	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NRuCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NRuCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2N)	107.3995	0.023	2	107.3995	0.001	2	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NRuHH)(H)	C[6](C[6]C[6]HN)2(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NRuHH)(H){1|C<4>,2|H<1>,2|N<4>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.1339	0.340	24	108.1339	0.115	24	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NSbCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NSbCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.5296	0.287	8	106.5296	0.082	8	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NZnCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NZnCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.9468	0.582	24	106.9468	0.339	24	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NZnCC)(H)	C[6](C[6]C[6]HN)2(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NZnCC)(H){1|C<4>,2|H<1>,2|N<4>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.2055	0.012	2	107.2055	0.000	2	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NZnCH)(H)	C[6](C[6]C[6]HN)2(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NZnCH)(H){1|C<4>,2|H<1>,2|N<4>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.8155	0.052	2	107.8155	0.003	2	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(NH3)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HN)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(NH3)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HN)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2N)	108.8050	0.000	1	108.8050	0.000	1	107.9712	2.267	1428	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NH3)(H)	C[6](C[6]C[6]HN)(N[6]C[6]HH)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HN)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2N)	109.2940	2.264	3	109.2940	5.128	3	109.2940	5.128	3	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(N[5]C[5]2H)(H)	C[6](C[6]C[6]N[5]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(N[5]C[5]2H)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]O[6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[6]2N[5])	108.2700	0.000	1	108.2700	0.000	1	107.6897	0.264	3	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(N[5]C[5]2C)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(N[5]C[5]2C)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6]2N[5])	107.5060	0.000	1	107.5060	0.000	1	107.6897	0.264	3	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[5]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[5]C[5]2H)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[5]C[5]2H)(H){3|C<4>,8|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	107.2930	0.000	1	107.2930	0.000	1	107.6897	0.264	3	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]2H)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]2H)(H){1|C<3>,1|N<2>,3|C<4>,9|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2N[6])	105.9320	0.000	1	105.9320	0.000	1	107.6666	0.818	11	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[6]C[6]2H)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[6]C[6]2H)(H){3|C<4>,8|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2N[6])	107.2030	0.057	2	107.2030	0.003	2	107.6666	0.818	11	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[6]C[6]2H)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)2(N[6]C[6]2H)(H){3|C<4>,8|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2N[6])	107.5800	0.017	2	107.4205	0.034	4	107.6666	0.818	11	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[6]C[6]2H)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)2(N[6]C[6]2H)(H){3|C<4>,8|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2N[6])	107.2610	0.014	2	107.4205	0.034	4	107.6666	0.818	11	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[6]C[6]2H)(H)	C[6](C[6]C[6]N[6]H)(C[6]N[6,6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)2(N[6]C[6]2H)(H){1|N<4>,2|C<4>,8|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]N[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6]2N[6])	108.7860	0.074	2	108.7860	0.005	2	107.6666	0.818	11	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]HH)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]HH)(H){3|C<4>,8|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	H(C[6]C[6]2N[6])	108.3705	0.944	2	108.3705	0.891	2	107.6666	0.818	11	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OLiMg2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OLiMg2)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.2507	0.179	6	108.2507	0.032	6	108.2595	0.023	8	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:O-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OMg3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OMg3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.2860	0.011	2	108.2860	0.000	2	108.2595	0.023	8	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[6]HH)(C[6]C[6]CH)(PC[6a]3)(H)	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]B[6]HH)(C[6]C[6]CH)(PC[6a]3)(H){1|C<4>,3|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2{1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6]2P)	106.9070	0.000	1	106.9070	0.000	1	107.0030	1.072	5	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC3)(H)	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC3)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2P)	105.8900	0.000	1	105.8900	0.000	1	107.0030	1.072	5	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC3)(H)	C[6](B[6]C[6a]2O[6])(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC3)(H){1|O<2>,2|C<3>,2|C<4>}	C[6](B[6]C[6a]2O[6])(C[6]C[6]HP)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2P)	107.2130	1.526	2	107.2130	2.328	2	107.0030	1.072	5	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC[6a]3)(H)	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC[6a]3)(H){2|H<1>,3|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2P)	107.7920	0.000	1	107.7920	0.000	1	107.0030	1.072	5	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC3)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|B<4>,4|H<1>}	H(C[6]C[6]2P)	105.9400	0.000	1	105.9400	0.000	1	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC3)(H)	C[6](C[6]C[6]HP)(C[6]O[6]CC)(H)2	H(C[6]C[6]2P)	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC3)(H){1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6]HP)(C[6]O[6]CC)(H)2{1|B<4>,2|H<1>}	H(C[6]C[6]2P)	107.2060	1.433	2	107.2060	2.052	2	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC[6a]3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC[6a]3)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|B<4>,3|H<1>}	H(C[6]C[6]2P)	107.8420	0.000	1	107.8420	0.000	1	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(PC[6a]2O)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(PC[6a]2O)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HP)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2P)	109.1800	0.000	1	109.1800	0.000	1	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(PC[6a]CO)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(PC[6a]CO)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HP)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2P)	108.0820	0.000	1	108.0820	0.000	1	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PBHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PBHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2P)	108.1500	0.000	1	108.1500	0.000	1	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]2H)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2P)	106.1250	0.000	1	106.1250	0.000	1	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]2O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]2O)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2P)	109.2080	0.136	4	109.2080	0.019	4	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]2Ru)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]2Ru)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2P)	103.5727	0.316	3	103.5727	0.100	3	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]BC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]BC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2P)	108.2950	0.245	2	108.2950	0.060	2	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]BO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]BO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2P)	107.9083	0.244	3	107.9083	0.060	3	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]CO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]CO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2P)	107.7022	0.478	9	107.7022	0.228	9	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]PdC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]PdC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2P)	107.9890	0.000	1	107.9890	0.000	1	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PPtCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PPtCC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2P)	107.4415	0.535	2	107.4415	0.287	2	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(PC[6]2O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(PC[6]2O)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2P)	104.7715	0.583	2	104.7715	0.340	2	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(PC[6a]2B)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(PC[6a]2B)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2P)	106.0640	0.366	2	106.0640	0.134	2	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(PC[6a]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(PC[6a]HO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2P)	106.5955	1.031	4	106.5955	1.063	4	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(PC[6a]2Ru)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(PC[6a]2Ru)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2P)	107.0215	0.260	2	107.0215	0.067	2	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(PO3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(PO3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2P)	107.5660	0.000	1	107.5660	0.000	1	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(PCCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(PCCO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2P)	106.0630	0.000	1	106.0630	0.000	1	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(PC[6a]2O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(PC[6a]2O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2P)	107.4200	0.000	1	107.4200	0.000	1	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HW)(PC3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)(C[6]C[6]HW)(PC3)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,1|H<1>,1|O<1>,1|W<7>}	H(C[6]C[6]2P)	105.0210	0.000	1	105.0210	0.000	1	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(PO3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(PO3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<3>,1|N<4>,3|H<1>}	H(C[6]C[6]2P)	108.3880	0.000	1	108.3880	0.000	1	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(PSeOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(PSeOO)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|O<2>,4|H<1>}	H(C[6]C[6]2P)	107.5760	0.000	1	107.5760	0.000	1	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PAgIrC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PAgIrC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.1830	0.013	2	106.1830	0.000	2	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PAuCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PAuCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.8310	0.882	4	106.8310	0.778	4	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PAuFe2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PAuFe2)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	108.7880	0.045	2	108.7880	0.002	2	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PBBH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PBBH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.9695	0.009	2	106.9695	0.000	2	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PBCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PBCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.3065	0.611	8	107.3065	0.373	8	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PBHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PBHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	108.1508	1.247	4	108.1508	1.554	4	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	109.2145	0.576	2	109.2145	0.332	2	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PCHO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PCHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	108.0065	0.193	4	108.0065	0.037	4	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PCOP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PCOP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.4733	1.502	6	107.4733	2.257	6	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PCWW)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PCWW)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	108.9905	0.078	2	108.9905	0.006	2	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[3]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[3]C[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.7779	0.402	7	107.7779	0.162	7	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2Ag)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2Ag)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	105.1333	4.338	35	105.1333	18.819	35	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2Au)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2Au)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.4979	1.801	194	106.4979	3.243	194	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2B)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2B)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	104.8588	1.131	23	104.8588	1.279	23	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.4207	1.173	76	106.4207	1.376	76	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2Co)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2Co)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.1820	1.086	11	106.1820	1.180	11	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2Cr)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2Cr)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	105.9349	1.066	18	105.9349	1.136	18	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2Cu)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2Cu)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.7020	2.596	51	106.7020	6.740	51	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2Fe)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2Fe)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	105.8828	1.141	54	105.8828	1.303	54	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2Ga)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2Ga)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.6062	0.821	6	106.6062	0.674	6	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.6129	1.116	14	106.6129	1.246	14	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2Hg)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2Hg)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.6365	1.371	12	106.6365	1.880	12	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2I)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2I)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.4408	0.469	6	106.4408	0.220	6	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2In)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2In)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.7520	0.952	30	106.7520	0.907	30	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2Ir)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2Ir)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2P)	101.7580	0.000	1	105.8713	2.662	71	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2Ir)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2Ir)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	105.9301	1.566	70	105.8713	2.662	71	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2Mn)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2Mn)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.5224	1.492	20	106.5224	2.226	20	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2Mo)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2Mo)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	105.0428	1.732	11	105.0428	3.001	11	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2N)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2N)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.9613	1.716	33	106.9613	2.946	33	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2Ni)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2Ni)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	105.8844	1.638	273	105.8844	2.682	273	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.4759	2.313	41	106.4759	5.352	41	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2Os)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2Os)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.1905	1.746	17	106.1905	3.048	17	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2P)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2P)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.5722	0.468	6	106.5722	0.219	6	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2Pd)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2Pd)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	105.9597	1.545	314	105.9597	2.388	314	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2Pt)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2Pt)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<2>,4|H<1>}	H(C[6]C[6]2P)	105.2720	0.000	1	105.9420	2.760	419	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2Pt)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2Pt)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2P)	104.4870	0.000	1	105.9420	2.760	419	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2Pt)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2Pt)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	105.9471	1.663	417	105.9420	2.760	419	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2Re)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2Re)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	105.5459	1.008	55	105.5459	1.017	55	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2Rh)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2Rh)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<2>,4|H<1>}	H(C[6]C[6]2P)	106.9580	0.000	1	106.1654	1.933	47	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2Rh)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2Rh)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.1482	1.401	46	106.1654	1.933	47	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2Ru)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2Ru)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|Ru<6>,1|C<4>,3|H<1>}	H(C[6]C[6]2P)	110.5990	0.000	1	105.8177	1.217	725	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2Ru)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2Ru)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|Ru<8>,1|C<4>,3|H<1>}	H(C[6]C[6]2P)	109.9225	0.071	2	105.8177	1.217	725	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2Ru)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2Ru)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	105.7997	1.069	722	105.8177	1.217	725	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2Ru)(H)	C[6](C[6]C[6]RuH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2Ru)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]RuH)(C[6]C[6]HP)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2P)	113.1950	0.064	4	111.8844	2.748	7	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2Ru)(H)	C[6](C[6]C[6]RuH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2Ru)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]RuH)(C[6]C[6]HP)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2P)	110.1370	0.470	3	111.8844	2.748	7	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2S)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2S)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.3946	1.027	11	106.3946	1.054	11	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2Se)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2Se)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.1860	0.490	16	106.1860	0.240	16	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2Sn)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2Sn)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.8063	0.502	6	106.8063	0.252	6	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2Te)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2Te)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.2443	1.164	6	106.2443	1.356	6	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2W)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2W)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	105.3579	2.167	50	105.3579	4.697	50	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]AgP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]AgP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.6347	0.369	7	106.6347	0.136	7	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]Au2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]Au2)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.2072	0.095	4	107.2072	0.009	4	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]AuC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]AuC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.4127	1.535	53	107.4127	2.357	53	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]BC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]BC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.7232	1.399	58	106.7232	1.956	58	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]BH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]BH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2P)	107.2120	0.000	1	107.8008	2.782	11	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]BH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]BH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.8597	1.746	10	107.8008	2.782	11	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]CC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]CC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.4997	1.137	3	106.4997	1.292	3	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]CH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.4760	1.193	8	107.4760	1.423	8	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]CO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]CO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.1563	1.215	3	107.1563	1.476	3	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]CP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]CP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.4758	0.459	17	106.4758	0.211	17	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]CS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]CS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.1341	1.027	15	107.1341	1.055	15	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]CW)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]CW)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.3463	1.018	63	106.3463	1.037	63	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]ClPd)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]ClPd)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.3942	1.455	4	107.3942	2.116	4	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]ClRu)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]ClRu)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.5331	0.441	7	106.5331	0.194	7	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]CoC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]CoC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.8818	1.047	40	106.8818	1.097	40	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]CoMo)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]CoMo)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	105.2283	0.788	8	105.2283	0.621	8	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]CrC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]CrC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	104.7014	0.624	16	104.7014	0.390	16	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]CuC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]CuC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.7167	1.816	7	106.7167	3.299	7	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]FeC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]FeC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.1838	1.044	151	106.1838	1.089	151	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]FeMo)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]FeMo)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	104.8274	0.277	7	104.8274	0.077	7	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]FeP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]FeP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.1230	0.816	8	106.1230	0.667	8	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]FeSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]FeSi)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.0870	0.506	3	107.0870	0.256	3	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]IrC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]IrC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.3161	1.193	51	106.3161	1.422	51	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]Mn2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]Mn2)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	104.4060	0.076	2	104.4060	0.006	2	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]MnRh)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]MnRh)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	105.3540	0.863	4	105.3540	0.745	4	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]Mo2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]Mo2)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	105.8324	1.211	200	105.8324	1.468	200	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]MoC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]MoC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.3252	0.585	4	106.3252	0.342	4	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]MoH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]MoH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	109.1375	2.488	4	109.1375	6.190	4	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]MoP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]MoP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	104.6265	0.239	4	104.6265	0.057	4	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]NiC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]NiC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.9845	1.114	282	106.9845	1.240	282	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]NiN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]NiN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.2150	0.494	3	107.2150	0.244	3	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]Os2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]Os2)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	104.4228	0.742	4	104.4228	0.551	4	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]OsH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]OsH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.4311	0.440	8	106.4311	0.193	8	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]Pd2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]Pd2)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.6883	0.396	7	106.6883	0.157	7	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]PdC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]PdC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.9186	1.132	91	106.9186	1.281	91	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]PdN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]PdN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.1670	0.658	4	106.1670	0.433	4	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]PdO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]PdO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.5694	0.557	8	107.5694	0.310	8	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]Pt2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]Pt2)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.3889	0.604	18	107.3889	0.365	18	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]PtC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]PtC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.5981	0.975	153	106.5981	0.950	153	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]PtH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]PtH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.7932	1.044	22	106.7932	1.090	22	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]PtN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]PtN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.0793	0.864	4	107.0793	0.746	4	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]PtO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]PtO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.2742	0.819	30	107.2742	0.671	30	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]Re2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]Re2)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	104.1548	2.161	12	104.1548	4.669	12	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]ReC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]ReC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	105.5149	1.468	42	105.5149	2.156	42	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]ReH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]ReH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.4103	0.526	12	106.4103	0.277	12	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]RhC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]RhC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.6932	1.080	62	106.6932	1.167	62	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]RhN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]RhN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.3036	1.724	8	107.3036	2.972	8	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]RuC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]RuC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	105.4923	1.421	138	105.4923	2.019	138	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]RuH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]RuH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.7831	0.878	16	106.7831	0.771	16	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]RuO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]RuO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	104.5685	2.816	11	104.5685	7.929	11	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]SS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]SS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	108.3095	0.177	4	108.3095	0.031	4	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]ScC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]ScC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.0498	1.185	12	107.0498	1.404	12	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]Se2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]Se2)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.4604	0.229	8	107.4604	0.053	8	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]SeC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]SeC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.2109	0.661	7	107.2109	0.438	7	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]Te2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]Te2)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.4607	0.056	3	107.4607	0.003	3	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]TiC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]TiC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	105.9942	0.698	8	105.9942	0.488	8	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]WW)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]WW)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.1405	0.895	32	106.1405	0.801	32	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6a]2Ag)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6a]2Ag)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.1213	1.071	4	107.1213	1.147	4	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6a]2Au)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6a]2Au)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	108.7788	0.113	4	108.7788	0.013	4	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6a]2Cu)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6a]2Cu)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	104.4847	2.949	4	104.4847	8.698	4	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6a]2O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6a]2O)(H){1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	108.2995	2.128	2	108.2995	4.527	2	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6a]2O)(H)	C[6](C[6]C[6]HP)2(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6a]2O)(H){1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]HP)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	108.1735	0.974	2	108.1735	0.948	2	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6a]2Pd)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6a]2Pd)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	104.1970	0.027	2	104.1970	0.001	2	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6a]2Rh)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6a]2Rh)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	104.5848	1.776	6	104.5848	3.156	6	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6a]2Se)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6a]2Se)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.9510	0.044	2	107.9510	0.002	2	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6a]ClSe)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6a]ClSe)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.9745	0.117	2	107.9745	0.014	2	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6a]OO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.8240	0.054	2	107.8240	0.003	2	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6a]RuO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6a]RuO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.4835	0.049	2	107.4835	0.002	2	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PCl3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PCl3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	112.1580	3.611	4	112.1580	13.042	4	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PCoFe2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PCoFe2)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	105.7057	0.187	3	105.7057	0.035	3	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PCrFe2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PCrFe2)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	104.8540	0.000	1	104.8540	0.000	1	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PFe2B)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PFe2B)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	108.8260	0.045	2	108.8260	0.002	2	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PFe2N)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PFe2N)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.8932	0.435	10	106.8932	0.189	10	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PFe3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PFe3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.3599	0.572	14	106.3599	0.327	14	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PFeCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PFeCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.6188	0.294	4	106.6188	0.087	4	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PFeHO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PFeHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.8305	0.052	2	106.8305	0.003	2	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	108.0883	0.042	4	108.0883	0.002	4	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PIr2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PIr2C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.0665	0.016	2	106.0665	0.000	2	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PIrCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PIrCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.6185	0.094	2	107.6185	0.009	2	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PIrCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PIrCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.8120	0.000	1	106.8120	0.000	1	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PMn2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PMn2H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	108.4735	2.685	2	108.4735	7.209	2	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PMo2O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PMo2O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.6625	0.005	2	106.6625	0.000	2	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PN[6]2Ru)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PN[6]2Ru)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	104.4810	0.058	2	104.4810	0.003	2	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PNiCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PNiCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.3771	0.863	57	107.3771	0.745	57	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PO3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PO3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.2757	0.530	6	107.2757	0.281	6	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PPSS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PPSS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.0602	0.341	4	107.0602	0.117	4	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PPdCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PPdCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	105.5986	1.991	8	105.5986	3.963	8	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PRe2I)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PRe2I)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.7540	0.789	2	106.7540	0.623	2	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PReCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PReCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	105.7703	0.273	4	105.7703	0.075	4	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PRhCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PRhCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.9650	0.936	12	107.9650	0.875	12	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PRuCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PRuCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	105.7041	0.598	14	105.7041	0.358	14	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PRuHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PRuHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	109.3695	0.692	2	109.3695	0.479	2	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(PC[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(PC[6]2C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|Ru<10>,1|C<4>,3|H<1>}	H(C[6]C[6]2P)	106.1150	0.000	1	106.1150	0.000	1	106.2368	2.387	4717	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(PO3)(H)	C[6](C[6]C[6]HP)(N[6]C[6]HH)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(PO3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HP)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2P)	108.3920	0.000	1	108.3920	0.000	1	108.3920	0.000	1	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P[4]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(P[4]P[4]2C)(H)	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2P[4])	C[6](C[6]C[6]HH)2(P[4]P[4]2C)(H){1|P<4>,3|C<4>,4|H<1>}	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2{2|C<4>,2|P<3>,4|H<1>}	H(C[6]C[6]2P[4])	107.5457	0.048	4	107.5457	0.002	4	107.5457	0.002	4	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P[5]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(P[5]P[5]2C)(H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2P[5])	C[6](C[6]C[6]HH)2(P[5]P[5]2C)(H){1|P<3>,1|P<4>,3|C<4>,4|H<1>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{2|C<4>,2|P<3>,4|H<1>}	H(C[6]C[6]2P[5])	107.3680	0.007	2	107.3680	0.000	2	107.3680	0.000	2	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(P[6]C[6]2O)(H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2P[6])	C[6](C[6]C[6]HH)2(P[6]C[6]2O)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6]2P[6])	105.2225	0.026	2	105.2225	0.001	2	105.8000	0.556	5	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(P[6]C[6]3)(H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2P[6])	C[6](C[6]C[6]HH)2(P[6]C[6]3)(H){5|C<4>,9|H<1>}	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2P[6])	106.1850	0.746	3	106.1850	0.556	3	105.8000	0.556	5	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(SC[6a]OO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(SC[6a]OO)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[6]2S)	107.0590	0.260	4	107.0590	0.068	4	107.0590	0.068	4	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)(H){2|C<4>,4|C<3>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]HS)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2S)	106.9230	0.000	1	106.9230	0.000	1	107.7793	1.774	51	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SCOO)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SCOO)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HS)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2S)	107.5520	0.000	1	107.5520	0.000	1	107.7793	1.774	51	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HS)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2S)	107.9650	0.583	9	107.9650	0.339	9	107.7793	1.774	51	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2S)	108.2410	0.000	2	108.2410	0.000	2	107.7793	1.774	51	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]FH)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6,6a]FH)(C[6]C[6]HH)(SC[6a]OO)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(H)2{1|F<1>,1|H<1>,2|C<3>}	H(C[6]C[6]2S)	107.9620	0.000	1	107.9620	0.000	1	107.7793	1.774	51	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(SC[6a]OO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2S)	106.9650	0.000	1	106.9650	0.000	1	107.7793	1.774	51	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a]OO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2S)	108.1450	0.000	1	108.1450	0.000	1	107.7793	1.774	51	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(SFOO)(H)	C[6](C[6]C[6]HS)(C[6]S[6]HH)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(SFOO)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HS)(C[6]S[6]HH)(H)2{1|N<3>,2|H<1>,2|O<1>}	H(C[6]C[6]2S)	107.4290	0.000	1	107.4290	0.000	1	107.7793	1.774	51	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(SC[6a]OO)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2S)	106.6340	0.000	1	106.6340	0.000	1	107.7793	1.774	51	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(SCOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)2(SCOO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2S)	107.7373	0.167	4	107.7373	0.028	4	107.7793	1.774	51	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(SC[5a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)2(SC[5a]OO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2S)	107.7853	0.449	15	107.7853	0.202	15	107.7793	1.774	51	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(SC[6]NO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)2(SC[6]NO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2S)	108.9940	0.025	2	108.9940	0.001	2	107.7793	1.774	51	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(SC[6a]OO)(H)	C[6](C[6]C[6]HS)(C[6]C[6]NN)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)2(SC[6a]OO)(H){2|C<3>,2|N<3>}	C[6](C[6]C[6]HS)(C[6]C[6]NN)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2S)	99.8154	0.000	1	99.8154	0.000	1	107.7793	1.774	51	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(SC[6a]PtO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)2(SC[6a]PtO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2S)	108.8418	0.460	4	108.8418	0.211	4	107.7793	1.774	51	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(SNOO)(H)	C[6](C[6]C[6]HS)(C[6]O[6]HH)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)2(SNOO)(H){1|O<2>,4|H<1>}	C[6](C[6]C[6]HS)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2S)	107.8760	0.000	1	107.8760	0.000	1	107.7793	1.774	51	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(SN[6]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)2(SN[6]OO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]2S)	106.9840	0.000	1	106.9840	0.000	1	107.7793	1.774	51	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(SC[6a]OO)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6]2S)	107.3420	0.000	1	107.3420	0.000	1	107.7793	1.774	51	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(SC[6a]OO)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HS)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2S)	110.0200	0.000	1	110.0200	0.000	1	107.7793	1.774	51	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(SC[6a]OO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2S)	107.5330	0.000	1	107.5330	0.000	1	107.7793	1.774	51	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(SC[6a]OO)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2S)	107.2750	0.000	1	107.2750	0.000	1	107.7793	1.774	51	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]SeH)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2S)	C[6](C[6]O[6]SeH)(C[6]C[6]HH)(SC[6a]OO)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|Se<2>,1|O<2>,3|H<1>}	H(C[6]C[6]2S)	109.0380	0.000	1	109.0380	0.000	1	107.7793	1.774	51	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Si-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SiC[6a]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SiH)(H)2	H(C[6]C[6]2Si)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SiC[6a]CC)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SiH)(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2Si)	106.9050	0.000	1	106.9050	0.000	1	106.9050	0.000	1	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(SiC[6a]CC)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]SiH)(H)2	H(C[6]C[6]2Si)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(SiC[6a]CC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]SiH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2Si)	106.5050	0.000	1	106.5050	0.000	1	106.9022	1.522	47	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(SiC[6a]CC)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2Si)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(SiC[6a]CC)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6]SiH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2Si)	105.4890	0.000	1	105.4890	0.000	1	106.9022	1.522	47	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SiCCO)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2Si)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SiCCO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2Si)	103.9470	0.000	1	103.9470	0.000	1	106.9022	1.522	47	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SiC[6a]CC)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2Si)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SiC[6a]CC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2Si)	106.1810	0.000	1	106.1810	0.000	1	106.9022	1.522	47	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(SiC[6]2C)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2Si)	C[6](C[6]C[6]HH)2(SiC[6]2C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2Si)	107.9563	0.653	6	107.9563	0.426	6	106.9022	1.522	47	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(SiC[6]2Cl)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2Si)	C[6](C[6]C[6]HH)2(SiC[6]2Cl)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2Si)	106.7520	0.585	3	106.7520	0.342	3	106.9022	1.522	47	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(SiClOO)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2Si)	C[6](C[6]C[6]HH)2(SiClOO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2Si)	103.5175	0.032	2	103.5175	0.001	2	106.9022	1.522	47	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(SiNiHH)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2Si)	C[6](C[6]C[6]HH)2(SiNiHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2Si)	107.3320	0.000	1	107.3320	0.000	1	106.9022	1.522	47	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(SiO3)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2Si)	C[6](C[6]C[6]HH)2(SiO3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2Si)	107.0942	0.909	31	107.0942	0.827	31	106.9022	1.522	47	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[5,6]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.6420	0.239	2	108.6420	0.057	2	108.6420	0.057	2	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]CH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]N[6]C)	110.3840	0.000	1	110.3840	0.000	1	110.3840	0.000	1	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]BH)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]BH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|B<4>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	107.2795	0.141	2	107.2795	0.020	2	108.3032	0.314	36	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CC[6a]CH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	107.6760	0.000	1	107.6760	0.000	1	108.3032	0.314	36	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	108.3390	0.062	2	108.3390	0.004	2	108.3032	0.314	36	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.7910	0.000	1	108.2551	0.166	7	108.3032	0.314	36	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]C)	107.8620	0.117	2	108.2551	0.166	7	108.3032	0.314	36	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.3178	0.352	4	108.2551	0.166	7	108.3032	0.314	36	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]CH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	107.6427	0.910	3	107.6427	0.828	3	108.3032	0.314	36	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]HO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]HO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.7311	0.225	7	108.7311	0.051	7	108.3032	0.314	36	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.7995	0.419	2	108.4741	0.227	11	108.3032	0.314	36	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.4067	0.287	3	108.4741	0.227	11	108.3032	0.314	36	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.3993	0.578	6	108.4741	0.227	11	108.3032	0.314	36	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.7370	0.000	1	108.7370	0.000	1	108.3032	0.314	36	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.1095	0.194	2	108.1095	0.038	2	108.3032	0.314	36	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	109.3780	0.000	1	109.3780	0.000	1	108.6180	6.351	64	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.5620	0.000	1	108.9770	0.344	2	108.6180	6.351	64	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	109.3920	0.000	1	108.9770	0.344	2	108.6180	6.351	64	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.1534	3.221	36	108.5938	6.649	61	108.6180	6.351	64	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	109.3881	1.149	14	108.5938	6.649	61	108.6180	6.351	64	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	109.0240	0.261	11	108.5938	6.649	61	108.6180	6.351	64	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](N[6]C[6]CoH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|Co<4>,1|C<4>,3|H<1>}	C[6](N[6]C[6]CoH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.2250	0.000	1	108.2250	0.000	1	108.2250	0.000	1	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:S[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6]OO)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(C[6]S[6]CH)(H)2	H(C[6]C[6]S[6]C)	C[6](C[6]C[6]HH)(S[6]C[6]OO)(CC[6a]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]S[6]CH)(H)2{1|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6]S[6]C)	109.0520	0.000	1	109.0520	0.000	1	109.0520	0.000	1	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[4,5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[4,5]Ga[4,5]2C[5])(C[6]C[6]HH)2(H)	C[6](C[6]N[4,5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[4,5]C[6]2)	C[6](N[4,5]Ga[4,5]2C[5])(C[6]C[6]HH)2(H){2|Cl<1>,1|C<3>,1|C<4>,1|N<4>,2|N<3>,5|H<1>}	C[6](C[6]N[4,5]C[6]H)(C[6]C[6]HH)(H)2{2|Ga<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]N[4,5]C[6]2)	108.8770	0.044	2	108.8770	0.002	2	108.8770	0.002	2	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[5,5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,5]C[5,5,6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]N[5,5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[5,5]C[6]2)	C[6](N[5,5]C[5,5,6]2H)(C[6]C[6]HH)2(H){5|C<4>,6|H<1>}	C[6](C[6]N[5,5]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]N[5,5]C[6]2)	108.6620	0.006	2	108.6620	0.000	2	108.6620	0.000	2	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6,6]C[5,5,6,6]C[5,3x6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[5,6,6]CH)(C[6]C[3x6]HH)(H)2	H(C[6]N[5,6,6]C[6]C)	C[6](N[5,6,6]C[5,5,6,6]C[5,3x6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]N[5,6,6]CH)(C[6]C[3x6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]N[5,6,6]C[6]C)	106.9215	1.177	2	106.9215	1.386	2	106.9215	1.386	2	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){3|C<4>,5|H<1>}	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]N[5,6]C[6]C)	107.4480	0.000	1	107.4480	0.000	1	108.8187	1.414	3	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]C)	109.5730	0.000	1	109.5730	0.000	1	108.8187	1.414	3	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){3|C<4>,5|H<1>}	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]C)	109.4350	0.000	1	109.4350	0.000	1	108.8187	1.414	3	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6]Cu)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6,6]CC)(C[6]N[6,6]CH)(H)2	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[3x6]C[6]Cu)(C[6]C[6]HH)(CH3)(H){1|C<5>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]N[6,6]CC)(C[6]N[6,6]CH)(H)2{1|Cu<6>,3|C<4>}	H(C[6]N[6,6]C[6]C)	107.0110	0.000	1	107.9095	1.615	2	107.5597	1.174	3	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6]Cu)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6,6]CC)(C[6]N[6,6]CH)(H)2	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[3x6]C[6]Cu)(C[6]C[6]HH)(CH3)(H){1|N<4>,3|H<1>,4|C<4>}	C[6](C[6]N[6,6]CC)(C[6]N[6,6]CH)(H)2{1|Cu<6>,1|C<5>,2|C<4>}	H(C[6]N[6,6]C[6]C)	108.8080	0.000	1	107.9095	1.615	2	107.5597	1.174	3	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]C)	106.8600	0.000	1	106.8600	0.000	1	107.5597	1.174	3	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]AlZr)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6]AlZr)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2{1|Al<4>,1|Zr<7>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]C)	107.3415	0.442	2	107.3415	0.195	2	107.1330	1.384	21	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]N[6]C)	110.7840	0.000	1	110.7840	0.000	1	107.1330	1.384	21	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]Al2)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6]Al2)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|Al<4>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	106.2278	0.206	4	106.2278	0.043	4	107.1330	1.384	21	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]AlC)(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6]AlC)(C[6]C[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Al<5>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	106.8125	0.095	2	106.8125	0.009	2	107.1330	1.384	21	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]AlH)(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6]AlH)(C[6]C[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Al<5>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	106.7547	1.669	3	106.7547	2.786	3	107.1330	1.384	21	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]FeC)(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6]FeC)(C[6]C[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Fe<7>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	106.8275	0.887	2	106.8275	0.788	2	107.1330	1.384	21	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]LiZn)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6]LiZn)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Li<3>,1|Zn<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.8685	0.203	2	107.8685	0.041	2	107.1330	1.384	21	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]NiH)(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6]NiH)(C[6]C[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Ni<6>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	107.0970	0.000	1	107.0970	0.000	1	107.1330	1.384	21	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]PdC)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6]PdC)(C[6]C[6]HH)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Pd<4>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.0237	0.897	3	107.0237	0.804	3	107.1330	1.384	21	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]RuH)(C[6]C[6]HH)(CHHP)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6]RuH)(C[6]C[6]HH)(CHHP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Ru<8>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	107.9670	0.000	1	107.9670	0.000	1	107.1330	1.384	21	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CoH)(C[6]N[6]HH)(CHHN)(H)	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6]CoH)(C[6]N[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2{1|Co<6>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	110.8940	0.000	1	110.8940	0.000	1	110.8940	0.000	1	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]CuC)(C[6]N[6]HH)(CCHH)(H)	C[6](N[6]C[6]CuC)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6]CuC)(C[6]N[6]HH)(CCHH)(H){2|C<4>,2|H<1>}	C[6](N[6]C[6]CuC)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.3250	0.000	1	107.3250	0.000	1	109.0796	0.561	16	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(CHHS)(H)	C[6](N[6]C[6]NiC)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(CHHS)(H){1|H<1>,2|C<4>}	C[6](N[6]C[6]NiC)(C[6]N[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]C)	110.1380	0.000	1	109.1965	0.366	15	109.0796	0.561	16	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(CHHS)(H)	C[6](N[6]C[6]NiC)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(CHHS)(H){2|C<4>,2|H<1>}	C[6](N[6]C[6]NiC)(C[6]N[6]CH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]N[6]C)	109.1293	0.567	14	109.1965	0.366	15	109.0796	0.561	16	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]In[4,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](N[6]In[4,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|C<4>,1|I<1>,1|O<2>,2|O<3>,6|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|In<5>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N[6])	107.9750	0.000	1	107.9750	0.000	1	108.3270	0.150	4	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|In<4>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N[6])	108.0260	0.000	1	108.4443	0.142	3	108.3270	0.150	4	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|O<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|In<4>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N[6])	108.7570	0.000	1	108.4443	0.142	3	108.3270	0.150	4	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){2|Cl<1>,1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|In<4>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N[6])	108.5500	0.000	1	108.4443	0.142	3	108.3270	0.150	4	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PB[3,3,5,3x6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PB[3,3,5,3x6]C[6]2)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.5862	1.199	6	107.5862	1.438	6	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PB[5a]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PB[5a]C[6]2)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.2367	1.766	6	107.2367	3.120	6	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[5]C[6]Au)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[5]C[6]Au)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.8873	0.924	3	107.8873	0.854	3	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[5]C[6]Ni)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[5]C[6]Ni)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	105.9477	1.573	3	105.9477	2.475	3	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[5]C[6]Os)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[5]C[6]Os)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.5720	1.277	4	106.5720	1.631	4	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[5]C[6]Pd)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[5]C[6]Pd)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.6493	0.798	15	106.6493	0.637	15	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[5]C[6]Pt)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[5]C[6]Pt)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.9379	1.067	7	106.9379	1.139	7	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[5]C[6]Re)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[5]C[6]Re)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	104.7572	0.320	4	104.7572	0.103	4	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[5]C[6]Ru)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[5]C[6]Ru)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.2673	0.823	16	106.2673	0.678	16	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[5]C[6]Se)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[5]C[6]Se)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.1197	0.391	4	107.1197	0.152	4	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[5a]C[6]B)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[5a]C[6]B)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.8144	1.427	8	106.8144	2.037	8	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[5a]C[6]O)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[5a]C[6]O)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.5910	0.330	4	107.5910	0.109	4	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[5a]C[6]Pd)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[5a]C[6]Pd)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.6912	0.554	4	107.6912	0.307	4	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[5a]C[6]S)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[5a]C[6]S)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.4562	1.228	4	107.4562	1.508	4	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[6,6]C[6]Au)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[6,6]C[6]Au)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.4504	0.738	8	107.4504	0.544	8	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[6,6]C[6]B)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[6,6]C[6]B)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.6715	1.878	4	106.6715	3.528	4	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[6,6]C[6]Pd)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[6,6]C[6]Pd)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	105.7635	0.302	21	105.7635	0.091	21	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[6]N[6]Ru)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[6]N[6]Ru)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.7417	1.481	4	106.7417	2.192	4	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[6a]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[6a]C[6]2)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.6918	1.275	18	106.6918	1.626	18	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[6a]C[6]Ag)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[6a]C[6]Ag)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.0644	1.475	11	107.0644	2.174	11	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[6a]C[6]Au)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[6a]C[6]Au)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.3681	1.099	46	107.3681	1.207	46	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[6a]C[6]B)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[6a]C[6]B)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.3114	1.001	24	107.3114	1.002	24	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[6a]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[6a]C[6]C)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.1870	0.745	3	106.1870	0.555	3	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[6a]C[6]Co)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[6a]C[6]Co)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.8448	1.466	8	107.8448	2.149	8	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[6a]C[6]Cr)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[6a]C[6]Cr)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.0104	1.171	19	107.0104	1.372	19	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[6a]C[6]Cu)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[6a]C[6]Cu)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.7724	1.150	8	107.7724	1.323	8	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[6a]C[6]Fe)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[6a]C[6]Fe)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.0448	0.480	31	107.0448	0.230	31	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[6a]C[6]Ge)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[6a]C[6]Ge)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.4450	0.568	4	107.4450	0.322	4	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[6a]C[6]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[6a]C[6]H)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	108.1090	0.790	12	108.1090	0.624	12	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[6a]C[6]Ir)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[6a]C[6]Ir)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.3247	1.425	63	106.3247	2.032	63	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[6a]C[6]Li)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[6a]C[6]Li)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	108.4919	1.116	8	108.4919	1.245	8	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[6a]C[6]Mo)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[6a]C[6]Mo)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.2126	0.975	16	106.2126	0.950	16	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[6a]C[6]N)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[6a]C[6]N)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	108.0301	1.552	8	108.0301	2.408	8	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[6a]C[6]Ni)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[6a]C[6]Ni)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2P)	107.9770	0.157	2	107.9770	0.025	2	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[6a]C[6]Ni)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[6a]C[6]Ni)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.2530	1.140	63	107.2530	1.299	63	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[6a]C[6]O)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[6a]C[6]O)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.8763	1.439	24	107.8763	2.070	24	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[6a]C[6]Os)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[6a]C[6]Os)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	105.3293	0.682	3	105.3293	0.465	3	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[6a]C[6]Pd)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[6a]C[6]Pd)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2P)	101.9490	0.000	1	101.9490	0.000	1	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[6a]C[6]Pd)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[6a]C[6]Pd)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.8297	1.268	136	106.8297	1.608	136	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[6a]C[6]Pt)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[6a]C[6]Pt)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.1903	0.857	42	107.1903	0.734	42	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[6a]C[6]Rh)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[6a]C[6]Rh)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.8035	1.137	51	106.8035	1.293	51	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[6a]C[6]Ru)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[6a]C[6]Ru)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	105.5901	1.190	51	105.5901	1.417	51	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[6a]C[6]Ru)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]RuH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[6a]C[6]Ru)(C[6]C[6]HH)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]RuH)(C[6]C[6]HP)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2P)	112.5060	0.000	1	112.5060	0.000	1	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[6a]C[6]Se)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[6a]C[6]Se)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.5667	0.409	12	107.5667	0.167	12	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[6a]C[6]Sn)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[6a]C[6]Sn)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.0160	0.031	2	107.0160	0.001	2	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PN[5a]C[6]Ru)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PN[5a]C[6]Ru)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.7977	0.350	3	106.7977	0.123	3	106.8904	1.698	795	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P[4]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[4]P[4]2Cl)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2P[4])	C[6](P[4]P[4]2Cl)(C[6]C[6]HH)2(H){1|P<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|P<3>,4|H<1>}	H(C[6]C[6]2P[4])	107.9440	0.195	2	109.3843	3.635	6	109.3404	2.821	8	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P[4]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[4]P[4]2Cl)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2P[4])	C[6](P[4]P[4]2Cl)(C[6]C[6]HH)2(H){1|P<4>,3|C<4>,4|H<1>}	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|P<3>,4|H<1>}	H(C[6]C[6]2P[4])	110.1045	1.993	4	109.3843	3.635	6	109.3404	2.821	8	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P[4]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[4]P[4]2Cr)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2P[4])	C[6](P[4]P[4]2Cr)(C[6]C[6]HH)2(H){1|P<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2{1|Cr<6>,1|C<4>,2|P<3>,4|H<1>}	H(C[6]C[6]2P[4])	109.2085	1.235	2	109.2085	1.526	2	109.3404	2.821	8	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[5]B[5]C[5]C[6])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2P[5])	C[6](P[5]B[5]C[5]C[6])(C[6]C[6]HH)2(H){1|Br<1>,1|P<4>,4|C<4>,8|H<1>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2P[5])	107.4279	0.781	13	107.3514	1.049	21	107.3868	0.877	46	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[5]B[5]C[5]C[6])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2P[5])	C[6](P[5]B[5]C[5]C[6])(C[6]C[6]HH)2(H){1|P<4>,4|C<4>,9|H<1>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2P[5])	107.2271	1.387	8	107.3514	1.049	21	107.3868	0.877	46	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[5]C[5,6a]C[5]C[6])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2P[5])	C[6](P[5]C[5,6a]C[5]C[6])(C[6]C[6]HH)2(H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2P[5])	107.0890	0.800	4	107.0890	0.641	4	107.3868	0.877	46	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[5]C[5,6a]C[5]O)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2P[5])	C[6](P[5]C[5,6a]C[5]O)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2P[5])	107.5750	0.000	1	107.5750	0.000	1	107.3868	0.877	46	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[5]C[5]2C[6])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2P[5])	C[6](P[5]C[5]2C[6])(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2P[5])	108.0977	0.134	4	108.0977	0.018	4	107.3868	0.877	46	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[5]C[5]2Pd)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2P[5])	C[6](P[5]C[5]2Pd)(C[6]C[6]HH)2(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|Pd<4>,1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2P[5])	108.0785	0.047	2	107.0460	1.486	8	107.3868	0.877	46	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[5]C[5]2Pd)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2P[5])	C[6](P[5]C[5]2Pd)(C[6]C[6]HH)2(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|Pd<4>,1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2P[5])	107.4390	0.038	2	107.0460	1.486	8	107.3868	0.877	46	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[5]C[5]2Pd)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2P[5])	C[6](P[5]C[5]2Pd)(C[6]C[6]HH)2(H){5|C<4>,6|H<1>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|Pd<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2P[5])	106.3332	1.405	4	107.0460	1.486	8	107.3868	0.877	46	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[5]C[5]2Rh)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2P[5])	C[6](P[5]C[5]2Rh)(C[6]C[6]HH)2(H){1|C<3>,4|C<4>,6|H<1>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|Rh<5>,3|C<4>,4|H<1>}	H(C[6]C[6]2P[5])	107.4665	0.025	2	107.9885	0.365	4	107.3868	0.877	46	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[5]C[5]2Rh)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2P[5])	C[6](P[5]C[5]2Rh)(C[6]C[6]HH)2(H){5|C<4>,6|H<1>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|Rh<5>,3|C<4>,4|H<1>}	H(C[6]C[6]2P[5])	108.5105	0.076	2	107.9885	0.365	4	107.3868	0.877	46	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[5]C[6]P[5]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2P[5])	C[6](P[5]C[6]P[5]2)(C[6]C[6]HH)2(H){1|Co<6>,2|P<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{2|C<4>,2|P<3>,4|H<1>}	H(C[6]C[6]2P[5])	107.1923	0.126	4	107.1923	0.016	4	107.3868	0.877	46	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6,6]C[3x6]2Pd)(C[6]C[6]HH)2(H)	C[6](C[6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]P[6,6]C[6]2)	C[6](P[6,6]C[3x6]2Pd)(C[6]C[6]HH)2(H){2|O<2>,4|H<1>,5|C<4>}	C[6](C[6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Pd<4>,3|C<4>,4|H<1>}	H(C[6]P[6,6]C[6]2)	106.9490	0.040	2	106.9490	0.002	2	106.8833	0.007	4	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6,6]C[6,6]2Co)(C[6]C[6]HH)2(H)	C[6](C[6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]P[6,6]C[6]2)	C[6](P[6,6]C[6,6]2Co)(C[6]C[6]HH)2(H){5|C<4>,6|H<1>}	C[6](C[6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Co<4>,3|C<4>,4|H<1>}	H(C[6]P[6,6]C[6]2)	106.8175	0.029	2	106.8175	0.001	2	106.8833	0.007	4	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P[6]-4:C[6]-4:C-4:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(CH3)(H)	C[6](B[6]C[6a]2C[6])(C[6]P[6]CH)(H)2	H(C[6]C[6]P[6]C)	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(CH3)(H){8|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]P[6]CH)(H)2{1|H<1>,7|C<3>}	H(C[6]C[6]P[6]C)	107.7540	0.000	1	107.7540	0.000	1	106.2490	4.530	2	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P[6]-4:C[6]-4:C-4:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(CH3)(H)	C[6](B[6]C[6a]2O[6])(C[6]P[6]CH)(H)2	H(C[6]C[6]P[6]C)	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(CH3)(H){1|H<1>,1|O<2>,7|C<3>}	C[6](B[6]C[6a]2O[6])(C[6]P[6]CH)(H)2{1|C<4>,6|C<3>}	H(C[6]C[6]P[6]C)	104.7440	0.000	1	104.7440	0.000	1	106.2490	4.530	2	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6]B[3,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2P[6])	C[6](P[6]B[3,6]C[6]2)(C[6]C[6]HH)2(H){1|B<4>,1|C<3>,1|P<4>,3|C<4>,8|H<1>}	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2P[6])	107.2245	0.036	4	107.2245	0.001	4	106.9452	0.629	35	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6]B[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2P[6])	C[6](P[6]B[6,6]C[6]2)(C[6]C[6]HH)2(H){1|B<4>,1|P<3>,2|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2P[6])	105.9070	0.544	2	105.8375	0.590	4	106.9452	0.629	35	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6]B[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2P[6])	C[6](P[6]B[6,6]C[6]2)(C[6]C[6]HH)2(H){1|B<4>,2|C<3>,3|C<4>,8|H<1>}	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2P[6])	105.7680	1.206	2	105.8375	0.590	4	106.9452	0.629	35	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6]B[6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2P[6])	C[6](P[6]B[6]C[6]2)(C[6]C[6]HH)2(H){1|B<4>,1|C<3>,1|P<3>,3|C<4>,8|H<1>}	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2P[6])	106.5553	0.073	4	106.4921	0.020	8	106.9452	0.629	35	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6]B[6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2P[6])	C[6](P[6]B[6]C[6]2)(C[6]C[6]HH)2(H){1|B<4>,1|C<3>,1|P<4>,3|C<4>,8|H<1>}	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2P[6])	106.4290	0.177	4	106.4921	0.020	8	106.9452	0.629	35	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6]C[6,6a]O[6]B)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2P[6])	C[6](P[6]C[6,6a]O[6]B)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]P[6]H)(C[6]C[6]CH)(H)2{1|B<4>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2P[6])	107.7770	0.315	3	107.7770	0.099	3	106.9452	0.629	35	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6]C[6,6a]O[6]Pd)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2P[6])	C[6](P[6]C[6,6a]O[6]Pd)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]P[6]H)(C[6]C[6]CH)(H)2{1|Pd<4>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2P[6])	107.0570	1.796	2	107.0570	3.226	2	106.9452	0.629	35	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6]C[6]2Pt)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2P[6])	C[6](P[6]C[6]2Pt)(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2{1|Pt<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2P[6])	105.7205	0.087	2	105.7205	0.008	2	106.9452	0.629	35	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	P[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6]In[6]2C[6])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2P[6])	C[6](P[6]In[6]2C[6])(C[6]C[6]HH)2(H){2|P<4>,3|C<4>,9|H<1>}	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2{2|In<4>,2|C<4>,4|H<1>}	H(C[6]C[6]2P[6])	107.5008	0.181	12	107.5008	0.033	12	106.9452	0.629	35	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	S[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](S[6]C[5a,6]OO)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5a,6]HN)(C[6]S[6]CH)(H)2	H(C[6]C[6]S[6]C)	C[6](S[6]C[5a,6]OO)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[5a,6]HN)(C[6]S[6]CH)(H)2{2|C<3>,2|O<1>}	H(C[6]C[6]S[6]C)	108.8340	0.000	1	108.1290	0.994	2	108.1290	0.994	2	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	S[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](S[6]C[5a,6]OO)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5a,6]HN)(C[6]S[6]CH)(H)2	H(C[6]C[6]S[6]C)	C[6](S[6]C[5a,6]OO)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<4>,1|S<2>}	C[6](C[6]C[5a,6]HN)(C[6]S[6]CH)(H)2{2|C<3>,2|O<1>}	H(C[6]C[6]S[6]C)	107.4240	0.000	1	108.1290	0.994	2	108.1290	0.994	2	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	Si[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:Si[6]-4:H-1:H-1:	C[6]-4:	C[6](Si[6]C[6]Cl2)(C[6]Si[6]HH)(SiCl2C)(H)	C[6](C[6]Si[6]SiH)(Si[6]C[6]Cl2)(H)2	H(C[6]Si[6]C[6]Si)	C[6](Si[6]C[6]Cl2)(C[6]Si[6]HH)(SiCl2C)(H){2|Cl<1>,1|C<4>,2|H<1>}	C[6](C[6]Si[6]SiH)(Si[6]C[6]Cl2)(H)2{1|Si<4>,2|Cl<1>,1|C<4>,1|H<1>}	H(C[6]Si[6]C[6]Si)	105.4050	0.000	1	105.4050	0.000	1	106.5075	2.431	2	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	Si[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:Si[6]-4:H-1:H-1:	C[6]-4:	C[6](Si[6]C[6]Cl2)(C[6]Si[6]HH)(SiCl3)(H)	C[6](C[6]Si[6]SiH)(Si[6]C[6]Cl2)(H)2	H(C[6]Si[6]C[6]Si)	C[6](Si[6]C[6]Cl2)(C[6]Si[6]HH)(SiCl3)(H){2|Cl<1>,1|C<4>,2|H<1>}	C[6](C[6]Si[6]SiH)(Si[6]C[6]Cl2)(H)2{1|Si<4>,2|Cl<1>,1|C<4>,1|H<1>}	H(C[6]Si[6]C[6]Si)	107.6100	0.000	1	107.6100	0.000	1	106.5075	2.431	2	106.9949	2.899	11512	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HO)(CHHO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(OC)(H)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HO)(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(OC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]C)	106.6820	0.000	1	106.6820	0.000	1	106.6820	0.000	1	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]HO)(OOs)(H)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HO)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[6]HO)(OOs)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]C)	109.1480	0.000	1	109.1480	0.000	1	106.8948	2.427	4	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(CC3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OS)(H)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(CC3)(H){2|Cl<1>,3|H<1>,4|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OS)(H){2|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]C)	105.7170	0.000	1	105.7170	0.000	1	106.8948	2.427	4	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(CC3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OH)(H)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(CC3)(H){3|H<1>,4|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]C)	106.0110	0.000	1	106.0110	0.000	1	106.8948	2.427	4	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(CH3)(H){2|C<4>,5|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(OH)(H){2|O<2>,3|C<4>}	H(C[6]C[3,6]C[6]C)	106.7030	0.000	1	106.7030	0.000	1	106.8948	2.427	4	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[3]C[3]O[3]C)(C[6]C[6]HO)2(H)	C[6](C[6]C[3]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[3]C[6]2)	C[6](C[3]C[3]O[3]C)(C[6]C[6]HO)2(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[6]HH)(OH)(H){2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[3]C[6]2)	105.2150	0.000	1	105.2150	0.000	1	105.2900	0.011	2	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[3]C[3]O[3]C)(C[6]C[6]HO)2(H)	C[6](C[6]C[3]C[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[3]C[6]2)	C[6](C[3]C[3]O[3]C)(C[6]C[6]HO)2(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[3]C[6]2)	105.3650	0.000	1	105.3650	0.000	1	105.2900	0.011	2	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]O[6])(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[3x6]CH)(C[6]C[6]CH)(OH)(H)	H(C[6]C[3x6]C[6]C)	C[6](C[3x6]C[3x6]C[6,6]O[6])(C[6]C[6]HO)(CH3)(H){2|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[3x6]CH)(C[6]C[6]CH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[3x6]C[6]C)	105.7760	0.000	1	105.7760	0.000	1	105.7760	0.000	1	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[3x6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,5]C[5,5,6,6]C[5]2)(C[6]C[3x6]HO)(C[6]C[6]HH)(H)	C[6](C[6]C[5,5]C[6]H)(C[3x6]C[3x6]2H)(OH)(H)	H(C[6]C[5,5]C[6]2)	C[6](C[5,5]C[5,5,6,6]C[5]2)(C[6]C[3x6]HO)(C[6]C[6]HH)(H){1|O<1>,2|O<2>,5|C<4>,5|H<1>}	C[6](C[6]C[5,5]C[6]H)(C[3x6]C[3x6]2H)(OH)(H){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	H(C[6]C[5,5]C[6]2)	105.0640	0.000	1	105.0640	0.000	1	105.0640	0.000	1	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]2O[5,6])(C[6]C[5,6]HO)(CHHI)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5,6,6]CH)(OH)(H)	H(C[6]C[5,6,6]C[6]C)	C[6](C[5,6,6]C[5,6]2O[5,6])(C[6]C[5,6]HO)(CHHI)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5,6,6]CH)(OH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6,6]C[6]C)	105.1920	0.000	1	105.1920	0.000	1	105.1920	0.000	1	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]O[6,6]C[5])(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[5,6,6]HH)(OH)(H)	H(C[6]C[5,6,6]C[6]C)	C[6](C[5,6,6]C[5,6]O[6,6]C[5])(C[6]C[6]HO)(CH3)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]CH)(C[6]C[5,6,6]HH)(OH)(H){1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5,6,6]C[6]C)	106.8170	0.000	1	106.8170	0.000	1	107.1430	0.213	2	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6,6]N[5,5,6]C[5,6]C[6])(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[5,6,6]C[6]C)	C[6](C[5,6,6]N[5,5,6]C[5,6]C[6])(C[6]C[6]HO)(CCHH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(OSi)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]C)	107.4690	0.000	1	107.4690	0.000	1	107.1430	0.213	2	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[3]C[3]2H)(C[6]C[6]HO)(H)	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]CH)(OSi)(H)	H(C[6]C[5,6]C[3]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[3]C[3]2H)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]CH)(OSi)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[3]C[6])	105.8498	0.858	6	105.8498	0.736	6	106.1613	1.292	7	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[3]C[3]O[3]C)(C[6]C[6]HO)(H)	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[5,6]C[3]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[3]C[3]O[3]C)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[5,6]C[3]C[6])	108.0300	0.000	1	108.0300	0.000	1	106.1613	1.292	7	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(OH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(CH3)(H){1|C<3>,1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]C)	108.1520	0.279	2	108.1520	0.078	2	108.1520	0.078	2	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[5]O[6]H)(CH3)(H)	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]CH)(O[6]C[6,6a])(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[5]O[6]H)(CH3)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]CH)(O[6]C[6,6a])(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]C)	108.6450	0.000	1	108.6450	0.000	1	108.6450	0.000	1	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H){2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]C)	108.3920	0.000	1	108.3920	0.000	1	106.5409	1.553	19	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]O[5])(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6,6]C[5]O[5])(C[6]C[6]HO)(CH3)(H){4|H<1>,5|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]C)	105.8985	0.207	2	105.8985	0.043	2	106.5409	1.553	19	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OC)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HO)(CH3)(H){1|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OC)(H){1|C<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	108.9720	0.000	1	108.9720	0.000	1	106.5409	1.553	19	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCCH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]C)	106.8320	0.000	1	106.8320	0.000	1	106.5409	1.553	19	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]C)	104.5680	0.000	1	104.5680	0.000	1	106.5409	1.553	19	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.4480	0.000	1	107.4480	0.000	1	106.5409	1.553	19	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HO)(CCHO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HO)(CCHO)(H){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	104.7280	0.092	2	104.7280	0.008	2	106.5409	1.553	19	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HO)(CH3)(H){3|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]C)	105.9065	0.098	2	105.9065	0.010	2	106.5409	1.553	19	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HO)(CH3)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]C)	105.7120	0.000	1	105.7120	0.000	1	106.5409	1.553	19	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HO)(CH3)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]C)	107.1072	0.567	4	107.1072	0.321	4	106.5409	1.553	19	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(OS)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(OS)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	108.1370	0.000	1	108.1370	0.000	1	106.5409	1.553	19	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(CC[6a]HH)(H)	C[6](C[6]C[5,6]CH)2(OH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(CC[6a]HH)(H){3|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)2(OH)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	106.3610	0.106	2	106.3610	0.011	2	106.5409	1.553	19	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6]O)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HO)(OC)(H)	H(C[6]C[5,6]C[6]2)	C[6](C[5,6]C[5,5,6]C[5,6]O)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,5|C<4>,5|H<1>}	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]2)	107.8420	0.000	1	107.8420	0.000	1	107.8420	0.000	1	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5]C[6]2)	106.8594	0.163	7	106.7380	0.141	8	106.9175	0.314	13	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5]C[6]2)	105.8880	0.000	1	106.7380	0.141	8	106.9175	0.314	13	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[5]C[6]2)	107.9200	0.000	1	107.9200	0.000	1	106.9175	0.314	13	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6]C[5]C[6]H)(C[6]O[6]HH)(OH)(H)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]O[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5]C[6]2)	107.1940	0.000	1	107.1940	0.000	1	106.9175	0.314	13	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6]HO)(C[6]O[6]HH)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6]HO)(C[6]O[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	H(C[6]C[5]C[6]2)	107.3520	0.000	1	107.3520	0.000	1	106.9175	0.314	13	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5]C[5]2C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OC)(H)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]2C)(C[6]C[6]HH)(C[6]C[6]HO)(H){3|C<4>,8|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5]C[6]2)	106.7785	1.104	2	106.7785	1.218	2	106.9175	0.314	13	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6,6]CH)(OH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(CH3)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6,6]CH)(OH)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]C)	106.1840	0.269	2	106.1840	0.072	2	106.1840	0.072	2	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(OH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]C)	107.8100	0.000	1	107.8100	0.000	1	107.0611	1.259	22	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	105.7360	0.000	1	105.7360	0.000	1	107.0611	1.259	22	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	105.9650	0.000	1	106.5033	1.630	4	107.0611	1.259	22	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	108.2720	0.000	1	106.5033	1.630	4	107.0611	1.259	22	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	106.4860	0.000	1	106.5033	1.630	4	107.0611	1.259	22	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	105.2900	0.000	1	106.5033	1.630	4	107.0611	1.259	22	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CHHO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CHHO)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]C)	105.6520	0.000	1	105.6520	0.000	1	107.0611	1.259	22	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	107.5760	0.000	1	107.5815	0.000	2	107.0611	1.259	22	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	107.5870	0.000	1	107.5815	0.000	2	107.0611	1.259	22	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	106.6110	0.000	1	107.1279	0.580	7	107.0611	1.259	22	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	108.1420	0.000	2	107.1279	0.580	7	107.0611	1.259	22	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	106.3820	0.208	2	107.1279	0.580	7	107.0611	1.259	22	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.1180	0.000	2	107.1279	0.580	7	107.0611	1.259	22	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	105.7720	0.000	1	106.9705	2.873	2	107.0611	1.259	22	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	108.1690	0.000	1	106.9705	2.873	2	107.0611	1.259	22	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OS)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OS)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	109.8750	0.000	1	109.8750	0.000	1	107.0611	1.259	22	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OSi)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	107.8980	0.000	1	107.8980	0.000	1	107.0611	1.259	22	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HO)(CCHH)(H){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	106.9620	0.000	1	106.9620	0.000	1	107.0611	1.259	22	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HO)(CH3)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]C)	106.3990	0.000	1	106.3990	0.000	1	107.0611	1.259	22	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]2Cl)(C[6]C[6]HO)(C[6]N[6]HH)(H)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6,6]C[6]2)	C[6](C[6,6]C[3x6]2Cl)(C[6]C[6]HO)(C[6]N[6]HH)(H){1|S<4>,4|H<1>,5|C<4>}	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|Cl<1>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]2)	105.8020	1.401	2	105.8020	1.964	2	105.8020	1.964	2	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HO)(SiC3)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]SiH)(OH)(H)	H(C[6]C[6,6]C[6]Si)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HO)(SiC3)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]SiH)(OH)(H){1|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]Si)	105.9440	0.000	1	105.9440	0.000	1	105.9440	0.000	1	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(CH3)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.7710	0.000	1	108.7710	0.000	1	108.1022	0.378	4	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(CHHO)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.4190	0.000	1	107.4190	0.000	1	108.1022	0.378	4	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HO)(CH3)(H)	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HO)(CH3)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(OC)(H){1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2C)	108.4420	0.000	1	108.4420	0.000	1	108.1022	0.378	4	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HO)(CH3)(H)	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HO)(CH3)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(OH)(H){1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2C)	107.7770	0.000	1	107.7770	0.000	1	108.1022	0.378	4	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,5,6,6]C[3x5,6]C[5,6,6]O[5,6])(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,5,6,6]C[3x5,6]C[5,6,6]O[5,6])(C[6]C[6]CH)(OH)(H){2|H<1>,2|O<2>,5|C<4>}	H(C[6]C[6]2C)	107.8440	0.024	2	107.8440	0.001	2	107.8440	0.001	2	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6,6]C[5,6,6]C[3x5]O[6])(C[6]C[6]CH)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]C[3x5]O[6])(C[6]C[6]CH)(OC)(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2C)	108.0240	0.000	1	108.0240	0.000	1	107.6233	0.723	3	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6,6]C[5,6,6]C[5,5]O[6])(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,5]O[6])(C[6]C[6]CH)(OH)(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2C)	108.1990	0.000	1	108.1990	0.000	1	107.6233	0.723	3	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]CH)(OH)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.6470	0.000	1	106.6470	0.000	1	107.6233	0.723	3	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3]C[6]O)(C[6]C[5,6]HO)(CCCH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[3]C[6]O)(C[6]C[5,6]HO)(CCCH)(H){1|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2C)	107.8755	0.091	2	107.8755	0.008	2	107.3199	2.965	19	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]CN)(C[6]C[5,6]HO)(CHHO)(H)	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]CH)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CN)(C[6]C[5,6]HO)(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]CH)(OC)(H){1|C<3>,1|N<2>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2C)	106.8600	0.000	1	106.8600	0.000	1	107.3199	2.965	19	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HO)(CH3)(H)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]CH)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]CH)(OC)(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2C)	107.7960	0.000	1	107.7960	0.000	1	107.3199	2.965	19	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]2H)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HO)(C[6]C[6]2H)(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(OC)(H){4|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.2620	0.000	1	108.2620	0.000	1	107.3199	2.965	19	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OSi)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)(H){1|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[6]2C)	107.2770	0.000	1	107.2770	0.000	1	107.3199	2.965	19	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	101.3920	0.000	1	101.3920	0.000	1	107.3199	2.965	19	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CCCO)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CCCO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2C)	105.7840	0.000	1	105.7840	0.000	1	107.3199	2.965	19	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(OC)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.4183	0.591	6	108.4183	0.349	6	107.3199	2.965	19	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)2(CH3)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]CH)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HO)2(CH3)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]CH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	106.2380	0.000	1	106.2380	0.000	1	107.3199	2.965	19	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[5,6]HO)(CH3)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]H)(C[6]C[5,6]HO)(CH3)(H){1|Fe<10>,1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	108.1050	0.000	1	108.1050	0.000	1	107.3199	2.965	19	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HO)(CH3)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HO)(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(OH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2C)	106.3400	0.081	2	106.3400	0.006	2	107.3199	2.965	19	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HO)(CH3)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HO)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	108.4240	0.000	1	108.4240	0.000	1	107.3199	2.965	19	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(H)	H(C[6]C[6]2C)	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(H){1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.2860	0.308	2	108.2860	0.095	2	108.2860	0.095	2	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(CN)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(CN)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	105.0990	0.000	2	105.0990	0.000	2	105.0990	0.000	2	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HO)(CH3)(H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]CH)(OSi)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]CH)(OSi)(H){2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]2C)	107.7050	0.000	1	107.7050	0.000	1	107.4373	0.685	22	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCF)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCF)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	105.8300	0.000	1	105.8300	0.000	1	107.4373	0.685	22	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2C)	106.5330	0.000	1	106.5330	0.000	1	107.4373	0.685	22	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.7770	0.000	1	106.8357	0.012	3	107.4373	0.685	22	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2C)	106.8650	0.134	2	106.8357	0.012	3	107.4373	0.685	22	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OS)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OS)(H){3|H<1>,5|C<4>}	H(C[6]C[6]2C)	107.3320	0.137	2	107.3320	0.019	2	107.4373	0.685	22	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2C)	106.4420	0.000	1	106.4420	0.000	1	107.4373	0.685	22	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCl3)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCl3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(OH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2C)	106.4880	0.000	1	106.4880	0.000	1	107.4373	0.685	22	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(OS)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(OS)(H){3|C<4>,5|H<1>}	H(C[6]C[6]2C)	108.0095	0.293	2	108.0095	0.086	2	107.4373	0.685	22	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.0254	0.237	5	108.0254	0.056	5	107.4373	0.685	22	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.6370	0.148	2	108.6123	0.013	3	107.4373	0.685	22	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<3>}	H(C[6]C[6]2C)	108.5630	0.000	1	108.6123	0.013	3	107.4373	0.685	22	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.8310	0.000	1	106.8310	0.000	1	107.4373	0.685	22	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CHHO)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2C)	106.6370	0.000	1	106.6370	0.000	1	107.4373	0.685	22	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:S-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HS)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(SS)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HS)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(SS)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2C)	106.7105	0.349	2	106.7105	0.122	2	106.7105	0.122	2	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CN)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CN)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.0910	0.000	1	107.0910	0.000	1	107.0910	0.000	1	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HN)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(NN)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]C[6]HN)(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(NN)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2C)	106.5390	0.122	2	106.5390	0.015	2	107.5016	0.968	5	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(NC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(NC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.5280	0.000	1	108.5280	0.000	1	107.5016	0.968	5	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H)	C[6](C[6]C[6a]2C[6])(C[6]C[6]CH)(NS)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]2C[6])(C[6]C[6]CH)(NS)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2C)	108.4730	0.000	1	108.4730	0.000	1	107.5016	0.968	5	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(CSiHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(CSiHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	107.4290	0.000	1	107.4290	0.000	1	107.5016	0.968	5	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(OC[6a])(H)	H(C[6]C[6]2C)	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(OC[6a])(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.6980	0.532	2	106.6980	0.283	2	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3x6]CH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[3x6]CH)(C[6]C[6]HO)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.7570	0.000	1	107.7570	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HO)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[4,6]HH)(C[6]C[6]HO)(CCHO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.2920	0.581	2	106.2920	0.338	2	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	105.7760	0.000	1	105.7760	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCHH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	105.3240	1.396	2	105.3240	1.948	2	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CC[6a]HH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.5737	0.075	3	106.5737	0.006	3	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	105.3140	0.000	1	105.3140	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(OC[6])(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(OC[6])(H){1|H<1>,2|C<4>}	H(C[6]C[6]2C)	109.7360	0.000	1	109.7360	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CCHO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CCHO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.6300	0.000	1	106.6300	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CCHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.8220	0.000	1	106.8220	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	105.7420	0.000	1	105.7420	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CCCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CCCO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	105.7890	0.000	1	105.7890	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]CH)(OSi)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]CH)(OSi)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	108.4000	0.595	6	108.4000	0.354	6	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]C)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)2(OSi)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]C)(C[6]C[6]HO)(CCHH)(H){1|N<2>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)2(OSi)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.9170	0.000	1	106.9170	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HO)(CCHH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	105.7085	0.218	2	105.7085	0.048	2	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5]O[6]O)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)2(OSi)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5]O[6]O)(C[6]C[6]HO)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)2(OSi)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2C)	106.8320	0.000	1	106.8320	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OC)(H){5|C<4>}	H(C[6]C[6]2C)	107.0690	0.000	1	107.0690	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CO)(C[6]C[6]HO)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2C)	108.0545	0.015	2	108.0545	0.000	2	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CCCH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CCCH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(OC)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.0360	0.000	1	107.0360	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(H){1|C<2>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	105.7520	0.000	1	105.7520	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(CCCO)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(CCCO)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(OH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2C)	106.8780	0.000	1	106.8780	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CC[6]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CC[6]HO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>}	H(C[6]C[6]2C)	106.6330	0.000	1	106.6330	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC3)(H)	C[6](C[6]C[6]CH)2(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	104.5310	0.000	1	104.5310	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.8065	0.231	2	107.8065	0.053	2	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.4060	0.000	1	107.7115	0.965	2	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.0170	0.000	1	107.7115	0.965	2	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.8920	0.000	1	107.1940	0.409	3	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.8450	0.294	2	107.1940	0.409	3	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6]HO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.4380	0.000	1	107.4380	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHHO)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HN)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	105.9670	0.059	2	105.9670	0.004	2	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2C)	105.9690	0.000	1	105.9690	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2C)	106.2790	0.222	2	106.2790	0.049	2	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2C)	106.7580	0.000	1	106.7580	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	107.0307	0.147	3	107.0307	0.022	3	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.8371	1.004	80	106.8371	1.009	80	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.8024	0.794	38	106.8024	0.631	38	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.2303	0.308	3	107.2303	0.095	3	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.3410	0.536	4	107.3410	0.288	4	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.8197	0.096	3	106.8197	0.009	3	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(ON)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(ON)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.8905	0.052	2	106.8905	0.003	2	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.8140	0.364	39	106.8140	0.132	39	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP[5])(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP[5])(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.9060	0.000	1	106.9060	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.8810	0.000	1	106.8810	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.1365	0.228	2	107.1365	0.052	2	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.5930	0.000	1	107.5930	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.4045	0.296	2	107.4045	0.088	2	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)2(OSi)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(OSi)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.3630	0.000	1	106.3630	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHO)(H)	C[6](C[6]C[6]CH)2(OSi)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHO)(H){1|H<1>,4|C<4>}	C[6](C[6]C[6]CH)2(OSi)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.3940	0.000	1	105.7533	0.366	3	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHO)(H)	C[6](C[6]C[6]CH)2(OSi)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(OSi)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	105.4330	0.342	2	105.7533	0.366	3	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[5]CC)(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[5]CC)(H){1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CH)(OH)(H){3|C<3>,3|H<1>}	H(C[6]C[6]2C)	105.9310	0.000	1	105.9310	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6]HO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.8560	0.000	1	106.8560	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.6340	0.000	1	107.6340	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.4793	0.487	3	107.1419	0.169	19	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.0786	0.379	16	107.1419	0.169	19	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	104.9180	0.000	1	104.9180	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.1520	0.475	2	107.1520	0.226	2	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.6430	0.000	1	106.6430	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.6620	0.263	2	107.6620	0.069	2	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H)	C[6](C[6]C[6]CH)2(OSi)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H){1|H<1>,4|C<4>}	C[6](C[6]C[6]CH)2(OSi)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	105.6990	0.000	1	106.2214	1.051	5	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H)	C[6](C[6]C[6]CH)2(OSi)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(OSi)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.3520	1.135	4	106.2214	1.051	5	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H){1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.4770	0.000	1	108.4770	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.3320	0.000	1	108.3320	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OS)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OS)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.8930	0.000	1	107.8930	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.8820	0.000	1	107.8820	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.9810	0.253	4	107.9810	0.064	4	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.2130	0.000	1	107.2130	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)2(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(OC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.6880	0.000	1	108.6880	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)2(OSi)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(OSi)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.9000	0.000	1	107.9000	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.8828	0.119	4	107.8828	0.014	4	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.1000	0.000	1	106.1000	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.1910	0.714	4	107.1910	0.510	4	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.1820	0.000	1	107.1820	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	107.5560	0.000	1	107.5560	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	108.4380	0.000	1	108.4380	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(CSiHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(CSiHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2C)	107.4780	0.000	1	107.4780	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]HS)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]C[6]HS)(CHHO)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|S<4>,2|H<1>}	H(C[6]C[6]2C)	106.2570	0.000	1	106.2570	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCCO)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2C)	106.8190	0.000	1	106.8190	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)2(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCHH)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)2(OH)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2C)	106.1022	0.587	6	106.1022	0.345	6	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[3x6]CH)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[3x6]CH)(C[6]C[6]CH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2C)	108.1440	0.000	1	108.1440	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2C)	107.4980	0.000	1	107.4980	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.4615	0.043	2	108.4615	0.002	2	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.1630	0.000	1	108.1630	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)2(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)2(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	107.5188	0.927	5	107.5480	0.520	12	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)2(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	108.0130	0.343	4	107.5480	0.520	12	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)2(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2C)	106.8715	0.112	2	107.5480	0.520	12	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)2(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(OH)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2C)	107.1870	0.000	1	107.5480	0.520	12	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)2(OSi)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(OSi)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	107.2920	0.595	2	107.4720	0.183	4	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)2(OSi)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(OSi)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2C)	107.6520	0.253	2	107.4720	0.183	4	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CO)(CH3)(H)	C[6](C[6]C[6]CH)2(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(OH)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2C)	106.5260	0.000	1	106.5260	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CO)(CH3)(H)	C[6](C[6]C[6]CH)2(OSi)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(OSi)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2C)	108.0400	0.000	1	108.0400	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CH3)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(OH)(H){1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	108.9520	0.000	1	108.9520	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CBrHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CBrHH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2C)	108.1080	0.000	1	108.1080	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHN)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2C)	107.3403	0.567	3	107.3403	0.321	3	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)2(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2C)	108.1890	0.140	2	108.1890	0.020	2	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CHHN)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2C)	112.6260	0.000	1	112.6260	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]S[6]HH)(CC[6]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]S[6]HH)(CC[6]HO)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|S<2>,4|H<1>}	H(C[6]C[6]2C)	110.2320	0.000	1	110.2320	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)2(CH3)(H){1|C<3>,1|I<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	106.7880	0.000	1	106.7880	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)2(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)2(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	108.7340	0.417	2	108.7340	0.174	2	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)2(OSi)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)2(OSi)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	107.8040	0.000	1	107.8040	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]SiH)(C[6]C[6]HO)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|Si<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.7610	0.000	1	106.7610	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)2(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]CH)2(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	109.2420	0.000	1	107.8332	0.632	5	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)2(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)2(OH)(H){1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.4810	0.127	4	107.8332	0.632	5	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)2(OSi)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)2(OSi)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	108.7400	0.000	1	108.7400	0.000	1	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	107.4940	0.000	1	107.4147	1.178	3	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	106.2920	0.000	1	107.4147	1.178	3	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H)	H(C[6]C[6]2C)	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H){1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2C)	108.4580	0.000	1	107.4147	1.178	3	107.0406	0.930	343	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]2S)(C[6]C[6]CH)(O[6]C[6])(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]O[6]H)(C[6]N[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C[6](C[6]C[6]2S)(C[6]C[6]CH)(O[6]C[6])(H){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[6]2C)	108.0600	0.000	1	108.0600	0.000	1	108.0600	0.000	1	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(OC)(H)	H(C[6]C[6]3)	C[6](C[6]C[5,6]HO)(C[6]C[6]2C)(C[6]C[6]HH)(H){5|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(OC)(H){4|H<1>,7|C<4>}	H(C[6]C[6]3)	106.5150	0.000	1	106.5150	0.000	1	106.5150	0.000	1	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(OH)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(H){3|C<4>,8|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]3)	106.3710	0.193	3	106.3710	0.037	3	106.3710	0.037	3	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]2H)(O[6]C[6])(H)	H(C[6]C[6]3)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]2H)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]3)	107.7030	0.000	2	107.7030	0.000	2	107.1650	2.634	9	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(O[6]C[6])(H)	H(C[6]C[6]3)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]3)	107.8260	0.000	1	107.8260	0.000	1	107.1650	2.634	9	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]3)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H){3|C<4>,6|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6]3)	107.9260	0.000	1	107.9260	0.000	1	107.1650	2.634	9	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O[6]S[6])(H)	H(C[6]C[6]3)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H){1|S<4>,2|C<4>,6|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O[6]S[6])(H){1|C<3>,1|N<3>,2|C<4>,2|O<1>,5|H<1>}	H(C[6]C[6]3)	107.2690	0.000	1	107.2690	0.000	1	107.1650	2.634	9	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6]3)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HO)(O[6]C[6])(H){2|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6]3)	102.8960	0.000	1	102.8960	0.000	1	107.1650	2.634	9	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]OO)(O[6]C[6])(H)	H(C[6]C[6]3)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H){2|C<4>,3|O<2>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]OO)(O[6]C[6])(H){1|C<3>,2|C<4>,2|F<1>,6|H<1>}	H(C[6]C[6]3)	107.4910	0.008	2	107.4910	0.000	2	107.1650	2.634	9	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]BrH)(C[6]C[6]2H)(O[6]C[6])(H)	H(C[6]C[6]3)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)2(H){1|Br<1>,3|C<4>,5|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]2H)(O[6]C[6])(H){1|Br<1>,4|C<4>,6|H<1>}	H(C[6]C[6]3)	108.1800	0.000	1	108.1800	0.000	1	107.1650	2.634	9	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPdHH)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(HC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPdHH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]HO)(HC)(H){1|C<4>,1|H<1>,1|N<4>}	H(C[6]C[6]2N)	112.7630	0.000	1	112.7630	0.000	1	112.7630	0.000	1	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.5980	0.000	1	108.5980	0.000	1	108.5980	0.000	1	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	110.3970	0.000	1	110.3970	0.000	1	108.5680	0.555	27	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.3520	0.000	1	107.3520	0.000	1	108.5680	0.555	27	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.6330	0.000	1	108.6330	0.000	1	108.5680	0.555	27	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.0360	0.000	1	107.0360	0.000	1	108.5680	0.555	27	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCHH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	108.3820	0.000	1	108.3820	0.000	1	108.5680	0.555	27	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HN)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HN)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	109.0500	0.000	1	109.0500	0.000	1	108.5680	0.555	27	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	108.6317	0.618	4	108.7191	0.235	10	108.5680	0.555	27	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	108.7773	0.429	6	108.7191	0.235	10	108.5680	0.555	27	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2N)	108.4850	0.188	2	108.4850	0.035	2	108.5680	0.555	27	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NH3)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NH3)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	108.1610	0.000	1	108.1610	0.000	1	108.5680	0.555	27	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NH3)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NH3)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	108.4820	0.000	1	108.4820	0.000	1	108.5680	0.555	27	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NPdHH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NPdHH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	108.3620	0.119	2	108.3620	0.014	2	108.5680	0.555	27	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NPdHH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NPdHH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	109.0960	0.000	1	109.0960	0.000	1	108.5680	0.555	27	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(NH3)(H)	C[6](C[6]C[6]HN)2(OH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)2(NH3)(H){1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[6]HN)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	108.4652	1.153	4	108.4652	1.330	4	108.5680	0.555	27	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(PC[6a]2O)(H)	C[6](C[6]C[6]HO)(C[6]C[6]HP)(OC)(H)	H(C[6]C[6]2P)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(PC[6a]2O)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]HP)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2P)	109.7780	0.000	1	109.7780	0.000	1	109.7780	0.000	1	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NO)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(SC[6a]OO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2S)	106.9190	0.000	1	106.9190	0.000	1	106.9190	0.000	1	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OH)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a]OO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2S)	108.1140	0.000	1	108.1140	0.000	1	108.3023	0.061	3	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(SC[6a]OO)(H)	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OH)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(SC[6a]OO)(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2S)	108.3965	0.261	2	108.3965	0.068	2	108.3023	0.061	3	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]C)	108.8520	0.000	1	108.2583	0.745	3	108.9190	4.828	6	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	107.9615	0.981	2	108.2583	0.745	3	108.9190	4.828	6	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	107.7600	0.407	2	107.7600	0.166	2	108.9190	4.828	6	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]C)	113.2190	0.000	1	113.2190	0.000	1	108.9190	4.828	6	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](PC[6a]C[6]Pd)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(OP)(H)	H(C[6]C[6]2P)	C[6](PC[6a]C[6]Pd)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(OP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2P)	108.3550	0.000	1	108.3550	0.000	1	108.3550	0.000	1	107.1555	1.326	542	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:2:	4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:C-2:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CO)(CCHO)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OSi)(CC)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CO)(CCHO)(H){2|H<1>,4|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OSi)(CC){2|C<4>,3|H<1>}	H(C[6]C[3,6]C[6]C)	105.7660	0.000	1	105.7660	0.000	1	105.7660	0.000	1	106.2106	5.723	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(CH3)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(CN)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(CH3)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(CN)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]C)	108.2320	0.000	1	108.2320	0.000	1	108.2320	0.000	1	106.2106	5.723	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]OO)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]OO)(CH3)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	106.2810	0.000	1	106.2810	0.000	1	106.2810	0.000	1	106.2106	5.723	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:O[6]-2:O-2:	C[6]-4:	C[6](C[6]C[5]O[6]O)(C[6]C[6]HO)(CH3)(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(OC)	H(C[6]C[6]2C)	C[6](C[6]C[5]O[6]O)(C[6]C[6]HO)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(OC){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.9720	0.000	1	106.9720	0.000	1	106.9720	0.000	1	106.2106	5.723	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CN)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CHHO)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CN)2{3|C<3>,3|H<1>}	H(C[6]C[6]2C)	109.6140	1.629	2	109.6140	2.654	2	107.9537	9.597	3	106.2106	5.723	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:	C[6](C[6]C[6]CC)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)2(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	104.6330	0.000	1	104.6330	0.000	1	107.9537	9.597	3	106.2106	5.723	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC)(OH){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	104.7610	0.000	1	104.7610	0.000	1	104.7610	0.000	1	106.2106	5.723	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:C-2:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CO)(CH3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OSi)(CC)	H(C[6]C[6]2C)	C[6](C[6]C[3,6]HH)(C[6]C[6]CO)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OSi)(CC){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.4450	0.000	1	107.4450	0.000	1	107.4450	0.000	1	106.2106	5.723	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]OO)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OO)2	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OO)2{2|C<4>,3|H<1>}	H(C[6]C[6]2C)	104.0887	2.316	5	104.0887	5.362	5	104.0887	5.362	5	106.2106	5.723	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC)(OH)	H(C[6]C[6]2N)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.8040	0.030	2	107.8040	0.001	2	107.8040	0.001	2	106.2106	5.723	16	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6]H)(C[6]C[6]CO)(H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HO)(OC[6])(CCHH)	H(C[6]C[5,6]C[6]2)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6]H)(C[6]C[6]CO)(H){1|C<3>,3|H<1>,4|C<4>,4|O<2>}	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HO)(OC[6])(CCHH){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]2)	105.5150	0.198	2	105.5150	0.039	2	105.5150	0.039	2	104.9763	0.268	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC[6])(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC[6])(CH3){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	104.6842	0.371	5	104.6842	0.137	5	104.6842	0.137	5	104.9763	0.268	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6]C[5]O[6]C)(C[6]C[6]HH)(CCCH)(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[5]O[6]C)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(CH3){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	105.5350	0.000	1	105.5350	0.000	1	105.5350	0.000	1	104.9763	0.268	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:S-2:C-4:	C[6]-4:	C[6](C[6]C[6,6]CS)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(SC[6a])(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CS)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(SC[6a])(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	105.5220	0.000	1	105.5220	0.000	1	105.5220	0.000	1	104.9763	0.268	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(CH3){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	104.2900	0.000	1	104.2900	0.000	1	104.6155	0.212	2	104.9763	0.268	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:2:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H){1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(CH3){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	104.9410	0.000	1	104.9410	0.000	1	104.6155	0.212	2	104.9763	0.268	11	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]CH)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]CH)(COO)(H)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]CH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]CH)(COO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[3,6]C[6]C)	108.0570	0.000	1	108.0570	0.000	1	108.0570	0.000	1	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6a]C[6]H)(CH3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6a]C[6]H)(CH3)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[3,6]C[6]C)	107.3150	0.000	1	107.3150	0.000	1	107.3150	0.000	1	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[3,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6]N[6]H)(C[6]N[6]HH)(H)	C[6](C[6]C[3,6]C[6]H)(C[6]C[3,6]HH)(N[6]C[6]S)(H)	H(C[6]C[3,6]C[6]2)	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6]N[6]H)(C[6]N[6]HH)(H){2|C<3>,2|S<4>,3|C<4>,5|H<1>}	C[6](C[6]C[3,6]C[6]H)(C[6]C[3,6]HH)(N[6]C[6]S)(H){1|N<3>,2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[3,6]C[6]2)	90.8898	0.000	1	90.8898	0.000	1	90.8898	0.000	1	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6a]C[6]H)(CH3)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[6]C[5,6,6]C[6]C)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6a]C[6]H)(CH3)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6](C[6]C[5,6,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[5,6,6]C[6]C)	107.6610	0.000	1	107.6610	0.000	1	107.6610	0.000	1	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[5]C[5]2Fe)(C[6]C[6]HN)(H)	C[6](C[6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[5,6]C[5]C[6])	C[6](C[5,6]C[5]2C[6])(C[5]C[5]2Fe)(C[6]C[6]HN)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(NOO)(H){1|Fe<10>,1|H<1>,4|C<3>,4|C<4>}	H(C[6]C[5,6]C[5]C[6])	108.5030	0.000	1	108.5030	0.000	1	108.5030	0.000	1	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(CCHH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]CH)(CCO)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(CCHH)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]CH)(CCO)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]C)	107.7430	0.000	1	107.7430	0.000	1	107.7430	0.000	1	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]CH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(CHO)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]CH)(CH3)(H){1|H<1>,1|N<2>,1|S<4>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(CHO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]C)	108.7100	0.000	1	108.7100	0.000	1	108.7100	0.000	1	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CN[5]O)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CH3)(H){1|Si<4>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CN[5]O)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5,6]C[6]C)	108.7880	0.000	1	108.7880	0.000	1	108.0980	0.609	4	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(CHHN)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(CHHN)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]C)	108.7600	0.000	1	108.7600	0.000	1	108.0980	0.609	4	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(CCH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[5,6]C[6]C)	107.4220	0.000	2	107.4220	0.000	2	108.0980	0.609	4	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[5,6]N[5,5,6]C[5,5]H)(C[6]C[6a]C[6]H)(CC[6a]ClH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(C[6a]C[6a]2)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]N[5,5,6]C[5,5]H)(C[6]C[6a]C[6]H)(CC[6a]ClH)(H){1|I<1>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]C)	106.0970	0.000	1	106.0970	0.000	1	106.5660	1.192	3	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6a]C[6]H)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6a]C[6]H)(CCCH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|N<3>,2|O<2>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]C)	106.8005	1.433	2	106.8005	2.054	2	106.5660	1.192	3	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5]C[5]O[5]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(COO)(H)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]O[5]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(COO)(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[5]C[6]2)	105.0300	0.000	1	105.0300	0.000	1	105.0300	0.000	1	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(COO)(H)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[5]C[6]2)	106.5090	0.000	1	106.5090	0.000	1	106.5090	0.000	1	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[5]C[5,6a]C[6a]C[5])(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]C[6a]C[5])(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5]C[6]2)	107.5490	0.000	1	107.5490	0.000	1	107.9950	0.398	2	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[5]C[5]2Fe)(C[6]C[6]CH)(C[6]C[6]HN)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5]C[6]H)(NOO)(H)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]2Fe)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5]C[6]H)(NOO)(H){1|Fe<10>,1|H<1>,4|C<3>,4|C<4>}	H(C[6]C[5]C[6]2)	108.4410	0.000	1	108.4410	0.000	1	107.9950	0.398	2	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(COO)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(COO)(H){2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]C)	108.8350	0.000	1	108.8350	0.000	1	108.8350	0.000	1	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(CC[6a]HH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(NCO)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(CC[6a]HH)(H){2|C<4>,6|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(NCO)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	104.9290	0.318	2	104.9290	0.101	2	105.0307	0.082	3	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HN)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(NCH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HN)(CH3)(H){4|H<1>,5|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(NCH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]C)	105.2340	0.000	1	105.2340	0.000	1	105.0307	0.082	3	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(SC[6a]OO)(H)	C[6](C[6]C[6,6]HS)(C[6]O[6]HO)(NCH)(H)	H(C[6]C[6,6]C[6]S)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(SC[6a]OO)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HS)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]S)	107.9130	1.485	2	107.9130	2.205	2	107.9130	2.205	2	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]2)(CH3)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]CH)(C[6a]C[6a]2)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]2)(CH3)(H){2|H<1>,3|C<4>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,2|O<2>,3|H<1>,5|C<3>}	H(C[6]C[5,6]C[6]C)	108.3185	0.179	2	108.3185	0.032	2	108.3185	0.032	2	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(BC[6a]2O)(H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[6]C[6]2)(H)	H(C[6]C[6]2B)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(BC[6a]2O)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[6]C[6]2)(H){3|C<4>,7|H<1>}	H(C[6]C[6]2B)	106.9245	0.054	2	106.9245	0.003	2	106.9245	0.003	2	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](CC[6a]N[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](CC[6a]N[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.2540	0.000	1	108.2540	0.000	1	108.2540	0.000	1	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]CH)(CC[5a]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]CH)(CC[5a]C)(H){1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6]2C)	106.6500	0.000	1	106.6500	0.000	1	106.6500	0.000	1	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(CCCH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(CCCH)(H){1|H<1>,1|N<2>,2|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(COO)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.9270	0.000	1	106.9270	0.000	1	107.5547	1.306	6	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(CC[6a]O)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(CC[6a]O)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.3130	0.000	1	108.3130	0.000	1	107.5547	1.306	6	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6]CH)(CCO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6]CH)(CCO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.0130	0.000	1	107.0130	0.000	1	107.5547	1.306	6	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]CH)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]CH)(COO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.6760	0.000	1	108.6760	0.000	1	107.5547	1.306	6	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]O[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]O[6]HH)(CH3)(H){1|C<4>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(COO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.5700	0.000	1	108.5700	0.000	1	107.5547	1.306	6	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]C[5,6]CH)(CCHH)(H)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]C[6]CH)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]CH)(C[6]C[5,6]CH)(CCHH)(H){4|C<3>}	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]C[6]CH)(COO)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	H(C[6]C[6]2C)	105.8290	0.000	1	105.8290	0.000	1	107.5547	1.306	6	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]CC)(CCHH)(H)	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CC)(CCHH)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]CH)(C[6]C[6]O)(H){2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6]2C)	106.5260	0.000	1	106.5260	0.000	1	106.5260	0.000	1	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]CH)(CH3)(H)	C[6](C[6,6]C[5a,6,6]C[6]O)(C[6]C[6]CH)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]CH)(CH3)(H){2|C<3>,2|O<2>}	C[6](C[6,6]C[5a,6,6]C[6]O)(C[6]C[6]CH)(COO)(H){1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	107.4580	0.000	1	107.4580	0.000	1	107.6540	0.046	4	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(COO)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2C)	107.5990	0.000	1	107.5990	0.000	1	107.6540	0.046	4	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(CC[6a]O)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(CC[6a]O)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.9590	0.000	1	107.9590	0.000	1	107.6540	0.046	4	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]CH)(CC[5a]O)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]CH)(CC[5a]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.6000	0.000	1	107.6000	0.000	1	107.6540	0.046	4	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(NCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(NCH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2C)	106.4730	0.301	2	106.4730	0.091	2	106.4730	0.091	2	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CC3)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CCC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CC3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CCC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	107.1680	0.000	1	107.1680	0.000	1	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CCC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CCC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2C)	108.8200	0.000	1	108.8200	0.000	1	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(CHHO)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CCC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CCC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2C)	107.4630	0.000	1	107.4630	0.000	1	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CC3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CC3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCO)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.5870	0.000	1	106.9585	0.060	6	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CC3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CC3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.0328	0.184	5	106.9585	0.060	6	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCCH)(H)	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CHO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCCH)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CHO)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.7640	0.000	1	107.7640	0.000	1	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CH)(CHO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CH)(CHO)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.6710	0.561	2	107.6710	0.315	2	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHO)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.3640	0.000	1	107.3640	0.000	1	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	105.4250	0.000	1	105.4250	0.000	1	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.7440	0.000	1	106.7440	0.000	1	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.7852	0.157	6	106.7852	0.025	6	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.9055	0.081	2	106.9055	0.007	2	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)2(CCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.3250	0.000	1	106.5795	0.130	2	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)2(CCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(CCH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.8340	0.000	1	106.5795	0.130	2	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(COO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.2190	0.000	1	107.2190	0.000	1	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCC)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2C)	108.4750	0.000	1	108.4750	0.000	1	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.2560	0.000	1	107.2560	0.000	1	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.9980	0.000	1	106.9980	0.000	1	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.0075	1.595	2	108.0075	2.543	2	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HH)(H){1|O<2>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCO)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.6685	0.228	2	107.6685	0.052	2	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	105.1730	0.000	1	105.1730	0.000	1	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CSiC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CSiC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.6880	0.000	1	107.6880	0.000	1	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(CNO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(CNO)(H){1|C<3>,2|H<1>}	H(C[6]C[6]2C)	106.7510	0.040	2	106.7510	0.002	2	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]O)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]O)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.2080	0.000	1	108.2080	0.000	1	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<3>,4|H<1>}	H(C[6]C[6]2C)	107.7610	0.000	1	107.7610	0.000	1	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)2(CNO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)2(CNO)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.6580	0.000	1	107.6580	0.000	1	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)2(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)2(COO)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.4847	0.331	4	108.4675	0.073	6	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)2(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)2(COO)(H){1|C<3>,4|H<1>}	H(C[6]C[6]2C)	108.4330	0.177	2	108.4675	0.073	6	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CC[6a]O)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHN)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CC[6a]O)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.1790	0.000	1	107.1790	0.000	1	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.9270	0.000	1	107.9270	0.000	1	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.5760	0.713	3	106.5760	0.509	3	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.3610	1.120	2	107.3610	1.255	2	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.3450	0.000	1	108.3450	0.000	1	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CH)(CC[6a]O)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CH)(CC[6a]O)(H){3|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.2260	0.000	1	107.2260	0.000	1	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	106.9170	0.000	1	107.8404	0.353	5	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2C)	108.2520	0.000	1	107.8404	0.353	5	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	108.4340	0.000	1	107.8404	0.353	5	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	107.7995	0.187	2	107.8404	0.353	5	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCH)(H){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]2C)	107.2390	0.000	1	107.2390	0.000	1	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|N<4>,4|H<1>}	H(C[6]C[6]2C)	108.7810	0.000	1	108.7810	0.000	1	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCHH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(CHO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(CHO)(H){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	107.4650	0.000	1	107.4650	0.000	1	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]S[6]HH)(CCHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]S[6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO)(H){1|S<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.4690	0.000	1	107.4690	0.000	1	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.2890	0.000	1	106.2890	0.000	1	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(CCHH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(COO)(H){1|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.3298	0.233	4	107.3298	0.054	4	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CC[5]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(CC[5]HO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	105.8740	0.023	2	105.8740	0.001	2	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CH3)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(CH3)(H){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.7200	0.000	1	106.7200	0.000	1	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.6655	0.155	2	107.6655	0.024	2	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CH3)(H)	C[6](C[6]C[6]CH)2(CCO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)2(CCO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.2070	0.000	1	106.9725	1.172	2	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CH3)(H)	C[6](C[6]C[6]CH)2(CCO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)2(CCO)(H){1|H<1>,3|C<3>}	H(C[6]C[6]2C)	107.7380	0.000	1	106.9725	1.172	2	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CH3)(H)	C[6](C[6]C[6]CH)2(CC[6a]O)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(CC[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	107.2720	0.000	1	105.3710	7.228	2	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CH3)(H)	C[6](C[6]C[6]CH)2(CC[6a]O)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)2(CC[6a]O)(H){1|H<1>,3|C<3>}	H(C[6]C[6]2C)	103.4700	0.000	1	105.3710	7.228	2	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CH3)(H)	C[6](C[6]C[6]CH)2(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)2(COO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.3000	0.000	1	108.3000	0.000	1	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CH3)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CN[5]O)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CN[5]O)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	107.8170	0.000	1	107.8170	0.000	1	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CHHO)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(COW)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(CHHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(COW)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.3050	0.000	1	107.3050	0.000	1	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]MoP)(C[6]C[6]CH)(CC3)(H)	C[6](C[6]C[6]MoC)(C[6]C[6]CH)(CHN)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]MoP)(C[6]C[6]CH)(CC3)(H){3|C<4>}	C[6](C[6]C[6]MoC)(C[6]C[6]CH)(CHN)(H){1|C<4>,1|H<1>,1|P<4>}	H(C[6]C[6]2C)	100.7000	0.000	1	100.7000	0.000	1	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCC)(H)	H(C[6]C[6]2C)	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCHH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCC)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	107.0950	0.000	1	107.0950	0.000	1	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(COO)(H)	H(C[6]C[6]2C)	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(COO)(H){1|C<3>,1|N<4>,3|H<1>}	H(C[6]C[6]2C)	107.3780	0.004	2	107.3780	0.000	2	107.2114	1.288	85	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]2H)(C[6]C[6]HO)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|I<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.3007	0.480	4	108.3007	0.230	4	108.3007	0.230	4	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHS)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(CCHH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHS)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	101.8810	0.000	1	101.8810	0.000	1	106.7643	3.666	31	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHS)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHS)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	102.7360	0.000	1	102.7360	0.000	1	106.7643	3.666	31	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HN)(CH3)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(NOO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HN)(CH3)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(NOO)(H){2|H<1>,4|C<3>}	H(C[6]C[6]2C)	108.2700	0.000	1	108.2700	0.000	1	106.7643	3.666	31	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CBr3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CBr3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NOO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	111.3920	0.000	1	111.3920	0.000	1	106.7643	3.666	31	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.9627	0.314	6	106.9627	0.099	6	106.7643	3.666	31	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHN)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.2120	0.000	1	106.2120	0.000	1	106.7643	3.666	31	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]S)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]S)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.3730	0.000	1	107.3730	0.000	1	106.7643	3.666	31	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(NOO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2C)	108.1550	0.000	1	108.1550	0.000	1	106.7643	3.666	31	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHN)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.2470	0.000	1	108.2470	0.000	1	106.7643	3.666	31	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.0920	0.000	1	107.0920	0.000	1	106.7643	3.666	31	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(NCC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(NCC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.2710	0.000	1	106.2710	0.000	1	106.7643	3.666	31	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(NC[6a]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(NC[6a]H)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.0000	0.813	2	108.0000	0.661	2	106.7643	3.666	31	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]C)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2C)	107.2437	0.109	3	107.2437	0.012	3	106.7643	3.666	31	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(NCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(NCH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2C)	106.9120	0.000	1	106.9120	0.000	1	106.7643	3.666	31	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]HH)(CCHH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(NOO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HN)(C[6]O[6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(NOO)(H){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	109.5390	0.000	1	109.5390	0.000	1	106.7643	3.666	31	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]P[6]CH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(NCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HN)(C[6]P[6]CH)(CCCH)(H){1|O<1>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]HH)(NCH)(H){1|C<4>,1|H<1>,1|P<4>}	H(C[6]C[6]2C)	105.3020	0.000	1	105.3020	0.000	1	106.7643	3.666	31	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(CH3)(H)	C[6](C[6]C[6]CH)2(NCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(CH3)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]CH)2(NCH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.3780	0.000	2	107.3780	0.000	2	106.7643	3.666	31	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HN)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HN)(CHHO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	104.3975	0.092	4	104.3975	0.008	4	106.7643	3.666	31	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HN)(CCHH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]CH)(NOO)(H)	H(C[6]C[6]2C)	C[6](C[6]N[5,6]HH)(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]CH)(NOO)(H){1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6]2C)	108.4570	0.000	1	108.4570	0.000	1	106.7643	3.666	31	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(CC[6a]HN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[6]2)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(CC[6a]HN)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[6]2)(H){3|C<4>,8|H<1>}	H(C[6]C[6]2C)	107.1190	0.672	2	107.1190	0.451	2	107.1190	0.451	2	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PCC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PCC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.4920	0.000	1	106.4920	0.000	1	106.4920	0.000	1	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C[5]-4:H-1:	C[4,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[4,6]C[6a]H)(C[6]N[5,6]C[6a]H)(C[5]C[5]N[5]H)(H)	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H)	H(C[6]C[5]C[6]2)	C[6](C[6]C[4,6]C[6a]H)(C[6]N[5,6]C[6a]H)(C[5]C[5]N[5]H)(H){2|H<1>,3|C<4>,8|C<3>}	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,2|N<3>,4|H<1>,5|C<3>}	H(C[6]C[5]C[6]2)	106.3680	0.000	1	106.3680	0.000	1	106.3680	0.000	1	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CC[6]O)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CC[6]O)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]3)	105.6950	0.000	1	105.6950	0.000	1	105.6950	0.000	1	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]2H)(C[6]C[6]CH)(H)	C[6](C[6]C[6]2H)(C[6]O[6]CC)(C[6]C[6]O)(H)	H(C[6]C[6]3)	C[6](C[6]C[5,6]CH)(C[6]C[6]2H)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,2|O<2>,5|C<4>}	C[6](C[6]C[6]2H)(C[6]O[6]CC)(C[6]C[6]O)(H){4|H<1>,5|C<4>}	H(C[6]C[6]3)	106.7440	0.000	1	106.7440	0.000	1	107.5689	1.217	9	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]2H)(C[6]O[6]O)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]2H)(C[6]O[6]O)(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]3)	105.4220	0.000	1	105.4220	0.000	1	107.5689	1.217	9	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]2H)(C[6]O[6]O)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]2H)(C[6]O[6]O)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]3)	108.5130	0.255	3	108.5130	0.065	3	107.5689	1.217	9	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]2H)(C[6]C[6]H)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]2H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]3)	107.9560	0.123	2	107.9560	0.015	2	107.5689	1.217	9	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]2H)(C[6]C[6]H)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){2|C<3>,2|O<2>,6|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]2H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]3)	108.0010	0.000	1	108.0010	0.000	1	107.5689	1.217	9	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]C)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]C)(H){1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6]3)	106.5020	0.000	1	106.5020	0.000	1	107.5689	1.217	9	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(NOO)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]3)	105.4000	0.000	1	105.4000	0.000	1	105.5605	0.052	2	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(NOO)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6]3)	105.7210	0.000	1	105.7210	0.000	1	105.5605	0.052	2	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HO)(N[6]C[6]C)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]HO)(N[6]C[6]C)(H){1|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6]3)	106.6360	0.000	1	106.6360	0.000	1	106.4930	0.048	4	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]HO)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]HO)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]3)	106.2490	0.000	1	106.2490	0.000	1	106.4930	0.048	4	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(N[6]S[6]H)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|S<4>,7|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(N[6]S[6]H)(H){2|C<3>,2|C<4>,2|O<1>,4|H<1>}	H(C[6]C[6]3)	106.5435	0.241	2	106.5435	0.058	2	106.4930	0.048	4	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(COO)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NH3)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(COO)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2N)	108.2085	0.952	2	108.0790	0.545	4	108.0790	0.545	4	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(COO)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(COO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.9495	0.812	2	108.0790	0.545	4	108.0790	0.545	4	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.3120	0.126	2	106.3120	0.016	2	107.5650	1.381	41	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.3547	0.049	3	107.3547	0.002	3	107.5650	1.381	41	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.9530	0.231	2	106.9530	0.053	2	107.5650	1.381	41	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.1745	0.479	2	108.1745	0.229	2	107.5650	1.381	41	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.1170	0.191	2	108.1170	0.036	2	107.5650	1.381	41	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.6960	0.000	1	106.6960	0.000	1	107.5650	1.381	41	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	110.9900	0.000	1	110.9900	0.000	1	107.5650	1.381	41	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.1425	0.057	2	108.1425	0.003	2	107.5650	1.381	41	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.6890	0.000	1	108.6890	0.000	1	107.5650	1.381	41	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.5565	0.023	2	108.5565	0.001	2	107.5650	1.381	41	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.5417	0.179	3	108.5417	0.032	3	107.5650	1.381	41	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NCH)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2N)	108.0545	0.069	4	108.0545	0.005	4	107.5650	1.381	41	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NIrHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NIrH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NIrHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NIrH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.7580	0.000	1	107.7580	0.000	1	107.5650	1.381	41	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.3720	0.335	2	107.3720	0.112	2	107.5650	1.381	41	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMoCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMoC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMoCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMoC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.3050	0.000	1	106.3050	0.000	1	107.5650	1.381	41	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.1750	0.000	1	108.1750	0.000	1	107.5650	1.381	41	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRhCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRhS)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRhCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRhS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.6780	0.000	1	107.6780	0.000	1	107.5650	1.381	41	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NSiSnC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NSnC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NSiSnC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NSnC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	105.6990	0.000	1	105.6990	0.000	1	107.5650	1.381	41	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NSnHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NSnC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NSnHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NSnC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	103.7280	0.000	1	103.7280	0.000	1	107.5650	1.381	41	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.6060	0.173	6	106.6060	0.030	6	107.5650	1.381	41	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.8640	0.000	1	108.8640	0.000	1	107.5650	1.381	41	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.7830	0.000	1	108.7830	0.000	1	107.5650	1.381	41	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:O-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCuCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OCuH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCuCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OCuH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.0435	0.074	2	108.0435	0.006	2	108.0435	0.006	2	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(PO3)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HP)(COO)(H)	H(C[6]C[6]2P)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(PO3)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HP)(COO)(H){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6]2P)	108.5910	0.000	1	108.5910	0.000	1	108.5910	0.000	1	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(PC[6a]2Ru)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(NRuC)(H)	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(PC[6a]2Ru)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(NRuC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.0230	0.222	2	107.0230	0.049	2	107.2130	0.133	3	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(PO3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(NCH)(H)	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(PO3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.5930	0.000	1	107.5930	0.000	1	107.2130	0.133	3	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(SC[6a]OO)(H)	C[6](C[6]C[6]HS)(C[6]O[6]HO)(N[5]C[5]2)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(SC[6a]OO)(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6]HS)(C[6]O[6]HO)(N[5]C[5]2)(H){1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2S)	108.3710	0.182	2	108.3710	0.033	2	108.3710	0.033	2	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:Si-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(SiC[6a]CC)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]SiH)(CC[6a]O)(H)	H(C[6]C[6]2Si)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(SiC[6a]CC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]SiH)(CC[6a]O)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2Si)	106.4440	0.000	1	106.4440	0.000	1	106.4440	0.000	1	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[5]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(SiC[6a]CC)(H)	C[6](C[6]C[6]SiH)(C[5]C[5]2H)(C[6]C[6]O)(H)	H(C[6]C[6]2Si)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(SiC[6a]CC)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6]SiH)(C[5]C[5]2H)(C[6]C[6]O)(H){1|O<2>,3|C<4>,7|H<1>}	H(C[6]C[6]2Si)	105.5000	0.000	1	105.5000	0.000	1	105.5000	0.000	1	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:N[6]-4:P-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]HH)(PO3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HP)(COO)(H)	H(C[6]C[6]N[6]P)	C[6](C[6]C[6]CH)(N[6]C[6]HH)(PO3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HP)(COO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]P)	106.6800	0.000	1	106.6800	0.000	1	106.6800	0.000	1	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	N[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](N[6]In[4,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H)	H(C[6]C[6]2N[6])	C[6](N[6]In[4,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|C<4>,1|I<1>,1|O<2>,2|O<3>,6|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H){1|In<5>,2|C<4>,5|H<1>}	H(C[6]C[6]2N[6])	107.9720	0.000	1	107.9720	0.000	1	108.3367	0.156	4	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	N[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H)	H(C[6]C[6]2N[6])	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H){1|In<4>,2|C<4>,5|H<1>}	H(C[6]C[6]2N[6])	108.0340	0.000	1	108.4025	0.272	2	108.3367	0.156	4	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	N[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H)	H(C[6]C[6]2N[6])	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|O<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H){1|In<4>,2|C<4>,5|H<1>}	H(C[6]C[6]2N[6])	108.7710	0.000	1	108.4025	0.272	2	108.3367	0.156	4	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:1:	4:	N[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NC[6a]H)(H)	H(C[6]C[6]2N[6])	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){2|Cl<1>,1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NC[6a]H)(H){1|In<4>,2|C<4>,5|H<1>}	H(C[6]C[6]2N[6])	108.5700	0.000	1	108.5700	0.000	1	108.3367	0.156	4	107.2034	2.703	243	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:2:	4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[5]-3:O-2:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCHO)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(C[5]C[5]2)(OSi)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCHO)(H){1|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(C[5]C[5]2)(OSi){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[3,6]C[6]C)	104.5280	0.000	1	104.5280	0.000	1	104.5280	0.000	1	106.7411	1.227	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(CH3)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(COO)(CN)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(CH3)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(COO)(CN){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.0140	0.000	1	107.0140	0.000	1	107.0140	0.000	1	106.7411	1.227	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:N-2:	C[6]-4:	C[6](C[6]C[5,6]CN)(C[6]C[5,6]HO)(CHHO)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(CHO)(NN)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CN)(C[6]C[5,6]HO)(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(CHO)(NN){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2C)	106.4510	0.000	1	106.4510	0.000	1	106.4510	0.000	1	106.7411	1.227	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)(C[6]C[6]H)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]CH)(C[6]C[6]H)(OH){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2C)	107.8400	0.000	1	107.8400	0.000	1	107.8400	0.000	1	106.7411	1.227	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]O[6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCO)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CO)(C[6]O[6]HH)(CCHH)(H){1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCO)(OH){1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2C)	108.7550	0.000	1	108.7550	0.000	1	108.7550	0.000	1	106.7411	1.227	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O)(CN)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O)(CN){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.0650	0.000	1	108.0650	0.000	1	106.8475	2.965	2	106.7411	1.227	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(CN)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(CN){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	105.6300	0.000	1	105.6300	0.000	1	106.8475	2.965	2	106.7411	1.227	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(CCCH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CCO)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(CCCH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CCO)(OH){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	105.7145	0.111	2	105.7145	0.012	2	106.7229	0.994	13	106.7411	1.227	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(CH3)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CCO)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CCO)(OH){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.9890	0.000	1	107.9890	0.000	1	106.7229	0.994	13	106.7411	1.227	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCO)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCO)(OH){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2C)	108.2630	0.000	1	108.2630	0.000	1	106.7229	0.994	13	106.7411	1.227	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCO)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCO)(OH){1|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.2020	0.000	1	108.2020	0.000	1	106.7229	0.994	13	106.7411	1.227	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	105.2140	0.000	1	105.2140	0.000	1	106.7229	0.994	13	106.7411	1.227	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(OH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2C)	105.9990	0.000	1	106.3178	0.159	4	106.7229	0.994	13	106.7411	1.227	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(OH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2C)	106.4240	0.413	3	106.3178	0.159	4	106.7229	0.994	13	106.7411	1.227	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(OH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	107.0100	0.175	3	107.0100	0.031	3	106.7229	0.994	13	106.7411	1.227	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[5]-3:O-2:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HH)(CH3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(C[5]C[5]2)(OSi)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HH)(CH3)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(C[5]C[5]2)(OSi){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.6030	0.000	1	106.6030	0.000	1	106.6030	0.000	1	106.7411	1.227	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]NN)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NOO)(NN)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]NN)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NOO)(NN){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.0200	0.000	1	106.0200	0.000	1	106.0200	0.000	1	106.7411	1.227	22	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(COO)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CC)(CCHH)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(COO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.5200	0.000	1	106.5200	0.000	1	106.3425	1.034	10	106.2064	0.897	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(COO)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]CH)(C[6]C[6]CC)(CCHH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(COO)2{1|H<1>,3|C<3>}	H(C[6]C[6]2C)	105.7950	0.711	2	105.7950	0.506	2	106.3425	1.034	10	106.2064	0.897	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6a]O)(CCH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6a]O)(CCH){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.0440	0.000	1	107.0440	0.000	1	106.3425	1.034	10	106.2064	0.897	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)2(COO)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(COO)2{1|C<4>,2|C<2>,2|H<1>}	H(C[6]C[6]2C)	106.0720	0.000	1	106.0720	0.000	1	106.3425	1.034	10	106.2064	0.897	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)2{3|C<3>,4|H<1>}	H(C[6]C[6]2C)	107.2670	0.000	1	107.2670	0.000	1	106.3425	1.034	10	106.2064	0.897	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O)(CCH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O)(CCH){1|C<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	105.5350	0.000	1	105.5350	0.000	1	106.3425	1.034	10	106.2064	0.897	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)2(CCHH)(H)	C[6](C[6]C[6]CH)2(COO)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)2(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(COO)2{1|C<4>,2|C<2>,2|H<1>}	H(C[6]C[6]2C)	104.6110	0.000	1	104.6110	0.000	1	106.3425	1.034	10	106.2064	0.897	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CC)(CH3)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(COO)2	H(C[6]C[6]2C)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CC)(CH3)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(COO)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2C)	107.3930	0.943	2	107.3930	0.890	2	106.3425	1.034	10	106.2064	0.897	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(NCH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(NCH){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.1180	0.000	1	106.1180	0.000	1	106.1180	0.000	1	106.2064	0.897	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6]C[6]2H)2(CCO)2	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[6]2H)2(CCO)2{2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6]3)	105.0920	0.000	1	105.0920	0.000	1	105.0920	0.000	1	106.2064	0.897	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:3:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:	C[6](C[6]C[6]2N)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CNO)(NCH)	H(C[6]C[6]3)	C[6](C[6]C[6]2N)(C[6]C[6]CN)(C[6]C[6]HH)(H){3|C<4>,8|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CNO)(NCH){1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6]3)	106.0480	0.000	1	106.0480	0.000	1	106.0480	0.000	1	106.2064	0.897	13	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[5]-3:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5]C[6]C)(CCHH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]CH)(C[5]C[5]2)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5]C[6]C)(CCHH)(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6,6]CH)(C[5]C[5]2)(CH3){2|H<1>,2|O<2>,6|C<4>}	H(C[6]C[6,6]C[6]C)	105.6360	0.264	2	105.6360	0.070	2	105.6360	0.070	2	106.0548	1.318	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(C[6]C[6]O)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(C[6]C[6]O)(CH3){3|C<4>,6|H<1>}	H(C[6]C[6]2C)	107.4720	0.000	1	107.4720	0.000	1	107.4720	0.000	1	106.0548	1.318	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-3:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CN[5]O)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CN[5]O)(CH3){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.4910	0.000	1	107.4910	0.000	1	107.4910	0.000	1	106.0548	1.318	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(CH3){2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2C)	105.7890	0.000	1	105.7890	0.000	1	105.2210	0.511	4	106.0548	1.318	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2C)	105.8160	0.000	1	105.3775	0.385	2	105.2210	0.511	4	106.0548	1.318	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CH3){2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2C)	104.9390	0.000	1	105.3775	0.385	2	105.2210	0.511	4	106.0548	1.318	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CH3){3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2C)	104.3400	0.000	1	104.3400	0.000	1	105.2210	0.511	4	106.0548	1.318	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:3:4:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CHHO)	H(C[6]C[6]3)	C[6](C[6]C[6]2C)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]3)	107.3740	0.000	1	107.3740	0.000	1	107.3740	0.000	1	106.0548	1.318	9	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H)	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H){2|Cl<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H){3|C<4>,4|H<1>}	H(C[6]C[3,6]C[6]C)	104.5100	0.000	1	104.5100	0.000	1	103.8806	6.398	5	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(CC3)(H)	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(CC3)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[3,6]C[6]C)	107.9970	0.000	1	103.7232	8.365	4	103.8806	6.398	5	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(CC3)(H)	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(CC3)(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[3,6]C[6]C)	102.9450	0.000	1	103.7232	8.365	4	103.8806	6.398	5	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(CC3)(H)	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(CC3)(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[3,6]C[6]C)	101.9755	0.340	2	103.7232	8.365	4	103.8806	6.398	5	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(CCHH)(H)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CH)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(CCHH)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[3,6]C[6]C)	107.1260	0.000	1	107.1260	0.000	1	107.1260	0.000	1	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H)	C[6](C[6]C[3,6]CH)(C[3]C[3]2C)(C[6]C[6]HH)(H)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H){2|Br<1>,2|H<1>,5|C<4>}	C[6](C[6]C[3,6]CH)(C[3]C[3]2C)(C[6]C[6]HH)(H){2|Br<1>,2|C<4>,5|H<1>}	H(C[6]C[3,6]C[6]C)	109.1220	0.000	1	109.2840	0.052	2	109.2840	0.052	2	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H)	C[6](C[6]C[3,6]CH)(C[3]C[3]2C)(C[6]C[6]HH)(H)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H){2|Cl<1>,2|H<1>,5|C<4>}	C[6](C[6]C[3,6]CH)(C[3]C[3]2C)(C[6]C[6]HH)(H){2|Cl<1>,2|C<4>,5|H<1>}	H(C[6]C[3,6]C[6]C)	109.4460	0.000	1	109.2840	0.052	2	109.2840	0.052	2	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]N[6]CH)(CCHH)(H)	C[6](C[6]C[3,6]CH)(N[6]C[6]CH)(CCHH)(H)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3,6]O[3]C)(C[6]N[6]CH)(CCHH)(H){1|H<1>,3|C<4>}	C[6](C[6]C[3,6]CH)(N[6]C[6]CH)(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[3,6]C[6]C)	106.0480	0.000	1	106.0480	0.000	1	106.0480	0.000	1	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H)	H(C[6]C[3]C[6]2)	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H){3|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H){2|Cl<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[3]C[6]2)	104.7140	0.000	1	104.7140	0.000	1	104.0106	12.795	5	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(CC3)(H)	H(C[6]C[3]C[6]2)	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,5|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(CC3)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[3]C[6]2)	107.3960	0.000	1	103.8348	16.854	4	104.0106	12.795	5	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(CC3)(H)	H(C[6]C[3]C[6]2)	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,5|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(CC3)(H){1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[3]C[6]2)	107.3530	0.000	1	103.8348	16.854	4	104.0106	12.795	5	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(CC3)(H)	H(C[6]C[3]C[6]2)	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(CC3)(H){1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[3]C[6]2)	100.2951	0.665	2	103.8348	16.854	4	104.0106	12.795	5	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]HH)(C[6]C[6]CH)(H)	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(CC3)(H)	H(C[6]C[3]C[6]2)	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,5|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(CC3)(H){2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[3]C[6]2)	103.2010	0.000	1	103.2010	0.000	1	103.2010	0.000	1	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[3x6]C[6]C)	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|C<4>,3|O<2>,4|H<1>}	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3x6]C[6]C)	106.5860	0.000	1	106.6800	0.161	28	106.6912	0.159	29	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[3x6]C[6]C)	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H){1|N<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3x6]C[6]C)	106.9161	0.197	15	106.6800	0.161	28	106.6912	0.159	29	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[3x6]C[6]C)	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H){2|C<4>,3|O<2>,4|H<1>}	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3x6]C[6]C)	106.3927	0.423	12	106.6800	0.161	28	106.6912	0.159	29	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[3x6]CH)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[3x6]C[6]C)	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H){2|C<4>,3|H<1>,4|O<2>}	C[6](C[6]C[3x6]CH)(C[6]C[6]HO)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3x6]C[6]C)	107.0040	0.000	1	107.0040	0.000	1	106.6912	0.159	29	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]CH)(SC[6a]OO)(H)	C[6](C[6]C[3x6]HS)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[3x6]C[6]S)	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]CH)(SC[6a]OO)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[3x6]HS)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[3x6]C[6]S)	109.1110	0.000	3	109.1110	0.000	3	109.1110	0.000	3	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]CH)(CHHO)(H)	C[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[5,5,6]C[6]C)	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]CH)(CHHO)(H){2|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,5,6]C[6]C)	105.3020	0.000	1	105.3020	0.000	1	105.3020	0.000	1	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6,6]C[6]C)	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6]C)	108.4510	0.000	1	108.5395	0.016	2	108.5395	0.016	2	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6,6]C[6]C)	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CH)(CH3)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6]C)	108.6280	0.000	1	108.5395	0.016	2	108.5395	0.016	2	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[4,5]C[5,6]C)(C[6]C[5,6]CH)(CHHI)(H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[5,6]CH)(CHHI)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[4,5]C[5,6]C)(C[6]C[5,6]CH)(CHHI)(H){1|C<4>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[5,6]CH)(CHHI)(H){2|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]C)	104.5675	0.513	2	104.5675	0.263	2	106.7517	2.806	14	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]CH)(CHHI)(H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[5,6]CH)(CHHI)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]CH)(CHHI)(H){1|C<4>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[5,6]CH)(CHHI)(H){1|C<4>,5|C<3>}	H(C[6]C[5,6]C[6]C)	104.7320	0.000	1	104.7320	0.000	1	106.7517	2.806	14	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]CH)(CCHH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(CCHH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]CH)(CCHH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(CCHH)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.9270	0.000	2	107.5353	0.460	3	106.7517	2.806	14	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]CH)(CCHH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(CCHH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]CH)(CCHH)(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(CCHH)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	106.7520	0.000	1	107.5353	0.460	3	106.7517	2.806	14	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(CCHH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]CH)(CCHH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(CCHH)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]CH)(CCHH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]C)	106.8800	0.000	2	107.6453	1.757	3	106.7517	2.806	14	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(CCHH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]CH)(CCHH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(CCHH)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]CH)(CCHH)(H){1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]C)	109.1760	0.000	1	107.6453	1.757	3	106.7517	2.806	14	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[5,6]CH)(CHHI)(H)	C[6](C[5,6]C[4,5]C[5,6]C)(C[6]C[5,6]CH)(CHHI)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[5,6]CH)(CHHI)(H){2|C<4>,4|C<3>}	C[6](C[5,6]C[4,5]C[5,6]C)(C[6]C[5,6]CH)(CHHI)(H){1|C<4>,6|C<3>}	H(C[6]C[5,6]C[6]C)	108.0820	0.288	2	108.0820	0.083	2	106.7517	2.806	14	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[5,6]CH)(CHHI)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]CH)(CHHI)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[5,6]CH)(CHHI)(H){1|C<4>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]CH)(CHHI)(H){1|C<4>,1|O<1>,4|C<3>}	H(C[6]C[5,6]C[6]C)	104.2870	0.000	1	104.2870	0.000	1	106.7517	2.806	14	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[5,6]CH)(CHHI)(H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[5,6]CH)(CHHI)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[5,6]CH)(CHHI)(H){1|C<4>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[5,6]CH)(CHHI)(H){1|C<4>,5|C<3>}	H(C[6]C[5,6]C[6]C)	107.3320	1.885	2	107.3320	3.554	2	106.7517	2.806	14	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(CCHH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]C)	108.1980	0.000	1	108.1980	0.000	1	107.0546	0.555	20	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2Zr)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]2Zr)(C[6]C[6]CH)(CH3)(H){1|C<5>,1|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(CH3)(H){1|Zr<15>,1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]C)	107.0250	0.000	1	107.0250	0.000	1	107.0546	0.555	20	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6]HH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(CCHH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	106.4025	0.170	4	106.4025	0.029	4	107.0546	0.555	20	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]CH)(CH3)(H){2|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(CH3)(H){1|Zr<15>,1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]C)	107.1910	0.000	1	107.1910	0.000	1	107.0546	0.555	20	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCHH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]C)	106.0350	0.000	1	106.0350	0.000	1	107.0546	0.555	20	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(CCHH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]C)	106.6410	0.000	1	106.6410	0.000	1	107.0546	0.555	20	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(CCHH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(CCHH)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.2120	0.000	1	107.2120	0.000	1	107.0546	0.555	20	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(CH3)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	106.4520	0.000	1	106.4520	0.000	1	107.0546	0.555	20	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCHH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCHH)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.8155	1.351	2	107.8155	1.826	2	107.0546	0.555	20	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CC[6a]HH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CC[6a]HH)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	106.7200	0.147	3	106.7200	0.022	3	107.0546	0.555	20	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.3900	0.000	1	107.3900	0.000	1	107.0546	0.555	20	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]CH)(CH3)(H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]C)	108.1540	0.000	1	108.1540	0.000	1	107.0546	0.555	20	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(CCHH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(CCHH)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	108.1020	0.000	1	107.6965	0.329	2	107.0546	0.555	20	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(CCHH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(H){2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(CCHH)(H){1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.2910	0.000	1	107.6965	0.329	2	107.0546	0.555	20	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(CC[6]CO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]2H)(C[6]C[6]CH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(CC[6]CO)(H){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]2H)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,2|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]C)	107.9710	0.000	1	107.9710	0.000	1	107.9710	0.000	1	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6]H)(C[6]C[6]CO)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6]H)(C[6]C[6]CO)(H)	H(C[6]C[5,6]C[6]2)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6]H)(C[6]C[6]CO)(H){1|C<3>,3|H<1>,4|C<4>,4|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6]H)(C[6]C[6]CO)(H){1|C<3>,3|H<1>,4|C<4>,4|O<2>}	H(C[6]C[5,6]C[6]2)	105.4785	0.203	2	105.4785	0.041	2	105.4785	0.041	2	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6]C[5,6]C[6]2)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,4|C<4>,7|H<1>}	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,7|H<1>}	H(C[6]C[5,6]C[6]2)	107.0960	0.000	1	107.0960	0.000	1	107.0960	0.000	1	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5]C[5,6]C[5]Rh)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6]C[5]Rh)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|Rh<8>,3|C<4>,4|H<1>}	H(C[6]C[5]C[6]2)	105.7310	0.000	1	105.7310	0.000	1	107.6409	0.523	10	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5]C[5]2Fe)(C[6]C[6]CH)(C[6]C[6]HN)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[5,6]HO)(CH3)(H)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]2Fe)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[5,6]HO)(CH3)(H){1|Fe<10>,1|H<1>,1|N<3>,2|C<3>,3|C<4>}	H(C[6]C[5]C[6]2)	108.3670	0.000	1	108.3670	0.000	1	107.6409	0.523	10	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5]C[5]2Hf)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]2Hf)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|Hf<12>,3|C<4>,4|H<1>}	H(C[6]C[5]C[6]2)	107.8215	0.169	2	107.8215	0.029	2	107.6409	0.523	10	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5]C[5]2Ti)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]2Ti)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|Ti<12>,3|C<4>,4|H<1>}	H(C[6]C[5]C[6]2)	107.9445	0.405	2	107.9445	0.164	2	107.6409	0.523	10	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5]C[5]2Zr)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]2Zr)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|Zr<12>,3|C<4>,4|H<1>}	H(C[6]C[5]C[6]2)	107.9020	0.000	1	107.6817	0.038	3	107.6409	0.523	10	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5]C[5]2Zr)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]2Zr)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|Zr<14>,3|C<4>,4|H<1>}	H(C[6]C[5]C[6]2)	107.5715	0.049	2	107.6817	0.038	3	107.6409	0.523	10	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5]C[5]2Zr)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CC[6a]CC)(H)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]2Zr)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CC[6a]CC)(H){1|Zr<12>,3|C<4>,4|H<1>}	H(C[6]C[5]C[6]2)	107.7340	0.000	1	107.7340	0.000	1	107.6409	0.523	10	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[3]C[3,6]2H)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]C[3]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6,6]C[3]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[3]C[3,6]2H)(C[6]C[6]CH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[6,6]C[3]H)(C[6]C[6]HH)(CCCH)(H){4|C<4>,4|H<1>}	H(C[6]C[6,6]C[3]C[6])	108.4160	0.000	1	108.4160	0.000	1	108.4160	0.000	1	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5,6]C[5]H)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6,6]C[5]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5,6]C[5]H)(C[6]C[6]CH)(H){1|C<3>,3|O<2>,4|C<4>,6|H<1>}	C[6](C[6]C[6,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){4|C<4>,4|H<1>}	H(C[6]C[6,6]C[5]C[6])	107.4110	0.000	1	107.4110	0.000	1	107.4110	0.000	1	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]Ru)2(C[6]C[6,6]2H)(H)	C[6](C[6,6]C[6,6]C[6]Ru)2(C[6]C[6,6]2H)(H)	H(C[6]C[6,6]2C[6])	C[6](C[6,6]C[6,6]C[6]Ru)2(C[6]C[6,6]2H)(H){2|Ru<11>,2|H<1>,9|C<4>}	C[6](C[6,6]C[6,6]C[6]Ru)2(C[6]C[6,6]2H)(H){2|Ru<11>,2|H<1>,9|C<4>}	H(C[6]C[6,6]2C[6])	109.2155	0.429	4	109.2155	0.184	4	109.2155	0.184	4	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(CCHH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CH)(CH3)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(CCHH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CH)(CH3)(H){2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	106.1790	0.000	1	106.1790	0.000	1	106.1790	0.000	1	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5]C[6]H)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[5]O[5]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5]C[6]H)(CCHH)(H){2|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]CH)(C[5]O[5]2H)(C[6]C[6]HH)(H){2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]C)	107.1270	0.000	1	107.1270	0.000	1	107.1270	0.000	1	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6]CH)(CH3)(H){1|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	107.6170	0.000	1	107.6170	0.000	1	106.9892	1.272	24	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(CCHH)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	105.6770	0.000	1	105.6770	0.000	1	106.9892	1.272	24	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	105.6110	0.000	1	104.8305	1.218	2	106.9892	1.272	24	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	104.0500	0.000	1	104.8305	1.218	2	106.9892	1.272	24	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(CCHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]C)	106.4420	0.000	1	106.4420	0.000	1	106.9892	1.272	24	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]C)	107.5445	0.121	2	107.5775	0.607	13	106.9892	1.272	24	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.5543	0.735	3	107.5775	0.607	13	106.9892	1.272	24	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	108.2334	0.363	5	107.5775	0.607	13	106.9892	1.272	24	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	106.9030	0.000	1	107.5775	0.607	13	106.9892	1.272	24	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H){2|H<1>,6|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	106.3430	0.004	2	107.5775	0.607	13	106.9892	1.272	24	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CC)(CCHH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]CH)(CH3)(H){1|O<2>,3|C<3>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CC)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6,6]C[6]C)	106.4620	0.000	1	106.4620	0.000	1	106.9892	1.272	24	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CCCO)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CCCO)(H){1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]C)	107.5600	0.000	1	107.5600	0.000	1	106.9892	1.272	24	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CHHO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CHHO)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	106.0650	0.000	1	106.0650	0.000	1	106.9892	1.272	24	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(CCHH)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	107.1845	0.626	2	107.1845	0.392	2	106.9892	1.272	24	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(CH3)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]3)(C[6]C[6]CH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(CH3)(H){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]C)	105.3790	0.000	1	105.3790	0.000	1	106.9892	1.272	24	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N[5]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]N[5]H)(C[6]O[6]HH)(H)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(N[5]C[5]2H)(H)	H(C[6]C[6,6]C[6]2)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]N[5]H)(C[6]O[6]HH)(H){3|C<3>,5|C<4>,6|H<1>}	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(N[5]C[5]2H)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]2)	104.4730	0.000	1	104.4730	0.000	1	104.4730	0.000	1	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NIrHH)(H)	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NIrHH)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NIrHH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NIrHH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]N)	110.0380	2.186	2	110.0380	4.780	2	109.0350	1.602	8	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NRhHH)(H)	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NRhHH)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NRhHH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NRhHH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]N)	109.3330	0.000	1	108.7007	0.750	6	109.0350	1.602	8	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NRhHH)(H)	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NRhHH)(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NRhHH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NRhHH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]N)	108.5742	0.904	5	108.7007	0.750	6	109.0350	1.602	8	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]CH)(C[3]C[3]2C)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H)	H(C[6]C[3]C[6]2)	C[6](C[6]C[3,6]CH)(C[3]C[3]2C)(C[6]C[6]HH)(H){2|Br<1>,2|C<4>,5|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H){2|Br<1>,2|H<1>,5|C<4>}	H(C[6]C[3]C[6]2)	104.6160	0.000	1	106.6930	8.628	2	106.6930	8.628	2	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]CH)(C[3]C[3]2C)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H)	H(C[6]C[3]C[6]2)	C[6](C[6]C[3,6]CH)(C[3]C[3]2C)(C[6]C[6]HH)(H){2|Cl<1>,2|C<4>,5|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H){2|Cl<1>,2|H<1>,5|C<4>}	H(C[6]C[3]C[6]2)	108.7700	0.000	1	106.6930	8.628	2	106.6930	8.628	2	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[5]O[5]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5]C[6]H)(CCHH)(H)	H(C[6]C[5]C[6]2)	C[6](C[6]C[6,6]CH)(C[5]O[5]2H)(C[6]C[6]HH)(H){2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5]C[6]H)(CCHH)(H){2|O<2>,3|C<4>,6|H<1>}	H(C[6]C[5]C[6]2)	107.9520	0.000	1	107.9520	0.000	1	107.9520	0.000	1	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:C[6]-4:N[5]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(BC[6a]2H)(H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[5]C[5]2H)(H)	H(C[6]C[6]2B)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(BC[6a]2H)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[5]C[5]2H)(H){3|C<4>,8|H<1>}	H(C[6]C[6]2B)	107.4310	0.000	1	107.4310	0.000	1	107.4310	0.000	1	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(BC[6a]2C)(H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[6]C[6]2H)(H)	H(C[6]C[6]2B)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(BC[6a]2C)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[6]C[6]2H)(H){3|C<4>,8|H<1>}	H(C[6]C[6]2B)	107.3960	0.000	1	107.3960	0.000	1	107.1935	0.082	2	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(BC[6a]2H)(H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[6]C[6]2H)(H)	H(C[6]C[6]2B)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(BC[6a]2H)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[6]C[6]2H)(H){3|C<4>,8|H<1>}	H(C[6]C[6]2B)	106.9910	0.000	1	106.9910	0.000	1	107.1935	0.082	2	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(CC3)(H)	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]HH)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(CC3)(H){2|H<1>,2|O<2>,4|C<4>}	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6]2C)	107.4680	0.000	1	107.4680	0.000	1	107.4680	0.000	1	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|C<4>,3|O<2>,4|H<1>}	H(C[6]C[6]2C)	107.6830	0.000	1	107.8698	0.080	28	107.8629	0.078	29	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H){1|N<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2C)	107.9556	0.226	16	107.8698	0.080	28	107.8629	0.078	29	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H){2|C<4>,3|O<2>,4|H<1>}	H(C[6]C[6]2C)	107.7620	0.332	11	107.8698	0.080	28	107.8629	0.078	29	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3x6]CH)(C[6]C[6]HO)(CH3)(H)	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[3x6]CH)(C[6]C[6]HO)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H){2|C<4>,3|H<1>,4|O<2>}	H(C[6]C[6]2C)	107.6710	0.000	1	107.6710	0.000	1	107.8629	0.078	29	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6]C[3x6]HS)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]CH)(SC[6a]OO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[3x6]HS)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]CH)(SC[6a]OO)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6]2C)	105.4570	0.000	3	105.4570	0.000	3	105.4570	0.000	3	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]CH)(CHHO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]CH)(CHHO)(H){2|C<3>,2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2C)	107.3870	0.000	1	107.3870	0.000	1	107.3870	0.000	1	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2C)	107.8070	0.000	1	107.7985	0.000	2	107.7985	0.000	2	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CH)(CH3)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.7900	0.000	1	107.7985	0.000	2	107.7985	0.000	2	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(CCHH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(CCHH)(H){1|N<2>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(H){2|C<4>,4|H<1>}	H(C[6]C[6]2C)	105.9610	0.000	1	106.0665	0.022	2	107.1869	1.231	20	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(CCHH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(CCHH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.1720	0.000	1	106.0665	0.022	2	107.1869	1.231	20	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(CH3)(H)	C[6](C[5,6]C[5,6]2Zr)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(CH3)(H){1|Zr<15>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]2Zr)(C[6]C[6]CH)(CH3)(H){1|C<5>,1|H<1>,4|C<4>}	H(C[6]C[6]2C)	105.4860	0.000	1	105.4860	0.000	1	107.1869	1.231	20	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(CH3)(H){1|Zr<15>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]CH)(CH3)(H){2|H<1>,4|C<4>}	H(C[6]C[6]2C)	106.8400	0.000	1	106.8400	0.000	1	107.1869	1.231	20	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(CCHH)(H){4|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.2665	0.405	4	108.2665	0.164	4	107.1869	1.231	20	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(CCHH)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.1160	0.000	1	107.1160	0.000	1	107.1869	1.231	20	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(CCHH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.0610	0.000	1	108.0610	0.000	1	107.1869	1.231	20	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(CCHH)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(CCHH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2C)	108.0570	0.000	1	108.0570	0.000	1	107.1869	1.231	20	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(CH3)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2C)	108.4650	0.000	1	108.4650	0.000	1	107.1869	1.231	20	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	109.0380	0.000	1	109.0380	0.000	1	107.1869	1.231	20	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCHH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2C)	106.0135	0.928	2	106.0135	0.862	2	107.1869	1.231	20	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CC[6a]HH)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CC[6a]HH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2C)	106.5577	0.032	3	106.5577	0.001	3	107.1869	1.231	20	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2C)	106.1380	0.000	1	106.1380	0.000	1	107.1869	1.231	20	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)(H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]CH)(CH3)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.6390	0.000	1	107.6390	0.000	1	107.1869	1.231	20	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(CH3)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CH3)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(CH3)(H){1|C<4>,1|N<2>,2|O<2>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CH3)(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2C)	105.3490	0.000	1	105.3490	0.000	1	105.3490	0.000	1	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[5,6]HO)(CH3)(H)	C[6](C[5]C[5]2Fe)(C[6]C[6]CH)(C[6]C[6]HN)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]H)(C[6]C[5,6]HO)(CH3)(H){1|Fe<10>,1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6](C[5]C[5]2Fe)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.1470	0.000	1	108.1470	0.000	1	106.8093	0.282	10	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[5]C[5,6]C[5]Rh)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|Rh<8>,3|C<4>,4|H<1>}	C[6](C[5]C[5,6]C[5]Rh)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.9560	0.000	1	106.9560	0.000	1	106.8093	0.282	10	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[5]C[5]2Hf)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|Hf<12>,3|C<4>,4|H<1>}	C[6](C[5]C[5]2Hf)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	H(C[6]C[6]2C)	106.9020	0.184	2	106.9020	0.034	2	106.8093	0.282	10	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[5]C[5]2Ti)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|Ti<12>,3|C<4>,4|H<1>}	C[6](C[5]C[5]2Ti)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	H(C[6]C[6]2C)	106.2890	0.146	2	106.2890	0.021	2	106.8093	0.282	10	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[5]C[5]2Zr)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|Zr<12>,3|C<4>,4|H<1>}	C[6](C[5]C[5]2Zr)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	H(C[6]C[6]2C)	106.6800	0.000	1	106.6337	0.003	3	106.8093	0.282	10	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[5]C[5]2Zr)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|Zr<14>,3|C<4>,4|H<1>}	C[6](C[5]C[5]2Zr)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	H(C[6]C[6]2C)	106.6105	0.057	2	106.6337	0.003	3	106.8093	0.282	10	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CC[6a]CC)(H)	C[6](C[5]C[5]2Zr)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CC[6a]CC)(H){1|Zr<12>,3|C<4>,4|H<1>}	C[6](C[5]C[5]2Zr)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	H(C[6]C[6]2C)	106.7070	0.000	1	106.7070	0.000	1	106.8093	0.282	10	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[3]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[3]C[3,6]2H)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]C[3]H)(C[6]C[6]HH)(CCCH)(H){4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[3]C[3,6]2H)(C[6]C[6]CH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6]2C)	106.1980	0.000	1	106.1980	0.000	1	106.1980	0.000	1	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5,6]C[5]H)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5,6]C[5]H)(C[6]C[6]CH)(H){1|C<3>,3|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6]2C)	106.6210	0.000	1	106.6210	0.000	1	106.6210	0.000	1	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CCCO)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CCCO)(H){1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2C)	106.1700	0.000	1	106.1700	0.000	1	107.5017	1.264	23	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(CCHH)(H){1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.1000	0.000	1	107.1000	0.000	1	107.5017	1.264	23	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]CC)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6,6]C[6,6]2O)(C[6]C[6]CH)(CH3)(H){1|O<2>,3|C<3>,3|C<4>}	H(C[6]C[6]2C)	106.1150	0.000	1	106.1150	0.000	1	107.5017	1.264	23	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(CCHH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(H){4|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.2195	1.170	2	107.2195	1.370	2	107.5017	1.264	23	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(CCHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.8310	0.000	1	107.8310	0.000	1	107.5017	1.264	23	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6]CH)(CH3)(H){1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6]2C)	107.9160	0.000	1	107.9160	0.000	1	107.5017	1.264	23	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.6810	0.000	1	107.9180	0.112	2	107.5017	1.264	23	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(H){4|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.1550	0.000	1	107.9180	0.112	2	107.5017	1.264	23	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2C)	108.1450	0.242	2	107.9827	1.097	12	107.5017	1.264	23	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2C)	107.5375	0.175	2	107.9827	1.097	12	107.5017	1.264	23	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.8824	0.316	5	107.9827	1.097	12	107.5017	1.264	23	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H){2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2C)	106.1750	0.000	1	107.9827	1.097	12	107.5017	1.264	23	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H){2|H<1>,6|C<4>}	H(C[6]C[6]2C)	109.4205	1.917	2	107.9827	1.097	12	107.5017	1.264	23	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CHHO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CHHO)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2C)	105.9240	0.000	1	105.9240	0.000	1	107.5017	1.264	23	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(CH3)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(CH3)(H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6]C[6]3)(C[6]C[6]CH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2C)	105.4160	0.000	1	105.4160	0.000	1	107.5017	1.264	23	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]ClC)(CCHH)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(Cl)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]HH)(C[6]C[6]ClC)(CCHH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(Cl){2|C<3>,2|H<1>}	H(C[6]C[6]2C)	106.0720	0.000	1	106.0720	0.000	1	106.0720	0.000	1	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(CH3)(H){1|Zr<15>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(CH3)(H){1|Zr<15>,1|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.2075	0.883	2	106.2075	0.780	2	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.1130	0.000	2	108.1130	0.000	2	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CHHN)(H)	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]CH)(CHHN)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CHHN)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]CH)(CHHN)(H){1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	107.4840	0.000	1	107.4840	0.000	1	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CHHO)(H)	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]CH)(CHHO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CHHO)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]CH)(CHHO)(H){1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	108.1330	0.000	1	108.1330	0.000	1	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a]O[6]O)(C[6]C[6]CH)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a]O[6]O)(C[6]C[6]CH)(CCHO)(H){1|C<4>,1|N<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2C)	105.8660	0.020	2	105.8660	0.000	2	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(CCHH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(CCHH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	104.3030	0.257	2	104.3030	0.066	2	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCHH)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.3470	0.027	2	108.3470	0.001	2	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CCCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.4800	0.000	1	106.4800	0.000	1	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	107.7770	0.000	1	107.7770	0.000	1	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	105.0660	0.000	1	105.0660	0.000	1	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CCCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2C)	107.4970	0.000	1	107.4970	0.000	1	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.0650	0.000	1	107.0650	0.000	1	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<2>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2C)	103.8770	0.000	1	103.8770	0.000	1	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CClCC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC3)(H){1|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CClCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.5030	0.000	1	106.5030	0.000	1	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	103.4100	0.000	1	103.4100	0.000	1	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5a]O[6]O)(C[6]C[6]CH)(CCHO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[5a]O[6]O)(C[6]C[6]CH)(CCHO)(H){1|C<4>,1|N<2>,1|S<2>,2|H<1>}	H(C[6]C[6]2C)	106.4010	0.000	1	106.4010	0.000	1	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.5410	0.000	1	106.5410	0.000	1	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<2>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	105.6680	0.000	1	105.6680	0.000	1	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	105.8393	0.082	3	105.8393	0.007	3	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCoCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCoCH)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	108.1300	0.000	1	108.1300	0.000	1	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HP)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|N<3>,1|P<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HP)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.2530	0.000	1	107.2530	0.000	1	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CO)(CCHO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]CO)(CCHO)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.8690	0.000	1	106.8690	0.000	1	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)2(CC[5]HO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(CC[5]HO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	105.9515	0.691	2	105.9515	0.477	2	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6]HO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6]HO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.4000	0.000	1	108.4000	0.000	1	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	105.3737	0.133	3	105.3737	0.018	3	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.1420	0.160	2	106.1880	0.019	3	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.2800	0.000	1	106.1880	0.019	3	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CClCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CClCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC3)(H){1|Cl<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.2760	0.000	1	106.2760	0.000	1	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCoCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCoCH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,4|H<1>}	H(C[6]C[6]2C)	107.7200	0.000	1	107.7200	0.000	1	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2C)	107.6240	0.000	1	107.6240	0.000	1	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2C)	107.2235	0.422	2	107.0385	0.281	4	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.8535	0.726	2	107.0385	0.281	4	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.4065	0.511	2	107.4065	0.261	2	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)2(CCCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.1360	0.000	1	108.1360	0.000	1	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]PtC)(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|Pt<4>,1|H<1>,3|C<4>}	C[6](C[6]C[6]PtC)(C[6]C[6]CH)(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.8040	0.000	1	107.8040	0.000	1	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(CC3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(CC3)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	107.2050	0.000	1	107.2050	0.000	1	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.0450	0.000	2	106.0450	0.000	2	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	107.5720	0.000	1	107.5720	0.000	1	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.8070	1.254	2	107.8070	1.574	2	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.9300	0.000	1	106.9300	0.000	1	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHP)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHP)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.7710	0.295	4	108.7710	0.087	4	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[6]HH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.4220	0.000	1	108.4220	0.000	1	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[6]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]HH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.8180	0.000	1	107.8180	0.000	1	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	104.6040	0.000	1	104.6040	0.000	1	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	106.8570	0.427	2	106.9600	0.123	3	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.1660	0.000	1	106.9600	0.123	3	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6]HO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	107.5170	0.000	1	107.5170	0.000	1	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2C)	106.1280	0.083	2	106.1280	0.007	2	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(H)	C[6](C[6]C[6]CH)2(CHHO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(CHHO)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.3540	0.611	2	106.3540	0.373	2	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2C)	107.9950	0.000	1	107.9950	0.000	1	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)2(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(CCHH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	106.9735	0.126	4	106.9735	0.016	4	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HP)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]N[6]HP)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|N<3>,1|P<4>,2|H<1>}	H(C[6]C[6]2C)	106.9410	0.000	1	106.9410	0.000	1	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)2(CHHI)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)2(CHHI)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	100.8540	0.000	1	100.8540	0.000	1	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]CO)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]O[6]CO)(CCHO)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2C)	105.4330	0.000	1	105.4330	0.000	1	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.2800	0.000	1	106.2800	0.000	1	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(CCHH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	107.3808	0.243	4	107.3808	0.059	4	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CC[5]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(CC[5]HO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	105.8995	0.008	2	105.8995	0.000	2	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CHHI)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(CHHI)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2C)	107.4370	0.000	1	107.4370	0.000	1	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)2(CHHO)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2C)	104.8835	0.086	2	104.8835	0.007	2	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]PtC)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]PtC)(C[6]C[6]CH)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|Pt<4>,1|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.5780	0.000	1	106.5780	0.000	1	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(CC3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	104.7220	0.000	1	104.7220	0.000	1	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]CH)(CHHN)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CHHN)(H)	H(C[6]C[6]2C)	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]CH)(CHHN)(H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CHHN)(H){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2C)	109.0280	0.000	1	109.0280	0.000	1	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]CH)(CHHO)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CHHO)(H)	H(C[6]C[6]2C)	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]CH)(CHHO)(H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CHHO)(H){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2C)	108.1620	0.000	1	108.1620	0.000	1	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCHH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	107.8750	0.092	2	107.8750	0.008	2	106.7339	1.821	95	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]2H)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]2H)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HO)(C[6]C[6]2H)(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]2H)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,2|O<2>,5|C<4>}	H(C[6]C[6]2C)	108.1930	0.000	1	108.1930	0.000	1	106.8032	2.862	4	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCCH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){5|C<4>,6|H<1>}	H(C[6]C[6]2C)	106.6270	0.000	1	106.6270	0.000	1	106.8032	2.862	4	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCCH)(H){1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6]2C)	107.9120	0.000	1	107.9120	0.000	1	106.8032	2.862	4	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)2(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)2(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6]2C)	104.4810	0.000	1	104.4810	0.000	1	106.8032	2.862	4	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PBHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PBHH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.7330	0.000	1	106.7330	0.000	1	106.4278	0.443	26	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]2H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]2H)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.7910	0.000	1	106.7910	0.000	1	106.4278	0.443	26	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]2O)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]2O)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.7520	0.219	4	106.7520	0.048	4	106.4278	0.443	26	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]2Ru)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]2Ru)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	104.7050	0.143	3	104.7050	0.020	3	106.4278	0.443	26	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]BC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]BC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.6090	0.081	2	106.6090	0.006	2	106.4278	0.443	26	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]BO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]BO)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.5993	0.246	3	106.5993	0.060	3	106.4278	0.443	26	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]CO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]CO)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.5526	0.207	9	106.5526	0.043	9	106.4278	0.443	26	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]PdC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]PdC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.6110	0.000	1	106.6110	0.000	1	106.4278	0.443	26	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PPtCC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PPtCC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.9385	0.173	2	106.9385	0.030	2	106.4278	0.443	26	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(SC[6a]OO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(SC[6a]OO)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	108.2110	0.000	1	108.2110	0.000	1	107.6412	1.685	4	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6]C[6]HS)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]P[6]CH)(SC[6a]OO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HS)(C[6]O[6]CH)(CH3)(H){1|C<4>,1|H<1>,1|P<4>}	C[6](C[6]C[6]CH)(C[6]P[6]CH)(SC[6a]OO)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>}	H(C[6]C[6]2C)	108.4060	0.000	1	108.4060	0.000	1	107.6412	1.685	4	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6]C[6]HS)(C[6]O[6]HH)(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HS)(C[6]O[6]HH)(CCHN)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)(H){1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	106.9740	1.805	2	106.9740	3.256	2	107.6412	1.685	4	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SiC[6a]CC)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(CHHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SiC[6a]CC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.5800	0.000	1	106.5800	0.000	1	107.4485	1.509	2	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SiCCO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]SiH)(C[6]C[6]HO)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SiCCO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.3170	0.000	1	108.3170	0.000	1	107.4485	1.509	2	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]N[6]CH)(CCHH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]N[6]CH)(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CCHH)(H){1|C<2>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2C)	105.6780	0.000	1	105.6780	0.000	1	105.6780	0.000	1	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:P[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]P[6]CH)(CCCH)(H)	C[6](C[6]C[6]CH)(P[6]O[6]OO)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HN)(C[6]P[6]CH)(CCCH)(H){1|O<1>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(P[6]O[6]OO)(CH3)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2C)	105.3480	0.000	1	105.3480	0.000	1	105.3480	0.000	1	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CCHH)(H)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CCHH)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	106.1480	0.034	2	106.1480	0.001	2	106.4630	0.298	3	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCHH)(H)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CCHH)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.0930	0.000	1	107.0930	0.000	1	106.4630	0.298	3	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	C[6](PC[6a]C[6]Ni)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	C[6](PC[6a]C[6]Ni)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.4045	0.735	2	106.4045	0.540	2	106.4045	0.540	2	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	P[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(CCCH)(H)	C[6](P[5]C[5,6a]C[5]O)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](P[5]C[5,6a]C[5]O)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2C)	106.7690	0.000	1	106.7690	0.000	1	106.7690	0.000	1	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	P[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](P[6]C[6,6a]O[6]B)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(CCCH)(H){1|B<4>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](P[6]C[6,6a]O[6]B)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	106.3867	0.179	3	106.3867	0.032	3	106.6166	0.158	5	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	P[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](P[6]C[6,6a]O[6]Pd)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(CCCH)(H){1|Pd<4>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](P[6]C[6,6a]O[6]Pd)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	106.9615	0.412	2	106.9615	0.170	2	106.6166	0.158	5	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	Si[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]Si[5,6,6]HH)(C[6]Si[6]CH)(CH3)(H)	C[6](Si[6]C[5,6]CC)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6]2C)	C[6](C[6]Si[5,6,6]HH)(C[6]Si[6]CH)(CH3)(H){2|C<3>,3|C<4>}	C[6](Si[6]C[5,6]CC)(C[6]C[6]CH)(CH3)(H){1|Si<4>,1|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.4147	0.290	4	107.4147	0.084	4	107.4147	0.084	4	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]2H)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(CC[6]CO)(H)	H(C[6]C[6]3)	C[6](C[6]C[5,6]CH)(C[6]C[6]2H)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,2|O<2>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(CC[6]CO)(H){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6]3)	106.6800	0.000	1	106.6800	0.000	1	106.6800	0.000	1	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)2(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6]3)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,4|C<4>,7|H<1>}	H(C[6]C[6]3)	106.2790	0.000	1	106.2790	0.000	1	106.2790	0.000	1	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]2H)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]2H)(CH3)(H)	H(C[6]C[6]3)	C[6](C[6]C[5,6]CH)(C[6]C[6]2H)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,2|O<2>,5|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]2H)(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]3)	106.7760	0.000	1	106.7760	0.000	1	106.4890	0.166	4	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){5|C<4>,6|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCCH)(H){3|C<4>,5|H<1>}	H(C[6]C[6]3)	106.8960	0.000	1	106.8960	0.000	1	106.4890	0.166	4	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCCH)(H){1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]3)	106.0780	0.000	1	106.0780	0.000	1	106.4890	0.166	4	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)2(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]3)	106.2060	0.000	1	106.2060	0.000	1	106.4890	0.166	4	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6]3)	105.1540	0.000	1	105.1540	0.000	1	107.5758	0.714	45	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){5|C<4>,6|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){5|C<4>,6|H<1>}	H(C[6]C[6]3)	106.9600	0.000	1	106.9600	0.000	1	107.5758	0.714	45	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]CH)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|N<4>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]CH)(H){1|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6]3)	104.9920	0.000	1	104.9920	0.000	1	107.5758	0.714	45	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,2|O<1>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,7|H<1>}	H(C[6]C[6]3)	107.1980	0.146	2	107.1980	0.021	2	107.5758	0.714	45	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]CH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]CH)(H){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|N<4>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6]3)	107.2830	0.000	1	107.2830	0.000	1	107.5758	0.714	45	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]3)	107.4520	0.000	1	107.4520	0.000	1	107.5758	0.714	45	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,7|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,2|O<1>,4|H<1>}	H(C[6]C[6]3)	106.8600	0.233	2	106.8600	0.054	2	107.5758	0.714	45	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,8|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,8|H<1>}	H(C[6]C[6]3)	107.8917	0.625	6	107.8043	0.432	36	107.5758	0.714	45	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,8|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|N<3>,2|C<4>,8|H<1>}	H(C[6]C[6]3)	106.3000	0.000	1	107.8043	0.432	36	107.5758	0.714	45	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|N<3>,2|C<4>,8|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,8|H<1>}	H(C[6]C[6]3)	109.3530	0.000	1	107.8043	0.432	36	107.5758	0.714	45	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|N<3>,2|C<4>,8|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|N<3>,2|C<4>,8|H<1>}	H(C[6]C[6]3)	107.6980	0.301	2	107.8043	0.432	36	107.5758	0.714	45	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|N<4>,2|C<4>,8|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|N<4>,2|C<4>,8|H<1>}	H(C[6]C[6]3)	108.0778	0.338	18	107.8043	0.432	36	107.5758	0.714	45	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){3|C<4>,8|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){3|C<4>,8|H<1>}	H(C[6]C[6]3)	107.1445	0.477	8	107.8043	0.432	36	107.5758	0.714	45	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N[6]H)(C[6]C[6]N[6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]2H)(H)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]N[6]H)(C[6]C[6]N[6]H)(C[6]C[6]HH)(H){1|S<4>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]2H)(H){1|C<3>,1|N<2>,3|C<4>,9|H<1>}	H(C[6]C[6]3)	105.7820	0.000	1	105.7820	0.000	1	105.7820	0.000	1	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]CH)(H)	C[6](C[6]C[6]2H)(N[6]C[6]HH)(CCHO)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]CH)(H){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6]2H)(N[6]C[6]HH)(CCHO)(H){3|C<4>,5|H<1>}	H(C[6]C[6]3)	107.2980	0.000	1	107.2980	0.000	1	107.2980	0.000	1	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6,6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NIrHH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NIrHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NIrHH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NIrHH)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	108.6315	0.598	2	108.6315	0.357	2	108.2986	0.182	8	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6,6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NRhHH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NRhHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NRhHH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NRhHH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	108.4420	0.000	1	108.1877	0.125	6	108.2986	0.182	8	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6,6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NRhHH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NRhHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NRhHH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NRhHH)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	108.1368	0.369	5	108.1877	0.125	6	108.2986	0.182	8	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NAlCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.7161	0.644	18	107.7161	0.415	18	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.7110	0.000	1	107.7110	0.000	1	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.4657	0.617	20	108.4657	0.380	20	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6a]CoC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6a]CoC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6a]CoC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6a]CoC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.2260	0.294	2	107.2260	0.087	2	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6a]FeC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6a]FeC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6a]FeC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6a]FeC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.1790	1.254	2	107.1790	1.574	2	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6a]MnC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6a]MnC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6a]MnC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6a]MnC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.8485	0.375	2	106.8485	0.141	2	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCdCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCdCC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCdCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCdCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	105.1749	4.286	5	105.1749	18.374	5	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCdCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCdCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCdCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCdCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.6075	0.312	2	108.6075	0.097	2	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCdCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCdHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCdCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCdHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.8310	0.000	1	107.8310	0.000	1	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCdHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCdCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCdHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCdCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.5570	0.000	1	107.5570	0.000	1	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoCC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.5100	0.000	1	107.5100	0.000	1	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCoHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.3074	0.180	9	108.3074	0.032	9	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCrHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCrHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCrHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCrHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.1594	0.276	13	108.1594	0.076	13	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuCC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.6309	1.257	42	106.6309	1.580	42	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	105.9500	0.000	1	105.9500	0.000	1	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuCC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.8540	0.000	1	108.8540	0.000	1	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.8850	0.697	9	107.8850	0.486	9	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCuHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.8245	0.382	10	107.8245	0.146	10	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeCC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.5992	0.953	16	106.5992	0.907	16	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.0095	0.375	2	108.0095	0.141	2	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NFeHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.8765	0.810	2	107.8765	0.656	2	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.2651	1.619	36	108.2651	2.621	36	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHgCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHgCC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHgCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHgCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.6205	0.688	8	106.6205	0.473	8	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHgCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHgHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHgCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHgHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.8690	0.000	1	107.8690	0.000	1	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHgHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHgCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHgHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHgCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.8550	0.000	1	106.8550	0.000	1	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NIrCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NIrCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NIrCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NIrCH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2N)	108.9410	0.421	2	108.9410	0.178	2	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NIrHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NIrHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NIrHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NIrHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.2315	0.435	10	108.2315	0.190	10	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NLi2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NLiSiH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NLi2C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NLiSiH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.6430	0.611	2	108.6430	0.373	2	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NLiCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NLiCC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NLiCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NLiCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.6238	0.505	50	106.6238	0.255	50	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NLiSiH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NLi2C)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NLiSiH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NLi2C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.8980	0.573	2	107.8980	0.328	2	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMgCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMgCC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMgCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMgCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.8210	0.132	2	106.8210	0.017	2	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnCC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.0504	0.698	11	107.0504	0.487	11	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.7500	0.000	1	106.7500	0.000	1	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnCC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.2610	0.000	1	108.2610	0.000	1	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMnCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.9317	0.544	4	107.9317	0.296	4	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiCC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.0397	0.436	4	107.0397	0.190	4	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.7512	0.654	16	107.7512	0.427	16	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NNiHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.8412	0.520	9	107.8412	0.271	9	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPdCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPdCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPdCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPdCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.0138	1.707	4	108.0138	2.915	4	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPdHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPdHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPdHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPdHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.4355	0.152	2	107.4355	0.023	2	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPdHH)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NPdHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPdHH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NPdHH)(H){1|C<4>,1|H<1>,1|H<2>}	H(C[6]C[6]2N)	112.8080	0.000	1	110.2823	3.380	4	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPdHH)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NPdHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPdHH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NPdHH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2N)	109.4403	0.904	3	110.2823	3.380	4	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPtHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPtHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPtHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPtHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.7750	3.514	46	107.7750	12.347	46	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPtHH)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NPtHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPtHH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NPtHH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2N)	109.0655	0.725	2	109.0655	0.525	2	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRuCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRuCC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRuCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRuCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.8995	0.356	4	106.8995	0.127	4	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRuCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRuCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRuCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRuCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.1955	0.187	2	108.1955	0.035	2	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRuCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRuHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRuCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRuHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.4820	0.000	1	108.4820	0.000	1	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRuHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRuCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRuHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRuCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.5360	0.000	1	107.5360	0.000	1	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRuHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRuHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRuHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NRuHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.8794	0.643	8	107.8794	0.413	8	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.8152	0.569	43	106.8152	0.324	43	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.3630	0.527	8	106.3630	0.278	8	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCC)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.6944	0.362	8	108.6944	0.131	8	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.8410	0.997	2	107.8410	0.994	2	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NZnHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	109.0148	0.370	4	109.0148	0.137	4	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NPdHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPdHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NPdHH)(H){1|C<4>,1|H<1>,1|H<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPdHH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	107.2940	0.000	1	108.2452	0.502	4	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NPdHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPdHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NPdHH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPdHH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	108.5623	0.387	3	108.2452	0.502	4	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NPtHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPtHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NPtHH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPtHH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	108.6630	0.256	2	108.6630	0.066	2	107.4794	2.585	465	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N[5]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(N[5]C[5]2H)(H)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]N[5]H)(C[6]O[6]HH)(H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(N[5]C[5]2H)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]N[5]H)(C[6]O[6]HH)(H){3|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6]2N[5])	108.1010	0.000	1	108.1010	0.000	1	108.1010	0.000	1	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N[5]-4:H-1:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[5]C[5]2H)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(BC[6a]2H)(H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[5]C[5]2H)(H){3|C<4>,8|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(BC[6a]2H)(H){3|C<4>,5|H<1>}	H(C[6]C[6]2N[5])	107.3430	0.000	1	107.3430	0.000	1	107.3430	0.000	1	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[6]C[6]2H)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(BC[6a]2C)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[6]C[6]2H)(H){3|C<4>,8|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(BC[6a]2C)(H){3|C<4>,5|H<1>}	H(C[6]C[6]2N[6])	107.1840	0.000	1	107.1840	0.000	1	107.2060	0.001	2	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[6]C[6]2H)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(BC[6a]2H)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[6]C[6]2H)(H){3|C<4>,8|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(BC[6a]2H)(H){3|C<4>,5|H<1>}	H(C[6]C[6]2N[6])	107.2280	0.000	1	107.2280	0.000	1	107.2060	0.001	2	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]2H)(H)	C[6](C[6]C[6,6a]N[6]H)(C[6]C[6]N[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]2H)(H){1|C<3>,1|N<2>,3|C<4>,9|H<1>}	C[6](C[6]C[6,6a]N[6]H)(C[6]C[6]N[6]H)(C[6]C[6]HH)(H){1|S<4>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2N[6])	106.3880	0.000	1	106.3880	0.000	1	106.3880	0.000	1	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]HH)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]HH)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]HH)(H){3|C<4>,8|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]HH)(H){3|C<4>,8|H<1>}	H(C[6]C[6]2N[6])	108.4035	0.950	2	108.4035	0.902	2	108.4035	0.902	2	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PBHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	H(C[6]C[6]2P)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PBHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2P)	108.1050	0.000	1	108.1050	0.000	1	107.4808	2.586	26	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	H(C[6]C[6]2P)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]2H)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.1500	0.000	1	106.1500	0.000	1	107.4808	2.586	26	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]2O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	H(C[6]C[6]2P)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]2O)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2P)	109.1633	0.069	4	109.1633	0.005	4	107.4808	2.586	26	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]2Ru)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	H(C[6]C[6]2P)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]2Ru)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2P)	103.5727	0.283	3	103.5727	0.080	3	107.4808	2.586	26	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]BC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	H(C[6]C[6]2P)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]BC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2P)	108.2995	0.350	2	108.2995	0.123	2	107.4808	2.586	26	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]BO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	H(C[6]C[6]2P)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]BO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.9333	0.287	3	107.9333	0.082	3	107.4808	2.586	26	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]CO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	H(C[6]C[6]2P)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]CO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.7237	0.474	9	107.7237	0.224	9	107.4808	2.586	26	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]PdC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	H(C[6]C[6]2P)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]PdC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2P)	108.0760	0.000	1	108.0760	0.000	1	107.4808	2.586	26	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PPtCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	H(C[6]C[6]2P)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PPtCC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.4430	0.492	2	107.4430	0.242	2	107.4808	2.586	26	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(PCCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(PC[6a]2O)(H)	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(PCCO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(PC[6a]2O)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.0950	0.000	1	106.0950	0.000	1	106.7510	0.861	2	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(PC[6a]2O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(PCCO)(H)	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(PC[6a]2O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(PCCO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.4070	0.000	1	107.4070	0.000	1	106.7510	0.861	2	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6]C[6]HS)(C[6]O[6]HH)(CCHN)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HS)(C[6]O[6]HH)(CCHN)(H){1|C<3>,2|H<1>}	H(C[6]C[6]2S)	108.2765	0.757	2	108.2765	0.574	2	107.3632	1.340	4	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]P[6]CH)(SC[6a]OO)(H)	C[6](C[6]C[6]HS)(C[6]O[6]CH)(CH3)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6]CH)(C[6]P[6]CH)(SC[6a]OO)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[6](C[6]C[6]HS)(C[6]O[6]CH)(CH3)(H){1|C<4>,1|H<1>,1|P<4>}	H(C[6]C[6]2S)	106.6860	0.000	1	106.6860	0.000	1	107.3632	1.340	4	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(SC[6a]OO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2S)	106.2140	0.000	1	106.2140	0.000	1	107.3632	1.340	4	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:P[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]P[6]CH)(SC[6a]OO)(H)	C[6](C[6]C[6]HS)(P[6]O[6]OO)(CCHH)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6]CH)(C[6]P[6]CH)(SC[6a]OO)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[6](C[6]C[6]HS)(P[6]O[6]OO)(CCHH)(H){1|H<1>,2|C<4>}	H(C[6]C[6]2S)	106.7150	0.000	1	106.7150	0.000	1	106.7150	0.000	1	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SiCCO)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]HO)(CH3)(H)	H(C[6]C[6]2Si)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SiCCO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]HO)(CH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2Si)	105.4750	0.000	1	105.4750	0.000	1	105.8215	0.240	2	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SiC[6a]CC)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(CHHO)(H)	H(C[6]C[6]2Si)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SiC[6a]CC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(CHHO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2Si)	106.1680	0.000	1	106.1680	0.000	1	105.8215	0.240	2	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]CH)(N[6]C[6]CH)(CCHH)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]N[6]CH)(CCHH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[3,6]CH)(N[6]C[6]CH)(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]N[6]CH)(CCHH)(H){1|H<1>,3|C<4>}	H(C[6]C[6]N[6]C)	107.3390	0.000	1	107.3390	0.000	1	107.3390	0.000	1	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6]CO)(C[6]N[6]CH)(CCHH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CCHH)(H){1|C<2>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]N[6]CH)(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]N[6]C)	106.0380	0.000	1	106.0380	0.000	1	106.0380	0.000	1	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(N[6]C[6]HH)(CCHO)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]2H)(N[6]C[6]HH)(CCHO)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]CH)(H){1|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6]N[6]C)	107.4210	0.000	1	107.4210	0.000	1	107.4210	0.000	1	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:P-4:H-1:	C[6]-4:N[6]-4:P-4:H-1:	C[6]-4:	C[6](C[6]N[6]HP)(N[6]C[6]HH)(PO3)(H)	C[6](C[6]N[6]HP)(N[6]C[6]HH)(PO3)(H)	H(C[6]C[6]N[6]P)	C[6](C[6]N[6]HP)(N[6]C[6]HH)(PO3)(H){1|C<4>,4|H<1>}	C[6](C[6]N[6]HP)(N[6]C[6]HH)(PO3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]P)	107.8532	0.837	5	107.8532	0.701	5	107.8532	0.701	5	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:P[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(P[6]O[6]OO)(CH3)(H)	C[6](C[6]C[6]HN)(C[6]P[6]CH)(CCCH)(H)	H(C[6]C[6]P[6]C)	C[6](C[6]C[6]CH)(P[6]O[6]OO)(CH3)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HN)(C[6]P[6]CH)(CCCH)(H){1|O<1>,2|H<1>,2|O<2>}	H(C[6]C[6]P[6]C)	108.3390	0.000	1	108.3390	0.000	1	108.3390	0.000	1	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:P[6]-4:C-4:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6]C[6]HS)(P[6]O[6]OO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]P[6]CH)(SC[6a]OO)(H)	H(C[6]C[6]P[6]C)	C[6](C[6]C[6]HS)(P[6]O[6]OO)(CCHH)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]P[6]CH)(SC[6a]OO)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>}	H(C[6]C[6]P[6]C)	108.0290	0.000	1	108.0290	0.000	1	108.0290	0.000	1	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CCHH)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CCHH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	107.5240	0.450	2	107.5240	0.202	2	107.4983	0.103	3	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCHH)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CCHH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.4470	0.000	1	107.4470	0.000	1	107.4983	0.103	3	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](PC[6a]C[6]Ni)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	H(C[6]C[6]2P)	C[6](PC[6a]C[6]Ni)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.9695	0.169	2	107.9695	0.029	2	107.9695	0.029	2	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	P[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](P[5]C[5,6a]C[5]O)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2P[5])	C[6](P[5]C[5,6a]C[5]O)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2P[5])	107.5300	0.000	1	107.5300	0.000	1	107.5300	0.000	1	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	P[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](P[6]C[6,6a]O[6]B)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2P[6])	C[6](P[6]C[6,6a]O[6]B)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(CCCH)(H){1|B<4>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]2P[6])	107.7767	0.293	3	107.7767	0.086	3	107.4788	1.075	5	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	P[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](P[6]C[6,6a]O[6]Pd)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(CCCH)(H)	H(C[6]C[6]2P[6])	C[6](P[6]C[6,6a]O[6]Pd)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(CCCH)(H){1|Pd<4>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]2P[6])	107.0320	1.861	2	107.0320	3.464	2	107.4788	1.075	5	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	Si[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](Si[6]C[5,6]CC)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]Si[5,6,6]HH)(C[6]Si[6]CH)(CH3)(H)	H(C[6]Si[6]C[6]C)	C[6](Si[6]C[5,6]CC)(C[6]C[6]CH)(CH3)(H){1|Si<4>,1|C<3>,2|H<1>}	C[6](C[6]Si[5,6,6]HH)(C[6]Si[6]CH)(CH3)(H){2|C<3>,3|C<4>}	H(C[6]Si[6]C[6]C)	105.9935	0.393	4	105.9935	0.154	4	105.9935	0.154	4	107.2681	2.180	979	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3,5]C[6]O)(CCHO)(H)	C[6](C[3,5]C[3,5]C[5]O[3])(C[6]C[3,6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3,5]C[6]O)(CCHO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[3,5]C[3,5]C[5]O[3])(C[6]C[3,6]CH)(C[6]C[6]HH)(OH){1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[3,6]C[6]C)	106.0360	0.000	1	106.0360	0.000	1	106.0360	0.000	1	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5]C[6]O)(CCHH)(H)	C[6](C[5]C[5,5]C[5]H)(C[6]C[5,6]CH)(C[6]C[6]CH)(OH)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5]C[6]O)(CCHH)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[5]C[5,5]C[5]H)(C[6]C[5,6]CH)(C[6]C[6]CH)(OH){3|O<2>,4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]C)	106.7605	0.161	2	106.7605	0.026	2	106.7605	0.026	2	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6]HH)(OH)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CCHH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6]HH)(OH){2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]C)	106.5320	0.000	1	106.5320	0.000	1	106.9000	0.271	2	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH)(OH)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CCHH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH)(OH){2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]C)	107.2680	0.000	1	107.2680	0.000	1	106.9000	0.271	2	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]CO)(CHHO)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CH)(CH3)(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]CO)(CHHO)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CH)(CH3)(OH){1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	105.8410	0.000	1	105.8410	0.000	1	105.8410	0.000	1	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	105.0480	0.000	1	105.0480	0.000	1	105.0759	0.149	15	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	104.9685	0.562	6	104.9685	0.316	6	105.0759	0.149	15	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CC[5]HH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CC[5]HH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	105.1370	0.000	1	105.1370	0.000	1	105.0759	0.149	15	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CC[6a]HH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CC[6a]HH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	104.9287	0.057	3	104.9287	0.003	3	105.0759	0.149	15	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHI)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHI)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	105.4570	0.000	1	105.4570	0.000	1	105.0759	0.149	15	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	105.0860	0.000	1	105.2997	0.036	3	105.0759	0.149	15	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	105.4530	0.000	1	105.2997	0.036	3	105.0759	0.149	15	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	105.3600	0.000	1	105.2997	0.036	3	105.0759	0.149	15	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[3]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[3]C[6]O)(C[6]C[5,6]HO)(CCCH)(H)	C[6](C[3]C[3,5]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[3]C[6]O)(C[6]C[5,6]HO)(CCCH)(H){1|C<3>,2|H<1>,5|C<4>}	C[6](C[3]C[3,5]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(OH){1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6]2C)	107.9210	0.211	2	107.9210	0.044	2	107.9210	0.044	2	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HH)(CCHH)(H)	C[6](C[5]C[5]2O)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HH)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6](C[5]C[5]2O)(C[6]C[6]CH)(C[6]C[6]HH)(OH){2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2C)	106.7190	0.000	1	106.7190	0.000	1	107.1644	0.965	12	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HO)(CH3)(H)	C[6](C[5]C[5,5]C[5]H)(C[6]C[5,6]CH)(C[6]C[6]CH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HO)(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5]C[5,5]C[5]H)(C[6]C[5,6]CH)(C[6]C[6]CH)(OH){3|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.3150	0.008	2	106.3150	0.000	2	107.1644	0.965	12	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	H(C[6]C[6]2C)	107.5860	0.000	1	107.8708	0.203	6	107.1644	0.965	12	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6]2C)	107.9130	0.000	1	107.8708	0.203	6	107.1644	0.965	12	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2C)	107.7100	0.000	1	107.8708	0.203	6	107.1644	0.965	12	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2C)	107.2540	0.000	1	107.8708	0.203	6	107.1644	0.965	12	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.3810	0.068	2	107.8708	0.203	6	107.1644	0.965	12	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(OSi)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(OSi){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2C)	107.9840	0.000	1	107.9840	0.000	1	107.1644	0.965	12	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HO)(CCHH)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HO)(CCHH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	105.7075	0.221	2	105.7075	0.049	2	107.1644	0.965	12	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(OH){2|C<4>,6|H<1>}	H(C[6]C[6]2C)	104.4330	0.000	1	104.4330	0.000	1	106.9787	2.247	10	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(OC)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CCHH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(OC){3|C<4>,5|H<1>}	H(C[6]C[6]2C)	107.6120	0.000	1	107.6120	0.000	1	106.9787	2.247	10	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CC[5a]HH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CC[5a]HH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(OH){3|C<4>,5|H<1>}	H(C[6]C[6]2C)	106.9560	0.000	1	106.9560	0.000	1	106.9787	2.247	10	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH){3|C<4>,5|H<1>}	H(C[6]C[6]2C)	106.3630	2.074	3	106.3630	4.301	3	106.9787	2.247	10	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HO)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CO)(C[6]C[6]HO)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.0080	0.027	2	107.9243	0.010	4	106.9787	2.247	10	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HO)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CO)(C[6]C[6]HO)(CH3)(H){1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.8405	0.009	2	107.9243	0.010	4	106.9787	2.247	10	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HH)(CH3)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HH)(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6]2C)	106.3120	0.000	1	107.1295	1.337	2	107.7734	0.400	9	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HH)(CH3)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HH)(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6]2C)	107.9470	0.000	1	107.1295	1.337	2	107.7734	0.400	9	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HO)(CH3)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HO)(CH3)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.1520	0.458	2	108.1520	0.210	2	107.7734	0.400	9	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HH)(CH3)(H){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6]2C)	108.0260	0.135	4	108.0260	0.018	4	107.7734	0.400	9	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){2|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6]2C)	107.2940	0.000	1	107.2940	0.000	1	107.7734	0.400	9	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCO)(CN)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCO)(CN){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	102.7710	0.000	1	102.7710	0.000	1	105.4508	1.178	9	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CN)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CN){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.0933	0.375	3	106.0933	0.140	3	105.4508	1.178	9	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HH)(CN)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HH)(CN){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	105.8950	0.000	1	105.8950	0.000	1	105.4508	1.178	9	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HO)(CN)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HO)(CN){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.0720	0.000	1	106.0720	0.000	1	105.4508	1.178	9	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(CN)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(CN){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	105.4050	0.000	1	105.4050	0.000	1	105.4508	1.178	9	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CN)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CN){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	105.0930	0.000	1	105.0930	0.000	1	105.4508	1.178	9	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:	C[6](C[6]C[6]CC)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CN)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CN){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	105.5410	0.000	1	105.5410	0.000	1	105.4508	1.178	9	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CN)(CF3)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CH3)(NS)	H(C[6]C[6]2C)	C[6](C[6]C[3,6]HH)(C[6]C[6]CN)(CF3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CH3)(NS){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.7270	0.000	1	107.7270	0.000	1	107.7270	0.000	1	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]C[6]CO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]2C)(C[6]C[6]CO)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.3610	0.000	1	107.3610	0.000	1	106.0296	0.972	42	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	105.1430	0.000	1	105.1430	0.000	1	106.0296	0.972	42	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC[6,6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC[6,6]HH)(H){1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	105.9360	0.000	1	105.9360	0.000	1	106.0296	0.972	42	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC[6]HH)(H){1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	105.1600	0.000	1	105.1600	0.000	1	106.0296	0.972	42	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC[6a]HH)(H){1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	105.6060	0.000	1	105.6060	0.000	1	106.0296	0.972	42	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	105.7895	1.336	2	105.7895	1.784	2	106.0296	0.972	42	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	105.7970	0.496	8	105.7970	0.246	8	106.0296	0.972	42	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H){1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	105.5110	0.000	1	105.1460	0.266	2	106.0296	0.972	42	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	104.7810	0.000	1	105.1460	0.266	2	106.0296	0.972	42	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H){1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.5300	0.000	1	105.6640	1.500	2	106.0296	0.972	42	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H){1|C<4>,1|I<1>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	104.7980	0.000	1	105.6640	1.500	2	106.0296	0.972	42	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCo2C)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCo2C)(OH){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	105.9245	0.668	6	105.9245	0.446	6	106.0296	0.972	42	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	105.1680	0.185	2	105.1680	0.034	2	106.0296	0.972	42	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHS)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHS)(OH){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	104.1380	0.689	2	104.1380	0.474	2	106.0296	0.972	42	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]HH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]HH)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.1400	0.000	1	107.1400	0.000	1	106.0296	0.972	42	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	105.9720	0.000	1	105.9720	0.000	1	106.0296	0.972	42	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)2(CCCH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(CCCH)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.5760	0.610	2	106.5760	0.372	2	106.0296	0.972	42	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)2(CCCH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CC[6a]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(CCCH)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.2860	0.123	2	107.2860	0.015	2	106.0296	0.972	42	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.4250	0.000	1	107.4250	0.000	1	106.0296	0.972	42	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HN)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHHO)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]C[6]HN)(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHHO)(OH){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	106.5115	0.087	2	106.5115	0.008	2	106.0296	0.972	42	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]N[6]CH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CH3)(OC)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]N[6]CH)(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CH3)(OC){1|C<2>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2C)	105.6750	0.000	1	105.6750	0.000	1	106.0296	0.972	42	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]O[6]CH)(CH3)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	107.8780	0.247	2	107.8780	0.061	2	106.0296	0.972	42	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]CO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]ClH)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|Cl<1>,1|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.5900	0.000	1	107.5900	0.000	1	106.0296	0.972	42	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]C[6]CO)(CH3)(H)	C[6](C[6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CN)	H(C[6]C[6]2C)	C[6](C[6]C[6]2C)(C[6]C[6]CO)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CN){1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6]2C)	107.0530	0.000	1	107.0530	0.000	1	107.0530	0.000	1	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(OH)	H(C[6]C[6]3)	C[6](C[6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(H){3|C<4>,8|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(OH){1|O<2>,3|C<4>,7|H<1>}	H(C[6]C[6]3)	106.3707	0.180	3	106.3707	0.032	3	106.3707	0.032	3	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH)	H(C[6]C[6]2N)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.1070	0.000	1	106.1070	0.000	1	106.1070	0.000	1	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(PC[6]2O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CH3)(OH)	H(C[6]C[6]2P)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(PC[6]2O)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CH3)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2P)	104.7530	0.600	2	104.7530	0.360	2	106.0139	1.174	8	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(PC[6a]2B)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CH3)(OH)	H(C[6]C[6]2P)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(PC[6a]2B)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CH3)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.1165	0.418	2	106.1165	0.175	2	106.0139	1.174	8	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(PC[6a]HO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CH3)(OH)	H(C[6]C[6]2P)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(PC[6a]HO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CH3)(OH){1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.5930	1.023	4	106.5930	1.047	4	106.0139	1.174	8	106.2799	1.433	119	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CC)(CC[6]HO)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(CCHO)(CHH)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CC)(CC[6]HO)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(CCHO)(CHH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[3,6]C[6]C)	105.1670	0.000	1	105.1670	0.000	1	105.1670	0.000	1	105.9983	1.473	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[3,6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CC)(SCOO)(H)	C[6](C[6]C[3,6]HS)(C[6]C[6]HH)(CH3)(COO)	H(C[6]C[3,6]C[6]S)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CC)(SCOO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[3,6]HS)(C[6]C[6]HH)(CH3)(COO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[3,6]C[6]S)	106.8260	0.000	1	106.8260	0.000	1	106.8260	0.000	1	105.9983	1.473	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[4,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[6]HO)(H)	C[6](C[6]C[4,6]CH)(C[6]C[6]FH)(CH3)(CCO)	H(C[6]C[4,6]C[6]C)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[6]HO)(H){1|C<4>,1|F<1>,1|O<2>,4|H<1>}	C[6](C[6]C[4,6]CH)(C[6]C[6]FH)(CH3)(CCO){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]C)	106.4905	0.021	2	106.4905	0.000	2	106.0980	0.403	10	105.9983	1.473	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[4,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[6]HO)(H)	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CH3)(CCO)	H(C[6]C[4,6]C[6]C)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[6]HO)(H){1|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CH3)(CCO){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]C)	105.9999	0.680	8	105.9999	0.463	8	106.0980	0.403	10	105.9983	1.473	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[5]C[5]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCHH)(CHN)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCHH)(CHN){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[5]C[6]2)	107.4020	0.127	2	107.4020	0.016	2	107.4020	0.016	2	105.9983	1.473	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CCO)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CCO){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	102.7940	2.417	2	102.7940	5.841	2	104.4272	3.747	5	105.9983	1.473	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(CCO)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(CCO){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	105.1320	0.000	1	105.1320	0.000	1	104.4272	3.747	5	105.9983	1.473	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CCO)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CCO){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	105.8420	0.000	1	105.7080	0.036	2	104.4272	3.747	5	105.9983	1.473	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CCO)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CCO){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	105.5740	0.000	1	105.7080	0.036	2	104.4272	3.747	5	105.9983	1.473	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CCHO)(H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CH)(CH3)(CCO)	H(C[6]C[6]2C)	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CH)(CH3)(CCO){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.9000	0.000	1	107.9000	0.000	1	107.9000	0.000	1	105.9983	1.473	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(CH3)(CCO)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(CH3)(CCO){2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]2C)	105.7020	0.000	1	105.7020	0.000	1	105.8335	0.035	2	105.9983	1.473	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CH3)(COO)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CH3)(COO){1|C<2>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	105.9650	0.000	1	105.9650	0.000	1	105.8335	0.035	2	105.9983	1.473	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H){1|H<1>,1|N<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	105.1100	0.000	1	104.9640	0.100	3	105.4440	0.988	4	105.9983	1.473	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2C)	105.1810	0.000	1	104.9640	0.100	3	105.4440	0.988	4	105.9983	1.473	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH){4|C<4>,4|H<1>}	H(C[6]C[6]2C)	104.6010	0.000	1	104.9640	0.100	3	105.4440	0.988	4	105.9983	1.473	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CHO)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CHO){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2C)	106.8840	0.000	1	106.8840	0.000	1	105.4440	0.988	4	105.9983	1.473	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(CH3)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(CH3)(CCO)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(CH3)(CCO){2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.9080	0.000	1	107.9080	0.000	1	106.1094	1.245	17	105.9983	1.473	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(COO)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(COO){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.6480	0.161	2	106.6480	0.026	2	106.1094	1.245	17	105.9983	1.473	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CNO)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CNO){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.5320	1.021	8	106.5320	1.043	8	106.1094	1.245	17	105.9983	1.473	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CCO)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)2(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CCO){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	104.3230	0.000	1	104.9363	0.201	4	106.1094	1.245	17	105.9983	1.473	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CCO)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)2(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CCO){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	105.1407	0.227	3	104.9363	0.201	4	106.1094	1.245	17	105.9983	1.473	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)2(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CHO)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)2(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CHO){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	105.3830	0.000	1	105.3830	0.000	1	106.1094	1.245	17	105.9983	1.473	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)2(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(COO)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)2(CHHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(COO){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	105.2710	0.000	1	105.2710	0.000	1	106.1094	1.245	17	105.9983	1.473	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(NOO)	H(C[6]C[6]2C)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(NOO){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	106.7950	0.000	1	106.7950	0.000	1	106.6700	0.031	2	105.9983	1.473	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]N[6]CC)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(NOO)	H(C[6]C[6]2C)	C[6](C[6]C[6]CN)(C[6]N[6]CC)(CCHH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(NOO){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2C)	106.5450	0.000	1	106.5450	0.000	1	106.6700	0.031	2	105.9983	1.473	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:P-4:C-3:	C[6]-4:	C[6](C[6]C[6]CP)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)2(PO3)(CHN)	H(C[6]C[6]2C)	C[6](C[6]C[6]CP)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(PO3)(CHN){1|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.9250	0.000	1	107.9250	0.000	1	107.9250	0.000	1	105.9983	1.473	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:S-4:C-3:	C[6]-4:	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CBrHS)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)(CCH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CBrHS)(H){1|C<3>,1|S<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)(CCH){1|C<3>,3|H<1>}	H(C[6]C[6]2C)	105.5700	0.000	1	105.5700	0.000	1	105.5700	0.000	1	105.9983	1.473	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6]2N)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(NCH)	H(C[6]C[6]3)	C[6](C[6]C[6]2N)(C[6]C[6]CN)(C[6]C[6]HH)(H){3|C<4>,8|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(NCH){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	H(C[6]C[6]3)	105.9680	0.000	1	105.9680	0.000	1	105.9680	0.000	1	105.9983	1.473	48	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]2C)(CCHH)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]2C)(CCHH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[6]2H)(C[6]C[6]HH)(CH3){2|O<2>,3|C<4>,6|H<1>}	H(C[6]C[3,6]C[6]C)	104.7510	0.000	1	104.7510	0.000	1	104.7510	0.000	1	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[4,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[5]HO)(H)	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CCHO)(CH3)	H(C[6]C[4,6]C[6]C)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[5]HO)(H){1|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CCHO)(CH3){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]C)	104.4620	0.000	1	104.4620	0.000	1	104.4620	0.000	1	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(CCHH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]C)	104.7540	0.000	1	105.1347	0.132	3	105.1535	3.239	8	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(CCHH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	105.3250	0.215	2	105.1347	0.132	3	105.1535	3.239	8	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(CH3)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCHH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[5,6]C[6]C)	107.3845	0.593	2	107.3845	0.352	2	105.1535	3.239	8	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CC)(CCHH)(H){3|C<4>,6|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	103.0290	1.747	2	103.0290	3.050	2	105.1535	3.239	8	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)2	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CC)(CCHH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]C)	104.9970	0.000	1	104.9970	0.000	1	105.1535	3.239	8	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O[6]H)(C[6]C[6]CC)(H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6]HH)(CH3)	H(C[6]C[5,6]C[6]2)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O[6]H)(C[6]C[6]CC)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]2)	106.8100	0.000	1	106.8100	0.000	1	106.6265	0.067	2	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O[6]H)(C[6]C[6]CC)(H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6]HH)(CHHO)	H(C[6]C[5,6]C[6]2)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O[6]H)(C[6]C[6]CC)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6]HH)(CHHO){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]2)	106.4430	0.000	1	106.4430	0.000	1	106.6265	0.067	2	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[5]C[6]2)	106.8533	0.184	6	106.7131	0.166	7	106.7292	0.144	8	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[5]C[6]2)	105.8720	0.000	1	106.7131	0.166	7	106.7292	0.144	8	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CC[6]HO)(CH3)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CC[6]HO)(CH3){2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[5]C[6]2)	106.8420	0.000	1	106.8420	0.000	1	106.7292	0.144	8	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[4]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[4]C[6]C)(CCHH)(H)	C[6](C[4]C[4]O[4]H)(C[6]C[6,6]CH)(C[6]C[6]HO)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[4]C[6]C)(CCHH)(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[4]C[4]O[4]H)(C[6]C[6,6]CH)(C[6]C[6]HO)(CH3){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]C)	104.8160	0.000	1	104.8160	0.000	1	104.8160	0.000	1	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]CC)(CCHH)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6,6]CH)(CH3)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]CC)(CCHH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6,6]CH)(CH3)2{1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]C)	106.3770	0.000	1	106.1405	0.112	2	106.1405	0.112	2	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]CC)(CCHH)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6,6]CH)(CH3)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]CC)(CCHH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6,6]CH)(CH3)2{1|C<3>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]C)	105.9040	0.000	1	106.1405	0.112	2	106.1405	0.112	2	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]C)	105.5640	0.000	1	105.9097	0.150	3	105.6335	2.019	26	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]C)	106.0825	0.347	2	105.9097	0.150	3	105.6335	2.019	26	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(CH3)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(CH3)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]C)	105.5380	0.000	1	105.5380	0.000	1	105.6335	2.019	26	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	104.9937	0.495	3	104.9755	0.165	4	105.6335	2.019	26	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]C)	104.9210	0.000	1	104.9755	0.165	4	105.6335	2.019	26	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	103.7750	0.000	1	104.4445	1.208	4	105.6335	2.019	26	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]C)	105.5010	0.000	1	104.4445	1.208	4	105.6335	2.019	26	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H){1|O<2>,3|C<4>,7|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	103.2550	0.000	1	104.4445	1.208	4	105.6335	2.019	26	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H){2|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	105.2470	0.000	1	104.4445	1.208	4	105.6335	2.019	26	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(CH3){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	105.0313	0.374	3	105.0313	0.140	3	105.6335	2.019	26	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[5]HO)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[5]HO)(CH3){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.1810	0.251	5	107.1810	0.063	5	105.6335	2.019	26	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]HO)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]HO)(CH3){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.5880	0.000	1	107.5880	0.000	1	105.6335	2.019	26	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CFHH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CFHH)(CH3){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	105.9330	1.428	2	105.9330	2.040	2	105.6335	2.019	26	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(CH3){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	106.6780	1.126	2	106.6780	1.267	2	105.6335	2.019	26	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]CC)(CHHO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]3)(C[6]C[6]CC)(CHHO)(H){1|O<2>,2|C<4>,8|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	101.7140	0.000	1	101.7140	0.000	1	105.6335	2.019	26	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CC[6]HH)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CC[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(CH3)2{2|C<4>,2|H<1>}	H(C[6]C[6]2C)	105.9590	0.000	1	105.9590	0.000	1	106.2575	0.178	2	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(CCHH)(CH3){2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.5560	0.000	1	106.5560	0.000	1	106.2575	0.178	2	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(C[6]C[5,6,6]CC)(CCHH)(H)	C[6](C[5,6,6]C[5,5,3x6]C[5,6]C)(C[6]C[6]CH)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[5,3x6]HH)(C[6]C[5,6,6]CC)(CCHH)(H){2|C<4>,3|C<3>}	C[6](C[5,6,6]C[5,5,3x6]C[5,6]C)(C[6]C[6]CH)(CH3)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2C)	107.3750	0.000	1	107.3750	0.000	1	107.3750	0.000	1	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H)	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]CH)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,4|H<1>}	H(C[6]C[6]2C)	105.6815	0.063	2	105.6815	0.004	2	106.2194	1.975	16	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.4405	0.281	2	106.4450	0.039	3	106.2194	1.975	16	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(CH3){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.4540	0.000	1	106.4450	0.039	3	106.2194	1.975	16	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHO)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHO)(CH3){1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2C)	106.2553	1.789	10	106.2553	3.200	10	106.2194	1.975	16	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2C)	106.2600	0.000	1	106.2600	0.000	1	106.2194	1.975	16	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(CH3){6|C<4>,6|H<1>}	H(C[6]C[6]2C)	105.4200	2.287	3	105.4200	5.229	3	105.8012	4.067	4	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5]O[5]2H)(C[6]C[6]CH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5]O[5]2H)(C[6]C[6]CH)(CH3){1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6]2C)	106.9450	0.000	1	106.9450	0.000	1	105.8012	4.067	4	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]CC)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]CC)(CCHH)(H){2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6]2C)	105.5980	1.064	3	105.5980	1.133	3	106.0630	1.828	70	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]CC)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]CC)(CCHH)(H){1|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6]2C)	106.8417	0.376	3	106.8417	0.142	3	106.0630	1.828	70	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]CC)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]CC)(CCHH)(H){1|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6]2C)	104.0860	0.000	1	104.0860	0.000	1	106.0630	1.828	70	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){1|C<4>,4|C<3>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	106.9593	0.164	3	106.9593	0.027	3	106.0630	1.828	70	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	107.3590	0.000	1	107.3590	0.000	1	106.0630	1.828	70	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){1|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	107.3350	0.000	2	106.4463	2.369	3	106.0630	1.828	70	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6]2C)	104.6690	0.000	1	106.4463	2.369	3	106.0630	1.828	70	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	106.4440	0.241	3	105.7887	1.990	7	106.0630	1.828	70	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	104.5165	0.059	2	105.7887	1.990	7	106.0630	1.828	70	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6]2C)	106.0780	2.670	2	105.7887	1.990	7	106.0630	1.828	70	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	107.0940	0.000	1	106.8625	0.107	2	106.0630	1.828	70	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6]2C)	106.6310	0.000	1	106.8625	0.107	2	106.0630	1.828	70	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]I)(C[6]C[6]CH)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){1|C<4>,1|I<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]I)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	107.2950	0.000	1	107.2950	0.000	1	106.0630	1.828	70	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CC[5]HH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CC[5]HH)(H){1|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2{2|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6]2C)	104.6453	0.599	3	104.6453	0.359	3	106.0630	1.828	70	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,5|H<1>}	H(C[6]C[6]2C)	106.3160	0.000	1	106.3160	0.000	1	106.0630	1.828	70	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	104.9440	0.000	1	104.9440	0.000	1	106.0630	1.828	70	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){4|C<4>,4|H<1>}	H(C[6]C[6]2C)	105.5975	0.517	2	105.5975	0.267	2	106.0630	1.828	70	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2C)	105.2150	0.000	1	105.2150	0.000	1	106.0630	1.828	70	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,5|H<1>}	H(C[6]C[6]2C)	106.9390	0.000	1	106.9390	0.000	1	106.0630	1.828	70	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHO)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	105.5990	0.000	1	105.4735	0.032	2	106.0630	1.828	70	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHO)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2{4|C<4>,4|H<1>}	H(C[6]C[6]2C)	105.3480	0.000	1	105.4735	0.032	2	106.0630	1.828	70	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	104.1600	0.704	2	104.1600	0.496	2	106.0630	1.828	70	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHHO)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	104.0670	2.941	3	104.0670	8.650	3	106.0630	1.828	70	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.2640	0.000	1	106.1853	0.503	3	106.0630	1.828	70	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.1460	0.998	2	106.1853	0.503	3	106.0630	1.828	70	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.5910	0.597	2	106.7691	0.502	14	106.0630	1.828	70	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.0850	0.000	1	106.7691	0.502	14	106.0630	1.828	70	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.6610	0.836	5	106.7691	0.502	14	106.0630	1.828	70	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.7330	0.000	1	106.7691	0.502	14	106.0630	1.828	70	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){4|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.4924	0.608	5	106.7691	0.502	14	106.0630	1.828	70	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2C)	107.0170	0.000	1	106.9347	0.013	3	106.0630	1.828	70	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.8935	0.122	2	106.9347	0.013	3	106.0630	1.828	70	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6]HH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	105.9760	1.700	3	105.9760	2.890	3	106.0630	1.828	70	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]HH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	105.7997	2.028	6	105.7997	4.111	6	106.0630	1.828	70	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2C)	107.0200	0.000	1	107.0200	0.000	1	106.0630	1.828	70	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H)(C[6]C[6]CH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H)(C[6]C[6]CH)(CH3){2|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6]2C)	107.0138	0.141	4	107.0350	0.013	6	107.0350	0.013	6	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H)(C[6]C[6]CH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H)(C[6]C[6]CH)(CH3){3|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6]2C)	107.0775	0.028	2	107.0350	0.013	6	107.0350	0.013	6	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6]CH)2(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6]CH)2(CCHH)(CH3){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	105.1310	0.000	1	105.1310	0.000	1	106.2542	2.941	36	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.4240	0.000	1	107.4240	0.000	1	106.2542	2.941	36	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H){1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	104.9450	0.000	1	104.9450	0.000	1	106.2542	2.941	36	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H)	C[6](C[6]C[6]CH)2(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(CCHH)(CH3){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	104.2170	0.000	1	104.2170	0.000	1	106.2542	2.941	36	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H)	C[6](C[6]C[6]CH)2(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(CH3)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	105.1040	0.000	1	105.1040	0.000	1	106.2542	2.941	36	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC[6,6]HH)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC[6,6]HH)(H){1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	105.9160	0.000	1	105.9160	0.000	1	106.2542	2.941	36	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC[6]HH)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC[6]HH)(H){1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	105.5790	0.000	1	105.5790	0.000	1	106.2542	2.941	36	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC[6a]HH)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC[6a]HH)(H){1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	105.5980	0.000	1	105.5980	0.000	1	106.2542	2.941	36	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H){1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.0025	0.725	2	106.0025	0.525	2	106.2542	2.941	36	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HI)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H){1|C<4>,1|I<1>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HI)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	104.8380	0.000	1	104.8380	0.000	1	106.2542	2.941	36	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.4690	0.000	1	108.4690	0.000	1	106.2542	2.941	36	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6]C[6]CH)2(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCCO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(CCHH)(CH3){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	105.6130	0.000	1	105.6130	0.000	1	106.2542	2.941	36	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(CH3){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	107.5470	0.000	1	107.5470	0.000	1	106.2542	2.941	36	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHO)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHO)(CH3){1|C<3>,4|H<1>}	H(C[6]C[6]2C)	106.1940	0.000	1	106.1940	0.000	1	106.2542	2.941	36	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)2(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(CCHH)(CH3){1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2C)	107.9420	0.000	1	107.9420	0.000	1	106.2542	2.941	36	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)2(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(CH3)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	104.4230	0.000	1	104.4230	0.000	1	106.2542	2.941	36	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CFeHH)(H)	C[6](C[6]C[6]FeH)(C[6]C[6]CH)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CFeHH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]FeH)(C[6]C[6]CH)(CH3)2{2|C<4>,2|H<1>}	H(C[6]C[6]2C)	110.7380	0.310	3	110.7380	0.096	3	106.2542	2.941	36	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CC[5a]HH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CC[5a]HH)(CH3){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.9805	0.293	2	106.9805	0.086	2	106.2542	2.941	36	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.0930	0.000	1	106.0930	0.000	1	106.2542	2.941	36	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)2(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(CCHH)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.5768	0.512	4	106.5768	0.262	4	106.2542	2.941	36	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(CH3){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	104.9690	0.000	1	104.9690	0.000	1	106.2542	2.941	36	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6]2C)	104.8810	0.000	1	104.8810	0.000	1	106.2542	2.941	36	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)2(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	104.3930	0.000	1	104.3930	0.000	1	106.2542	2.941	36	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)2(CCHH)(H)	C[6](C[6]C[6]CH)2(CCHH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)2(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(CCHH)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	105.1942	0.133	4	105.1942	0.018	4	106.2542	2.941	36	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)2(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)2(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	105.4220	0.000	1	105.4220	0.000	1	106.2542	2.941	36	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)2(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)2(CHHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	105.1900	0.000	1	105.1900	0.000	1	106.2542	2.941	36	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|N<3>,5|C<4>,5|H<1>}	H(C[6]C[6]2C)	105.1120	0.000	1	105.1120	0.000	1	105.1120	0.000	1	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]3)	C[6](C[6]C[5,6]HO)(C[6]C[6]2C)(C[6]C[6]HH)(H){5|C<4>,6|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[6]2H)(C[6]C[6]HH)(CH3){2|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6]3)	106.4760	0.000	1	106.4760	0.000	1	106.1130	0.264	2	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]2H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]3)	C[6](C[6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]3)	105.7500	0.000	1	105.7500	0.000	1	106.1130	0.264	2	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]N[6]C)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]HH)(CH3)	H(C[6]C[6]3)	C[6](C[6]C[6]N[6]C)(C[6]C[6]HH)2(H){1|O<1>,3|C<4>,6|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]HH)(CH3){1|C<3>,2|C<4>,8|H<1>}	H(C[6]C[6]3)	105.4920	0.000	1	105.4920	0.000	1	105.4920	0.000	1	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:Si-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(SiC[6a]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SiH)(CH3)2	H(C[6]C[6]2Si)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(SiC[6a]CC)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SiH)(CH3)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2Si)	107.0910	0.000	1	107.0910	0.000	1	107.0910	0.000	1	106.0603	2.016	189	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:5:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-5:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[5]Fe2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[5]Fe2C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	107.7010	0.008	2	107.7010	0.000	2	106.3977	3.002	101	106.5306	2.949	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:5:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-5:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2DyO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2DyO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.8506	1.160	32	106.8506	1.346	32	106.3977	3.002	101	106.5306	2.949	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:5:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-5:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2GdO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2GdO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	105.8067	1.280	23	105.8067	1.639	23	106.3977	3.002	101	106.5306	2.949	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:5:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-5:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2LaO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2LaO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.2144	2.273	18	106.2144	5.165	18	106.3977	3.002	101	106.5306	2.949	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:5:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-5:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2NU)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2NU)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.5906	0.540	10	106.5906	0.292	10	106.3977	3.002	101	106.5306	2.949	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:5:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:P-5:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2PrO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2PrO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.2641	2.741	16	106.2641	7.513	16	106.3977	3.002	101	106.5306	2.949	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:5:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Si-5:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(SiHfHHN)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2Si)	C[6](C[6]C[6]HH)2(SiHfHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2Si)	108.7965	0.615	4	108.7965	0.379	4	107.7514	0.896	11	106.5306	2.949	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:5:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Si-5:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(SiTiO3)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2Si)	C[6](C[6]C[6]HH)2(SiTiO3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2Si)	107.1541	0.399	7	107.1541	0.159	7	107.7514	0.896	11	106.5306	2.949	112	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:6:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Si-6:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(SiHf2HNN)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2Si)	C[6](C[6]C[6]HH)2(SiHf2HNN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2Si)	107.8200	0.021	2	107.8200	0.000	2	107.8200	0.000	2	107.8200	0.000	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	5:4:1:1:	3:4:1:1:	4:	C[6]-5:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]ZrHH)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]ZrHH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Zr<11>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6195	1.394	2	109.6195	1.942	2	109.6195	1.942	2	109.6195	1.942	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	5:4:1:1:	3:4:4:1:	4:	Nb[6,6]-5:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](Nb[6,6]N[6,6]N[6]NO)(C[6]C[6,6a]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]Nb[6,6]HH)(CH3)(H)	H(C[6]Nb[6,6]C[6]H)	C[6](Nb[6,6]N[6,6]N[6]NO)(C[6]C[6,6a]CH)(H)2{5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]Nb[6,6]HH)(CH3)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|N<3>}	H(C[6]Nb[6,6]C[6]H)	106.9728	0.073	4	106.9728	0.005	4	106.9728	0.005	4	106.9728	0.005	4	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	5:4:1:1:	4:4:1:1:	4:	B[6]-5:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[6]C[6]ZrHH)(C[6]C[6]HH)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2	H(C[6]B[6]C[6]H)	C[6](B[6]C[6]ZrHH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2{1|Zr<14>,1|C<4>,2|H<1>,2|H<2>}	H(C[6]B[6]C[6]H)	109.7128	0.127	11	109.7128	0.016	11	109.7128	0.016	11	109.0960	0.226	157	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	5:4:1:1:	4:4:1:1:	4:	C[3,3,3x5,11x6]-5:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,3,3x5,11x6]B[3x3,3x5,8x6]B[3x3,3x5,9x6]B[5x3,5,5,8x6]B[5,5,6x6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,3,3x5,11x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3,3,3x5,11x6]C[6]H)	C[6](C[3,3,3x5,11x6]B[3x3,3x5,8x6]B[3x3,3x5,9x6]B[5x3,5,5,8x6]B[5,5,6x6])(C[6]C[6]HH)(H)2{1|C<4>,2|B<6>,3|B<5>,5|H<1>}	C[6](C[6]C[3,3,3x5,11x6]HH)(C[6]C[6]HH)(H)2{1|B<3>,1|B<4>,1|B<6>,1|H<1>,2|B<5>}	H(C[6]C[3,3,3x5,11x6]C[6]H)	109.3410	0.072	2	109.3410	0.005	2	109.3410	0.005	2	109.0960	0.226	157	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	5:4:1:1:	4:4:1:1:	4:	C[3,3,4,3x5,14x6]-5:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,3,4,3x5,14x6]B[3x3,4,5,5,8x6]B[3x3,3x5,12x6]B[3,4,5,5,9x6]B[5x3,3x5,8x6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,3,4,3x5,14x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3,3,4,3x5,14x6]C[6]H)	C[6](C[3,3,4,3x5,14x6]B[3x3,4,5,5,8x6]B[3x3,3x5,12x6]B[3,4,5,5,9x6]B[5x3,3x5,8x6])(C[6]C[6]HH)(H)2{1|C<4>,2|B<5>,3|B<6>,5|H<1>}	C[6](C[6]C[3,3,4,3x5,14x6]HH)(C[6]C[6]HH)(H)2{1|B<6>,1|H<1>,2|B<4>,2|B<5>}	H(C[6]C[3,3,4,3x5,14x6]C[6]H)	109.0955	0.036	2	109.0955	0.001	2	109.0955	0.001	2	109.0960	0.226	157	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	5:4:1:1:	4:4:1:1:	4:	C[3,3,4,5,10x6]-5:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3,3,4,5,10x6]B[4x3,4,3x5,13x6]C[3x3,5,5,12x6]B[5x3,5,5,8x6]B[3,4,4x6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,3,4,5,10x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3,3,4,5,10x6]C[6]H)	C[6](C[3,3,4,5,10x6]B[4x3,4,3x5,13x6]C[3x3,5,5,12x6]B[5x3,5,5,8x6]B[3,4,4x6])(C[6]C[6]HH)(H)2{1|C<4>,2|B<5>,4|B<6>,5|H<1>}	C[6](C[6]C[3,3,4,5,10x6]HH)(C[6]C[6]HH)(H)2{1|B<4>,1|C<5>,2|B<6>,2|H<1>}	H(C[6]C[3,3,4,5,10x6]C[6]H)	109.2040	0.034	2	109.2040	0.001	2	109.2040	0.001	2	109.0960	0.226	157	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	5:4:1:1:	4:4:1:1:	4:	C[3x3,3x5,13x6]-5:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x3,3x5,13x6]B[4x3,3x5,12x6]B[4x3,3x5,13x6]B[5x3,3x5,11x6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x3,3x5,13x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3x3,3x5,13x6]C[6]H)	C[6](C[3x3,3x5,13x6]B[4x3,3x5,12x6]B[4x3,3x5,13x6]B[5x3,3x5,11x6]2)(C[6]C[6]HH)(H)2{1|C<4>,2|H<2>,5|B<6>,5|H<1>}	C[6](C[6]C[3x3,3x5,13x6]HH)(C[6]C[6]HH)(H)2{1|B<3>,1|H<1>,4|B<6>}	H(C[6]C[3x3,3x5,13x6]C[6]H)	108.9290	0.004	2	108.9290	0.000	2	108.9290	0.000	2	109.0960	0.226	157	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	5:4:1:1:	4:4:1:1:	4:	C[3x3,3x5,14x6]-5:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x3,3x5,14x6]B[3x3,3x5,13x6]B[3x3,4x5,15x6]B[5x3,3x5,11x6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x3,3x5,14x6]HH)(C[6]C[5,3x6]HH)(H)2	H(C[6]C[3x3,3x5,14x6]C[6]H)	C[6](C[3x3,3x5,14x6]B[3x3,3x5,13x6]B[3x3,4x5,15x6]B[5x3,3x5,11x6]2)(C[6]C[6]HH)(H)2{1|B<5>,1|C<4>,4|B<6>,6|H<1>}	C[6](C[6]C[3x3,3x5,14x6]HH)(C[6]C[5,3x6]HH)(H)2{1|B<3>,1|B<5>,1|H<1>,3|B<6>}	H(C[6]C[3x3,3x5,14x6]C[6]H)	109.9530	0.071	2	109.9530	0.005	2	109.9530	0.005	2	109.0960	0.226	157	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	5:4:1:1:	4:4:1:1:	4:	C[3x3,4x5,14x6]-5:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x3,4x5,14x6]B[4x3,5x5,19x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]C[3x3,4x5,13x6])(C[6]N[6]HH)(H)2	C[6](C[6]C[3x3,4x5,14x6]HH)(N[6]Ga[3,3,5,5,7x6]CC)(H)2	H(C[6]C[3x3,4x5,14x6]C[6]H)	C[6](C[3x3,4x5,14x6]B[4x3,5x5,19x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]C[3x3,4x5,13x6])(C[6]N[6]HH)(H)2{1|Ga<5>,2|C<4>,4|H<1>,5|B<6>}	C[6](C[6]C[3x3,4x5,14x6]HH)(N[6]Ga[3,3,5,5,7x6]CC)(H)2{1|C<4>,1|C<5>,5|B<6>}	H(C[6]C[3x3,4x5,14x6]C[6]H)	109.3160	0.018	2	109.3160	0.000	2	109.3160	0.000	2	109.0960	0.226	157	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	5:4:1:1:	4:4:1:1:	4:	C[3x3,5,5,12x6]-5:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x3,5,5,12x6]B[3x3,5,5,13x6]B[5x3,3x5,5x6]B[5x3,5,5,8x6]C[3x3,5,9x6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3x3,5,5,12x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3x3,5,5,12x6]C[6]H)	C[6](C[3x3,5,5,12x6]B[3x3,5,5,13x6]B[5x3,3x5,5x6]B[5x3,5,5,8x6]C[3x3,5,9x6])(C[6]C[6]HH)(H)2{1|B<5>,1|B<7>,1|C<4>,3|B<6>,5|H<1>}	C[6](C[6]C[3x3,5,5,12x6]HH)(C[6]C[6]HH)(H)2{1|B<5>,1|C<5>,2|B<6>,2|H<1>}	H(C[6]C[3x3,5,5,12x6]C[6]H)	108.6860	0.041	2	108.6860	0.002	2	108.6480	0.003	4	109.0960	0.226	157	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	5:4:1:1:	4:4:1:1:	4:	C[3x3,5,5,12x6]-5:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x3,5,5,12x6]B[3x3,5,5,13x6]C[3,3,4,5,10x6]B[5x3,3x5,5x6]B[5x3,5,5,8x6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3x3,5,5,12x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3x3,5,5,12x6]C[6]H)	C[6](C[3x3,5,5,12x6]B[3x3,5,5,13x6]C[3,3,4,5,10x6]B[5x3,3x5,5x6]B[5x3,5,5,8x6])(C[6]C[6]HH)(H)2{1|B<4>,1|C<4>,4|B<6>,5|H<1>}	C[6](C[6]C[3x3,5,5,12x6]HH)(C[6]C[6]HH)(H)2{1|B<5>,1|C<5>,2|B<6>,2|H<1>}	H(C[6]C[3x3,5,5,12x6]C[6]H)	108.6100	0.023	2	108.6100	0.001	2	108.6480	0.003	4	109.0960	0.226	157	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	5:4:1:1:	4:4:1:1:	4:	C[3x3,5,9x6]-5:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x3,5,9x6]B[6x3,4x5,13x6]C[3x3,5,5,12x6]B[5x3,5,5,8x6]B[3x3,5,4x6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3x3,5,9x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[3x3,5,9x6]C[6]H)	C[6](C[3x3,5,9x6]B[6x3,4x5,13x6]C[3x3,5,5,12x6]B[5x3,5,5,8x6]B[3x3,5,4x6])(C[6]C[6]HH)(H)2{1|C<4>,2|B<5>,4|B<6>,5|H<1>}	C[6](C[6]C[3x3,5,9x6]HH)(C[6]C[6]HH)(H)2{1|B<5>,1|B<6>,1|B<7>,1|C<5>,2|H<1>}	H(C[6]C[3x3,5,9x6]C[6]H)	109.0775	0.009	2	109.0775	0.000	2	109.0775	0.000	2	109.0960	0.226	157	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	5:4:1:1:	4:4:1:1:	4:	C[6,6]-5:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]EuH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]EuH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<2>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|Eu<12>,1|B<5>,1|H<1>,1|H<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.5590	0.010	2	108.5590	0.000	2	108.4534	0.034	32	109.0960	0.226	157	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	5:4:1:1:	4:4:1:1:	4:	C[6,6]-5:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]RaH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]RaH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<2>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|Ra<20>,1|B<5>,1|H<1>,1|H<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.3915	0.194	8	108.3915	0.038	8	108.4534	0.034	32	109.0960	0.226	157	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	5:4:1:1:	4:4:1:1:	4:	C[6,6]-5:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]TiH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]TiH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<2>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|Ti<12>,1|B<5>,1|H<1>,1|H<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.4463	0.125	11	108.4469	0.038	19	108.4534	0.034	32	109.0960	0.226	157	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	5:4:1:1:	4:4:1:1:	4:	C[6,6]-5:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]TiH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]TiH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<2>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|Ti<13>,1|B<5>,1|H<1>,1|H<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.4479	0.272	8	108.4469	0.038	19	108.4534	0.034	32	109.0960	0.226	157	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	5:4:1:1:	4:4:1:1:	4:	C[6,6]-5:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]ZrH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]ZrH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<2>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H)2{1|Zr<14>,1|B<5>,1|H<1>,1|H<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.5887	0.072	3	108.5887	0.005	3	108.4534	0.034	32	109.0960	0.226	157	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	5:4:1:1:	4:4:1:1:	4:	C[6]-5:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]COU)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]COU)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|U<17>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8530	0.193	4	108.8530	0.037	4	109.2323	0.128	96	109.0960	0.226	157	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	5:4:1:1:	4:4:1:1:	4:	C[6]-5:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CeHN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CeHN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Ce<16>,1|C<4>,1|H<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.1707	0.229	12	109.1717	0.037	23	109.2323	0.128	96	109.0960	0.226	157	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	5:4:1:1:	4:4:1:1:	4:	C[6]-5:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CeHN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]CeHN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Ce<16>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.1726	0.157	11	109.1717	0.037	23	109.2323	0.128	96	109.0960	0.226	157	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	5:4:1:1:	4:4:1:1:	4:	C[6]-5:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HHU)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HHU)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|U<17>,1|C<5>,1|H<2>,3|H<1>}	H(C[6]C[6]2H)	109.7460	0.006	2	109.7460	0.000	2	109.2323	0.128	96	109.0960	0.226	157	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	5:4:1:1:	4:4:1:1:	4:	C[6]-5:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HNU)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HNU)(C[6]C[6]HH)(H)2{1|C<4>,1|H<2>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|U<17>,1|C<5>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	110.0635	0.015	2	110.0635	0.000	2	109.2323	0.128	96	109.0960	0.226	157	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	5:4:1:1:	4:4:1:1:	4:	C[6]-5:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]Li2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]Li2C)(C[6]C[6]HH)(H)2{1|C<4>,1|C<5>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{2|Li<5>,2|C<5>,2|H<1>}	H(C[6]C[6]2H)	108.7505	0.176	15	108.7505	0.031	15	109.2323	0.128	96	109.0960	0.226	157	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	5:4:1:1:	4:4:1:1:	4:	C[6]-5:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]NiCO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]NiCO)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Ni<5>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.4790	0.014	2	109.4790	0.000	2	109.2323	0.128	96	109.0960	0.226	157	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	5:4:1:1:	4:4:1:1:	4:	C[6]-5:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]TaHN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]TaHN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Ta<12>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.6000	0.051	2	109.6000	0.003	2	109.2323	0.128	96	109.0960	0.226	157	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	5:4:1:1:	4:4:1:1:	4:	C[6]-5:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]TiCO)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]TiCO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Ti<11>,1|C<4>,1|C<5>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.9465	0.075	4	108.9465	0.006	4	109.2323	0.128	96	109.0960	0.226	157	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	5:4:1:1:	4:4:1:1:	4:	C[6]-5:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]TiHN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]TiHN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Ti<10>,1|C<4>,1|H<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.7652	0.027	4	109.6305	0.027	8	109.2323	0.128	96	109.0960	0.226	157	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	5:4:1:1:	4:4:1:1:	4:	C[6]-5:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]TiHN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]TiHN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Ti<13>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4958	0.116	4	109.6305	0.027	8	109.2323	0.128	96	109.0960	0.226	157	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	5:4:1:1:	4:4:1:1:	4:	C[6]-5:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ZrHN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]ZrHN)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Zr<12>,1|C<5>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4966	0.145	7	109.2906	0.078	15	109.2323	0.128	96	109.0960	0.226	157	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	5:4:1:1:	4:4:1:1:	4:	C[6]-5:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ZrHN)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]C[6]ZrHN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|Zr<13>,1|C<4>,1|H<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.1104	0.242	8	109.2906	0.078	15	109.2323	0.128	96	109.0960	0.226	157	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	5:4:1:1:	4:4:1:1:	4:	C[6]-5:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HHU)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HHU)(C[6]C[6]HH)(H)2{1|C<5>,2|H<1>}	C[6](C[6]C[6]HH)2(H)2{1|U<18>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.4062	0.219	19	109.4062	0.048	19	109.2323	0.128	96	109.0960	0.226	157	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	5:4:4:1:	4:4:1:1:	4:	B[3x3,3x5,12x6]-5:C[6]-4:B-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[3x3,3x5,12x6]C[3,3,4,3x5,14x6]B[3x3,3x5,9x6]B[5x3,3x5,8x6]2)(C[6]C[6]HH)(BN[6]2H)(H)	C[6](C[6]B[3x3,3x5,12x6]BH)(C[6]C[6]HH)(H)2	H(C[6]B[3x3,3x5,12x6]C[6]B)	C[6](B[3x3,3x5,12x6]C[3,3,4,3x5,14x6]B[3x3,3x5,9x6]B[5x3,3x5,8x6]2)(C[6]C[6]HH)(BN[6]2H)(H){1|B<4>,1|C<4>,2|B<5>,2|B<6>,5|H<1>}	C[6](C[6]B[3x3,3x5,12x6]BH)(C[6]C[6]HH)(H)2{1|B<5>,1|C<5>,2|B<6>,2|H<1>}	H(C[6]B[3x3,3x5,12x6]C[6]B)	107.4650	0.000	1	107.4650	0.000	1	107.4650	0.000	1	106.1205	1.195	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	5:4:4:1:	4:4:1:1:	4:	B[3x3,3x5,9x6]-5:C[6]-4:B-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[3x3,3x5,9x6]C[3,3,3x5,11x6]B[3x3,3x5,8x6]B[5x3,3x5,5x6]B[5x3,5,5,8x6])(C[6]C[6]HH)(BN[6]2H)(H)	C[6](C[6]B[3x3,3x5,9x6]BH)(C[6]C[6]HH)(H)2	H(C[6]B[3x3,3x5,9x6]C[6]B)	C[6](B[3x3,3x5,9x6]C[3,3,3x5,11x6]B[3x3,3x5,8x6]B[5x3,3x5,5x6]B[5x3,5,5,8x6])(C[6]C[6]HH)(BN[6]2H)(H){1|B<3>,1|C<4>,2|B<5>,2|B<6>,5|H<1>}	C[6](C[6]B[3x3,3x5,9x6]BH)(C[6]C[6]HH)(H)2{1|B<5>,1|C<5>,2|B<6>,2|H<1>}	H(C[6]B[3x3,3x5,9x6]C[6]B)	108.1960	0.000	1	108.1960	0.000	1	108.1960	0.000	1	106.1205	1.195	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	5:4:4:1:	4:4:1:1:	4:	C[6]-5:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CoHH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CoH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2C)	C[6](C[6]C[6]CoHH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CoH)(C[6]C[6]CH)(H)2{1|H<1>,1|H<2>,2|C<4>}	H(C[6]C[6]2C)	107.7360	0.000	1	107.7360	0.000	1	107.7360	0.000	1	106.1205	1.195	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	5:4:4:1:	4:4:1:1:	4:	P-5:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[5]C[6]RhZr)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[5]C[6]RhZr)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	104.9812	0.340	13	104.9812	0.115	13	105.5748	0.937	21	106.1205	1.195	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	5:4:4:1:	4:4:1:1:	4:	P-5:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](PC[5]C[6]Ru2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2P)	C[6](PC[5]C[6]Ru2)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.5394	0.872	8	106.5394	0.761	8	105.5748	0.937	21	106.1205	1.195	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	5:4:4:1:	4:4:1:1:	4:	P[5]-5:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[5]C[5,6a]2C[6]F)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2P[5])	C[6](P[5]C[5,6a]2C[6]F)(C[6]C[6]HH)2(H){3|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|F<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2P[5])	106.5962	0.042	4	106.5962	0.002	4	106.5962	0.002	4	106.1205	1.195	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	5:4:4:1:	4:4:1:1:	4:	Si-5:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](SiN[5]LiCO)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2Si)	C[6](SiN[5]LiCO)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2Si)	106.7348	0.625	4	106.7348	0.390	4	106.7348	0.390	4	106.1205	1.195	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	5:4:4:1:	4:4:1:1:	4:	Si[5,5]-5:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](Si[5,5]N[5]2O[5]2)(C[6]C[6]HH)2(H)	C[6](C[6]Si[5,5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]Si[5,5]C[6]2)	C[6](Si[5,5]N[5]2O[5]2)(C[6]C[6]HH)2(H){2|C<3>,2|N<2>,4|C<4>,4|H<1>}	C[6](C[6]Si[5,5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|N<4>,2|O<2>,4|H<1>}	H(C[6]Si[5,5]C[6]2)	107.1525	0.040	2	107.1525	0.002	2	107.1525	0.002	2	106.1205	1.195	34	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	6:4:1:1:	4:3:1:1:	4:	C[5x3,5x5,21x6]-6:C[6]-4:H-1:H-1:	C[6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6,6a]HH)(H)2	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[5x3,5x5,21x6]C[6]H)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6,6a]HH)(H)2{2|C<3>,4|H<1>,5|B<6>}	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<6>,1|H<1>,2|C<3>,4|B<6>}	H(C[6]C[5x3,5x5,21x6]C[6]H)	108.9605	0.012	2	108.9605	0.000	2	108.9605	0.000	2	108.9605	0.000	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	6:4:1:1:	4:3:3:1:	4:	C[5x3,5x5,21x6]-6:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]CH)(H)2	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]C)(COO)(H)	H(C[6]C[5x3,5x5,21x6]C[6]H)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,4|H<1>,5|B<6>}	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]C)(COO)(H){1|C<4>,1|C<6>,4|B<6>}	H(C[6]C[5x3,5x5,21x6]C[6]H)	108.8445	0.060	4	108.8445	0.004	4	108.8445	0.004	4	108.7862	0.010	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	6:4:1:1:	4:3:3:1:	4:	C[5x3,5x5,21x6]-6:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6a]C[6a]N[6a])(C[6]C[6]C)(H)	H(C[6]C[5x3,5x5,21x6]C[6]H)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>,5|B<6>}	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6a]C[6a]N[6a])(C[6]C[6]C)(H){1|C<6>,1|H<1>,3|C<3>,4|B<6>}	H(C[6]C[5x3,5x5,21x6]C[6]H)	108.6695	0.016	2	108.6695	0.000	2	108.6695	0.000	2	108.7862	0.010	6	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	6:4:1:1:	4:4:1:1:	4:	C[5x3,5x5,21x6]-6:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4B[5x3,5x5,21x6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5x3,5x5,21x6]C[6]H)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4B[5x3,5x5,21x6])(C[6]C[6]HH)(H)2{1|C<4>,5|B<6>,6|H<1>}	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,5|B<6>}	H(C[6]C[5x3,5x5,21x6]C[6]H)	108.7595	0.046	2	108.7605	0.004	8	108.6489	0.032	14	108.6489	0.032	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	6:4:1:1:	4:4:1:1:	4:	C[5x3,5x5,21x6]-6:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4B[5x3,5x5,21x6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5x3,5x5,21x6]C[6]H)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4B[5x3,5x5,21x6])(C[6]C[6]HH)(H)2{1|C<4>,5|B<6>,6|H<1>}	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<4>,5|B<6>}	H(C[6]C[5x3,5x5,21x6]C[6]H)	108.7150	0.017	4	108.7605	0.004	8	108.6489	0.032	14	108.6489	0.032	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	6:4:1:1:	4:4:1:1:	4:	C[5x3,5x5,21x6]-6:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4B[5x3,5x5,21x6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5x3,5x5,21x6]C[6]H)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4B[5x3,5x5,21x6])(C[6]C[6]HH)(H)2{1|C<4>,5|B<6>,6|H<1>}	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,5|B<6>}	H(C[6]C[5x3,5x5,21x6]C[6]H)	108.8525	0.005	2	108.7605	0.004	8	108.6489	0.032	14	108.6489	0.032	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	6:4:1:1:	4:4:1:1:	4:	C[5x3,5x5,21x6]-6:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4B[5x3,5x5,21x6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[5x3,5x5,21x6]C[6]H)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4B[5x3,5x5,21x6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,5|B<6>,5|H<1>}	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HO)(H)2{2|H<1>,5|B<6>}	H(C[6]C[5x3,5x5,21x6]C[6]H)	108.6895	0.037	2	108.6895	0.001	2	108.6489	0.032	14	108.6489	0.032	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	6:4:1:1:	4:4:1:1:	4:	C[5x3,5x5,21x6]-6:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5x3,5x5,21x6]C[6]H)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HH)(H)2{1|C<4>,5|B<6>,6|H<1>}	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HH)(H)2{1|C<6>,2|H<1>,4|B<6>}	H(C[6]C[5x3,5x5,21x6]C[6]H)	108.4055	0.121	4	108.4055	0.015	4	108.6489	0.032	14	108.6489	0.032	14	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	6:4:1:1:	4:4:2:1:	4:	B[5x3,5x5,21x6]-6:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HO)(H)2	C[6](C[6]B[5x3,5x5,21x6]HH)(C[6]C[6]HH)(OC)(H)	H(C[6]B[5x3,5x5,21x6]C[6]H)	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HO)(H)2{1|C<4>,5|B<6>,6|H<1>}	C[6](C[6]B[5x3,5x5,21x6]HH)(C[6]C[6]HH)(OC)(H){1|C<6>,2|H<1>,4|B<6>}	H(C[6]B[5x3,5x5,21x6]C[6]H)	109.0300	0.041	2	109.0300	0.002	2	109.0300	0.002	2	109.0300	0.002	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	6:4:2:1:	4:4:1:1:	4:	B[5x3,5x5,21x6]-6:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]B[5x3,5x5,21x6]HO)(C[6]C[6]HH)(H)2	H(C[6]B[5x3,5x5,21x6]C[6]O)	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HH)(OC)(H){1|C<4>,5|B<6>,6|H<1>}	C[6](C[6]B[5x3,5x5,21x6]HO)(C[6]C[6]HH)(H)2{1|C<6>,2|H<1>,4|B<6>}	H(C[6]B[5x3,5x5,21x6]C[6]O)	108.2930	0.000	1	108.2930	0.000	1	108.2930	0.000	1	108.2930	0.000	1	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	6:4:3:1:	4:4:1:1:	4:	B[4x3,3x5,13x6]-6:C[6]-4:B-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[4x3,3x5,13x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6]H[3])(C[6]C[6]HH)(BOO)(H)	C[6](C[6]B[4x3,3x5,13x6]BH)(C[6]C[6]HH)(H)2	H(C[6]B[4x3,3x5,13x6]C[6]B)	C[6](B[4x3,3x5,13x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6]H[3])(C[6]C[6]HH)(BOO)(H){1|C<4>,5|B<6>,5|H<1>}	C[6](C[6]B[4x3,3x5,13x6]BH)(C[6]C[6]HH)(H)2{1|C<5>,1|H<2>,2|H<1>,3|B<6>}	H(C[6]B[4x3,3x5,13x6]C[6]B)	107.2340	0.000	1	107.2340	0.000	1	107.2340	0.000	1	107.1105	0.031	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	6:4:3:1:	4:4:1:1:	4:	B[5x3,5x5,21x6]-6:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HH)(N[6]C[6]2)(H)	C[6](C[6]B[5x3,5x5,21x6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]B[5x3,5x5,21x6]C[6]N[6])	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HH)(N[6]C[6]2)(H){1|C<4>,2|C<3>,5|B<6>,8|H<1>}	C[6](C[6]B[5x3,5x5,21x6]N[6]H)(C[6]C[6]HH)(H)2{1|C<6>,2|C<3>,2|H<1>,4|B<6>}	H(C[6]B[5x3,5x5,21x6]C[6]N[6])	106.9870	0.000	1	106.9870	0.000	1	106.9870	0.000	1	107.1105	0.031	2	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	6:4:4:1:	4:4:1:1:	4:	B[4x3,5,4x6]-6:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]2)(C[6]C[6]HH)2(H)	C[6](C[6]B[4x3,5,4x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]B[4x3,5,4x6]C[6]2)	C[6](B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]2)(C[6]C[6]HH)2(H){1|C<4>,4|B<6>,7|H<1>}	C[6](C[6]B[4x3,5,4x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<2>,3|B<6>,4|H<1>}	H(C[6]B[4x3,5,4x6]C[6]2)	106.9030	0.000	1	106.9030	0.000	1	106.9030	0.000	1	106.8413	0.889	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	6:4:4:1:	4:4:1:1:	4:	B[5x3,5x5,21x6]-6:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HH)(NCCH)(H)	C[6](C[6]B[5x3,5x5,21x6]HN)(C[6]C[6]HH)(H)2	H(C[6]B[5x3,5x5,21x6]C[6]N)	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HH)(NCCH)(H){1|C<4>,5|B<6>,6|H<1>}	C[6](C[6]B[5x3,5x5,21x6]HN)(C[6]C[6]HH)(H)2{1|C<6>,2|H<1>,4|B<6>}	H(C[6]B[5x3,5x5,21x6]C[6]N)	105.8690	0.000	1	105.8690	0.000	1	106.8105	1.773	2	106.8413	0.889	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6]	C[6]	H	6:4:4:1:	4:4:1:1:	4:	B[5x3,5x5,21x6]-6:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HH)(NCHH)(H)	C[6](C[6]B[5x3,5x5,21x6]HN)(C[6]C[6]HH)(H)2	H(C[6]B[5x3,5x5,21x6]C[6]N)	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HH)(NCHH)(H){1|C<4>,5|B<6>,6|H<1>}	C[6](C[6]B[5x3,5x5,21x6]HN)(C[6]C[6]HH)(H)2{1|C<6>,2|H<1>,4|B<6>}	H(C[6]B[5x3,5x5,21x6]C[6]N)	107.7520	0.000	1	107.7520	0.000	1	106.8105	1.773	2	106.8413	0.889	3	109.1242	1.278	341572	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6x6]	C[4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[5x6]-4:C[6x6]-4:H-1:	C[6x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[6x6]-4:	C[6x6](C[4x6]C[3x6]C[6,6]H)(C[5x6]C[5x6]C[6,6]H)(C[6x6]C[4x6]C[5x6]H)(H)	C[4x6](C[6x6]C[5x6]C[6x6]H)(C[3x6]C[5x6]BrH)(C[6,6]C[6,6]HH)(H)	H(C[6x6]C[4x6]C[5x6]C[6x6])	C[6x6](C[4x6]C[3x6]C[6,6]H)(C[5x6]C[5x6]C[6,6]H)(C[6x6]C[4x6]C[5x6]H)(H){1|Br<1>,4|C<4>,8|H<1>}	C[4x6](C[6x6]C[5x6]C[6x6]H)(C[3x6]C[5x6]BrH)(C[6,6]C[6,6]HH)(H){4|C<4>,5|H<1>}	H(C[6x6]C[4x6]C[5x6]C[6x6])	110.6235	0.122	2	110.6235	0.015	2	110.6235	0.015	2	110.6235	0.015	2	110.6235	0.015	2	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6x6]	C[5x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[5x6]-4:C[6x6]-4:H-1:	C[5x6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[6x6]-4:	C[6x6](C[4x6]C[3x6]C[6,6]H)(C[5x6]C[5x6]C[6,6]H)(C[6x6]C[4x6]C[5x6]H)(H)	C[5x6](C[5x6]C[3x6]C[5x6]H)(C[6x6]C[4x6]C[6x6]H)(C[6,6]C[6,6]HH)(H)	H(C[6x6]C[4x6]C[5x6]C[6x6])	C[6x6](C[4x6]C[3x6]C[6,6]H)(C[5x6]C[5x6]C[6,6]H)(C[6x6]C[4x6]C[5x6]H)(H){1|Br<1>,4|C<4>,8|H<1>}	C[5x6](C[5x6]C[3x6]C[5x6]H)(C[6x6]C[4x6]C[6x6]H)(C[6,6]C[6,6]HH)(H){1|Br<1>,4|C<4>,6|H<1>}	H(C[6x6]C[4x6]C[5x6]C[6x6])	110.6295	0.069	2	110.6295	0.005	2	110.6295	0.005	2	110.6295	0.005	2	110.6295	0.005	2	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6x6]	C[6,6]	H	4:4:4:1:	4:3:2:2:	4:	C[4,5x6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[6x6]-4:C[6,6]-3:O-2:O-2:	C[6x6]-4:	C[6x6](C[4,5x6]C[4,4,3x6]C[4,3x6]C)(C[6x6]C[4,5x6]C[6,6]H)(C[6,6]C[6,6]OO)(H)	C[6,6](C[6x6]C[4,5x6]C[6x6]H)(C[6,6]C[4,3x6]O)(OC)2	H(C[6x6]C[4,5x6]C[6,6]C[6x6])	C[6x6](C[4,5x6]C[4,4,3x6]C[4,3x6]C)(C[6x6]C[4,5x6]C[6,6]H)(C[6,6]C[6,6]OO)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6x6]C[4,5x6]C[6x6]H)(C[6,6]C[4,3x6]O)(OC)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6x6]C[4,5x6]C[6,6]C[6x6])	109.9570	0.679	2	109.9570	0.461	2	109.9570	0.461	2	109.9570	0.461	2	109.9570	0.461	2	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6x6]	C[6x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5x6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[4,5x6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[6x6]-4:	C[6x6](C[4,5x6]C[4,4,3x6]C[4,3x6]C)(C[6x6]C[4,5x6]C[6,6]H)(C[6,6]C[6,6]OO)(H)	C[6x6](C[4,5x6]C[4,4,3x6]C[4,3x6]C)(C[6x6]C[4,5x6]C[6,6]H)(C[6,6]C[6,6]OO)(H)	H(C[6x6]C[4,5x6]C[6,6]C[6x6])	C[6x6](C[4,5x6]C[4,4,3x6]C[4,3x6]C)(C[6x6]C[4,5x6]C[6,6]H)(C[6,6]C[6,6]OO)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6x6](C[4,5x6]C[4,4,3x6]C[4,3x6]C)(C[6x6]C[4,5x6]C[6,6]H)(C[6,6]C[6,6]OO)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6x6]C[4,5x6]C[6,6]C[6x6])	109.9325	0.562	2	109.9325	0.316	2	109.9325	0.316	2	110.2815	0.268	4	108.7953	1.603	16	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6x6]	C[6x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[5x6]-4:C[6x6]-4:H-1:	C[4x6]-4:C[5x6]-4:C[6x6]-4:H-1:	C[6x6]-4:	C[6x6](C[4x6]C[3x6]C[6,6]H)(C[5x6]C[5x6]C[6,6]H)(C[6x6]C[4x6]C[5x6]H)(H)	C[6x6](C[4x6]C[3x6]C[6,6]H)(C[5x6]C[5x6]C[6,6]H)(C[6x6]C[4x6]C[5x6]H)(H)	H(C[6x6]C[4x6]C[5x6]C[6x6])	C[6x6](C[4x6]C[3x6]C[6,6]H)(C[5x6]C[5x6]C[6,6]H)(C[6x6]C[4x6]C[5x6]H)(H){1|Br<1>,4|C<4>,8|H<1>}	C[6x6](C[4x6]C[3x6]C[6,6]H)(C[5x6]C[5x6]C[6,6]H)(C[6x6]C[4x6]C[5x6]H)(H){1|Br<1>,4|C<4>,8|H<1>}	H(C[6x6]C[4x6]C[5x6]C[6x6])	110.6305	0.008	2	110.6305	0.000	2	110.6305	0.000	2	110.2815	0.268	4	108.7953	1.603	16	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6x6]	C[6x6]	H	4:4:4:1:	4:4:4:4:	4:	C[6x6]-4:C[6x6]-4:C[6x6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6x6]-4:C[6x6]-4:	C[6x6]-4:	C[6x6](C[6x6]C[6,6]2C[6x6])3(H)	C[6x6](C[6,6]C[3x6]HH)2(C[6x6]C[6x6]2H)(C[6x6]C[6x6]2O)	H(C[6x6]C[6x6]3)	C[6x6](C[6x6]C[6,6]2C[6x6])3(H){14|H<1>,1|O<2>,6|C<4>}	C[6x6](C[6,6]C[3x6]HH)2(C[6x6]C[6x6]2H)(C[6x6]C[6x6]2O){10|C<4>,2|H<1>}	H(C[6x6]C[6x6]3)	107.1705	0.342	2	107.1705	0.117	2	108.2999	1.042	12	108.2999	1.042	12	108.7953	1.603	16	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6x6]	C[6x6]	H	4:4:4:1:	4:4:4:4:	4:	C[6x6]-4:C[6x6]-4:C[6x6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6x6]-4:C[6x6]-4:	C[6x6]-4:	C[6x6](C[6x6]C[6,6]2C[6x6])3(H)	C[6x6](C[6,6]C[3x6]HH)2(C[6x6]C[6x6]2H)2	H(C[6x6]C[6x6]3)	C[6x6](C[6x6]C[6,6]2C[6x6])3(H){14|H<1>,1|O<2>,6|C<4>}	C[6x6](C[6,6]C[3x6]HH)2(C[6x6]C[6x6]2H)2{10|C<4>,2|H<1>}	H(C[6x6]C[6x6]3)	108.8280	0.623	3	108.5258	0.921	10	108.2999	1.042	12	108.2999	1.042	12	108.7953	1.603	16	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6x6]	C[6x6]	H	4:4:4:1:	4:4:4:4:	4:	C[6x6]-4:C[6x6]-4:C[6x6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6x6]-4:C[6x6]-4:	C[6x6]-4:	C[6x6](C[6x6]C[6,6]2C[6x6])3(H)	C[6x6](C[6,6]C[3x6]HH)2(C[6x6]C[6x6]2H)2	H(C[6x6]C[6x6]3)	C[6x6](C[6x6]C[6,6]2C[6x6])3(H){15|H<1>,6|C<4>}	C[6x6](C[6,6]C[3x6]HH)2(C[6x6]C[6x6]2H)2{10|C<4>,1|H<1>,1|P<4>}	H(C[6x6]C[6x6]3)	108.3203	1.372	3	108.5258	0.921	10	108.2999	1.042	12	108.2999	1.042	12	108.7953	1.603	16	109.0699	1.549	439093
466	466	951	0:SP3_SP-NON_SP3	C[6x6]	C[6x6]	H	4:4:4:1:	4:4:4:4:	4:	C[6x6]-4:C[6x6]-4:C[6x6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6x6]-4:C[6x6]-4:	C[6x6]-4:	C[6x6](C[6x6]C[6,6]2C[6x6])3(H)	C[6x6](C[6,6]C[3x6]HH)2(C[6x6]C[6x6]2H)2	H(C[6x6]C[6x6]3)	C[6x6](C[6x6]C[6,6]2C[6x6])3(H){15|H<1>,6|C<4>}	C[6x6](C[6,6]C[3x6]HH)2(C[6x6]C[6x6]2H)2{10|C<4>,2|H<1>}	H(C[6x6]C[6x6]3)	108.4532	1.052	4	108.5258	0.921	10	108.2999	1.042	12	108.2999	1.042	12	108.7953	1.603	16	109.0699	1.549	439093